smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c2c1OC(C)(C)C=C2 ZINC000000538127 291286714 /nfs/dbraw/zinc/28/67/14/291286714.db2.gz DCTLJGWMHPGCOS-UHFFFAOYSA-N 0 0 404.462 5.564 50 0 aggregator,biogenic,in-vitro HKAARN O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000000592419 291298652 /nfs/dbraw/zinc/29/86/52/291298652.db2.gz MNDBXUUTURYVHR-UHFFFAOYSA-N 0 0 403.212 5.031 50 0 fda HKAARN COc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1OC ZINC000000593173 132228725 /nfs/dbraw/zinc/22/87/25/132228725.db2.gz GCYHUCBLFAFASO-LAUBAEHRSA-N 0 0 402.494 5.296 50 0 HKAARN Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 ZINC000000598829 557728057 /nfs/dbraw/zinc/72/80/57/557728057.db2.gz WUZYKBABMWJHDL-UHFFFAOYSA-N 0 0 415.968 5.635 50 0 world HKAARN CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000000599598 557018667 /nfs/dbraw/zinc/01/86/67/557018667.db2.gz JRTIDHTUMYMPRU-UHFFFAOYSA-N 0 0 404.341 5.499 50 0 world HKAARN Cc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc32)cc1Br ZINC000000603071 557019052 /nfs/dbraw/zinc/01/90/52/557019052.db2.gz GXWKSXUPEFVUOO-UHFFFAOYSA-N 0 0 405.299 5.430 50 0 HKAARN Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000000607934 557019176 /nfs/dbraw/zinc/01/91/76/557019176.db2.gz MPIPASJGOJYODL-GOSISDBHSA-N 0 0 416.135 6.455 50 0 world HKAARN Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000607971 557019035 /nfs/dbraw/zinc/01/90/35/557019035.db2.gz BYBLEWFAAKGYCD-GOSISDBHSA-N 0 0 416.135 6.455 50 0 aggregator,fda HKAARN CC(C)CCC(=O)C[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000000608013 568431603 /nfs/dbraw/zinc/43/16/03/568431603.db2.gz HIUPRQPBWVEQJJ-IBGZPJMESA-N 0 0 407.901 5.380 50 0 investigational HKAARN Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1 ZINC000000608225 568431535 /nfs/dbraw/zinc/43/15/35/568431535.db2.gz IJTPLVAAROHGGB-UHFFFAOYSA-N 0 0 421.088 5.287 50 0 in-man HKAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc2ccccc2c1 ZINC000000622096 557019353 /nfs/dbraw/zinc/01/93/53/557019353.db2.gz QEYHEUMEOZGGCU-UHFFFAOYSA-N 0 0 404.849 5.350 50 0 HKAARN COc1ccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1F ZINC000000622164 557019414 /nfs/dbraw/zinc/01/94/14/557019414.db2.gz WLGZFJBFLORGLA-UHFFFAOYSA-N 0 0 418.420 5.178 50 0 HKAARN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000622402 557019698 /nfs/dbraw/zinc/01/96/98/557019698.db2.gz RRNKEAKOYVNWBQ-ZHACJKMWSA-N 0 0 420.461 5.111 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000622444 557019621 /nfs/dbraw/zinc/01/96/21/557019621.db2.gz KIXHQAIYPSJNIV-UHFFFAOYSA-N 0 0 401.890 5.155 50 0 HKAARN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)c(Br)c(OC)c1OC ZINC000000622491 557019659 /nfs/dbraw/zinc/01/96/59/557019659.db2.gz VZBQOMHRZHIQLB-UHFFFAOYSA-N 0 0 422.319 5.159 50 0 HKAARN CC1(C)Cc2nc3sc(C(=O)c4ccc(Cl)cc4Cl)c(N)c3cc2C(=O)C1 ZINC000000622693 557020025 /nfs/dbraw/zinc/02/00/25/557020025.db2.gz MZRNCMBMLYGTND-UHFFFAOYSA-N 0 0 419.333 5.571 50 0 HKAARN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccc(F)cc1 ZINC000000622808 557019971 /nfs/dbraw/zinc/01/99/71/557019971.db2.gz CPZPSRJQUYZGLI-UHFFFAOYSA-N 0 0 413.257 5.113 50 0 HKAARN CC(C)c1cccc(C(C)C)c1OS(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000000622810 557020062 /nfs/dbraw/zinc/02/00/62/557020062.db2.gz WNMLNGQJJNLMOO-UHFFFAOYSA-N 0 0 402.600 7.217 50 0 HKAARN O=C(Cn1nc(-c2cccc(Br)c2)oc1=S)c1ccc(Cl)cc1 ZINC000000622811 557019967 /nfs/dbraw/zinc/01/99/67/557019967.db2.gz TVPVTDMIOUDVRW-UHFFFAOYSA-N 0 0 409.692 5.171 50 0 HKAARN O=C(Cn1nc(-c2ccc(Br)cc2)oc1=S)c1ccc(Cl)cc1 ZINC000000622816 557020035 /nfs/dbraw/zinc/02/00/35/557020035.db2.gz FAMZBPFXJHDFLE-UHFFFAOYSA-N 0 0 409.692 5.171 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(C(C)C)cc3)c(=S)o2)c1 ZINC000000622842 557020057 /nfs/dbraw/zinc/02/00/57/557020057.db2.gz GKBUYEWYRDSMPT-UHFFFAOYSA-N 0 0 424.566 6.223 50 0 HKAARN O=C(Cc1ccc(Br)cc1)Nn1c(=S)scc1-c1ccccc1 ZINC000000622913 557020000 /nfs/dbraw/zinc/02/00/00/557020000.db2.gz YNQFJILKIZZPSL-UHFFFAOYSA-N 0 0 405.342 5.021 50 0 HKAARN O=C(CSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000623147 557020400 /nfs/dbraw/zinc/02/04/00/557020400.db2.gz UIHNAVCRKSKFSO-UHFFFAOYSA-N 0 0 406.894 5.353 50 0 HKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000623161 557020336 /nfs/dbraw/zinc/02/03/36/557020336.db2.gz HUQTUXFMKJKMMT-UHFFFAOYSA-N 0 0 406.894 5.014 50 0 HKAARN COc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 ZINC000000623189 557020261 /nfs/dbraw/zinc/02/02/61/557020261.db2.gz MIWQVTLSYWHJOA-UHFFFAOYSA-N 0 0 422.326 5.577 50 0 HKAARN O=c1oc2ccccc2cc1-c1cn(-c2c(Cl)cc(Cl)cc2Cl)c(=S)[nH]1 ZINC000000623208 557020319 /nfs/dbraw/zinc/02/03/19/557020319.db2.gz MKXPDIIBJOJMQO-UHFFFAOYSA-N 0 0 423.708 6.268 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000000623341 132228994 /nfs/dbraw/zinc/22/89/94/132228994.db2.gz LMOWQMGYXKHRRK-UHFFFAOYSA-N 0 0 419.230 5.101 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1sc2cc(OC(=O)c3ccco3)ccc2c1Cl ZINC000000623515 557020385 /nfs/dbraw/zinc/02/03/85/557020385.db2.gz BLKODGYTNJBIHK-UHFFFAOYSA-N 0 0 415.829 5.758 50 0 HKAARN Cc1cc2sc(NC(=O)COc3ccc(Br)cc3)nc2cc1Cl ZINC000000623543 557020331 /nfs/dbraw/zinc/02/03/31/557020331.db2.gz PRMCYDPYWYHFPS-UHFFFAOYSA-N 0 0 411.708 5.038 50 0 HKAARN Cc1cccn2c(NC(=O)c3ccc(Br)cc3)c(-c3ccccc3)nc12 ZINC000000623598 557020406 /nfs/dbraw/zinc/02/04/06/557020406.db2.gz UHBBLKGTEXKTCF-UHFFFAOYSA-N 0 0 406.283 5.325 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(Cl)c3)cc21 ZINC000000623640 568455669 /nfs/dbraw/zinc/45/56/69/568455669.db2.gz KOGDEMSPZVVTJS-UHFFFAOYSA-N 0 0 409.663 5.523 50 0 HKAARN CCOC(=O)c1c2cc(OC(=O)CC)c(Br)cc2oc1-c1ccccc1 ZINC000000623665 568455764 /nfs/dbraw/zinc/45/57/64/568455764.db2.gz ZUSYXZGSBRXUTI-UHFFFAOYSA-N 0 0 417.255 5.354 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1ccc(Br)cc1 ZINC000000623680 557020655 /nfs/dbraw/zinc/02/06/55/557020655.db2.gz HSKGEZNOUJCIIX-UHFFFAOYSA-N 0 0 406.283 5.325 50 0 HKAARN Cc1oc2cc(Br)c(OCc3ccccc3)cc2c1C(=O)OC(C)C ZINC000000623687 568455768 /nfs/dbraw/zinc/45/57/68/568455768.db2.gz LRNITHGYCJFJOK-UHFFFAOYSA-N 0 0 403.272 5.648 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(Cl)cc3)cc21 ZINC000000623764 568455667 /nfs/dbraw/zinc/45/56/67/568455667.db2.gz VYQREPZVULCTAN-UHFFFAOYSA-N 0 0 423.690 5.913 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3cc(C)ccc3C)cc21 ZINC000000623766 568455689 /nfs/dbraw/zinc/45/56/89/568455689.db2.gz LJNLWTYNLULMAJ-UHFFFAOYSA-N 0 0 417.299 5.876 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1OC ZINC000000623769 557020560 /nfs/dbraw/zinc/02/05/60/557020560.db2.gz KGSGJMRKSXPOJP-UHFFFAOYSA-N 0 0 415.898 5.506 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3Cl)cc21 ZINC000000623816 568455660 /nfs/dbraw/zinc/45/56/60/568455660.db2.gz VCWIHTZTLMCQDE-UHFFFAOYSA-N 0 0 423.690 5.913 50 0 HKAARN Cc1oc2cc(Br)c(OCc3ccccc3F)cc2c1C(=O)OC(C)C ZINC000000623826 568455752 /nfs/dbraw/zinc/45/57/52/568455752.db2.gz BFHSMDAWBAWEAU-UHFFFAOYSA-N 0 0 421.262 5.787 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(Cl)c3)cc21 ZINC000000623828 568455719 /nfs/dbraw/zinc/45/57/19/568455719.db2.gz BHXREHHBPZPZMG-UHFFFAOYSA-N 0 0 423.690 5.913 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(Cl)cc3)cc21 ZINC000000623830 568455682 /nfs/dbraw/zinc/45/56/82/568455682.db2.gz OZZYKXULDOAMFK-UHFFFAOYSA-N 0 0 409.663 5.523 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(C)cc3)cc21 ZINC000000623883 568455725 /nfs/dbraw/zinc/45/57/25/568455725.db2.gz VBZJYMVIOUBGOC-UHFFFAOYSA-N 0 0 403.272 5.568 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3cc(C)ccc3C)cc21 ZINC000000623892 568455721 /nfs/dbraw/zinc/45/57/21/568455721.db2.gz FQYUHDNVHFKREO-UHFFFAOYSA-N 0 0 403.272 5.486 50 0 HKAARN Cc1oc2ccc(OCc3cccc(Br)c3)cc2c1C(=O)OC(C)C ZINC000000623897 568455727 /nfs/dbraw/zinc/45/57/27/568455727.db2.gz NTQIJQYFXAEIHS-UHFFFAOYSA-N 0 0 403.272 5.648 50 0 HKAARN Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000623910 557020590 /nfs/dbraw/zinc/02/05/90/557020590.db2.gz VOWBNOKABSKXTM-UHFFFAOYSA-N 0 0 423.948 5.513 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3F)cc21 ZINC000000623921 568455747 /nfs/dbraw/zinc/45/57/47/568455747.db2.gz GNMVHPCGTAHHPK-UHFFFAOYSA-N 0 0 407.235 5.399 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(F)c3)cc21 ZINC000000623931 557020539 /nfs/dbraw/zinc/02/05/39/557020539.db2.gz IVSPLSLJGFJLAM-UHFFFAOYSA-N 0 0 407.235 5.399 50 0 HKAARN Cc1oc2ccc(OCc3ccccc3Br)cc2c1C(=O)OC(C)C ZINC000000623939 568455711 /nfs/dbraw/zinc/45/57/11/568455711.db2.gz SIWYUHZVPXWSCO-UHFFFAOYSA-N 0 0 403.272 5.648 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(F)cc3)cc21 ZINC000000623943 568455716 /nfs/dbraw/zinc/45/57/16/568455716.db2.gz TUROMKQCEKESPT-UHFFFAOYSA-N 0 0 407.235 5.399 50 0 HKAARN Cc1oc2cc(Br)c(OCC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C ZINC000000623944 557020611 /nfs/dbraw/zinc/02/06/11/557020611.db2.gz OZXBJEWGALTNBA-UHFFFAOYSA-N 0 0 411.292 5.063 50 0 HKAARN Cc1oc2cc(Br)c(OC(=O)c3ccccc3)cc2c1C(=O)OC(C)C ZINC000000623946 568455663 /nfs/dbraw/zinc/45/56/63/568455663.db2.gz SLORCQIPTHMWHS-UHFFFAOYSA-N 0 0 417.255 5.288 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(Cl)cc3)cc21 ZINC000000623951 568455697 /nfs/dbraw/zinc/45/56/97/568455697.db2.gz ROGCUTFMTNDQNY-UHFFFAOYSA-N 0 0 423.646 5.163 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3C)cc21 ZINC000000623982 568455650 /nfs/dbraw/zinc/45/56/50/568455650.db2.gz NEQSUPAJWOSROO-UHFFFAOYSA-N 0 0 403.272 5.568 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3Cl)cc21 ZINC000000623984 568455749 /nfs/dbraw/zinc/45/57/49/568455749.db2.gz NOODNGMTXWKLIR-UHFFFAOYSA-N 0 0 409.663 5.523 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1 ZINC000000624188 557020895 /nfs/dbraw/zinc/02/08/95/557020895.db2.gz SLZJGKHZBRWFON-UHFFFAOYSA-N 0 0 420.925 5.319 50 0 HKAARN COc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1C ZINC000000624251 536815946 /nfs/dbraw/zinc/81/59/46/536815946.db2.gz LOZYJXQWZQIAPO-UHFFFAOYSA-N 0 0 418.537 5.031 50 0 HKAARN COc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCc1ccccc1C ZINC000000624258 557020930 /nfs/dbraw/zinc/02/09/30/557020930.db2.gz FOFHVJFPKFJGOV-UHFFFAOYSA-N 0 0 418.537 5.789 50 0 HKAARN O[C@@H](COc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000624283 557020889 /nfs/dbraw/zinc/02/08/89/557020889.db2.gz UBWGHMGWAIGKMP-OAHLLOKOSA-N 0 0 420.723 6.195 50 0 HKAARN O[C@H](COc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000624286 557021039 /nfs/dbraw/zinc/02/10/39/557021039.db2.gz UBWGHMGWAIGKMP-HNNXBMFYSA-N 0 0 420.723 6.195 50 0 HKAARN COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000000624317 557020994 /nfs/dbraw/zinc/02/09/94/557020994.db2.gz ANHDMLKDGIXQIQ-UHFFFAOYSA-N 0 0 404.491 5.298 50 0 HKAARN CCC(=O)Nc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000000624318 557020900 /nfs/dbraw/zinc/02/09/00/557020900.db2.gz KDHHZCKCOJIXOC-UHFFFAOYSA-N 0 0 404.510 5.543 50 0 HKAARN CCC(=O)Nc1ccc(NCc2ccc(OCc3ccccc3C)c(OC)c2)cc1 ZINC000000624319 557020945 /nfs/dbraw/zinc/02/09/45/557020945.db2.gz RURTXZWHAKHAIQ-UHFFFAOYSA-N 0 0 404.510 5.543 50 0 HKAARN O=C(C[C@H](c1ccc(Cl)cc1)[C@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000624353 557021006 /nfs/dbraw/zinc/02/10/06/557021006.db2.gz JCMIWFDEJUADKS-RTBURBONSA-N 0 0 419.746 6.218 50 0 HKAARN O=C(C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000624355 557020873 /nfs/dbraw/zinc/02/08/73/557020873.db2.gz JCMIWFDEJUADKS-MOPGFXCFSA-N 0 0 419.746 6.218 50 0 HKAARN O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000624357 557020973 /nfs/dbraw/zinc/02/09/73/557020973.db2.gz JCMIWFDEJUADKS-RBUKOAKNSA-N 0 0 419.746 6.218 50 0 HKAARN O=C(C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000624360 557020906 /nfs/dbraw/zinc/02/09/06/557020906.db2.gz JCMIWFDEJUADKS-OALUTQOASA-N 0 0 419.746 6.218 50 0 HKAARN Cc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Br ZINC000000624551 568455811 /nfs/dbraw/zinc/45/58/11/568455811.db2.gz GDJLZDMWHBFOBC-UHFFFAOYSA-N 0 0 415.150 5.251 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000624742 569282293 /nfs/dbraw/zinc/28/22/93/569282293.db2.gz HMTKHULXHWCVAJ-UHFFFAOYSA-N 0 0 420.925 5.319 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 ZINC000000624766 557021561 /nfs/dbraw/zinc/02/15/61/557021561.db2.gz QKVMFPIIBMDFIN-UHFFFAOYSA-N 0 0 413.568 5.383 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 ZINC000000624769 557021521 /nfs/dbraw/zinc/02/15/21/557021521.db2.gz NWVDRXAPZBKEGX-UHFFFAOYSA-N 0 0 413.568 5.383 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2c1ccc1ccccc12 ZINC000000624970 557021536 /nfs/dbraw/zinc/02/15/36/557021536.db2.gz SMZQOZPAGSIARA-UHFFFAOYSA-N 0 0 422.278 5.263 50 0 HKAARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000000625044 569032908 /nfs/dbraw/zinc/03/29/08/569032908.db2.gz UBWXUGDQUBIEIZ-GKWROVLDSA-N 0 0 406.566 5.673 50 0 biogenic HKAARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1Cl ZINC000000625308 557021878 /nfs/dbraw/zinc/02/18/78/557021878.db2.gz BTDQVEWJBCEVGW-UHFFFAOYSA-N 0 0 407.720 5.402 50 0 HKAARN Cc1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=S ZINC000000625316 557021941 /nfs/dbraw/zinc/02/19/41/557021941.db2.gz ZYQFMWLIKVGQJQ-ISKFKSNPSA-N 0 0 423.541 5.124 50 0 HKAARN Cc1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=S ZINC000000625317 557021861 /nfs/dbraw/zinc/02/18/61/557021861.db2.gz ZYQFMWLIKVGQJQ-VWNXMTODSA-N 0 0 423.541 5.124 50 0 HKAARN Cc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=S ZINC000000625319 557021953 /nfs/dbraw/zinc/02/19/53/557021953.db2.gz ZYQFMWLIKVGQJQ-LADGPHEKSA-N 0 0 423.541 5.124 50 0 HKAARN Cc1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=S ZINC000000625320 557021956 /nfs/dbraw/zinc/02/19/56/557021956.db2.gz ZYQFMWLIKVGQJQ-UPVQGACJSA-N 0 0 423.541 5.124 50 0 HKAARN Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000000625336 557021903 /nfs/dbraw/zinc/02/19/03/557021903.db2.gz ILXPAZADFOFIPN-UHFFFAOYSA-N 0 0 423.925 6.481 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2C)c1 ZINC000000625344 557021881 /nfs/dbraw/zinc/02/18/81/557021881.db2.gz LXTPEZHGBVVXBC-UHFFFAOYSA-N 0 0 418.518 5.510 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccs1 ZINC000000625351 557021887 /nfs/dbraw/zinc/02/18/87/557021887.db2.gz OUTMCSVZFUYMNL-UHFFFAOYSA-N 0 0 411.939 5.624 50 0 HKAARN Cc1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1Sc1ccc(C)cc1 ZINC000000625359 557021884 /nfs/dbraw/zinc/02/18/84/557021884.db2.gz GZCWXNIALUHWBZ-UHFFFAOYSA-N 0 0 400.569 5.122 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000000625373 557021893 /nfs/dbraw/zinc/02/18/93/557021893.db2.gz DIPOUGVOVMZWKO-UHFFFAOYSA-N 0 0 405.910 5.563 50 0 HKAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000625404 557021858 /nfs/dbraw/zinc/02/18/58/557021858.db2.gz CFGBEESATIAGFC-UHFFFAOYSA-N 0 0 413.351 5.195 50 0 HKAARN Cc1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1Sc1ccc(Cl)cc1 ZINC000000625406 557021946 /nfs/dbraw/zinc/02/19/46/557021946.db2.gz IBLLVPHWRDWTIT-UHFFFAOYSA-N 0 0 420.987 5.467 50 0 HKAARN CSc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000000625549 557021871 /nfs/dbraw/zinc/02/18/71/557021871.db2.gz NCPDQUPOIXNFDH-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN CSc1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1SC ZINC000000625572 557021910 /nfs/dbraw/zinc/02/19/10/557021910.db2.gz FTXHWDZTYUFCKN-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000625734 557022168 /nfs/dbraw/zinc/02/21/68/557022168.db2.gz KWOLRCBBRJCMQA-UHFFFAOYSA-N 0 0 405.910 5.563 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000000625844 557022227 /nfs/dbraw/zinc/02/22/27/557022227.db2.gz JKPZQMQRYMYROM-UHFFFAOYSA-N 0 0 414.534 5.282 50 0 HKAARN CCc1cc2c(cc1OC(=O)c1ccccc1)occ(-c1nc3ccccc3n1C)c2=O ZINC000000625854 557022186 /nfs/dbraw/zinc/02/21/86/557022186.db2.gz BSEUSDBTJQBXTB-UHFFFAOYSA-N 0 0 424.456 5.128 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000000625855 557022154 /nfs/dbraw/zinc/02/21/54/557022154.db2.gz SUZUUWBYACPOHI-UHFFFAOYSA-N 0 0 405.910 5.563 50 0 HKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC000000626224 557022575 /nfs/dbraw/zinc/02/25/75/557022575.db2.gz UHBHPVOUSZECBD-UHFFFAOYSA-N 0 0 414.870 5.033 50 0 HKAARN CCOC(=O)c1c(C)nc2c(c1-c1ccc(Br)cc1)C(=O)CC(C)(C)C2 ZINC000000626227 568456018 /nfs/dbraw/zinc/45/60/18/568456018.db2.gz XMNRMQFXJZFIRG-UHFFFAOYSA-N 0 0 416.315 5.151 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000000626325 557022741 /nfs/dbraw/zinc/02/27/41/557022741.db2.gz BSBOPQNVSSVDEI-UHFFFAOYSA-N 0 0 408.310 5.391 50 0 HKAARN CCc1cc2c(cc1OC(=O)c1ccc(OC)cc1)occ(-c1nc(C)cs1)c2=O ZINC000000626460 568456014 /nfs/dbraw/zinc/45/60/14/568456014.db2.gz KVDWDARNASXWRT-UHFFFAOYSA-N 0 0 421.474 5.015 50 0 HKAARN O[C@@H](CNc1cccc(Cl)c1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626482 557022730 /nfs/dbraw/zinc/02/27/30/557022730.db2.gz FUHPNRVLZBWEGK-KRWDZBQOSA-N 0 0 419.739 6.228 50 0 HKAARN O[C@H](CNc1cccc(Cl)c1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626484 557022716 /nfs/dbraw/zinc/02/27/16/557022716.db2.gz FUHPNRVLZBWEGK-QGZVFWFLSA-N 0 0 419.739 6.228 50 0 HKAARN O[C@@H](Cn1cnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626499 557022809 /nfs/dbraw/zinc/02/28/09/557022809.db2.gz ARUSLJFAKNDVHQ-INIZCTEOSA-N 0 0 410.304 5.512 50 0 HKAARN COc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000626531 557022986 /nfs/dbraw/zinc/02/29/86/557022986.db2.gz XGSAEEFPZZZADG-KRWDZBQOSA-N 0 0 415.320 5.583 50 0 HKAARN COc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000626533 557022918 /nfs/dbraw/zinc/02/29/18/557022918.db2.gz XGSAEEFPZZZADG-QGZVFWFLSA-N 0 0 415.320 5.583 50 0 HKAARN Cc1ccc(C)c(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626549 557022976 /nfs/dbraw/zinc/02/29/76/557022976.db2.gz HDBFDQZZCOHNJJ-SFHVURJKSA-N 0 0 413.348 6.191 50 0 HKAARN Cc1ccc(C)c(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626551 557022927 /nfs/dbraw/zinc/02/29/27/557022927.db2.gz HDBFDQZZCOHNJJ-GOSISDBHSA-N 0 0 413.348 6.191 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc2nc(SC(=O)Nc3ccccc3)sc2c1 ZINC000000626618 557022913 /nfs/dbraw/zinc/02/29/13/557022913.db2.gz OAXNYSFIKQBUDL-UHFFFAOYSA-N 0 0 420.519 6.265 50 0 HKAARN CC(=O)Oc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000000626685 557022937 /nfs/dbraw/zinc/02/29/37/557022937.db2.gz IECWOJPZUQZURX-UHFFFAOYSA-N 0 0 419.047 5.026 50 0 HKAARN Cc1cc(C)cc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626741 557022882 /nfs/dbraw/zinc/02/28/82/557022882.db2.gz OIJHHYORHPFPCD-IBGZPJMESA-N 0 0 413.348 6.191 50 0 HKAARN Cc1cc(C)cc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626743 557022843 /nfs/dbraw/zinc/02/28/43/557022843.db2.gz OIJHHYORHPFPCD-LJQANCHMSA-N 0 0 413.348 6.191 50 0 HKAARN O[C@@H](CNc1ccc(Cl)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626755 557022970 /nfs/dbraw/zinc/02/29/70/557022970.db2.gz XBBUQJAZUGHFGX-KRWDZBQOSA-N 0 0 419.739 6.228 50 0 HKAARN O[C@H](CNc1ccc(Cl)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626757 557022877 /nfs/dbraw/zinc/02/28/77/557022877.db2.gz XBBUQJAZUGHFGX-QGZVFWFLSA-N 0 0 419.739 6.228 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2ccc3ccccc3c12 ZINC000000626853 557023354 /nfs/dbraw/zinc/02/33/54/557023354.db2.gz MYRRVZMHFOKVNJ-UHFFFAOYSA-N 0 0 412.272 5.807 50 0 HKAARN CCOC(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)n2ccc3ccccc3c12 ZINC000000626855 557023326 /nfs/dbraw/zinc/02/33/26/557023326.db2.gz XEYCABXIZLYOPN-UHFFFAOYSA-N 0 0 410.832 5.314 50 0 HKAARN COC(=O)[C@@H]1C=C(c2ccccc2)S[C@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000626904 568456005 /nfs/dbraw/zinc/45/60/05/568456005.db2.gz HHNRIJCKQMJWDO-UQBPGWFLSA-N 0 0 412.514 5.384 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)c1sc(N2CCCCC2)nc1N1CCCCC1 ZINC000000626952 557023206 /nfs/dbraw/zinc/02/32/06/557023206.db2.gz WWALJNHHPXFMPD-UHFFFAOYSA-N 0 0 421.035 5.565 50 0 HKAARN COc1ccccc1N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 ZINC000000626964 537068202 /nfs/dbraw/zinc/06/82/02/537068202.db2.gz FDBJJWLKTHHDMT-UHFFFAOYSA-N 0 0 419.912 5.355 50 0 HKAARN Cc1oc2cc(OCC(=O)[C@H]3CCOC(C)(C)C3)ccc2c(=O)c1Oc1ccccc1 ZINC000000627904 569060237 /nfs/dbraw/zinc/06/02/37/569060237.db2.gz QDMOEVMSDWGERN-KRWDZBQOSA-N 0 0 422.477 5.047 50 0 biogenic HKAARN Cc1oc2cc(OCC(=O)[C@@H]3CCOC(C)(C)C3)ccc2c(=O)c1Oc1ccccc1 ZINC000000627906 569060191 /nfs/dbraw/zinc/06/01/91/569060191.db2.gz QDMOEVMSDWGERN-QGZVFWFLSA-N 0 0 422.477 5.047 50 0 biogenic HKAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1 ZINC000000628004 557024060 /nfs/dbraw/zinc/02/40/60/557024060.db2.gz GCUBTZGPNOGQHX-RUZDIDTESA-N 0 0 411.530 5.314 50 0 HKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1 ZINC000000628008 557023980 /nfs/dbraw/zinc/02/39/80/557023980.db2.gz GCUBTZGPNOGQHX-VWLOTQADSA-N 0 0 411.530 5.314 50 0 HKAARN CCOc1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 ZINC000000628079 557023988 /nfs/dbraw/zinc/02/39/88/557023988.db2.gz XLFKMMNPDKWAKN-UHFFFAOYSA-N 0 0 402.446 5.871 50 0 HKAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(-c2ccccc2)cc1 ZINC000000628163 557024017 /nfs/dbraw/zinc/02/40/17/557024017.db2.gz NOYVABUXUXMMJM-UHFFFAOYSA-N 0 0 416.531 5.342 50 0 HKAARN COc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccccc4)c32)CC1 ZINC000000628229 537071956 /nfs/dbraw/zinc/07/19/56/537071956.db2.gz KHJGBZCWPJTIPV-UHFFFAOYSA-N 0 0 416.550 5.002 50 0 HKAARN CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccc(C(C)C)cc4)c32)c1 ZINC000000628352 557024410 /nfs/dbraw/zinc/02/44/10/557024410.db2.gz HKJYZKMUYDBACF-UHFFFAOYSA-N 0 0 403.507 6.232 50 0 HKAARN Cc1cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2c2ccccc12 ZINC000000628399 557024450 /nfs/dbraw/zinc/02/44/50/557024450.db2.gz YWKKEWVCOPTQFP-UHFFFAOYSA-N 0 0 417.321 5.229 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000000628432 557024335 /nfs/dbraw/zinc/02/43/35/557024335.db2.gz NJTBKCWDDYQTJT-UHFFFAOYSA-N 0 0 418.905 5.947 50 0 HKAARN COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000628438 557024439 /nfs/dbraw/zinc/02/44/39/557024439.db2.gz HXUJIGVGVYJAGZ-UHFFFAOYSA-N 0 0 414.486 5.302 50 0 in-vitro HKAARN Cc1nc2sc3c(c2c(N2CCN(c4ccc(Cl)c(Cl)c4)CC2)n1)CCC3 ZINC000000628451 132229353 /nfs/dbraw/zinc/22/93/53/132229353.db2.gz CIURZBIFJYTSRF-UHFFFAOYSA-N 0 0 419.381 5.122 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(Cl)cccc2Cl)n1)CCC3 ZINC000000628494 557024400 /nfs/dbraw/zinc/02/44/00/557024400.db2.gz QMEWJMMVDQMYDU-UHFFFAOYSA-N 0 0 424.378 5.526 50 0 HKAARN Cc1nc2sc3c(c2c(Oc2ccc(NC(=O)c4ccccc4)cc2)n1)CCC3 ZINC000000628522 557024346 /nfs/dbraw/zinc/02/43/46/557024346.db2.gz ZRNCCOIEHYSHMT-UHFFFAOYSA-N 0 0 401.491 5.533 50 0 HKAARN Cc1ccc(-c2csc3ncnc(NCCc4ccc5c(c4)OCCO5)c23)cc1C ZINC000000628570 557024424 /nfs/dbraw/zinc/02/44/24/557024424.db2.gz UZDBPIWELNFAOF-UHFFFAOYSA-N 0 0 417.534 5.401 50 0 HKAARN COC(=O)C1C(C)=Nc2nc3cc(C)c(C)cc3n2[C@@H]1c1cccc(Cl)c1Cl ZINC000000628574 557024302 /nfs/dbraw/zinc/02/43/02/557024302.db2.gz PONHDYXUIBCYPM-LJQANCHMSA-N 0 0 416.308 5.422 50 0 HKAARN COC(=O)C1C(C)=Nc2nc3cc(C)c(C)cc3n2[C@H]1c1cccc(Cl)c1Cl ZINC000000628577 557024365 /nfs/dbraw/zinc/02/43/65/557024365.db2.gz PONHDYXUIBCYPM-IBGZPJMESA-N 0 0 416.308 5.422 50 0 HKAARN COc1ccc(CCNc2ncnc3sc(C)c(-c4ccccc4)c32)cc1OC ZINC000000628586 557024444 /nfs/dbraw/zinc/02/44/44/557024444.db2.gz TXYRRFPYRGZQMI-UHFFFAOYSA-N 0 0 405.523 5.339 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1)CCC3 ZINC000000628609 557024590 /nfs/dbraw/zinc/02/45/90/557024590.db2.gz LTEOELOAMSYZLS-UHFFFAOYSA-N 0 0 407.923 5.012 50 0 HKAARN Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5F)CC4)c23)cc1 ZINC000000628627 132229362 /nfs/dbraw/zinc/22/93/62/132229362.db2.gz WKMXGNRFVJCVES-UHFFFAOYSA-N 0 0 404.514 5.132 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(NCCc2ccc3c(c2)OCCO3)n1 ZINC000000628629 557024529 /nfs/dbraw/zinc/02/45/29/557024529.db2.gz MUAJGOYPQNJXTQ-UHFFFAOYSA-N 0 0 403.507 5.093 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc4ccccc4c2)n1)CCC3 ZINC000000628732 569009432 /nfs/dbraw/zinc/00/94/32/569009432.db2.gz AAUPUCIQHNFLJA-UHFFFAOYSA-N 0 0 405.548 5.372 50 0 HKAARN Cc1cc2nnc(Sc3ncnc4sc5c(c43)CCCC5)n2c2ccccc12 ZINC000000628779 557024583 /nfs/dbraw/zinc/02/45/83/557024583.db2.gz PBURNGLQUHXHSX-UHFFFAOYSA-N 0 0 403.536 5.226 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2cc(Br)ccc2-3)cc1 ZINC000000628900 557024602 /nfs/dbraw/zinc/02/46/02/557024602.db2.gz CIKYYRTWKGULIQ-UHFFFAOYSA-N 0 0 414.324 5.130 50 0 HKAARN Cc1cccc2nc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)cn21 ZINC000000629190 557025001 /nfs/dbraw/zinc/02/50/01/557025001.db2.gz AGYVLGGXXBLBNZ-UHFFFAOYSA-N 0 0 406.283 5.325 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000000629223 557024958 /nfs/dbraw/zinc/02/49/58/557024958.db2.gz LAARKEAURNLWBU-KRWDZBQOSA-N 0 0 402.368 5.047 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000000629227 557024989 /nfs/dbraw/zinc/02/49/89/557024989.db2.gz LAARKEAURNLWBU-QGZVFWFLSA-N 0 0 402.368 5.047 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ccccc2c1 ZINC000000629275 557024943 /nfs/dbraw/zinc/02/49/43/557024943.db2.gz RTAWDVVDBLQHKK-UHFFFAOYSA-N 0 0 405.504 5.017 50 0 HKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)C1CC1 ZINC000000629360 557025236 /nfs/dbraw/zinc/02/52/36/557025236.db2.gz XZDPDAYETUPZRM-HXUWFJFHSA-N 0 0 401.462 5.028 50 0 HKAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(=O)C1CC1 ZINC000000629361 557025189 /nfs/dbraw/zinc/02/51/89/557025189.db2.gz XZDPDAYETUPZRM-FQEVSTJZSA-N 0 0 401.462 5.028 50 0 HKAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000000629362 557025205 /nfs/dbraw/zinc/02/52/05/557025205.db2.gz DBJCVBFBMUPBKF-UHFFFAOYSA-N 0 0 424.334 5.170 50 0 HKAARN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)nc12 ZINC000000629430 557025297 /nfs/dbraw/zinc/02/52/97/557025297.db2.gz KMUUMRFGYDGPTH-UHFFFAOYSA-N 0 0 419.550 5.408 50 0 HKAARN Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3)nc2c1 ZINC000000629481 557025173 /nfs/dbraw/zinc/02/51/73/557025173.db2.gz NVDIFRIRZCYJQD-UHFFFAOYSA-N 0 0 405.523 5.036 50 0 HKAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)nc12 ZINC000000629509 557025249 /nfs/dbraw/zinc/02/52/49/557025249.db2.gz SZNDKINBJPRDCP-UHFFFAOYSA-N 0 0 405.523 5.036 50 0 HKAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)nc12 ZINC000000629593 557025161 /nfs/dbraw/zinc/02/51/61/557025161.db2.gz XRADGNIMKLJGMS-UHFFFAOYSA-N 0 0 413.502 5.264 50 0 HKAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cccc5ccccc54)cc3)nc12 ZINC000000629600 557025616 /nfs/dbraw/zinc/02/56/16/557025616.db2.gz PSDAGGTXTBNVMB-UHFFFAOYSA-N 0 0 413.502 5.264 50 0 HKAARN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O ZINC000000629619 557025505 /nfs/dbraw/zinc/02/55/05/557025505.db2.gz NLRYPTKESVDRFO-UHFFFAOYSA-N 0 0 400.503 5.058 50 0 HKAARN Cc1cccc(Oc2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c1C ZINC000000629870 557025610 /nfs/dbraw/zinc/02/56/10/557025610.db2.gz FLQHVDNMQKXBLV-UHFFFAOYSA-N 0 0 422.278 5.659 50 0 HKAARN CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000000629924 557025510 /nfs/dbraw/zinc/02/55/10/557025510.db2.gz RGTQZJUAANHCFV-UHFFFAOYSA-N 0 0 415.445 5.092 50 0 HKAARN C[C@@]12C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000629966 557025583 /nfs/dbraw/zinc/02/55/83/557025583.db2.gz AWDPARDQOMRTRR-KNMGBQSGSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@]12C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000629967 557025596 /nfs/dbraw/zinc/02/55/96/557025596.db2.gz AWDPARDQOMRTRR-CNZZAIDXSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@@]12C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000629970 557025641 /nfs/dbraw/zinc/02/56/41/557025641.db2.gz AWDPARDQOMRTRR-JWVISUDPSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@]12C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000629971 525342017 /nfs/dbraw/zinc/34/20/17/525342017.db2.gz AWDPARDQOMRTRR-RVKJJEMLSA-N 0 0 415.492 5.627 50 0 HKAARN Cc1ccc([C@H](Sc2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630079 557025881 /nfs/dbraw/zinc/02/58/81/557025881.db2.gz WDHFAGNQZSUSBQ-ZCYQVOJMSA-N 0 0 413.546 5.619 50 0 HKAARN Cc1ccc([C@@H](Sc2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630082 557025719 /nfs/dbraw/zinc/02/57/19/557025719.db2.gz WDHFAGNQZSUSBQ-UKILVPOCSA-N 0 0 413.546 5.619 50 0 HKAARN Cc1ccc([C@H](Sc2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630084 557025856 /nfs/dbraw/zinc/02/58/56/557025856.db2.gz WDHFAGNQZSUSBQ-NOZRDPDXSA-N 0 0 413.546 5.619 50 0 HKAARN Cc1ccc([C@@H](Sc2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 ZINC000000630086 557025765 /nfs/dbraw/zinc/02/57/65/557025765.db2.gz WDHFAGNQZSUSBQ-ILBGXUMGSA-N 0 0 413.546 5.619 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc(-c3ccco3)cc12 ZINC000000630090 557025869 /nfs/dbraw/zinc/02/58/69/557025869.db2.gz ZXTSMBVCKVAPFC-UHFFFAOYSA-N 0 0 410.429 5.155 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc3cc(F)ccc3c12 ZINC000000630098 557025831 /nfs/dbraw/zinc/02/58/31/557025831.db2.gz HZQFRLKIUSILRL-UHFFFAOYSA-N 0 0 412.420 5.188 50 0 HKAARN O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)c(Cl)c1 ZINC000000630183 557025729 /nfs/dbraw/zinc/02/57/29/557025729.db2.gz ONPQGMYQMMQTCQ-UHFFFAOYSA-N 0 0 418.902 5.557 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)CCSc2nnc3ccc4ccccc4n32)cc1 ZINC000000630205 557026100 /nfs/dbraw/zinc/02/61/00/557026100.db2.gz UPXHJTJTOHYVBV-UHFFFAOYSA-N 0 0 404.539 5.301 50 0 HKAARN CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn32)cc(C(C)(C)C)c1 ZINC000000630210 557026181 /nfs/dbraw/zinc/02/61/81/557026181.db2.gz BGFQJPWJHZUAKS-UHFFFAOYSA-N 0 0 410.587 5.445 50 0 HKAARN Cc1oc2cc(OCC(=O)OCc3ccccc3)ccc2c(=O)c1Oc1ccccc1 ZINC000000630299 557026282 /nfs/dbraw/zinc/02/62/82/557026282.db2.gz QJUHUBAFPAESBT-UHFFFAOYSA-N 0 0 416.429 5.016 50 0 biogenic HKAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000000630317 557026092 /nfs/dbraw/zinc/02/60/92/557026092.db2.gz QCHWJGRPSGZUSQ-UHFFFAOYSA-N 0 0 401.871 5.136 50 0 HKAARN CCC(=O)Oc1cc2oc(CC)c(-c3ccc4c(c3)OCCCO4)c(=O)c2cc1CC ZINC000000630389 568456366 /nfs/dbraw/zinc/45/63/66/568456366.db2.gz UJCHFBBXQMMPCU-UHFFFAOYSA-N 0 0 422.477 5.062 50 0 biogenic HKAARN CCCc1cc2c(cc1OC(=O)CC)oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000000630392 569060209 /nfs/dbraw/zinc/06/02/09/569060209.db2.gz QQIKQFQFMCDRLW-UHFFFAOYSA-N 0 0 408.450 5.019 50 0 biogenic HKAARN CCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1cc3ccccc3o1)c2=O ZINC000000630470 569060235 /nfs/dbraw/zinc/06/02/35/569060235.db2.gz GPBQTKDSISUOPC-HNNXBMFYSA-N 0 0 420.461 5.489 50 0 biogenic HKAARN CCCc1cc2c(cc1O[C@H](C)C(=O)OCC)occ(-c1cc3ccccc3o1)c2=O ZINC000000630472 569060217 /nfs/dbraw/zinc/06/02/17/569060217.db2.gz GPBQTKDSISUOPC-OAHLLOKOSA-N 0 0 420.461 5.489 50 0 biogenic HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000000630668 132229408 /nfs/dbraw/zinc/22/94/08/132229408.db2.gz ACCOSPAJIRPKGH-DEOSSOPVSA-N 0 0 407.897 5.344 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(c1ccc(C)cc1)C(=O)C2 ZINC000000630670 132229319 /nfs/dbraw/zinc/22/93/19/132229319.db2.gz ACCOSPAJIRPKGH-XMMPIXPASA-N 0 0 407.897 5.344 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1Cl ZINC000000631077 557026358 /nfs/dbraw/zinc/02/63/58/557026358.db2.gz ZKMIAXPXOHKLGW-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000631086 557026663 /nfs/dbraw/zinc/02/66/63/557026663.db2.gz FWLKUNWTBUQHRJ-UHFFFAOYSA-N 0 0 421.230 5.776 50 0 HKAARN Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)c(Cl)c1 ZINC000000631153 569032868 /nfs/dbraw/zinc/03/28/68/569032868.db2.gz PFEBECOQZUQRBX-CVEARBPZSA-N 0 0 424.129 5.494 50 0 HKAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)c(Cl)c1 ZINC000000631154 569032874 /nfs/dbraw/zinc/03/28/74/569032874.db2.gz PFEBECOQZUQRBX-HOTGVXAUSA-N 0 0 424.129 5.494 50 0 HKAARN Clc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)c(Cl)c1 ZINC000000631157 569032824 /nfs/dbraw/zinc/03/28/24/569032824.db2.gz PFEBECOQZUQRBX-HZPDHXFCSA-N 0 0 424.129 5.494 50 0 HKAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)c(Cl)c1 ZINC000000631158 569032834 /nfs/dbraw/zinc/03/28/34/569032834.db2.gz PFEBECOQZUQRBX-JKSUJKDBSA-N 0 0 424.129 5.494 50 0 HKAARN O=C(CSc1ccc2ccccc2n1)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC000000631384 568456407 /nfs/dbraw/zinc/45/64/07/568456407.db2.gz OPYZYAQYGUFMMP-UHFFFAOYSA-N 0 0 421.497 5.013 50 0 HKAARN O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1cccs1 ZINC000000631738 557027025 /nfs/dbraw/zinc/02/70/25/557027025.db2.gz UBBWZAHVHMTJEI-SFHVURJKSA-N 0 0 405.306 5.106 50 0 HKAARN O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1cccs1 ZINC000000631739 557027068 /nfs/dbraw/zinc/02/70/68/557027068.db2.gz UBBWZAHVHMTJEI-GOSISDBHSA-N 0 0 405.306 5.106 50 0 HKAARN S=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N1CCOCC1 ZINC000000632008 557027061 /nfs/dbraw/zinc/02/70/61/557027061.db2.gz JJODEIUYYRYWCX-UHFFFAOYSA-N 0 0 405.350 5.004 50 0 HKAARN COc1ccc(CCNc2nc(C)nc3sc(-c4ccccc4)cc32)cc1OC ZINC000000632107 557027381 /nfs/dbraw/zinc/02/73/81/557027381.db2.gz ZXZXYFNYERGDJD-UHFFFAOYSA-N 0 0 405.523 5.339 50 0 HKAARN Cc1sc2nc(SCC(=O)c3ccccc3F)n(-c3ccccc3)c(=O)c2c1C ZINC000000632115 557027361 /nfs/dbraw/zinc/02/73/61/557027361.db2.gz ZDMXIAXLIPDJPW-UHFFFAOYSA-N 0 0 424.522 5.178 50 0 HKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)n1Cc1ccco1 ZINC000000632136 557027257 /nfs/dbraw/zinc/02/72/57/557027257.db2.gz MICZWVRBRDJMJO-UHFFFAOYSA-N 0 0 423.563 5.215 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000000632207 557027264 /nfs/dbraw/zinc/02/72/64/557027264.db2.gz UAVXBZLONFHMJJ-NHCUHLMSSA-N 0 0 418.909 5.206 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000000632208 557027270 /nfs/dbraw/zinc/02/72/70/557027270.db2.gz UAVXBZLONFHMJJ-RTWAWAEBSA-N 0 0 418.909 5.206 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000000632211 557027373 /nfs/dbraw/zinc/02/73/73/557027373.db2.gz UAVXBZLONFHMJJ-LEWJYISDSA-N 0 0 418.909 5.206 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000000632215 557027216 /nfs/dbraw/zinc/02/72/16/557027216.db2.gz UAVXBZLONFHMJJ-SFTDATJTSA-N 0 0 418.909 5.206 50 0 HKAARN CC(=O)N(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1cccc2ccccc21 ZINC000000632335 557027610 /nfs/dbraw/zinc/02/76/10/557027610.db2.gz MJAAHPJRUORIHK-UHFFFAOYSA-N 0 0 422.553 7.025 50 0 HKAARN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC ZINC000000632398 557027607 /nfs/dbraw/zinc/02/76/07/557027607.db2.gz RXBPNTIXMWFHML-UHFFFAOYSA-N 0 0 405.075 5.025 50 0 HKAARN c1ccc2[nH]c(SCc3cccc(CSc4nc5ccccc5[nH]4)n3)nc2c1 ZINC000000632400 557027590 /nfs/dbraw/zinc/02/75/90/557027590.db2.gz TYMDRIURLRAWCF-UHFFFAOYSA-N 0 0 403.536 5.419 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccccc2)c2n(Cc3ccccc3)c3ccccc3n12 ZINC000000632545 557027672 /nfs/dbraw/zinc/02/76/72/557027672.db2.gz ZRHRVFSOFQJLEH-UHFFFAOYSA-N 0 0 422.484 5.350 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2ccc3ccccc3c12 ZINC000000632559 557027678 /nfs/dbraw/zinc/02/76/78/557027678.db2.gz QZRLZMVTKYXJNM-UHFFFAOYSA-N 0 0 422.278 5.263 50 0 HKAARN O=C(Oc1ccccc1-c1nc2ccccc2o1)c1cc(F)c(Cl)nc1Cl ZINC000000632654 557027682 /nfs/dbraw/zinc/02/76/82/557027682.db2.gz XTLGAUARRZWTCE-UHFFFAOYSA-N 0 0 403.196 5.555 50 0 HKAARN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000632718 557027657 /nfs/dbraw/zinc/02/76/57/557027657.db2.gz GOPXJAPMZFTYGJ-KRWDZBQOSA-N 0 0 401.897 5.684 50 0 HKAARN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000632721 557027663 /nfs/dbraw/zinc/02/76/63/557027663.db2.gz GOPXJAPMZFTYGJ-QGZVFWFLSA-N 0 0 401.897 5.684 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn32)cc1 ZINC000000632763 557027652 /nfs/dbraw/zinc/02/76/52/557027652.db2.gz JJGHEBOAZQHSGT-UHFFFAOYSA-N 0 0 410.808 5.104 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)CSc1ccc(Br)cc1 ZINC000000632774 568456514 /nfs/dbraw/zinc/45/65/14/568456514.db2.gz SINNZHLGDOKFRV-UHFFFAOYSA-N 0 0 415.150 5.251 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)c1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000000632919 557027578 /nfs/dbraw/zinc/02/75/78/557027578.db2.gz OTDKIMQQTVAJRM-JTQLQIEISA-N 0 0 408.380 5.151 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)c1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000000632922 557027993 /nfs/dbraw/zinc/02/79/93/557027993.db2.gz OTDKIMQQTVAJRM-SNVBAGLBSA-N 0 0 408.380 5.151 50 0 HKAARN CCOc1ccc(C2=CSc3nc(-c4ccccc4)c(Br)n3N2)cc1 ZINC000000632923 569032851 /nfs/dbraw/zinc/03/28/51/569032851.db2.gz IOXJRWYXNVWXNL-UHFFFAOYSA-N 0 0 414.328 5.359 50 0 HKAARN COc1ccc(C2=CSc3nc(-c4ccc(C)cc4)c(Br)n3N2)cc1 ZINC000000632934 557027944 /nfs/dbraw/zinc/02/79/44/557027944.db2.gz CKTXBSHWUNCMST-UHFFFAOYSA-N 0 0 414.328 5.277 50 0 HKAARN COc1ccc(C2=CSc3nc(-c4cccc(C)c4)c(Br)n3N2)cc1 ZINC000000632939 557027935 /nfs/dbraw/zinc/02/79/35/557027935.db2.gz KVPNBSNKXIGVKP-UHFFFAOYSA-N 0 0 414.328 5.277 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000632989 557027960 /nfs/dbraw/zinc/02/79/60/557027960.db2.gz VLPQNNDFZJWMHS-UHFFFAOYSA-N 0 0 408.288 6.098 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000632999 557027950 /nfs/dbraw/zinc/02/79/50/557027950.db2.gz IHKPEQJZSAQMJS-UHFFFAOYSA-N 0 0 407.395 5.810 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000633001 557027963 /nfs/dbraw/zinc/02/79/63/557027963.db2.gz GBFGUADYCDQQAK-UHFFFAOYSA-N 0 0 407.395 5.810 50 0 HKAARN CN(Cc1cccc2ccccc21)C(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000633083 557027911 /nfs/dbraw/zinc/02/79/11/557027911.db2.gz KEPBSFDYIJJFPM-UHFFFAOYSA-N 0 0 417.512 5.965 50 0 HKAARN CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1Cl ZINC000000633102 557027970 /nfs/dbraw/zinc/02/79/70/557027970.db2.gz CHMHXYIOAKYHIC-UHFFFAOYSA-N 0 0 416.308 5.163 50 0 HKAARN COc1ccc2nc3c(c(NC(=O)c4cccc(Br)c4)c2c1)CCCC3 ZINC000000633157 557028181 /nfs/dbraw/zinc/02/81/81/557028181.db2.gz AOVPJDHHYTYCRH-UHFFFAOYSA-N 0 0 411.299 5.137 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1Cl ZINC000000633192 557028271 /nfs/dbraw/zinc/02/82/71/557028271.db2.gz XRGFJSCRHOMSIU-UHFFFAOYSA-N 0 0 401.890 5.155 50 0 HKAARN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000000633195 568456544 /nfs/dbraw/zinc/45/65/44/568456544.db2.gz KOUALEPJNMWHRX-UHFFFAOYSA-N 0 0 402.288 5.191 50 0 HKAARN COc1ccc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000000633412 557028226 /nfs/dbraw/zinc/02/82/26/557028226.db2.gz NHHOMGQPNATHEV-UHFFFAOYSA-N 0 0 422.984 5.467 50 0 HKAARN COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000000633449 557028530 /nfs/dbraw/zinc/02/85/30/557028530.db2.gz SEWDYELSRITAQU-UHFFFAOYSA-N 0 0 415.946 5.304 50 0 HKAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000633643 557028481 /nfs/dbraw/zinc/02/84/81/557028481.db2.gz CSSJAAWKBBOEKV-UHFFFAOYSA-N 0 0 402.277 5.833 50 0 HKAARN CCc1c(CCCC(=O)N(Cc2ccccc2)Cc2ccccc2)nn(C)c1CC ZINC000000634459 560724892 /nfs/dbraw/zinc/72/48/92/560724892.db2.gz VFZQQCYZNCYEFU-UHFFFAOYSA-N 0 0 403.570 5.097 50 0 HKAARN COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 ZINC000000634487 557028884 /nfs/dbraw/zinc/02/88/84/557028884.db2.gz UERATCLCMHZRSU-UHFFFAOYSA-N 0 0 400.430 5.134 50 0 biogenic HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Br)cc1 ZINC000000634641 557028920 /nfs/dbraw/zinc/02/89/20/557028920.db2.gz SPTQAQVOUQHXEP-UHFFFAOYSA-N 0 0 409.642 5.457 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000000634642 557029113 /nfs/dbraw/zinc/02/91/13/557029113.db2.gz KHGACHQGJRNIGI-UHFFFAOYSA-N 0 0 422.000 5.523 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)c1cc(-c2c(O)ccc3ccccc32)[nH]n1 ZINC000000634825 557029171 /nfs/dbraw/zinc/02/91/71/557029171.db2.gz LUAYERCVLKMVPV-UHFFFAOYSA-N 0 0 413.260 5.504 50 0 HKAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 ZINC000000634998 557029198 /nfs/dbraw/zinc/02/91/98/557029198.db2.gz HGXBPTMDTGHWSJ-UHFFFAOYSA-N 0 0 411.457 5.259 50 0 HKAARN CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000635350 535116988 /nfs/dbraw/zinc/11/69/88/535116988.db2.gz LVTKKCGLRCIEDG-QHCPKHFHSA-N 0 0 400.478 5.484 50 0 HKAARN CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000635352 535117652 /nfs/dbraw/zinc/11/76/52/535117652.db2.gz LVTKKCGLRCIEDG-HSZRJFAPSA-N 0 0 400.478 5.484 50 0 HKAARN Cc1c(OCc2ccccc2)ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc12 ZINC000000635989 557029376 /nfs/dbraw/zinc/02/93/76/557029376.db2.gz ZBHFIYKODWLZAX-UHFFFAOYSA-N 0 0 424.456 5.658 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000000636219 557029442 /nfs/dbraw/zinc/02/94/42/557029442.db2.gz JPZHKTDOUMSRTO-INIZCTEOSA-N 0 0 406.869 5.124 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000000636222 557029570 /nfs/dbraw/zinc/02/95/70/557029570.db2.gz JPZHKTDOUMSRTO-MRXNPFEDSA-N 0 0 406.869 5.124 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(F)c(F)cc1Cl ZINC000000636405 557029894 /nfs/dbraw/zinc/02/98/94/557029894.db2.gz IHRWSJNDLIMJPF-HXUWFJFHSA-N 0 0 411.839 5.208 50 0 HKAARN C[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000636412 557029718 /nfs/dbraw/zinc/02/97/18/557029718.db2.gz ZPGDWZRACXFBCH-HNNXBMFYSA-N 0 0 407.876 5.368 50 0 HKAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000636417 557029837 /nfs/dbraw/zinc/02/98/37/557029837.db2.gz ZPGDWZRACXFBCH-OAHLLOKOSA-N 0 0 407.876 5.368 50 0 HKAARN CCc1cc2c(cc1OC(=O)C(C)(C)C)oc(C)c(-c1nc3ccccc3n1C)c2=O ZINC000000636546 568456529 /nfs/dbraw/zinc/45/65/29/568456529.db2.gz PDIWNXVNDHCPKA-UHFFFAOYSA-N 0 0 418.493 5.169 50 0 HKAARN O=C(CSc1nc2ccccc2n1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000636607 557029779 /nfs/dbraw/zinc/02/97/79/557029779.db2.gz JUVFCPBKTYHDRI-UHFFFAOYSA-N 0 0 406.894 5.353 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(Br)cc1 ZINC000000636697 557029867 /nfs/dbraw/zinc/02/98/67/557029867.db2.gz VRBUEOBUFOTBIT-UHFFFAOYSA-N 0 0 407.720 5.402 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(Br)cc1 ZINC000000636699 557029753 /nfs/dbraw/zinc/02/97/53/557029753.db2.gz CLOVJTUEINNKLA-UHFFFAOYSA-N 0 0 407.720 5.402 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1sc2ccccc2c1Cl ZINC000000636903 557030095 /nfs/dbraw/zinc/03/00/95/557030095.db2.gz UUYDDEQHXUZYFG-UHFFFAOYSA-N 0 0 419.358 6.508 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000000636959 557030143 /nfs/dbraw/zinc/03/01/43/557030143.db2.gz WQMQHKCZHSQEKC-UHFFFAOYSA-N 0 0 416.480 6.498 50 0 HKAARN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000636960 557030074 /nfs/dbraw/zinc/03/00/74/557030074.db2.gz SHDJQUJGDPEXFA-WMPKNSHKSA-N 0 0 422.528 5.464 50 0 HKAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000636962 557030163 /nfs/dbraw/zinc/03/01/63/557030163.db2.gz SHDJQUJGDPEXFA-CLJLJLNGSA-N 0 0 422.528 5.464 50 0 HKAARN O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000636965 557030123 /nfs/dbraw/zinc/03/01/23/557030123.db2.gz SHDJQUJGDPEXFA-UIOOFZCWSA-N 0 0 422.528 5.464 50 0 HKAARN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)cc1Cl ZINC000000637110 557030168 /nfs/dbraw/zinc/03/01/68/557030168.db2.gz YOOCZIRJOZWOJF-LLYNYRBSSA-N 0 0 419.952 5.323 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C1=O ZINC000000637112 557030157 /nfs/dbraw/zinc/03/01/57/557030157.db2.gz JKIGKXZBOSMTRZ-LLYNYRBSSA-N 0 0 419.952 5.323 50 0 HKAARN O=C(Nc1ccc(I)cc1)c1sc2ccccc2c1Cl ZINC000000637116 557030211 /nfs/dbraw/zinc/03/02/11/557030211.db2.gz CVNKGCFIDSQECS-UHFFFAOYSA-N 0 0 413.667 5.412 50 0 HKAARN COc1ccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 ZINC000000637141 569060232 /nfs/dbraw/zinc/06/02/32/569060232.db2.gz KSDLQHBETUYEGF-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN Cc1csc(-c2cc3ccc(OCc4c(F)cccc4Cl)cc3oc2=O)n1 ZINC000000637191 557030109 /nfs/dbraw/zinc/03/01/09/557030109.db2.gz PJXLMUYPSOBUNO-UHFFFAOYSA-N 0 0 401.846 5.596 50 0 HKAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(=O)n1-c1ccccc1)c1ccccc1 ZINC000000637228 557030180 /nfs/dbraw/zinc/03/01/80/557030180.db2.gz CKAIIMDNXNWHHL-UHFFFAOYSA-N 0 0 416.477 5.014 50 0 HKAARN O=C(c1ccccc1)n1c2ccccc2nc1SC[C@H](O)c1ccc(Cl)cc1 ZINC000000637314 557030152 /nfs/dbraw/zinc/03/01/52/557030152.db2.gz VIJOGUJAUQZYPP-FQEVSTJZSA-N 0 0 408.910 5.204 50 0 HKAARN O=C(c1ccccc1)n1c2ccccc2nc1SC[C@@H](O)c1ccc(Cl)cc1 ZINC000000637319 557030077 /nfs/dbraw/zinc/03/00/77/557030077.db2.gz VIJOGUJAUQZYPP-HXUWFJFHSA-N 0 0 408.910 5.204 50 0 HKAARN CC1CCN(C(=S)c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)CC1 ZINC000000637344 557030195 /nfs/dbraw/zinc/03/01/95/557030195.db2.gz GQOWIXKBMYAFOM-UHFFFAOYSA-N 0 0 412.986 5.781 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccccc3F)cc12 ZINC000000637408 569287592 /nfs/dbraw/zinc/28/75/92/569287592.db2.gz XRWHNZFCXXUILL-UHFFFAOYSA-N 0 0 422.843 5.202 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccc(F)cc3)cc12 ZINC000000637416 569287569 /nfs/dbraw/zinc/28/75/69/569287569.db2.gz YVHXOPBGODRCRX-UHFFFAOYSA-N 0 0 422.843 5.202 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3cccc(Cl)c3)cc12 ZINC000000637420 569287562 /nfs/dbraw/zinc/28/75/62/569287562.db2.gz HORTVLAKZTXPBL-UHFFFAOYSA-N 0 0 404.853 5.062 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3cccc(Cl)c3)cc12 ZINC000000637422 569287596 /nfs/dbraw/zinc/28/75/96/569287596.db2.gz DQXQQGVOYUJIDS-UHFFFAOYSA-N 0 0 422.843 5.202 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(Cl)cc3)cc12 ZINC000000637424 569287605 /nfs/dbraw/zinc/28/76/05/569287605.db2.gz PXVGHMLXYMDARL-UHFFFAOYSA-N 0 0 404.853 5.062 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc(Cl)cc3)cc12 ZINC000000637426 569287585 /nfs/dbraw/zinc/28/75/85/569287585.db2.gz CUSCAXUTBSICBS-UHFFFAOYSA-N 0 0 422.843 5.202 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2cnc(-c3cccc(Cl)c3)cc12 ZINC000000637458 569287582 /nfs/dbraw/zinc/28/75/82/569287582.db2.gz VKQQKBVOHQIWNV-UHFFFAOYSA-N 0 0 410.882 5.124 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2cnc(-c3ccc(Cl)cc3)cc12 ZINC000000637461 569287602 /nfs/dbraw/zinc/28/76/02/569287602.db2.gz QIKIILFXQKLVAM-UHFFFAOYSA-N 0 0 410.882 5.124 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cnc(-c3ccc(Cl)cc3)cc12 ZINC000000637500 569287598 /nfs/dbraw/zinc/28/75/98/569287598.db2.gz GSFQRZFDPKQZKN-UHFFFAOYSA-N 0 0 418.880 5.371 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Br ZINC000000637578 557030502 /nfs/dbraw/zinc/03/05/02/557030502.db2.gz YTMPLHYMJBRMJD-RABUFTMVSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Br ZINC000000637579 557030428 /nfs/dbraw/zinc/03/04/28/557030428.db2.gz YTMPLHYMJBRMJD-OSXLHZELSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Br ZINC000000637581 557030535 /nfs/dbraw/zinc/03/05/35/557030535.db2.gz YTMPLHYMJBRMJD-XFYPZNOGSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Br ZINC000000637582 557030517 /nfs/dbraw/zinc/03/05/17/557030517.db2.gz YTMPLHYMJBRMJD-RADKVMJMSA-N 0 0 418.334 5.931 50 0 HKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]12 ZINC000000637584 557030523 /nfs/dbraw/zinc/03/05/23/557030523.db2.gz JTQAZSMXECMIMP-NFJKTXFASA-N 0 0 417.867 5.050 50 0 HKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]12 ZINC000000637586 557030476 /nfs/dbraw/zinc/03/04/76/557030476.db2.gz JTQAZSMXECMIMP-LQDNNDEMSA-N 0 0 417.867 5.050 50 0 HKAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@@H]12 ZINC000000637587 557030496 /nfs/dbraw/zinc/03/04/96/557030496.db2.gz JTQAZSMXECMIMP-ZKKFKWFVSA-N 0 0 417.867 5.050 50 0 HKAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@@H]12 ZINC000000637589 557030601 /nfs/dbraw/zinc/03/06/01/557030601.db2.gz JTQAZSMXECMIMP-YCIYHOANSA-N 0 0 417.867 5.050 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000000637756 557030560 /nfs/dbraw/zinc/03/05/60/557030560.db2.gz FNGBRYAGRVPKBR-QZTJIDSGSA-N 0 0 421.328 5.248 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000000637759 557030769 /nfs/dbraw/zinc/03/07/69/557030769.db2.gz FNGBRYAGRVPKBR-ROUUACIJSA-N 0 0 421.328 5.248 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000637763 569287580 /nfs/dbraw/zinc/28/75/80/569287580.db2.gz DJSDFROQFMULFQ-UHFFFAOYSA-N 0 0 415.280 6.281 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccccc1C ZINC000000637789 569007675 /nfs/dbraw/zinc/00/76/75/569007675.db2.gz JSFPURNBTKXLAW-UHFFFAOYSA-N 0 0 409.507 5.226 50 0 HKAARN COc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000000637800 569007774 /nfs/dbraw/zinc/00/77/74/569007774.db2.gz CUMSHRKWYBMIKM-UHFFFAOYSA-N 0 0 414.530 5.513 50 0 HKAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 ZINC000000638166 557030864 /nfs/dbraw/zinc/03/08/64/557030864.db2.gz KIRSSMAHGLGJMW-FQEVSTJZSA-N 0 0 418.440 5.021 50 0 HKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 ZINC000000638170 557030870 /nfs/dbraw/zinc/03/08/70/557030870.db2.gz KIRSSMAHGLGJMW-HXUWFJFHSA-N 0 0 418.440 5.021 50 0 HKAARN O=C(CCn1c(COC(=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000000638508 569032920 /nfs/dbraw/zinc/03/29/20/569032920.db2.gz IVAUHAZNTIBIBB-UHFFFAOYSA-N 0 0 418.880 5.320 50 0 HKAARN O=C(N1CCC(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000000638619 132229502 /nfs/dbraw/zinc/22/95/02/132229502.db2.gz NULGAUVYLVFLMA-UHFFFAOYSA-N 0 0 400.547 6.364 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000000638973 557031224 /nfs/dbraw/zinc/03/12/24/557031224.db2.gz KQDQXAGNSLYIJL-UHFFFAOYSA-N 0 0 416.452 5.165 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000000639052 557031207 /nfs/dbraw/zinc/03/12/07/557031207.db2.gz FAOPYQJMLIDWPA-UHFFFAOYSA-N 0 0 408.457 5.984 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(C(=O)OC)o3)ccc2oc1-c1ccccc1 ZINC000000639082 557031283 /nfs/dbraw/zinc/03/12/83/557031283.db2.gz YJHZSXPTTIHLAF-UHFFFAOYSA-N 0 0 420.417 5.235 50 0 biogenic HKAARN Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)OC(C)C ZINC000000639099 568456753 /nfs/dbraw/zinc/45/67/53/568456753.db2.gz QUCLSZJOZQYZFT-UHFFFAOYSA-N 0 0 403.272 5.648 50 0 HKAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000000639132 557031279 /nfs/dbraw/zinc/03/12/79/557031279.db2.gz JEPGUWKYVNWDRZ-UHFFFAOYSA-N 0 0 410.882 5.798 50 0 HKAARN CC(C)(c1ccc(OC(=O)c2ccco2)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000639261 557031269 /nfs/dbraw/zinc/03/12/69/557031269.db2.gz KVNQKTVBUVPEDA-UHFFFAOYSA-N 0 0 416.429 5.637 50 0 HKAARN Cc1cc(=O)oc2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c12 ZINC000000639304 557031444 /nfs/dbraw/zinc/03/14/44/557031444.db2.gz PKKFSXXOPOKRFJ-UHFFFAOYSA-N 0 0 408.400 5.538 50 0 biogenic HKAARN CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)c(Br)c1 ZINC000000639338 557031420 /nfs/dbraw/zinc/03/14/20/557031420.db2.gz NULKKAPMXCTGQM-UHFFFAOYSA-N 0 0 402.332 5.469 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000000639366 557031438 /nfs/dbraw/zinc/03/14/38/557031438.db2.gz RXTUDBJYDQLRGX-UHFFFAOYSA-N 0 0 402.210 5.048 50 0 HKAARN O=C(Cn1nc(-c2ccccc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000639392 557031414 /nfs/dbraw/zinc/03/14/14/557031414.db2.gz NHCTXSIFWINMST-UHFFFAOYSA-N 0 0 413.808 5.183 50 0 HKAARN CCn1c(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)c(Cl)c2)c1=S ZINC000000639405 557031428 /nfs/dbraw/zinc/03/14/28/557031428.db2.gz XQXOVKXIXNUYDA-UHFFFAOYSA-N 0 0 400.935 5.010 50 0 HKAARN CCn1c(-c2ccc(C)cc2)nn(CC(=O)Nc2cc(Cl)ccc2Cl)c1=S ZINC000000639410 557031424 /nfs/dbraw/zinc/03/14/24/557031424.db2.gz AXWBMHFDFUHIHJ-UHFFFAOYSA-N 0 0 421.353 5.355 50 0 HKAARN Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C ZINC000000639588 557032028 /nfs/dbraw/zinc/03/20/28/557032028.db2.gz CFCQRVVJTALKIQ-IBGZPJMESA-N 0 0 413.348 6.191 50 0 HKAARN Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C ZINC000000639591 557031971 /nfs/dbraw/zinc/03/19/71/557031971.db2.gz CFCQRVVJTALKIQ-LJQANCHMSA-N 0 0 413.348 6.191 50 0 HKAARN CC(=O)Nc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000000639779 569007759 /nfs/dbraw/zinc/00/77/59/569007759.db2.gz XRMJSAOYQKSIFA-UHFFFAOYSA-N 0 0 418.063 5.059 50 0 HKAARN COc1cccc(-c2c(C(=O)OC(C)(C)C)cc(O)c3cc(OC)c(OC)cc32)c1 ZINC000000639894 557031914 /nfs/dbraw/zinc/03/19/14/557031914.db2.gz YJLIQWMNTXAYHX-UHFFFAOYSA-N 0 0 410.466 5.194 50 0 HKAARN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000000640123 557032335 /nfs/dbraw/zinc/03/23/35/557032335.db2.gz BXHHAVCQBUMWKR-UHFFFAOYSA-N 0 0 411.354 5.004 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(Br)ccc2oc1=O ZINC000000640230 569007737 /nfs/dbraw/zinc/00/77/37/569007737.db2.gz RNVWRDUQXNCMBP-UHFFFAOYSA-N 0 0 413.054 5.115 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc2cc(Br)ccc2oc1=O ZINC000000640231 557032351 /nfs/dbraw/zinc/03/23/51/557032351.db2.gz ZWQOFPXGOGOMMR-UHFFFAOYSA-N 0 0 413.054 5.115 50 0 HKAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1C ZINC000000640347 557032340 /nfs/dbraw/zinc/03/23/40/557032340.db2.gz NFYORBVFRXJSRE-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN c1ccc2[nH]c(Nc3ccc(-c4ccc(Nc5nc6ccccc6[nH]5)cc4)cc3)nc2c1 ZINC000000640468 557032370 /nfs/dbraw/zinc/03/23/70/557032370.db2.gz DMCGYLOETYXJHG-UHFFFAOYSA-N 0 0 416.488 6.593 50 0 HKAARN CC(C)(CCc1ccccn1)C(=O)C(CCc1ccccn1)CCc1ccccn1 ZINC000000640478 569012393 /nfs/dbraw/zinc/01/23/93/569012393.db2.gz JNTRDYXFEWPODU-UHFFFAOYSA-N 0 0 401.554 5.281 50 0 HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(Cl)c2cccnc12 ZINC000000640507 557032393 /nfs/dbraw/zinc/03/23/93/557032393.db2.gz CFSXQQVJDDTGFT-UHFFFAOYSA-N 0 0 402.064 6.459 50 0 HKAARN Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1NC(=O)N(C)C1CCCCC1 ZINC000000640557 569287681 /nfs/dbraw/zinc/28/76/81/569287681.db2.gz WOQIVVAVKQBONX-UHFFFAOYSA-N 0 0 400.567 5.588 50 0 HKAARN O=C(Nc1cccc2c(NC(=O)NC3CCCCC3)cccc12)NC1CCCCC1 ZINC000000640600 569012407 /nfs/dbraw/zinc/01/24/07/569012407.db2.gz XDLJSBLXGJHOMW-UHFFFAOYSA-N 0 0 408.546 5.748 50 0 HKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1 ZINC000000640622 569007762 /nfs/dbraw/zinc/00/77/62/569007762.db2.gz HITOEWKHQSLMQS-UHFFFAOYSA-N 0 0 420.557 5.313 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000000640652 557032604 /nfs/dbraw/zinc/03/26/04/557032604.db2.gz CHUJBQOLWMAIEJ-UHFFFAOYSA-N 0 0 410.857 5.232 50 0 HKAARN CCN(C(=O)Nc1ccc(C)c(NC(=O)N(CC)c2ccccc2)c1)c1ccccc1 ZINC000000640704 557032601 /nfs/dbraw/zinc/03/26/01/557032601.db2.gz UBCWEDOSRMUXOK-UHFFFAOYSA-N 0 0 416.525 6.112 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Oc1c(C)cc(Cl)cc1Br ZINC000000640832 569012372 /nfs/dbraw/zinc/01/23/72/569012372.db2.gz ZISUXVLRSQMKBK-UHFFFAOYSA-N 0 0 405.075 5.684 50 0 HKAARN COc1cc(Cl)ccc1NC(=O)Oc1c(C)cc(Cl)cc1Br ZINC000000640834 569012352 /nfs/dbraw/zinc/01/23/52/569012352.db2.gz DTAJQESOOFJOCG-UHFFFAOYSA-N 0 0 405.075 5.684 50 0 HKAARN COc1cc(OC)c(NC(=O)Oc2cc(C)c(C)cc2Br)cc1Cl ZINC000000640890 569012357 /nfs/dbraw/zinc/01/23/57/569012357.db2.gz QIFWGJYRIPCEHZ-UHFFFAOYSA-N 0 0 414.683 5.347 50 0 HKAARN COc1cc(OC)c(NC(=O)Oc2cc(C)c(Br)cc2C)cc1Cl ZINC000000640900 557032608 /nfs/dbraw/zinc/03/26/08/557032608.db2.gz XBDFEALXQJWUQD-UHFFFAOYSA-N 0 0 414.683 5.347 50 0 HKAARN CC(C)N(C(=O)Nc1cccc2c(NC(=O)N(C(C)C)C(C)C)cccc12)C(C)C ZINC000000640975 557032587 /nfs/dbraw/zinc/03/25/87/557032587.db2.gz QXACDCXWXJXUJQ-UHFFFAOYSA-N 0 0 412.578 6.141 50 0 HKAARN O=C(NCc1ccccc1)Nc1cccc2c(NC(=O)NCc3ccccc3)cccc12 ZINC000000640984 557032562 /nfs/dbraw/zinc/03/25/62/557032562.db2.gz OYWOPPDBFMFOQM-UHFFFAOYSA-N 0 0 424.504 5.483 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000000641033 557032573 /nfs/dbraw/zinc/03/25/73/557032573.db2.gz WGPAPVCWPGVNGD-UHFFFAOYSA-N 0 0 402.064 6.459 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000000641048 557032560 /nfs/dbraw/zinc/03/25/60/557032560.db2.gz HECIIZWUENNPCN-UHFFFAOYSA-N 0 0 402.064 6.459 50 0 HKAARN CCN(C(=O)c1cccc(C(=O)N(CC)c2cccc(C)c2)c1)c1cccc(C)c1 ZINC000000641099 569287702 /nfs/dbraw/zinc/28/77/02/569287702.db2.gz GIJKPPMKAYLPIC-UHFFFAOYSA-N 0 0 400.522 5.637 50 0 HKAARN COc1ccc(OC)c(NC(=O)Oc2ccc3cc(Br)ccc3c2)c1 ZINC000000641113 569012369 /nfs/dbraw/zinc/01/23/69/569012369.db2.gz ZAEIOLCHVKSSGF-UHFFFAOYSA-N 0 0 402.244 5.230 50 0 HKAARN CSc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(SC)cc3)c2)cc1 ZINC000000641131 557032580 /nfs/dbraw/zinc/03/25/80/557032580.db2.gz AWQHIWYPZHGEGO-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN CCc1cc2c(nc(SCc3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)s1 ZINC000000641136 568456784 /nfs/dbraw/zinc/45/67/84/568456784.db2.gz QQOKRVITQJKEQO-UHFFFAOYSA-N 0 0 418.547 5.178 50 0 HKAARN Cc1sc2nc(SCc3nc4ccccc4[nH]3)n(-c3ccccc3)c(=O)c2c1C ZINC000000641139 557032595 /nfs/dbraw/zinc/03/25/95/557032595.db2.gz ZOEVYBBPQYTMNW-UHFFFAOYSA-N 0 0 418.547 5.233 50 0 HKAARN Cc1cc(OC(=O)Nc2cccc(Cl)c2)c(C)cc1I ZINC000000641141 569012388 /nfs/dbraw/zinc/01/23/88/569012388.db2.gz WUNHGWWITNSXKD-UHFFFAOYSA-N 0 0 401.631 5.172 50 0 HKAARN Cc1ccc(COC(=O)Nc2ccc(C)c(NC(=O)OCc3ccc(C)cc3)c2)cc1 ZINC000000641158 569012363 /nfs/dbraw/zinc/01/23/63/569012363.db2.gz QGQJTLMFBCWPEY-UHFFFAOYSA-N 0 0 418.493 6.109 50 0 HKAARN Cc1ccc(NC(=O)Nc2cc(Br)ccc2Br)cc1Cl ZINC000000641173 558828612 /nfs/dbraw/zinc/82/86/12/558828612.db2.gz IHFCGMVUDHIEMD-UHFFFAOYSA-N 0 0 418.516 5.817 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(C)c(NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1 ZINC000000641361 557032873 /nfs/dbraw/zinc/03/28/73/557032873.db2.gz RFELLKMNUHQDCE-UHFFFAOYSA-N 0 0 416.525 6.517 50 0 HKAARN COc1cc(COC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(OC)c1OC ZINC000000641365 557032902 /nfs/dbraw/zinc/03/29/02/557032902.db2.gz FHMHMHHDDWLIEG-UHFFFAOYSA-N 0 0 401.503 5.708 50 0 HKAARN CCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2C)c1)c1ccccc1C ZINC000000641374 557032862 /nfs/dbraw/zinc/03/28/62/557032862.db2.gz UJGLFMSBIGSPEM-UHFFFAOYSA-N 0 0 400.522 5.637 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccccc1C(=O)Oc1ccccc1 ZINC000000641438 557032922 /nfs/dbraw/zinc/03/29/22/557032922.db2.gz XLKBAZLVHRFXBE-UHFFFAOYSA-N 0 0 402.233 5.824 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)Oc1ccc(Br)cc1Br ZINC000000641560 557032834 /nfs/dbraw/zinc/03/28/34/557032834.db2.gz UANNOKUDHSVWHX-UHFFFAOYSA-N 0 0 423.463 5.615 50 0 HKAARN COc1cc(OC)c(NC(=O)Oc2cc(C)c(Cl)c(C)c2Cl)cc1Cl ZINC000000641584 557032842 /nfs/dbraw/zinc/03/28/42/557032842.db2.gz WCHLXMVVLFSMLL-UHFFFAOYSA-N 0 0 404.677 5.892 50 0 HKAARN COc1cc(OC)c(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000000641596 569012360 /nfs/dbraw/zinc/01/23/60/569012360.db2.gz YKBFLMQJAUZWMT-UHFFFAOYSA-N 0 0 411.068 5.928 50 0 HKAARN O=C(Nc1cccc2ccccc21)Oc1ccc(Br)cc1Br ZINC000000641635 569012390 /nfs/dbraw/zinc/01/23/90/569012390.db2.gz TZLZWCGJPUXLRM-UHFFFAOYSA-N 0 0 421.088 5.976 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000000641766 557032847 /nfs/dbraw/zinc/03/28/47/557032847.db2.gz XEQQVFSVTCBANG-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000000641767 557032816 /nfs/dbraw/zinc/03/28/16/557032816.db2.gz MIVBKEDUHKWTHE-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN O=C(Nc1ccc(Br)c(Br)c1)Nc1cc(F)ccc1F ZINC000000641855 557032889 /nfs/dbraw/zinc/03/28/89/557032889.db2.gz COSDLHWMFNBWGL-UHFFFAOYSA-N 0 0 406.024 5.134 50 0 HKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000000642321 557033191 /nfs/dbraw/zinc/03/31/91/557033191.db2.gz KVVHSCVGPQYRPN-UHFFFAOYSA-N 0 0 421.353 5.082 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000000642345 557033184 /nfs/dbraw/zinc/03/31/84/557033184.db2.gz LZKHUDLAYHETBI-UHFFFAOYSA-N 0 0 421.353 5.137 50 0 HKAARN S=C1N=C(c2ccccc2)C[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000642385 557033171 /nfs/dbraw/zinc/03/31/71/557033171.db2.gz WLHXHQMBLNKTNU-HSZRJFAPSA-N 0 0 408.530 5.099 50 0 HKAARN S=C1N=C(c2ccccc2)C[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000642386 557033186 /nfs/dbraw/zinc/03/31/86/557033186.db2.gz WLHXHQMBLNKTNU-QHCPKHFHSA-N 0 0 408.530 5.099 50 0 HKAARN Cc1ccc(C2=NC(=S)N[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000000642449 557033196 /nfs/dbraw/zinc/03/31/96/557033196.db2.gz DTGVSGFSADPBJK-DEOSSOPVSA-N 0 0 422.557 5.408 50 0 HKAARN Cc1ccc(C2=NC(=S)N[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000000642450 557033209 /nfs/dbraw/zinc/03/32/09/557033209.db2.gz DTGVSGFSADPBJK-XMMPIXPASA-N 0 0 422.557 5.408 50 0 HKAARN O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1Cl ZINC000000642466 557033169 /nfs/dbraw/zinc/03/31/69/557033169.db2.gz CJDOZMFPACQMPV-REWPJTCUSA-N 0 0 401.897 5.896 50 0 HKAARN O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1Cl ZINC000000642468 557033198 /nfs/dbraw/zinc/03/31/98/557033198.db2.gz CJDOZMFPACQMPV-NZQKXSOJSA-N 0 0 401.897 5.896 50 0 HKAARN Nc1c(C(=O)c2ccccc2)oc2nc3c(c(-c4ccncc4)c12)CCc1ccccc1-3 ZINC000000642512 557033180 /nfs/dbraw/zinc/03/31/80/557033180.db2.gz HDJQTQVYWCDVAG-UHFFFAOYSA-N 0 0 417.468 5.469 50 0 HKAARN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1-c1ccc(Cl)cc1Cl ZINC000000642595 568929951 /nfs/dbraw/zinc/92/99/51/568929951.db2.gz TUAIRMZMGSWRHJ-UHFFFAOYSA-N 0 0 405.331 6.084 50 0 HKAARN CSc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(SC)cc3)cc2)cc1 ZINC000000642703 557033464 /nfs/dbraw/zinc/03/34/64/557033464.db2.gz BINFYOWIWVFNTH-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3Cl)c2)c1 ZINC000000642705 557033471 /nfs/dbraw/zinc/03/34/71/557033471.db2.gz CVFBHSXNXDRDRM-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN CCN(C(=O)c1ccc(C(=O)N(CC)c2cccc(C)c2)cc1)c1cccc(C)c1 ZINC000000642708 557033483 /nfs/dbraw/zinc/03/34/83/557033483.db2.gz HWXRRHBVVFNTPS-UHFFFAOYSA-N 0 0 400.522 5.637 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3Cl)cc2)c1 ZINC000000642710 557033410 /nfs/dbraw/zinc/03/34/10/557033410.db2.gz PVOSXZNDFAGUNI-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN COc1ccc(OC)c(/C=C/c2ccc(NC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000000642740 569012431 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O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000000644987 557034970 /nfs/dbraw/zinc/03/49/70/557034970.db2.gz VYBPPDJEKMQYHZ-OAHLLOKOSA-N 0 0 401.285 5.095 50 0 HKAARN O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000000644988 557034954 /nfs/dbraw/zinc/03/49/54/557034954.db2.gz VYBPPDJEKMQYHZ-HNNXBMFYSA-N 0 0 401.285 5.095 50 0 HKAARN Cc1nc(C)c(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)Nc1ccc(F)cc1 ZINC000000645009 557034967 /nfs/dbraw/zinc/03/49/67/557034967.db2.gz RTRNJIHEMJLLAA-UHFFFAOYSA-N 0 0 411.412 5.265 50 0 HKAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c1 ZINC000000645119 557034991 /nfs/dbraw/zinc/03/49/91/557034991.db2.gz NQHLEIAVCVVBRM-UHFFFAOYSA-N 0 0 403.301 5.091 50 0 HKAARN CCc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000000645123 557034974 /nfs/dbraw/zinc/03/49/74/557034974.db2.gz CODPSGYRIZKMSR-UHFFFAOYSA-N 0 0 403.301 5.037 50 0 HKAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000000645128 557034996 /nfs/dbraw/zinc/03/49/96/557034996.db2.gz 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COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4F)sc3n2)cc1 ZINC000000661558 568460257 /nfs/dbraw/zinc/46/02/57/568460257.db2.gz QSPPCCFQRRKBLE-UHFFFAOYSA-N 0 0 411.433 5.085 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(F)ccc4C)sc3n2)cc1 ZINC000000661571 568460250 /nfs/dbraw/zinc/46/02/50/568460250.db2.gz GULKVHCQXNXCCJ-UHFFFAOYSA-N 0 0 407.470 5.254 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)N[C@@H](C)c4ccccc4)sc3n2)cc1 ZINC000000661577 568460213 /nfs/dbraw/zinc/46/02/13/568460213.db2.gz AGWADSCZVJUURE-AWEZNQCLSA-N 0 0 403.507 5.045 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)N[C@H](C)c4ccccc4)sc3n2)cc1 ZINC000000661579 568460265 /nfs/dbraw/zinc/46/02/65/568460265.db2.gz AGWADSCZVJUURE-CQSZACIVSA-N 0 0 403.507 5.045 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)cc1 ZINC000000661584 568460207 /nfs/dbraw/zinc/46/02/07/568460207.db2.gz KWERXXVKLCBLFG-UHFFFAOYSA-N 0 0 417.490 5.009 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N ZINC000000661602 557043612 /nfs/dbraw/zinc/04/36/12/557043612.db2.gz PMHCVMUSGFCSAQ-UHFFFAOYSA-N 0 0 411.889 5.899 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N ZINC000000661606 557043541 /nfs/dbraw/zinc/04/35/41/557043541.db2.gz LLZMMKFVMDKXQH-UHFFFAOYSA-N 0 0 407.470 5.336 50 0 HKAARN CCOc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c1 ZINC000000661633 557043550 /nfs/dbraw/zinc/04/35/50/557043550.db2.gz ILKGJUVLTWONLM-UHFFFAOYSA-N 0 0 407.470 5.336 50 0 HKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000661641 557043591 /nfs/dbraw/zinc/04/35/91/557043591.db2.gz XDIYYFCEDYHTHC-UHFFFAOYSA-N 0 0 415.852 5.729 50 0 HKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(Cl)cc1F ZINC000000661652 557043557 /nfs/dbraw/zinc/04/35/57/557043557.db2.gz UDSXLNQSRRTRNT-UHFFFAOYSA-N 0 0 415.852 5.729 50 0 HKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(F)cc1Cl ZINC000000661654 557043560 /nfs/dbraw/zinc/04/35/60/557043560.db2.gz KKXYGKPDPOWFJD-UHFFFAOYSA-N 0 0 415.852 5.729 50 0 HKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)NCc1ccc(Cl)cc1 ZINC000000661666 568460202 /nfs/dbraw/zinc/46/02/02/568460202.db2.gz ZNNKZYJZEWVNEC-UHFFFAOYSA-N 0 0 411.889 5.268 50 0 aggregator HKAARN Cc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N ZINC000000661668 557043849 /nfs/dbraw/zinc/04/38/49/557043849.db2.gz OPDHNQBWMYKQDQ-UHFFFAOYSA-N 0 0 411.889 5.899 50 0 HKAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c(C)c1 ZINC000000661689 557043903 /nfs/dbraw/zinc/04/39/03/557043903.db2.gz LRUVOPRGODGOLS-UHFFFAOYSA-N 0 0 407.470 5.254 50 0 HKAARN CSc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 ZINC000000661701 557043848 /nfs/dbraw/zinc/04/38/48/557043848.db2.gz QSDPMFBTCPPPKL-UHFFFAOYSA-N 0 0 409.511 5.659 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 ZINC000000661716 568460246 /nfs/dbraw/zinc/46/02/46/568460246.db2.gz UKISVRZJCUTSGW-JTQLQIEISA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 ZINC000000661718 568460248 /nfs/dbraw/zinc/46/02/48/568460248.db2.gz UKISVRZJCUTSGW-SNVBAGLBSA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4Cl)c(N)c3cc2C1 ZINC000000661724 568460231 /nfs/dbraw/zinc/46/02/31/568460231.db2.gz ARMLNAOBGBKYFG-JTQLQIEISA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4Cl)c(N)c3cc2C1 ZINC000000661726 568460259 /nfs/dbraw/zinc/46/02/59/568460259.db2.gz ARMLNAOBGBKYFG-SNVBAGLBSA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 ZINC000000661809 568460238 /nfs/dbraw/zinc/46/02/38/568460238.db2.gz PGPHKLOTTKXGBR-NSHDSACASA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 ZINC000000661812 568460192 /nfs/dbraw/zinc/46/01/92/568460192.db2.gz PGPHKLOTTKXGBR-LLVKDONJSA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 ZINC000000661814 568460211 /nfs/dbraw/zinc/46/02/11/568460211.db2.gz IRJJKJNEHWYWEK-NSHDSACASA-N 0 0 415.946 5.308 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 ZINC000000661818 568460222 /nfs/dbraw/zinc/46/02/22/568460222.db2.gz IRJJKJNEHWYWEK-LLVKDONJSA-N 0 0 415.946 5.308 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 ZINC000000661820 568460198 /nfs/dbraw/zinc/46/01/98/568460198.db2.gz CNOFJKLLBRAGFL-JTQLQIEISA-N 0 0 403.910 5.438 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 ZINC000000661822 568460289 /nfs/dbraw/zinc/46/02/89/568460289.db2.gz CNOFJKLLBRAGFL-SNVBAGLBSA-N 0 0 403.910 5.438 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1 ZINC000000661825 557043888 /nfs/dbraw/zinc/04/38/88/557043888.db2.gz OSIMNZZFAKKFFJ-NSHDSACASA-N 0 0 415.946 5.308 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1 ZINC000000661828 557043892 /nfs/dbraw/zinc/04/38/92/557043892.db2.gz OSIMNZZFAKKFFJ-LLVKDONJSA-N 0 0 415.946 5.308 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 ZINC000000661846 568460190 /nfs/dbraw/zinc/46/01/90/568460190.db2.gz QGMQWHNUJYMCEX-JTQLQIEISA-N 0 0 403.910 5.438 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 ZINC000000661847 568460282 /nfs/dbraw/zinc/46/02/82/568460282.db2.gz QGMQWHNUJYMCEX-SNVBAGLBSA-N 0 0 403.910 5.438 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4Cl)c(N)c3cc2C1 ZINC000000661850 568460254 /nfs/dbraw/zinc/46/02/54/568460254.db2.gz UUDZDWYEJKLWGP-JTQLQIEISA-N 0 0 403.910 5.438 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4Cl)c(N)c3cc2C1 ZINC000000661851 568460240 /nfs/dbraw/zinc/46/02/40/568460240.db2.gz UUDZDWYEJKLWGP-SNVBAGLBSA-N 0 0 403.910 5.438 50 0 HKAARN O=C1NC(=Cc2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000000661856 557043879 /nfs/dbraw/zinc/04/38/79/557043879.db2.gz RZIDIJNGIUJUDN-CPNJWEJPSA-N 0 0 406.894 5.589 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 ZINC000000661858 557043843 /nfs/dbraw/zinc/04/38/43/557043843.db2.gz AURMOROKQGKJQN-NSHDSACASA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 ZINC000000661860 557043870 /nfs/dbraw/zinc/04/38/70/557043870.db2.gz AURMOROKQGKJQN-LLVKDONJSA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 ZINC000000661863 568460215 /nfs/dbraw/zinc/46/02/15/568460215.db2.gz VEPNNMBVLNICDL-NSHDSACASA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 ZINC000000661864 568460280 /nfs/dbraw/zinc/46/02/80/568460280.db2.gz VEPNNMBVLNICDL-LLVKDONJSA-N 0 0 419.472 5.665 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)NCCc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000000661893 568460264 /nfs/dbraw/zinc/46/02/64/568460264.db2.gz BUXPVFARTVUYEH-ZDUSSCGKSA-N 0 0 413.974 5.019 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(N)c3cc2C1 ZINC000000661907 568460262 /nfs/dbraw/zinc/46/02/62/568460262.db2.gz WPKVSJDJZDUEHE-JTQLQIEISA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(N)c3cc2C1 ZINC000000661911 568460278 /nfs/dbraw/zinc/46/02/78/568460278.db2.gz WPKVSJDJZDUEHE-SNVBAGLBSA-N 0 0 420.365 5.953 50 0 HKAARN CC[C@H]1CCc2nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3cc2C1 ZINC000000661975 568460229 /nfs/dbraw/zinc/46/02/29/568460229.db2.gz SOZKNVCNYFZFIR-NSHDSACASA-N 0 0 415.356 5.387 50 0 HKAARN CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3cc2C1 ZINC000000661977 568460284 /nfs/dbraw/zinc/46/02/84/568460284.db2.gz SOZKNVCNYFZFIR-LLVKDONJSA-N 0 0 415.356 5.387 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C)cc1C ZINC000000662291 557043873 /nfs/dbraw/zinc/04/38/73/557043873.db2.gz WVQJHZFVNYDKAA-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000662656 568460260 /nfs/dbraw/zinc/46/02/60/568460260.db2.gz ZOGUZIFVWRDORS-UHFFFAOYSA-N 0 0 418.500 6.014 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000000662931 557044192 /nfs/dbraw/zinc/04/41/92/557044192.db2.gz JUEUCQVGQPHXOJ-UHFFFAOYSA-N 0 0 416.521 5.774 50 0 HKAARN COC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cccs1 ZINC000000662941 557044154 /nfs/dbraw/zinc/04/41/54/557044154.db2.gz QALNQPWYVNHELH-UHFFFAOYSA-N 0 0 412.319 5.822 50 0 HKAARN COc1ccc(-c2c(C)sc(NC(=O)c3ccc(C)o3)c2C(=O)OC(C)C)cc1 ZINC000000662948 557044165 /nfs/dbraw/zinc/04/41/65/557044165.db2.gz LETKQZXADYOSEY-UHFFFAOYSA-N 0 0 413.495 5.451 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccccc1 ZINC000000662963 557044129 /nfs/dbraw/zinc/04/41/29/557044129.db2.gz OWLCKPHVAKHUEK-UHFFFAOYSA-N 0 0 409.507 5.226 50 0 HKAARN CCCc1ccc(-c2csc(NC(=O)c3cccnc3Cl)c2C(=O)OC)cc1 ZINC000000662982 557044132 /nfs/dbraw/zinc/04/41/32/557044132.db2.gz WNGCTEBQKVYIRF-UHFFFAOYSA-N 0 0 414.914 5.455 50 0 HKAARN Cc1nc2ccccc2n1-c1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000662993 557044135 /nfs/dbraw/zinc/04/41/35/557044135.db2.gz HERGMZNISYIFFS-UHFFFAOYSA-N 0 0 412.884 5.642 50 0 HKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1 ZINC000000662997 132230271 /nfs/dbraw/zinc/23/02/71/132230271.db2.gz MPZJUBUAYOZSPC-UHFFFAOYSA-N 0 0 406.345 5.148 50 0 HKAARN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Br)cc1)C(C)(C)C=C2C ZINC000000663019 132230309 /nfs/dbraw/zinc/23/03/09/132230309.db2.gz KWIPDZJUTQIEPB-UHFFFAOYSA-N 0 0 406.345 5.148 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000663039 132230314 /nfs/dbraw/zinc/23/03/14/132230314.db2.gz BLKGOEBISCPGCY-IERDGZPVSA-N 0 0 412.942 5.481 50 0 HKAARN Cc1sc(NC(=O)[C@H]2CCCO2)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000000663053 557044237 /nfs/dbraw/zinc/04/42/37/557044237.db2.gz XTGMHKRQMVEQER-OAHLLOKOSA-N 0 0 407.919 5.060 50 0 HKAARN Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000000663055 557044220 /nfs/dbraw/zinc/04/42/20/557044220.db2.gz XTGMHKRQMVEQER-HNNXBMFYSA-N 0 0 407.919 5.060 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)c3cccnc3Cl)c2C(=O)OC)cc1 ZINC000000663103 568460252 /nfs/dbraw/zinc/46/02/52/568460252.db2.gz KUYXWQBVLBISLA-UHFFFAOYSA-N 0 0 400.887 5.065 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1CCCO1 ZINC000000663112 557044235 /nfs/dbraw/zinc/04/42/35/557044235.db2.gz KBQUOCWFHYAPFZ-CQSZACIVSA-N 0 0 414.310 5.016 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@@H]1CCCO1 ZINC000000663113 557044139 /nfs/dbraw/zinc/04/41/39/557044139.db2.gz KBQUOCWFHYAPFZ-AWEZNQCLSA-N 0 0 414.310 5.016 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 ZINC000000663196 557044529 /nfs/dbraw/zinc/04/45/29/557044529.db2.gz ZUGMDBIAYZFLTP-UHFFFAOYSA-N 0 0 400.522 5.933 50 0 HKAARN CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccccc2)cc1 ZINC000000663207 557044491 /nfs/dbraw/zinc/04/44/91/557044491.db2.gz XKIKZWDVZRCXHB-UHFFFAOYSA-N 0 0 400.522 5.011 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1)CCCCC3 ZINC000000663240 568460331 /nfs/dbraw/zinc/46/03/31/568460331.db2.gz ONMPNPCNJGSQMJ-UHFFFAOYSA-N 0 0 421.444 5.298 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1OC(F)(F)F)CCCCC3 ZINC000000663242 568460383 /nfs/dbraw/zinc/46/03/83/568460383.db2.gz PYULVWCGQKJMPW-UHFFFAOYSA-N 0 0 421.444 5.298 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1c(Cl)cccc1Cl)CCCCCC3 ZINC000000663252 568460334 /nfs/dbraw/zinc/46/03/34/568460334.db2.gz RVWNAWIINLSRQB-UHFFFAOYSA-N 0 0 420.365 6.097 50 0 HKAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)Nc1c(Cl)cccc1Cl ZINC000000663268 568460300 /nfs/dbraw/zinc/46/03/00/568460300.db2.gz HOOOBUJKGFFXBU-UHFFFAOYSA-N 0 0 415.305 5.500 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1C(F)(F)F)CCCCC3 ZINC000000663521 568460385 /nfs/dbraw/zinc/46/03/85/568460385.db2.gz YFAVWYWYEHLJML-UHFFFAOYSA-N 0 0 405.445 5.419 50 0 HKAARN COc1ccc(C(=O)c2sc3nc(C)cc(-c4cccs4)c3c2N)cc1OC ZINC000000663528 557044514 /nfs/dbraw/zinc/04/45/14/557044514.db2.gz YWYCTYVHZWHOAQ-UHFFFAOYSA-N 0 0 410.520 5.164 50 0 HKAARN COc1ccc(C(=O)c2sc3nc(C)cc(-c4ccc(Cl)cc4)c3c2N)cc1 ZINC000000663662 557044498 /nfs/dbraw/zinc/04/44/98/557044498.db2.gz XPBPOIVHEWLHHZ-UHFFFAOYSA-N 0 0 408.910 5.747 50 0 HKAARN COc1cccc(C(=O)c2sc3nc(C)cc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000000663665 557044503 /nfs/dbraw/zinc/04/45/03/557044503.db2.gz FKUCRPCPKMJVAL-UHFFFAOYSA-N 0 0 408.910 5.747 50 0 HKAARN CC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2c1N ZINC000000663818 557044509 /nfs/dbraw/zinc/04/45/09/557044509.db2.gz KPKDAZVTYLTECT-UHFFFAOYSA-N 0 0 405.228 6.074 50 0 HKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12 ZINC000000663827 568460309 /nfs/dbraw/zinc/46/03/09/568460309.db2.gz SBFTWVTUHHTKOQ-UHFFFAOYSA-N 0 0 417.387 5.329 50 0 HKAARN O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1C1CCCCC1 ZINC000000663841 568460354 /nfs/dbraw/zinc/46/03/54/568460354.db2.gz RYCQPFUNJIUISS-PXLXIMEGSA-N 0 0 415.562 5.080 50 0 HKAARN Cc1ccccc1Oc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000000663886 132230277 /nfs/dbraw/zinc/23/02/77/132230277.db2.gz DTQAKNSSTSGLBK-UHFFFAOYSA-N 0 0 405.453 5.840 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccncc2)cc1 ZINC000000663925 557044505 /nfs/dbraw/zinc/04/45/05/557044505.db2.gz ORCSMCTXCFEEFM-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCOc1ccc(-n2c(C)nnc2SCc2ccc(Br)cc2)cc1 ZINC000000663927 557044547 /nfs/dbraw/zinc/04/45/47/557044547.db2.gz DVKYCDKMTORARW-UHFFFAOYSA-N 0 0 404.333 5.029 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000000663943 557044499 /nfs/dbraw/zinc/04/44/99/557044499.db2.gz KLGNOJIJBFVBHT-UHFFFAOYSA-N 0 0 414.962 5.294 50 0 HKAARN Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000000663984 557044510 /nfs/dbraw/zinc/04/45/10/557044510.db2.gz XMHDYWPSRADEBM-UHFFFAOYSA-N 0 0 412.493 5.914 50 0 HKAARN C[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 ZINC000000663999 568460357 /nfs/dbraw/zinc/46/03/57/568460357.db2.gz VPXQONCWGXIZHG-VIFPVBQESA-N 0 0 423.435 5.414 50 0 HKAARN C[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 ZINC000000664001 568460346 /nfs/dbraw/zinc/46/03/46/568460346.db2.gz VPXQONCWGXIZHG-SECBINFHSA-N 0 0 423.435 5.414 50 0 HKAARN Cc1cccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)c1 ZINC000000664020 557044554 /nfs/dbraw/zinc/04/45/54/557044554.db2.gz ASINKQMJTRAGSR-UHFFFAOYSA-N 0 0 408.530 6.083 50 0 HKAARN CCc1nc2sc(C(=O)Nc3ccccc3Cl)c(N)c2c(C(F)(F)F)c1C ZINC000000664029 568460338 /nfs/dbraw/zinc/46/03/38/568460338.db2.gz XUMCBODCCUMWHU-UHFFFAOYSA-N 0 0 413.852 5.674 50 0 HKAARN CCc1nc2sc(C(=O)NCc3ccc(C)cc3)c(N)c2c(C(F)(F)F)c1C ZINC000000664032 568460340 /nfs/dbraw/zinc/46/03/40/568460340.db2.gz ZLZAZAVMMYEXKT-UHFFFAOYSA-N 0 0 407.461 5.007 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)cc1 ZINC000000664041 568460323 /nfs/dbraw/zinc/46/03/23/568460323.db2.gz DOCLDDDTIGTURH-UHFFFAOYSA-N 0 0 405.445 5.337 50 0 HKAARN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000000664088 557044745 /nfs/dbraw/zinc/04/47/45/557044745.db2.gz IPWMXWBXBMVYEJ-UHFFFAOYSA-N 0 0 414.962 5.356 50 0 HKAARN COc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000000664127 557044793 /nfs/dbraw/zinc/04/47/93/557044793.db2.gz LDBVXXAZENIJBY-UHFFFAOYSA-N 0 0 424.529 5.783 50 0 HKAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000664128 557044844 /nfs/dbraw/zinc/04/48/44/557044844.db2.gz PKEVATKGNHWNML-UHFFFAOYSA-N 0 0 414.534 5.228 50 0 HKAARN COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000000664137 557044804 /nfs/dbraw/zinc/04/48/04/557044804.db2.gz ORCIQCAXKJLPRX-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000000664213 557044753 /nfs/dbraw/zinc/04/47/53/557044753.db2.gz FKQHUYOOPWKOMN-UHFFFAOYSA-N 0 0 400.935 5.048 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1C ZINC000000664251 557044813 /nfs/dbraw/zinc/04/48/13/557044813.db2.gz QFUDAODLGQVAFN-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000000664315 557044748 /nfs/dbraw/zinc/04/47/48/557044748.db2.gz POTAHHOGJXHKMF-UHFFFAOYSA-N 0 0 414.534 5.282 50 0 HKAARN C[C@H](NC(=O)c1ccccc1NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000000664450 557044984 /nfs/dbraw/zinc/04/49/84/557044984.db2.gz GBHQMZSHCOPFMU-SFHVURJKSA-N 0 0 404.535 5.299 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000000664452 557044979 /nfs/dbraw/zinc/04/49/79/557044979.db2.gz GBHQMZSHCOPFMU-GOSISDBHSA-N 0 0 404.535 5.299 50 0 HKAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc(Br)cc1Cl ZINC000000664525 557044926 /nfs/dbraw/zinc/04/49/26/557044926.db2.gz XCHXVRZJEFWDQU-UHFFFAOYSA-N 0 0 416.702 5.787 50 0 HKAARN Fc1ccc(C(OCCn2cnc(-c3ccc(Cl)cc3)c2)c2ccc(F)cc2)cc1 ZINC000000664918 568460364 /nfs/dbraw/zinc/46/03/64/568460364.db2.gz HCLJQLSDOLQJFD-UHFFFAOYSA-N 0 0 424.878 6.288 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3Cl)n2)cc1 ZINC000000665078 560725047 /nfs/dbraw/zinc/72/50/47/560725047.db2.gz HEFVDXCGUBPXBF-UHFFFAOYSA-N 0 0 407.720 5.787 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000665268 557045027 /nfs/dbraw/zinc/04/50/27/557045027.db2.gz RUVNCTUDQIQURU-UHFFFAOYSA-N 0 0 400.478 6.053 50 0 HKAARN COc1cccc2c1N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000666138 536958549 /nfs/dbraw/zinc/95/85/49/536958549.db2.gz 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ZINC000000666521 557045665 /nfs/dbraw/zinc/04/56/65/557045665.db2.gz TWLJOZOGBNXJAM-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c1 ZINC000000666523 557045540 /nfs/dbraw/zinc/04/55/40/557045540.db2.gz LBPLBQJYXKMIHR-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 ZINC000000666526 557045903 /nfs/dbraw/zinc/04/59/03/557045903.db2.gz WBWNKUGPPLGNPB-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000000666528 557045914 /nfs/dbraw/zinc/04/59/14/557045914.db2.gz ORLQBWUTINDLSB-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000000666530 557045908 /nfs/dbraw/zinc/04/59/08/557045908.db2.gz XNOMWCMHSSESLL-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 HKAARN COc1cccc(C(=O)N2c3c(C)cccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000000666638 132230535 /nfs/dbraw/zinc/23/05/35/132230535.db2.gz ULNNOMPWOJWYGP-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)cc1OC ZINC000000666704 557045923 /nfs/dbraw/zinc/04/59/23/557045923.db2.gz SZFAFBAWLQJXEH-UHFFFAOYSA-N 0 0 424.840 5.123 50 0 HKAARN O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000666707 132230478 /nfs/dbraw/zinc/23/04/78/132230478.db2.gz HLLQNMNWENCBMI-UHFFFAOYSA-N 0 0 423.738 5.110 50 0 HKAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000000666874 557045917 /nfs/dbraw/zinc/04/59/17/557045917.db2.gz ILXLCQPBJMMMMQ-UHFFFAOYSA-N 0 0 409.942 5.220 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1Br ZINC000000666907 557045946 /nfs/dbraw/zinc/04/59/46/557045946.db2.gz DMWUUGFQGQMIFN-UHFFFAOYSA-N 0 0 423.738 5.354 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1C ZINC000000666940 557045959 /nfs/dbraw/zinc/04/59/59/557045959.db2.gz GKHXWGUNNFPRJU-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN Cc1ccc(C(C)C)c(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)c1 ZINC000000666950 557045904 /nfs/dbraw/zinc/04/59/04/557045904.db2.gz FLDADENQQIFMAI-UHFFFAOYSA-N 0 0 406.595 5.923 50 0 HKAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000000667092 568460433 /nfs/dbraw/zinc/46/04/33/568460433.db2.gz SGFJIKYHCKXIPG-CSKARUKUSA-N 0 0 409.239 5.502 50 0 HKAARN O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000667098 557046257 /nfs/dbraw/zinc/04/62/57/557046257.db2.gz YYQHZAYMQQURAG-VQHVLOKHSA-N 0 0 401.249 5.491 50 0 HKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc64)CC5)cc3n2)cc1 ZINC000000667101 557046189 /nfs/dbraw/zinc/04/61/89/557046189.db2.gz HRYQHWFBSXPFIV-UHFFFAOYSA-N 0 0 404.473 5.233 50 0 HKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc64)CC5)cc3n2)cc1C ZINC000000667102 557046182 /nfs/dbraw/zinc/04/61/82/557046182.db2.gz QUOXLSZQJBDGNL-UHFFFAOYSA-N 0 0 418.500 5.541 50 0 HKAARN c1csc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)c1 ZINC000000667103 557046172 /nfs/dbraw/zinc/04/61/72/557046172.db2.gz GSDAYOPUDKNPOV-UHFFFAOYSA-N 0 0 417.519 5.338 50 0 HKAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000000667104 557046250 /nfs/dbraw/zinc/04/62/50/557046250.db2.gz GJYCVERQOHNACY-UHFFFAOYSA-N 0 0 420.472 5.348 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000667216 557046207 /nfs/dbraw/zinc/04/62/07/557046207.db2.gz TZSZPDUKEKYHNK-QFIPXVFZSA-N 0 0 424.547 5.028 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000667218 557046253 /nfs/dbraw/zinc/04/62/53/557046253.db2.gz TZSZPDUKEKYHNK-JOCHJYFZSA-N 0 0 424.547 5.028 50 0 HKAARN CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1cccnc1 ZINC000000667692 557046767 /nfs/dbraw/zinc/04/67/67/557046767.db2.gz WNKYXIYMZDESAK-UHFFFAOYSA-N 0 0 416.502 5.781 50 0 HKAARN O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CCc2ccccc21 ZINC000000667698 557046908 /nfs/dbraw/zinc/04/69/08/557046908.db2.gz PJIFTPPTQDFYQK-UHFFFAOYSA-N 0 0 408.295 5.231 50 0 HKAARN CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccco1 ZINC000000667841 557046824 /nfs/dbraw/zinc/04/68/24/557046824.db2.gz HKPDAFGWVZBQQY-UHFFFAOYSA-N 0 0 405.475 5.979 50 0 HKAARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1 ZINC000000667932 558829915 /nfs/dbraw/zinc/82/99/15/558829915.db2.gz TYTIMMUAVGJHDR-PXLXIMEGSA-N 0 0 400.865 5.377 50 0 HKAARN CCc1cc2c(cc1[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 ZINC000000667997 557046793 /nfs/dbraw/zinc/04/67/93/557046793.db2.gz YPZBUJCRVYKHFQ-XMMPIXPASA-N 0 0 415.533 5.053 50 0 HKAARN CCc1cc2c(cc1[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 ZINC000000667998 557046913 /nfs/dbraw/zinc/04/69/13/557046913.db2.gz YPZBUJCRVYKHFQ-DEOSSOPVSA-N 0 0 415.533 5.053 50 0 HKAARN CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OCC ZINC000000668065 557046890 /nfs/dbraw/zinc/04/68/90/557046890.db2.gz LODZBGSBQSGCTO-JOCHJYFZSA-N 0 0 407.485 5.337 50 0 HKAARN CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OCC ZINC000000668066 557047173 /nfs/dbraw/zinc/04/71/73/557047173.db2.gz LODZBGSBQSGCTO-QFIPXVFZSA-N 0 0 407.485 5.337 50 0 HKAARN CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1OCC 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404.944 5.092 50 0 HKAARN COC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1cccs1 ZINC000000669136 557047531 /nfs/dbraw/zinc/04/75/31/557047531.db2.gz QSMYTTJOSLVGNH-UHFFFAOYSA-N 0 0 422.325 5.278 50 0 HKAARN CCc1c(C)sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1C(=O)OC ZINC000000669138 557047575 /nfs/dbraw/zinc/04/75/75/557047575.db2.gz XBNJCGVISSOOII-UHFFFAOYSA-N 0 0 407.944 5.834 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000669156 557047547 /nfs/dbraw/zinc/04/75/47/557047547.db2.gz PFWROUVPIXEEAU-UHFFFAOYSA-N 0 0 420.248 5.204 50 0 HKAARN COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000669385 569030441 /nfs/dbraw/zinc/03/04/41/569030441.db2.gz GECDKZDSKUMLSP-BPQIPLTHSA-N 0 0 411.567 5.428 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)o1 ZINC000000669432 557047933 /nfs/dbraw/zinc/04/79/33/557047933.db2.gz KNKWLJUKBIKBDT-UHFFFAOYSA-N 0 0 418.099 5.725 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000669456 557047883 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Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)oc2c1 ZINC000000669806 557047930 /nfs/dbraw/zinc/04/79/30/557047930.db2.gz XKUKLJAPFVZQKR-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000669809 557047850 /nfs/dbraw/zinc/04/78/50/557047850.db2.gz LASJFGNYTFLYNY-UHFFFAOYSA-N 0 0 423.925 5.028 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000000669813 557047919 /nfs/dbraw/zinc/04/79/19/557047919.db2.gz COGXECXQBUTDNO-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000000669814 557047902 /nfs/dbraw/zinc/04/79/02/557047902.db2.gz GIKQIDVYWPKTJU-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000669828 557048096 /nfs/dbraw/zinc/04/80/96/557048096.db2.gz BHYMBMUPRFEKDC-UHFFFAOYSA-N 0 0 419.531 5.099 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1 ZINC000000670322 557048473 /nfs/dbraw/zinc/04/84/73/557048473.db2.gz 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O=C(Nc1cccc(NC(=O)c2cccc3ccccc32)c1)c1cccc2ccccc21 ZINC000000670857 568460964 /nfs/dbraw/zinc/46/09/64/568460964.db2.gz MGJHQFVTPUAYER-UHFFFAOYSA-N 0 0 416.480 6.498 50 0 HKAARN CCc1c(C)sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C(N)=O ZINC000000670874 557049181 /nfs/dbraw/zinc/04/91/81/557049181.db2.gz DHTHONBRBYEOBN-LJQANCHMSA-N 0 0 410.564 5.190 50 0 HKAARN CCc1c(C)sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C(N)=O ZINC000000670876 557049125 /nfs/dbraw/zinc/04/91/25/557049125.db2.gz DHTHONBRBYEOBN-IBGZPJMESA-N 0 0 410.564 5.190 50 0 HKAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000670897 557049193 /nfs/dbraw/zinc/04/91/93/557049193.db2.gz KUQFLGCMAMVGCN-UHFFFAOYSA-N 0 0 406.485 5.710 50 0 HKAARN COc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)c1 ZINC000000670951 557049214 /nfs/dbraw/zinc/04/92/14/557049214.db2.gz WGIZVTUIOGPDLK-UHFFFAOYSA-N 0 0 414.461 5.180 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1sc2ccccc2c1Cl ZINC000000670953 557049220 /nfs/dbraw/zinc/04/92/20/557049220.db2.gz 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557052808 /nfs/dbraw/zinc/05/28/08/557052808.db2.gz GAYIQCMIHGFOGO-UHFFFAOYSA-N 0 0 420.484 5.093 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000677193 557053576 /nfs/dbraw/zinc/05/35/76/557053576.db2.gz JHTQRWVGLVNQAP-UHFFFAOYSA-N 0 0 416.790 5.321 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000677198 557053489 /nfs/dbraw/zinc/05/34/89/557053489.db2.gz KISQMJWPJIPKRO-UHFFFAOYSA-N 0 0 410.399 5.230 50 0 HKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000677255 557053499 /nfs/dbraw/zinc/05/34/99/557053499.db2.gz VXGSZWBABPSEFF-GOSISDBHSA-N 0 0 408.542 5.280 50 0 HKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000677256 557053546 /nfs/dbraw/zinc/05/35/46/557053546.db2.gz VXGSZWBABPSEFF-SFHVURJKSA-N 0 0 408.542 5.280 50 0 HKAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 ZINC000000677315 557053509 /nfs/dbraw/zinc/05/35/09/557053509.db2.gz XPRIDENXNBJPDC-UHFFFAOYSA-N 0 0 400.478 6.090 50 0 HKAARN 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/nfs/dbraw/zinc/06/32/88/557063288.db2.gz NPHRDPCEMWVMFB-UHFFFAOYSA-N 0 0 419.500 5.126 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000000704789 558830076 /nfs/dbraw/zinc/83/00/76/558830076.db2.gz BNTQDOMTHQRLMA-HXUWFJFHSA-N 0 0 417.505 5.027 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000000704940 557063273 /nfs/dbraw/zinc/06/32/73/557063273.db2.gz VMOXRAXLIQATAA-UHFFFAOYSA-N 0 0 412.458 5.445 50 0 HKAARN Cc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3cc(C)ccc3n2C)cc1 ZINC000000704957 568463042 /nfs/dbraw/zinc/46/30/42/568463042.db2.gz RUYKPOQTBBUVAB-UHFFFAOYSA-N 0 0 400.547 6.128 50 0 HKAARN O=C(Nc1nccs1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000000704992 557063304 /nfs/dbraw/zinc/06/33/04/557063304.db2.gz NIBNCWFGGYDGDV-UHFFFAOYSA-N 0 0 413.502 5.166 50 0 HKAARN CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)Nc1ccc(C)cc1 ZINC000000705013 557063278 /nfs/dbraw/zinc/06/32/78/557063278.db2.gz WTHPWYACBIELDR-UHFFFAOYSA-N 0 0 400.547 5.901 50 0 HKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000000705086 557063391 /nfs/dbraw/zinc/06/33/91/557063391.db2.gz GCSRWYOQPJMADL-UHFFFAOYSA-N 0 0 408.310 5.337 50 0 HKAARN Cc1cccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)c1C ZINC000000705335 568463277 /nfs/dbraw/zinc/46/32/77/568463277.db2.gz BXTYFJLAABWVBH-UHFFFAOYSA-N 0 0 404.853 5.010 50 0 HKAARN CC(=O)c1nn(-c2ccc(Br)cc2)/c(=N/c2cccc3ccccc32)s1 ZINC000000705375 568463288 /nfs/dbraw/zinc/46/32/88/568463288.db2.gz VJNUYEKOGPVBTQ-XDOYNYLZSA-N 0 0 424.323 5.285 50 0 HKAARN Brc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000000705667 557063693 /nfs/dbraw/zinc/06/36/93/557063693.db2.gz ZXFUAZMJRNNCOI-UHFFFAOYSA-N 0 0 412.312 5.582 50 0 HKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 ZINC000000705853 568463425 /nfs/dbraw/zinc/46/34/25/568463425.db2.gz SIMFVESPWYJTLA-UHFFFAOYSA-N 0 0 419.350 5.477 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 ZINC000000705984 557063736 /nfs/dbraw/zinc/06/37/36/557063736.db2.gz LFLZKLHNQXCHGJ-UHFFFAOYSA-N 0 0 412.458 5.445 50 0 HKAARN Nc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000000706142 568463575 /nfs/dbraw/zinc/46/35/75/568463575.db2.gz AZVJRYRWSYNJDA-UHFFFAOYSA-N 0 0 420.441 5.273 50 0 HKAARN COc1cc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)c(OC)cc1Cl ZINC000000706267 557063646 /nfs/dbraw/zinc/06/36/46/557063646.db2.gz QBBHURPZFNBDEB-UHFFFAOYSA-N 0 0 402.947 6.423 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2ccc(-c3ccccc3)cc2)c2ccc(O)cc21 ZINC000000706428 568463569 /nfs/dbraw/zinc/46/35/69/568463569.db2.gz CDJUGDDWFFWNEO-UHFFFAOYSA-N 0 0 415.489 5.578 50 0 HKAARN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1ccccc1Cl ZINC000000706463 557063943 /nfs/dbraw/zinc/06/39/43/557063943.db2.gz XPNXTPXLVDEBRN-UHFFFAOYSA-N 0 0 415.898 5.506 50 0 HKAARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000000706470 557063940 /nfs/dbraw/zinc/06/39/40/557063940.db2.gz RRIQTFUYTZJKQQ-HSZRJFAPSA-N 0 0 420.509 5.230 50 0 HKAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000000706471 557063968 /nfs/dbraw/zinc/06/39/68/557063968.db2.gz RRIQTFUYTZJKQQ-QHCPKHFHSA-N 0 0 420.509 5.230 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1 ZINC000000706472 536666467 /nfs/dbraw/zinc/66/64/67/536666467.db2.gz NGLYUYSFLRYVGV-DEOSSOPVSA-N 0 0 402.494 5.501 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(C)C)cc2)cc1 ZINC000000706473 536665966 /nfs/dbraw/zinc/66/59/66/536665966.db2.gz NGLYUYSFLRYVGV-XMMPIXPASA-N 0 0 402.494 5.501 50 0 HKAARN COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c21 ZINC000000706556 568463561 /nfs/dbraw/zinc/46/35/61/568463561.db2.gz MVSNDOCEOGLHPD-UHFFFAOYSA-N 0 0 416.502 5.234 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OC)cc3OC)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000706598 557064198 /nfs/dbraw/zinc/06/41/98/557064198.db2.gz WCXGZTMVWQLYNY-UHFFFAOYSA-N 0 0 416.477 5.445 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000706599 557064304 /nfs/dbraw/zinc/06/43/04/557064304.db2.gz BDRQGELSYCMCHD-UHFFFAOYSA-N 0 0 416.477 5.445 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cccs1 ZINC000000706643 557064311 /nfs/dbraw/zinc/06/43/11/557064311.db2.gz XKBBTTKFLXTGLF-UHFFFAOYSA-N 0 0 414.313 7.253 50 0 HKAARN Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCCCC2)c1=S ZINC000000706647 557064234 /nfs/dbraw/zinc/06/42/34/557064234.db2.gz XEKBYCPBOTYGRI-UHFFFAOYSA-N 0 0 400.592 5.021 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000706649 557064286 /nfs/dbraw/zinc/06/42/86/557064286.db2.gz RAXPWDWAEVRBQD-UHFFFAOYSA-N 0 0 403.869 5.542 50 0 HKAARN CCCc1ccc(Oc2c(=O)c3ccc(OC(C)=O)cc3oc2C(F)(F)F)cc1 ZINC000000706792 557064209 /nfs/dbraw/zinc/06/42/09/557064209.db2.gz HGXRFJKGSFIYRF-UHFFFAOYSA-N 0 0 406.356 5.482 50 0 biogenic HKAARN Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000000706854 557064280 /nfs/dbraw/zinc/06/42/80/557064280.db2.gz HTUITCVQNNSKCW-UHFFFAOYSA-N 0 0 423.563 5.223 50 0 HKAARN O=C(Nc1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1)c1ccccc1 ZINC000000706878 568463522 /nfs/dbraw/zinc/46/35/22/568463522.db2.gz KZCKXQNZBWNDPM-UHFFFAOYSA-N 0 0 401.491 5.615 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)/C=C/c1ccco1 ZINC000000706881 557064307 /nfs/dbraw/zinc/06/43/07/557064307.db2.gz GXLSIDHPJSUSBB-MDZDMXLPSA-N 0 0 401.871 5.490 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1Br ZINC000000706922 557064276 /nfs/dbraw/zinc/06/42/76/557064276.db2.gz CNPHVPJMIPBATJ-CSKARUKUSA-N 0 0 415.312 5.233 50 0 HKAARN Cc1c(C)n(C[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccccc12 ZINC000000707002 568463574 /nfs/dbraw/zinc/46/35/74/568463574.db2.gz IFTGIXOZPDAXLO-XMMPIXPASA-N 0 0 421.544 5.850 50 0 HKAARN Cc1c(C)n(C[C@@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccccc12 ZINC000000707003 568463533 /nfs/dbraw/zinc/46/35/33/568463533.db2.gz IFTGIXOZPDAXLO-DEOSSOPVSA-N 0 0 421.544 5.850 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1)CCC3 ZINC000000707027 557064585 /nfs/dbraw/zinc/06/45/85/557064585.db2.gz UYJUQXCOGJRESO-UHFFFAOYSA-N 0 0 423.485 5.238 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2o1 ZINC000000707038 557064601 /nfs/dbraw/zinc/06/46/01/557064601.db2.gz VSIYYZDKQLOORM-UHFFFAOYSA-N 0 0 405.475 5.899 50 0 HKAARN Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C ZINC000000707121 568463473 /nfs/dbraw/zinc/46/34/73/568463473.db2.gz BWGFYZKEPHCVEU-RUZDIDTESA-N 0 0 414.549 5.215 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C ZINC000000707122 568463469 /nfs/dbraw/zinc/46/34/69/568463469.db2.gz BWGFYZKEPHCVEU-VWLOTQADSA-N 0 0 414.549 5.215 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000707294 568463550 /nfs/dbraw/zinc/46/35/50/568463550.db2.gz SHTXIQKEXQRWRO-FGEXJBCWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000000707295 568463481 /nfs/dbraw/zinc/46/34/81/568463481.db2.gz SHTXIQKEXQRWRO-ZQFKLAOWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000707296 568463565 /nfs/dbraw/zinc/46/35/65/568463565.db2.gz SHTXIQKEXQRWRO-QQNJPBSNSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000707297 568463496 /nfs/dbraw/zinc/46/34/96/568463496.db2.gz SHTXIQKEXQRWRO-VUUXHMSQSA-N 0 0 413.904 5.219 50 0 HKAARN COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000000707363 132231283 /nfs/dbraw/zinc/23/12/83/132231283.db2.gz JIWZGOTUDOGKGI-FQEVSTJZSA-N 0 0 410.832 5.037 50 0 HKAARN COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000000707364 132231342 /nfs/dbraw/zinc/23/13/42/132231342.db2.gz JIWZGOTUDOGKGI-HXUWFJFHSA-N 0 0 410.832 5.037 50 0 HKAARN COc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 ZINC000000707393 557064662 /nfs/dbraw/zinc/06/46/62/557064662.db2.gz VRWDSGJCDSYVHH-UHFFFAOYSA-N 0 0 403.507 5.147 50 0 HKAARN O=C(CSc1nc2ccccc2o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000707581 557064572 /nfs/dbraw/zinc/06/45/72/557064572.db2.gz RNLJAIZWPNKBSU-UHFFFAOYSA-N 0 0 420.334 5.596 50 0 HKAARN COc1cc(Br)c([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OC ZINC000000707612 557064652 /nfs/dbraw/zinc/06/46/52/557064652.db2.gz NFOGOXLEMKJHFI-HNNXBMFYSA-N 0 0 412.283 5.094 50 0 HKAARN COc1cc(Br)c([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OC ZINC000000707613 557064580 /nfs/dbraw/zinc/06/45/80/557064580.db2.gz NFOGOXLEMKJHFI-OAHLLOKOSA-N 0 0 412.283 5.094 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCC3)c1 ZINC000000707699 557064839 /nfs/dbraw/zinc/06/48/39/557064839.db2.gz QEKBNAOQWLECCM-UHFFFAOYSA-N 0 0 408.498 5.579 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccc(F)cc1 ZINC000000707871 557064904 /nfs/dbraw/zinc/06/49/04/557064904.db2.gz KFTYTFONUYUQIO-UHFFFAOYSA-N 0 0 414.314 5.529 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@H](C)C3)c1 ZINC000000708180 568463983 /nfs/dbraw/zinc/46/39/83/568463983.db2.gz SKUKMBHVYXHKDG-HNNXBMFYSA-N 0 0 405.523 5.081 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@@H](C)C3)c1 ZINC000000708181 568463936 /nfs/dbraw/zinc/46/39/36/568463936.db2.gz SKUKMBHVYXHKDG-OAHLLOKOSA-N 0 0 405.523 5.081 50 0 HKAARN Cc1cccc(-n2c(CSc3nc4ccccc4[nH]3)nc3ccccc3c2=O)c1C ZINC000000708193 557064849 /nfs/dbraw/zinc/06/48/49/557064849.db2.gz ZECPZYXXCLSUCB-UHFFFAOYSA-N 0 0 412.518 5.171 50 0 HKAARN COc1cc(C(=S)N2CCC(C)CC2)ccc1OC(=O)c1cccc2ccccc21 ZINC000000708259 557064943 /nfs/dbraw/zinc/06/49/43/557064943.db2.gz SEPVRXZFRRZEIF-UHFFFAOYSA-N 0 0 419.546 5.475 50 0 HKAARN Cc1nnc(Sc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)s1 ZINC000000708281 557065027 /nfs/dbraw/zinc/06/50/27/557065027.db2.gz UPAIFSOYQYOELC-UHFFFAOYSA-N 0 0 421.555 5.287 50 0 HKAARN Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn2-c2ccccc2)c1 ZINC000000708348 557064926 /nfs/dbraw/zinc/06/49/26/557064926.db2.gz QORUXPMRTWGMIJ-UHFFFAOYSA-N 0 0 424.504 5.302 50 0 HKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cccc3ccccc32)c1 ZINC000000708485 557064932 /nfs/dbraw/zinc/06/49/32/557064932.db2.gz QCYCCTPJWSCCPT-VWLOTQADSA-N 0 0 423.512 5.802 50 0 HKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cccc3ccccc32)c1 ZINC000000708486 557065010 /nfs/dbraw/zinc/06/50/10/557065010.db2.gz QCYCCTPJWSCCPT-RUZDIDTESA-N 0 0 423.512 5.802 50 0 HKAARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000708540 557064883 /nfs/dbraw/zinc/06/48/83/557064883.db2.gz DPLVYADYWAAXLO-UHFFFAOYSA-N 0 0 413.473 5.434 50 0 HKAARN CC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000708541 557064972 /nfs/dbraw/zinc/06/49/72/557064972.db2.gz BTGLMZCVPPXMLT-UHFFFAOYSA-N 0 0 413.473 5.434 50 0 aggregator HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1OC(C)=O ZINC000000708545 557064843 /nfs/dbraw/zinc/06/48/43/557064843.db2.gz FRFBZFYWYVFZFH-UHFFFAOYSA-N 0 0 423.490 5.078 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000000708551 557065316 /nfs/dbraw/zinc/06/53/16/557065316.db2.gz LQTFYVXEBRWVIL-UHFFFAOYSA-N 0 0 402.475 5.392 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc(OC(C)=O)c1 ZINC000000708650 557065327 /nfs/dbraw/zinc/06/53/27/557065327.db2.gz STXZCXJLHUYINN-UHFFFAOYSA-N 0 0 423.490 5.078 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Br)o1 ZINC000000708652 569060224 /nfs/dbraw/zinc/06/02/24/569060224.db2.gz MLLICXSOCOZINC-UHFFFAOYSA-N 0 0 420.284 5.200 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(F)cc1)c1ccccc21 ZINC000000708680 557065257 /nfs/dbraw/zinc/06/52/57/557065257.db2.gz MLFIYIPBIJQPBQ-UHFFFAOYSA-N 0 0 405.425 5.175 50 0 HKAARN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1 ZINC000000709066 568463928 /nfs/dbraw/zinc/46/39/28/568463928.db2.gz KTBATBNTKBVAGP-GHRIWEEISA-N 0 0 424.323 5.168 50 0 HKAARN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1ccccc1F ZINC000000709071 557065583 /nfs/dbraw/zinc/06/55/83/557065583.db2.gz DCPRMHXXVONXOE-UHFFFAOYSA-N 0 0 413.470 5.382 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OC)cc1 ZINC000000709088 557065532 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O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000000709297 557065556 /nfs/dbraw/zinc/06/55/56/557065556.db2.gz MVNFAUPGPSNPTE-UHFFFAOYSA-N 0 0 421.456 5.767 50 0 HKAARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc(Br)c3ccccc3c2N1 ZINC000000709399 557065520 /nfs/dbraw/zinc/06/55/20/557065520.db2.gz DAJJETJGKGYCQP-AWEZNQCLSA-N 0 0 420.228 6.095 50 0 HKAARN O=C1C[C@H](c2ccccc2C(F)(F)F)c2cc(Br)c3ccccc3c2N1 ZINC000000709400 557065537 /nfs/dbraw/zinc/06/55/37/557065537.db2.gz DAJJETJGKGYCQP-CQSZACIVSA-N 0 0 420.228 6.095 50 0 HKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 ZINC000000709409 557065480 /nfs/dbraw/zinc/06/54/80/557065480.db2.gz RDECSRYBTOWCNS-UHFFFAOYSA-N 0 0 424.591 6.146 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c1 ZINC000000709518 557065494 /nfs/dbraw/zinc/06/54/94/557065494.db2.gz APDCDGYFVBROFL-OAHLLOKOSA-N 0 0 412.283 5.094 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c1 ZINC000000709519 557065574 /nfs/dbraw/zinc/06/55/74/557065574.db2.gz APDCDGYFVBROFL-HNNXBMFYSA-N 0 0 412.283 5.094 50 0 HKAARN CCOC(=O)c1c(C)n(Cc2ccc(OC)c(OC)c2)c2c1cc(O)c1ccccc21 ZINC000000709687 568463649 /nfs/dbraw/zinc/46/36/49/568463649.db2.gz VZRHVNMNORHWFD-UHFFFAOYSA-N 0 0 419.477 5.051 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1nc(-c2ccccc2)cs1)CCCC3 ZINC000000709688 557065880 /nfs/dbraw/zinc/06/58/80/557065880.db2.gz ODPCGWKCFUQNHF-UHFFFAOYSA-N 0 0 406.536 5.133 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000000710103 557065741 /nfs/dbraw/zinc/06/57/41/557065741.db2.gz LHZOBCWAGLSUDV-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000000710104 557065845 /nfs/dbraw/zinc/06/58/45/557065845.db2.gz LHZOBCWAGLSUDV-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000000710140 557065851 /nfs/dbraw/zinc/06/58/51/557065851.db2.gz PJUCDLPDUGTYOY-JOCHJYFZSA-N 0 0 407.901 5.293 50 0 HKAARN CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000000710141 557065816 /nfs/dbraw/zinc/06/58/16/557065816.db2.gz PJUCDLPDUGTYOY-QFIPXVFZSA-N 0 0 407.901 5.293 50 0 HKAARN Cc1cccc(Oc2coc3cc(OCC(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000000710142 569060205 /nfs/dbraw/zinc/06/02/05/569060205.db2.gz AKZXAPLNLPAANT-UHFFFAOYSA-N 0 0 408.450 5.148 50 0 biogenic HKAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000000710144 557065839 /nfs/dbraw/zinc/06/58/39/557065839.db2.gz VRCWUHYJVMLBHP-UHFFFAOYSA-N 0 0 402.519 5.640 50 0 HKAARN Cc1cc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2c2ccccc12 ZINC000000710203 557065721 /nfs/dbraw/zinc/06/57/21/557065721.db2.gz NTSHMPCMDBFQAU-UHFFFAOYSA-N 0 0 417.321 5.229 50 0 HKAARN COc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1OC ZINC000000710387 557065714 /nfs/dbraw/zinc/06/57/14/557065714.db2.gz JBCYJMBAXGQMJX-UHFFFAOYSA-N 0 0 422.531 5.351 50 0 HKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)OCCO2 ZINC000000710388 557065807 /nfs/dbraw/zinc/06/58/07/557065807.db2.gz XCNKXGJNADUDOC-UHFFFAOYSA-N 0 0 420.515 5.105 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc(OC(F)F)cc1 ZINC000000710407 557066161 /nfs/dbraw/zinc/06/61/61/557066161.db2.gz WJEFIOLWCQYLOH-UHFFFAOYSA-N 0 0 406.479 5.147 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)c(OC)cc1Br ZINC000000710661 557066039 /nfs/dbraw/zinc/06/60/39/557066039.db2.gz QIECPDBHUVTTDF-HNNXBMFYSA-N 0 0 412.283 5.094 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c(OC)cc1Br ZINC000000710662 557066075 /nfs/dbraw/zinc/06/60/75/557066075.db2.gz QIECPDBHUVTTDF-OAHLLOKOSA-N 0 0 412.283 5.094 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000000710841 557066108 /nfs/dbraw/zinc/06/61/08/557066108.db2.gz GINMUUGQTGCXMO-UHFFFAOYSA-N 0 0 422.488 6.642 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccccc2)cc(Oc2ccc(O)cc2)c1)c1ccccc1 ZINC000000710878 557066116 /nfs/dbraw/zinc/06/61/16/557066116.db2.gz UPULKBZOQOGAJM-UHFFFAOYSA-N 0 0 424.456 5.689 50 0 HKAARN COc1ccc(C(=O)Nc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1 ZINC000000710887 568465164 /nfs/dbraw/zinc/46/51/64/568465164.db2.gz GRVNJRYBZZCFFV-UHFFFAOYSA-N 0 0 411.457 6.532 50 0 HKAARN O=C(Nc1ccc(I)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000000710912 557066097 /nfs/dbraw/zinc/06/60/97/557066097.db2.gz DSKGHFHLPIVYKQ-UHFFFAOYSA-N 0 0 415.230 5.336 50 0 HKAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1Br ZINC000000711061 526437475 /nfs/dbraw/zinc/43/74/75/526437475.db2.gz ALGPEBDSLQSPDJ-UHFFFAOYSA-N 0 0 405.251 5.279 50 0 HKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000000711287 557066417 /nfs/dbraw/zinc/06/64/17/557066417.db2.gz UUEPLEXPZMVGMP-UHFFFAOYSA-N 0 0 415.234 5.199 50 0 HKAARN O=C(Nc1nc(COc2ccccc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000000711355 568465133 /nfs/dbraw/zinc/46/51/33/568465133.db2.gz SECQPAWWYKEKDH-UHFFFAOYSA-N 0 0 400.503 5.493 50 0 HKAARN CC(C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000000711765 557066393 /nfs/dbraw/zinc/06/63/93/557066393.db2.gz OEHJUEXRJWSZDI-LBPRGKRZSA-N 0 0 408.376 5.063 50 0 HKAARN CC(C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000000711768 557066540 /nfs/dbraw/zinc/06/65/40/557066540.db2.gz OEHJUEXRJWSZDI-GFCCVEGCSA-N 0 0 408.376 5.063 50 0 HKAARN Cc1ccc2c(c1)c1c(n2Cn2c3ccc(C)cc3c3c2C(=O)CCC3)C(=O)CCC1 ZINC000000712047 557066525 /nfs/dbraw/zinc/06/65/25/557066525.db2.gz YCILRNMLQKFSRR-UHFFFAOYSA-N 0 0 410.517 5.757 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000712306 557066765 /nfs/dbraw/zinc/06/67/65/557066765.db2.gz YZSXPRRCKFLQBU-UHFFFAOYSA-N 0 0 407.395 5.810 50 0 HKAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000000712309 568465434 /nfs/dbraw/zinc/46/54/34/568465434.db2.gz BOSXBNSOCHWWHO-XMMPIXPASA-N 0 0 400.909 5.918 50 0 HKAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000000712310 568465446 /nfs/dbraw/zinc/46/54/46/568465446.db2.gz BOSXBNSOCHWWHO-DEOSSOPVSA-N 0 0 400.909 5.918 50 0 HKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000000712316 568465395 /nfs/dbraw/zinc/46/53/95/568465395.db2.gz KNXNUTZHXPZENR-HSZRJFAPSA-N 0 0 421.327 6.263 50 0 HKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000000712317 568465346 /nfs/dbraw/zinc/46/53/46/568465346.db2.gz KNXNUTZHXPZENR-QHCPKHFHSA-N 0 0 421.327 6.263 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(Cl)ccc3Cl)cc12 ZINC000000712327 557066822 /nfs/dbraw/zinc/06/68/22/557066822.db2.gz HILDOLWLUNWAPI-UHFFFAOYSA-N 0 0 402.306 5.955 50 0 HKAARN COc1ccccc1Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000000712446 568465393 /nfs/dbraw/zinc/46/53/93/568465393.db2.gz GOOSRVFNJHKOTQ-UHFFFAOYSA-N 0 0 401.491 5.815 50 0 HKAARN COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2Cc2ccccc2)cc1 ZINC000000712683 291295446 /nfs/dbraw/zinc/29/54/46/291295446.db2.gz VJMHLVJMZJVISJ-UHFFFAOYSA-N 0 0 416.546 5.601 50 0 aggregator HKAARN Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1CC(=O)c1ccccc1 ZINC000000712687 568465387 /nfs/dbraw/zinc/46/53/87/568465387.db2.gz HGLVWNNQKAAXQH-UHFFFAOYSA-N 0 0 400.503 5.152 50 0 HKAARN COc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)Nc1ccc(C)cc1)n2C ZINC000000712868 557066728 /nfs/dbraw/zinc/06/67/28/557066728.db2.gz ZZLSHQKTTZKYCR-UHFFFAOYSA-N 0 0 416.546 5.828 50 0 HKAARN COc1cccc(C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1 ZINC000000713017 132231450 /nfs/dbraw/zinc/23/14/50/132231450.db2.gz HXHUJYWBFHSGAR-AVRWGWEMSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)c1 ZINC000000713020 132231470 /nfs/dbraw/zinc/23/14/70/132231470.db2.gz HXHUJYWBFHSGAR-IQGLISFBSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1 ZINC000000713021 132231487 /nfs/dbraw/zinc/23/14/87/132231487.db2.gz HXHUJYWBFHSGAR-BVZFJXPGSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)c1 ZINC000000713024 132231489 /nfs/dbraw/zinc/23/14/89/132231489.db2.gz HXHUJYWBFHSGAR-CJAUYULYSA-N 0 0 414.505 5.228 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)cc1 ZINC000000713038 557066973 /nfs/dbraw/zinc/06/69/73/557066973.db2.gz CIIUNCQUPDHRHU-HNNXBMFYSA-N 0 0 424.884 5.007 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)cc1 ZINC000000713040 557066927 /nfs/dbraw/zinc/06/69/27/557066927.db2.gz CIIUNCQUPDHRHU-OAHLLOKOSA-N 0 0 424.884 5.007 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000713047 557066906 /nfs/dbraw/zinc/06/69/06/557066906.db2.gz VICXSUPOUGJWPB-AWEZNQCLSA-N 0 0 412.848 5.137 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000713049 557066981 /nfs/dbraw/zinc/06/69/81/557066981.db2.gz VICXSUPOUGJWPB-CQSZACIVSA-N 0 0 412.848 5.137 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1C ZINC000000713063 557067021 /nfs/dbraw/zinc/06/70/21/557067021.db2.gz TWWLOKISSDKWPI-QGZVFWFLSA-N 0 0 422.912 5.615 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1C ZINC000000713065 557066940 /nfs/dbraw/zinc/06/69/40/557066940.db2.gz TWWLOKISSDKWPI-KRWDZBQOSA-N 0 0 422.912 5.615 50 0 HKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000713436 557066984 /nfs/dbraw/zinc/06/69/84/557066984.db2.gz LGMBHOSCGBSFSW-FGEXJBCWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000000713437 557066991 /nfs/dbraw/zinc/06/69/91/557066991.db2.gz LGMBHOSCGBSFSW-ZQFKLAOWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000713438 557067286 /nfs/dbraw/zinc/06/72/86/557067286.db2.gz LGMBHOSCGBSFSW-QQNJPBSNSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000713439 557067367 /nfs/dbraw/zinc/06/73/67/557067367.db2.gz LGMBHOSCGBSFSW-VUUXHMSQSA-N 0 0 413.904 5.219 50 0 HKAARN O=C(C=Cc1ccc2c3c(cccc31)CC2)OCC(=O)c1ccc(Br)cc1 ZINC000000713460 557067388 /nfs/dbraw/zinc/06/73/88/557067388.db2.gz PPBOMHAFKFTLNV-JLHYYAGUSA-N 0 0 421.290 5.140 50 0 HKAARN O=S(=O)(c1ccc2ccccc2c1)n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000713463 557067314 /nfs/dbraw/zinc/06/73/14/557067314.db2.gz KYCZXUHLTHAYMH-UHFFFAOYSA-N 0 0 410.498 5.607 50 0 HKAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000000713745 132231477 /nfs/dbraw/zinc/23/14/77/132231477.db2.gz KVMLEDCPNBHZLR-FQEVSTJZSA-N 0 0 409.283 5.229 50 0 HKAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000000713746 536893916 /nfs/dbraw/zinc/89/39/16/536893916.db2.gz KVMLEDCPNBHZLR-HXUWFJFHSA-N 0 0 409.283 5.229 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000000713762 132231451 /nfs/dbraw/zinc/23/14/51/132231451.db2.gz BDBNAQFDRAHHEQ-NRFANRHFSA-N 0 0 423.310 5.619 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 ZINC000000713763 132231441 /nfs/dbraw/zinc/23/14/41/132231441.db2.gz BDBNAQFDRAHHEQ-OAQYLSRUSA-N 0 0 423.310 5.619 50 0 HKAARN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c21 ZINC000000714283 557067282 /nfs/dbraw/zinc/06/72/82/557067282.db2.gz GTSOPAPIWWZVDW-UHFFFAOYSA-N 0 0 419.350 5.477 50 0 HKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000714368 558829439 /nfs/dbraw/zinc/82/94/39/558829439.db2.gz SWTPSDIDUXZIFY-JQFUVSSDSA-N 0 0 409.316 6.323 50 0 HKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000000714370 558829472 /nfs/dbraw/zinc/82/94/72/558829472.db2.gz SWTPSDIDUXZIFY-MJGOQDMVSA-N 0 0 409.316 6.323 50 0 HKAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1Cl ZINC000000714463 557067302 /nfs/dbraw/zinc/06/73/02/557067302.db2.gz FGDBWYSSUJAWKE-UHFFFAOYSA-N 0 0 403.931 5.119 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000000714672 132231466 /nfs/dbraw/zinc/23/14/66/132231466.db2.gz QBYDTHQAHZGWEC-QHCPKHFHSA-N 0 0 416.477 5.033 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC)cc2)cc1 ZINC000000714673 132231460 /nfs/dbraw/zinc/23/14/60/132231460.db2.gz QBYDTHQAHZGWEC-HSZRJFAPSA-N 0 0 416.477 5.033 50 0 HKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(C)cc1 ZINC000000714847 557067557 /nfs/dbraw/zinc/06/75/57/557067557.db2.gz BEJWHJVLHRINDI-UHFFFAOYSA-N 0 0 422.506 5.046 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2cccc(F)c2)cc1 ZINC000000714993 557067564 /nfs/dbraw/zinc/06/75/64/557067564.db2.gz YSJWKBFOYSMCMR-RCCKNPSSSA-N 0 0 422.525 5.594 50 0 HKAARN O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000000715040 568465824 /nfs/dbraw/zinc/46/58/24/568465824.db2.gz YIIBFZHBQVQVAO-UHFFFAOYSA-N 0 0 410.351 5.531 50 0 HKAARN Cc1ccc(N2C(N)=C(C(N)=O)[C@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3)cc1 ZINC000000715077 132231605 /nfs/dbraw/zinc/23/16/05/132231605.db2.gz CXGNLQHEQRGCBN-OAQYLSRUSA-N 0 0 421.972 5.372 50 0 HKAARN Cc1ccc(N2C(N)=C(C(N)=O)[C@@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3)cc1 ZINC000000715078 132231597 /nfs/dbraw/zinc/23/15/97/132231597.db2.gz CXGNLQHEQRGCBN-NRFANRHFSA-N 0 0 421.972 5.372 50 0 HKAARN COc1ccc(OC)c(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1 ZINC000000715107 557067498 /nfs/dbraw/zinc/06/74/98/557067498.db2.gz LSIBCNNOKQTVSD-JOCHJYFZSA-N 0 0 401.506 5.265 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Br)c2)cc1 ZINC000000715198 132231651 /nfs/dbraw/zinc/23/16/51/132231651.db2.gz DEUDBEKAXGPTPN-NRFANRHFSA-N 0 0 423.310 5.619 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Br)c2)cc1 ZINC000000715199 132231631 /nfs/dbraw/zinc/23/16/31/132231631.db2.gz DEUDBEKAXGPTPN-OAQYLSRUSA-N 0 0 423.310 5.619 50 0 HKAARN Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000000715402 557067955 /nfs/dbraw/zinc/06/79/55/557067955.db2.gz LHKIYYIHAXSDFD-UHFFFAOYSA-N 0 0 414.457 5.509 50 0 biogenic HKAARN Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)N2CCCCCC2)cc1 ZINC000000715760 557067878 /nfs/dbraw/zinc/06/78/78/557067878.db2.gz XJMRVBVINXCUNM-NCELDCMTSA-N 0 0 412.533 5.322 50 0 HKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000000715924 568465732 /nfs/dbraw/zinc/46/57/32/568465732.db2.gz WNBLHMDZOXRIBL-UHFFFAOYSA-N 0 0 423.925 5.923 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 ZINC000000715926 557067940 /nfs/dbraw/zinc/06/79/40/557067940.db2.gz FEEVQEIYDAQFNS-UHFFFAOYSA-N 0 0 417.534 5.886 50 0 HKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000000715949 568465774 /nfs/dbraw/zinc/46/57/74/568465774.db2.gz SICKAZXUPAPMBN-UHFFFAOYSA-N 0 0 423.925 5.923 50 0 HKAARN Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 ZINC000000715950 568465797 /nfs/dbraw/zinc/46/57/97/568465797.db2.gz ZPTIEZOOIFCELZ-UHFFFAOYSA-N 0 0 403.507 5.578 50 0 HKAARN Nc1nc(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c21)CCCCC3 ZINC000000715968 557067948 /nfs/dbraw/zinc/06/79/48/557067948.db2.gz UAGLXIWKMPQPPR-UHFFFAOYSA-N 0 0 403.960 5.171 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000000716315 557068041 /nfs/dbraw/zinc/06/80/41/557068041.db2.gz QYKCFJREEHPXAM-GOSISDBHSA-N 0 0 411.329 5.277 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000000716316 557068025 /nfs/dbraw/zinc/06/80/25/557068025.db2.gz QYKCFJREEHPXAM-SFHVURJKSA-N 0 0 411.329 5.277 50 0 HKAARN CC1CCN(Cn2nc(COc3ccc(C4CCCCC4)cc3)n(C)c2=S)CC1 ZINC000000716352 557068170 /nfs/dbraw/zinc/06/81/70/557068170.db2.gz PFXKZKMVXWUXDR-UHFFFAOYSA-N 0 0 414.619 5.267 50 0 HKAARN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 ZINC000000716527 557068058 /nfs/dbraw/zinc/06/80/58/557068058.db2.gz OHQGMZAHHNDCPI-UHFFFAOYSA-N 0 0 420.490 5.528 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccc(C)cc3)sc3c2CCC3)cc1 ZINC000000716647 557068153 /nfs/dbraw/zinc/06/81/53/557068153.db2.gz OZPJCRRBXXKDGZ-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN O=C(Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl ZINC000000716736 557068148 /nfs/dbraw/zinc/06/81/48/557068148.db2.gz FCXOYESSYJZCAL-UHFFFAOYSA-N 0 0 423.919 5.771 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Cl)cc1 ZINC000000716796 568465825 /nfs/dbraw/zinc/46/58/25/568465825.db2.gz LRQSNDMCVADVKH-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000716900 557068459 /nfs/dbraw/zinc/06/84/59/557068459.db2.gz QAYPNOUDDNDCLS-QZTJIDSGSA-N 0 0 401.510 5.887 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000716901 557068376 /nfs/dbraw/zinc/06/83/76/557068376.db2.gz QAYPNOUDDNDCLS-ROUUACIJSA-N 0 0 401.510 5.887 50 0 HKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccccc1F ZINC000000716960 557068394 /nfs/dbraw/zinc/06/83/94/557068394.db2.gz XELUETZJHNGMIT-UHFFFAOYSA-N 0 0 405.498 5.149 50 0 HKAARN Cc1ccc(NC(=O)C[C@@]2(C)Nc3ccccc3C(=O)N2c2ccccc2C)c(C)c1 ZINC000000717055 132231646 /nfs/dbraw/zinc/23/16/46/132231646.db2.gz JWRRTADPEFNNOA-SANMLTNESA-N 0 0 413.521 5.429 50 0 HKAARN Cc1ccc(NC(=O)C[C@]2(C)Nc3ccccc3C(=O)N2c2ccccc2C)c(C)c1 ZINC000000717056 132231606 /nfs/dbraw/zinc/23/16/06/132231606.db2.gz JWRRTADPEFNNOA-AREMUKBSSA-N 0 0 413.521 5.429 50 0 HKAARN COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c21 ZINC000000717105 557068466 /nfs/dbraw/zinc/06/84/66/557068466.db2.gz LLTITMRMPCSHOW-UHFFFAOYSA-N 0 0 403.507 5.312 50 0 HKAARN Fc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000000717285 132231609 /nfs/dbraw/zinc/23/16/09/132231609.db2.gz LNJAALUXDFNSEJ-UHFFFAOYSA-N 0 0 417.859 5.017 50 0 HKAARN c1ccc(-c2noc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n2)cc1 ZINC000000717328 557068758 /nfs/dbraw/zinc/06/87/58/557068758.db2.gz ZYBZBOQCAJQDBE-UHFFFAOYSA-N 0 0 410.502 6.086 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c1 ZINC000000717496 557068769 /nfs/dbraw/zinc/06/87/69/557068769.db2.gz BGIXBLOTMITKKC-OAHLLOKOSA-N 0 0 419.546 6.128 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c1 ZINC000000717497 557068740 /nfs/dbraw/zinc/06/87/40/557068740.db2.gz BGIXBLOTMITKKC-HNNXBMFYSA-N 0 0 419.546 6.128 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2ccccc2C)c2c1cc(O)c1ccccc21 ZINC000000717642 557068710 /nfs/dbraw/zinc/06/87/10/557068710.db2.gz VRWPAMHSSMLFEP-UHFFFAOYSA-N 0 0 403.478 5.373 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2cccc(OC)c2)c2c1cc(O)c1ccccc21 ZINC000000717643 568465862 /nfs/dbraw/zinc/46/58/62/568465862.db2.gz WJVUPOUYPBUISN-UHFFFAOYSA-N 0 0 419.477 5.073 50 0 HKAARN COC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000000717646 568465868 /nfs/dbraw/zinc/46/58/68/568465868.db2.gz KPSSTTVIDKBBRU-UHFFFAOYSA-N 0 0 401.506 5.941 50 0 HKAARN COc1ccc2cc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)c(Cl)nc2c1 ZINC000000717647 132231582 /nfs/dbraw/zinc/23/15/82/132231582.db2.gz RHGIAUDSHVHYIO-QHCPKHFHSA-N 0 0 415.880 5.668 50 0 HKAARN COc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)c(Cl)nc2c1 ZINC000000717648 132231592 /nfs/dbraw/zinc/23/15/92/132231592.db2.gz RHGIAUDSHVHYIO-HSZRJFAPSA-N 0 0 415.880 5.668 50 0 HKAARN COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717819 557068777 /nfs/dbraw/zinc/06/87/77/557068777.db2.gz OWARUCZVWUVZCG-GOTSBHOMSA-N 0 0 423.896 5.201 50 0 HKAARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717820 557068660 /nfs/dbraw/zinc/06/86/60/557068660.db2.gz OWARUCZVWUVZCG-DHIUTWEWSA-N 0 0 423.896 5.201 50 0 HKAARN COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000000717821 557068715 /nfs/dbraw/zinc/06/87/15/557068715.db2.gz OWARUCZVWUVZCG-PKTZIBPZSA-N 0 0 423.896 5.201 50 0 HKAARN COc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717823 557068734 /nfs/dbraw/zinc/06/87/34/557068734.db2.gz HZISXYCFMQXQMF-RPBOFIJWSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717824 557068637 /nfs/dbraw/zinc/06/86/37/557068637.db2.gz HZISXYCFMQXQMF-JWQCQUIFSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717825 557068647 /nfs/dbraw/zinc/06/86/47/557068647.db2.gz HZISXYCFMQXQMF-DQEYMECFSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717826 557068708 /nfs/dbraw/zinc/06/87/08/557068708.db2.gz HZISXYCFMQXQMF-LOSJGSFVSA-N 0 0 417.505 5.165 50 0 HKAARN CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@@H](c2ccc(Br)cc2)OC1=O ZINC000000717939 557069033 /nfs/dbraw/zinc/06/90/33/557069033.db2.gz CTGVFOIXEATLQC-GOSISDBHSA-N 0 0 415.283 5.204 50 0 aggregator HKAARN CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccc(Br)cc2)OC1=O ZINC000000717941 557069129 /nfs/dbraw/zinc/06/91/29/557069129.db2.gz CTGVFOIXEATLQC-SFHVURJKSA-N 0 0 415.283 5.204 50 0 aggregator HKAARN CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1O ZINC000000717969 568465911 /nfs/dbraw/zinc/46/59/11/568465911.db2.gz BEJYSVKSOAUXDA-OAHLLOKOSA-N 0 0 412.283 5.181 50 0 HKAARN CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1O ZINC000000717970 568465893 /nfs/dbraw/zinc/46/58/93/568465893.db2.gz BEJYSVKSOAUXDA-HNNXBMFYSA-N 0 0 412.283 5.181 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2ccc(CC)cc2)c2c1cc(O)c1ccccc21 ZINC000000718040 568465854 /nfs/dbraw/zinc/46/58/54/568465854.db2.gz VVWGGKJJRFJQMM-UHFFFAOYSA-N 0 0 417.505 5.627 50 0 HKAARN O=C(Nc1c2cc(Cl)ccc2oc1C(=O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000000718380 568465834 /nfs/dbraw/zinc/46/58/34/568465834.db2.gz PBEPMGCXOXYURE-UHFFFAOYSA-N 0 0 407.775 5.950 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000718388 557069148 /nfs/dbraw/zinc/06/91/48/557069148.db2.gz OEYIDZVNSLRRBG-UHFFFAOYSA-N 0 0 418.849 5.579 50 0 HKAARN Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1cccc(F)c1)CC(C)(C)CC2=O ZINC000000718597 568465828 /nfs/dbraw/zinc/46/58/28/568465828.db2.gz BKNJJZFYPBVNDW-UHFFFAOYSA-N 0 0 402.724 5.993 50 0 HKAARN CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(OC(F)(F)F)cc2)S1 ZINC000000718748 568465969 /nfs/dbraw/zinc/46/59/69/568465969.db2.gz DBPNKGRDTJRXMJ-UHFFFAOYSA-N 0 0 409.433 5.505 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000718933 557069383 /nfs/dbraw/zinc/06/93/83/557069383.db2.gz PMDJFNLIPNDQAZ-UHFFFAOYSA-N 0 0 414.742 5.593 50 0 HKAARN C[C@H]1CC(C)(C)N(C(=O)c2cccs2)c2ccc(OC(=O)c3cccs3)cc21 ZINC000000718946 132231821 /nfs/dbraw/zinc/23/18/21/132231821.db2.gz SMGQCDJQWXTTTO-AWEZNQCLSA-N 0 0 411.548 5.961 50 0 HKAARN C[C@@H]1CC(C)(C)N(C(=O)c2cccs2)c2ccc(OC(=O)c3cccs3)cc21 ZINC000000718947 132231813 /nfs/dbraw/zinc/23/18/13/132231813.db2.gz SMGQCDJQWXTTTO-CQSZACIVSA-N 0 0 411.548 5.961 50 0 HKAARN O=C(Oc1ccc(Oc2ccc(-c3noc(-c4ccco4)n3)cc2)cc1)c1ccco1 ZINC000000718988 568465925 /nfs/dbraw/zinc/46/59/25/568465925.db2.gz DNLJYKMXXYZNGY-UHFFFAOYSA-N 0 0 414.373 5.601 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)NC1(c2ccccc2)CC1 ZINC000000719024 568465951 /nfs/dbraw/zinc/46/59/51/568465951.db2.gz SJRUNRDCOBAHKS-UHFFFAOYSA-N 0 0 405.885 5.403 50 0 HKAARN COc1cc(C(=O)Nc2cccc(C)n2)ccc1OCc1c(Cl)cccc1Cl ZINC000000719071 568465962 /nfs/dbraw/zinc/46/59/62/568465962.db2.gz QDHBQNGTQHDWEH-UHFFFAOYSA-N 0 0 417.292 5.537 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1)CCCC3 ZINC000000719357 557069319 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CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000000719541 557069326 /nfs/dbraw/zinc/06/93/26/557069326.db2.gz GZOPCUIMKQFGMM-OAHLLOKOSA-N 0 0 404.418 5.069 50 0 HKAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000000719545 557069364 /nfs/dbraw/zinc/06/93/64/557069364.db2.gz VMIHFBXNSJVCEU-MRXNPFEDSA-N 0 0 418.445 5.457 50 0 HKAARN CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000000719546 557069283 /nfs/dbraw/zinc/06/92/83/557069283.db2.gz VMIHFBXNSJVCEU-INIZCTEOSA-N 0 0 418.445 5.457 50 0 HKAARN Cc1ccc(C)n1-n1cnc2scc(-c3ccc(Cc4ccccc4)cc3)c2c1=O ZINC000000719558 557069417 /nfs/dbraw/zinc/06/94/17/557069417.db2.gz IAKPTQXCYJKTJI-UHFFFAOYSA-N 0 0 411.530 5.446 50 0 HKAARN O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000000719574 557069448 /nfs/dbraw/zinc/06/94/48/557069448.db2.gz PJOXULQBGFAZOV-AWEZNQCLSA-N 0 0 409.319 5.027 50 0 HKAARN CCOc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)sc2c1 ZINC000000719579 535445921 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/nfs/dbraw/zinc/06/97/21/557069721.db2.gz AWEMJCHBVKGAFA-GOTSBHOMSA-N 0 0 423.896 5.201 50 0 HKAARN CCOC(=O)c1cc(C(C)=O)c2c(-c3ccc4ccccc4n3)cc3ccccc3n12 ZINC000000720394 568466602 /nfs/dbraw/zinc/46/66/02/568466602.db2.gz BTEVYMZDEBKCQU-UHFFFAOYSA-N 0 0 408.457 5.687 50 0 HKAARN CCOc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)C2CC2)cc1OCC ZINC000000720419 568466606 /nfs/dbraw/zinc/46/66/06/568466606.db2.gz XIOFLKLDDKQHKL-UHFFFAOYSA-N 0 0 407.466 5.004 50 0 HKAARN Cc1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccc(OC(F)(F)Cl)cc2)n1 ZINC000000720461 568466634 /nfs/dbraw/zinc/46/66/34/568466634.db2.gz YEBSASAWVNBCDW-UHFFFAOYSA-N 0 0 410.783 5.132 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccco1)N(Cc1ccccc1)C3=O ZINC000000720579 568466752 /nfs/dbraw/zinc/46/67/52/568466752.db2.gz LTDBXUIYVWMTOV-NRFANRHFSA-N 0 0 419.506 5.111 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccco1)N(Cc1ccccc1)C3=O ZINC000000720580 568466749 /nfs/dbraw/zinc/46/67/49/568466749.db2.gz LTDBXUIYVWMTOV-OAQYLSRUSA-N 0 0 419.506 5.111 50 0 HKAARN COc1ccc([C@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000720674 557070035 /nfs/dbraw/zinc/07/00/35/557070035.db2.gz ZXNWFRRLSSTQHE-LOSJGSFVSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000720675 557070026 /nfs/dbraw/zinc/07/00/26/557070026.db2.gz ZXNWFRRLSSTQHE-DQEYMECFSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000000720676 557069969 /nfs/dbraw/zinc/06/99/69/557069969.db2.gz ZXNWFRRLSSTQHE-JWQCQUIFSA-N 0 0 417.505 5.165 50 0 HKAARN COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000000720882 557070327 /nfs/dbraw/zinc/07/03/27/557070327.db2.gz NOEUDAKVVNDGJH-HSZRJFAPSA-N 0 0 410.477 5.081 50 0 HKAARN COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000000720883 557070366 /nfs/dbraw/zinc/07/03/66/557070366.db2.gz NOEUDAKVVNDGJH-QHCPKHFHSA-N 0 0 410.477 5.081 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)nc(SCC3=NC(C)(C)Cc4ccccc43)n2)cc1 ZINC000000720895 568466370 /nfs/dbraw/zinc/46/63/70/568466370.db2.gz VYPGHBXGBXYBKQ-UHFFFAOYSA-N 0 0 423.532 6.306 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000000720950 557070286 /nfs/dbraw/zinc/07/02/86/557070286.db2.gz OCPKLKSFUUJLEE-UHFFFAOYSA-N 0 0 424.891 5.969 50 0 HKAARN Cc1c(C(=O)c2ccc(Br)cc2)sc2nc3cc(F)c(F)cc3n12 ZINC000000721134 557070572 /nfs/dbraw/zinc/07/05/72/557070572.db2.gz VFVDTMVGMZXTKS-UHFFFAOYSA-N 0 0 407.239 5.129 50 0 HKAARN ON1C(c2ccc(Cl)cc2)=NN=C(c2ccccc2)[C@@H]1c1c[nH]c2ccccc21 ZINC000000721162 557070669 /nfs/dbraw/zinc/07/06/69/557070669.db2.gz ULOPVXGEEVJUFQ-QFIPXVFZSA-N 0 0 400.869 5.418 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H]1C(c2ccccc2)=NN=C(c2ccc(Cl)cc2)N1O ZINC000000721164 557070653 /nfs/dbraw/zinc/07/06/53/557070653.db2.gz ZWIGUWJWTOFAJQ-QHCPKHFHSA-N 0 0 414.896 5.727 50 0 HKAARN COc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000000721431 557070612 /nfs/dbraw/zinc/07/06/12/557070612.db2.gz YSRDUUMPSBWZMO-UHFFFAOYSA-N 0 0 413.868 5.207 50 0 HKAARN O=C1/C(=C\c2cnn(-c3ccccc3)c2)CCC/C1=C/c1cnn(-c2ccccc2)c1 ZINC000000721474 558830794 /nfs/dbraw/zinc/83/07/94/558830794.db2.gz IQYBOOMYTGLRJE-VMTNTFKOSA-N 0 0 406.489 5.278 50 0 HKAARN O=C1CC[C@@H](c2ccccc2)c2cc(Oc3c(F)c(F)nc(F)c3Cl)ccc21 ZINC000000721928 571041426 /nfs/dbraw/zinc/04/14/26/571041426.db2.gz ZOBOUTQIYXRUTD-ZDUSSCGKSA-N 0 0 403.787 6.053 50 0 HKAARN O=C1SCC(c2ccc(Cl)cc2Cl)=NN1Cc1nnc(-c2ccccc2)o1 ZINC000000721930 571041380 /nfs/dbraw/zinc/04/13/80/571041380.db2.gz KQWZYIZDIUVUJE-UHFFFAOYSA-N 0 0 419.293 5.117 50 0 HKAARN COc1ccc(N(C=O)[C@@H](C(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1 ZINC000000722041 557070861 /nfs/dbraw/zinc/07/08/61/557070861.db2.gz CWWAOMFFPKZYCZ-HSZRJFAPSA-N 0 0 422.912 5.308 50 0 HKAARN COc1ccc(N(C=O)[C@H](C(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1 ZINC000000722042 557070828 /nfs/dbraw/zinc/07/08/28/557070828.db2.gz CWWAOMFFPKZYCZ-QHCPKHFHSA-N 0 0 422.912 5.308 50 0 HKAARN COC(=O)NC(=S)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000722128 557070935 /nfs/dbraw/zinc/07/09/35/557070935.db2.gz RXSUCXKFFINDGA-UHFFFAOYSA-N 0 0 405.690 5.492 50 0 HKAARN CC(=O)Nc1ccc(C2=NN(Cc3ccc(Cl)c(Cl)c3)C(=O)SC2)cc1 ZINC000000722266 571041361 /nfs/dbraw/zinc/04/13/61/571041361.db2.gz CFARWJMUUMFDFN-UHFFFAOYSA-N 0 0 408.310 5.025 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)c1 ZINC000000722304 557070982 /nfs/dbraw/zinc/07/09/82/557070982.db2.gz TYJAJABNZSXHIC-UHFFFAOYSA-N 0 0 404.535 5.369 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000000722305 557070991 /nfs/dbraw/zinc/07/09/91/557070991.db2.gz HURYGULCOZHDKZ-UHFFFAOYSA-N 0 0 404.535 5.369 50 0 HKAARN COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 ZINC000000722306 557071017 /nfs/dbraw/zinc/07/10/17/557071017.db2.gz IOWHGWVFMQZSTL-UHFFFAOYSA-N 0 0 420.534 5.069 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000000722323 557071123 /nfs/dbraw/zinc/07/11/23/557071123.db2.gz VZAJPEDOXGTJOH-INIZCTEOSA-N 0 0 404.535 5.306 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000000722324 557071168 /nfs/dbraw/zinc/07/11/68/557071168.db2.gz VZAJPEDOXGTJOH-MRXNPFEDSA-N 0 0 404.535 5.306 50 0 HKAARN COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000000722330 557071225 /nfs/dbraw/zinc/07/12/25/557071225.db2.gz VJWQKXRDAJMJJH-UHFFFAOYSA-N 0 0 420.534 5.069 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 ZINC000000722334 557071130 /nfs/dbraw/zinc/07/11/30/557071130.db2.gz RLHYZODIWVGKTC-UHFFFAOYSA-N 0 0 420.534 5.069 50 0 HKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccccc1C)CCCC2 ZINC000000722349 557071125 /nfs/dbraw/zinc/07/11/25/557071125.db2.gz YODIGAUWDIEWIM-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCCC3)c(C)c1 ZINC000000722364 557071159 /nfs/dbraw/zinc/07/11/59/557071159.db2.gz BYXXEJXNSMFKLB-UHFFFAOYSA-N 0 0 410.461 5.387 50 0 HKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCCC3)c(C)c1 ZINC000000722365 557071234 /nfs/dbraw/zinc/07/12/34/557071234.db2.gz 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ZINC000000724627 557072769 /nfs/dbraw/zinc/07/27/69/557072769.db2.gz GZWSVZYVBCCEIH-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1C ZINC000000724628 557072785 /nfs/dbraw/zinc/07/27/85/557072785.db2.gz LCNSQADBZWLREA-UHFFFAOYSA-N 0 0 419.481 5.378 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(F)cc3)ccc2o1 ZINC000000724629 557072717 /nfs/dbraw/zinc/07/27/17/557072717.db2.gz OJXBTEFUJUKRCX-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3)oc2c(C)c1 ZINC000000724630 557072721 /nfs/dbraw/zinc/07/27/21/557072721.db2.gz QGPAAKMMLAKYFY-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)nc2c1 ZINC000000724654 557072728 /nfs/dbraw/zinc/07/27/28/557072728.db2.gz NMDCENBTMXSYPQ-UHFFFAOYSA-N 0 0 415.518 5.492 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1C ZINC000000724697 557072780 /nfs/dbraw/zinc/07/27/80/557072780.db2.gz UZVHAUVYYHHSIT-UHFFFAOYSA-N 0 0 407.520 5.300 50 0 HKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000724738 557072776 /nfs/dbraw/zinc/07/27/76/557072776.db2.gz JGKIUPLDZUJJDY-UHFFFAOYSA-N 0 0 400.931 6.015 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2ccccc21 ZINC000000724749 557072714 /nfs/dbraw/zinc/07/27/14/557072714.db2.gz QPLFBWKWRDSGJR-UHFFFAOYSA-N 0 0 405.306 5.282 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000000724765 557072704 /nfs/dbraw/zinc/07/27/04/557072704.db2.gz LZUQNNWUDZRJPF-UHFFFAOYSA-N 0 0 417.962 5.329 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000000724769 557072737 /nfs/dbraw/zinc/07/27/37/557072737.db2.gz RBJWWDIZPGJOFG-UHFFFAOYSA-N 0 0 402.922 5.394 50 0 HKAARN CC(=O)N1c2ccc(NC(=O)C(F)(F)F)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000000725071 132232102 /nfs/dbraw/zinc/23/21/02/132232102.db2.gz ARWKEHPZVPYGDT-NRFANRHFSA-N 0 0 404.432 5.029 50 0 HKAARN CC(=O)N1c2ccc(NC(=O)C(F)(F)F)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000000725073 132232143 /nfs/dbraw/zinc/23/21/43/132232143.db2.gz ARWKEHPZVPYGDT-OAQYLSRUSA-N 0 0 404.432 5.029 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000000725323 557073065 /nfs/dbraw/zinc/07/30/65/557073065.db2.gz HIARSAXLSJWBIW-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN Cc1cc(-c2nc3ccccc3o2)ccc1NC(=O)c1cccc(Br)c1 ZINC000000725333 557073000 /nfs/dbraw/zinc/07/30/00/557073000.db2.gz IORWJBPLKVEAAY-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN CCOC(=O)c1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000000725479 557073010 /nfs/dbraw/zinc/07/30/10/557073010.db2.gz PQZZCRVRJKBOSC-UHFFFAOYSA-N 0 0 403.301 5.493 50 0 HKAARN O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000000725860 557073021 /nfs/dbraw/zinc/07/30/21/557073021.db2.gz PMYKKZJVHDPNMQ-GFCCVEGCSA-N 0 0 402.492 5.125 50 0 HKAARN O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000000725861 557073071 /nfs/dbraw/zinc/07/30/71/557073071.db2.gz PMYKKZJVHDPNMQ-LBPRGKRZSA-N 0 0 402.492 5.125 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl ZINC000000725950 132232110 /nfs/dbraw/zinc/23/21/10/132232110.db2.gz FZVBKTHURJKGCV-LAUBAEHRSA-N 0 0 406.913 5.697 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl ZINC000000725951 132232134 /nfs/dbraw/zinc/23/21/34/132232134.db2.gz FZVBKTHURJKGCV-DYESRHJHSA-N 0 0 406.913 5.697 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl ZINC000000725953 132232150 /nfs/dbraw/zinc/23/21/50/132232150.db2.gz FZVBKTHURJKGCV-UTKZUKDTSA-N 0 0 406.913 5.697 50 0 HKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000726173 557073292 /nfs/dbraw/zinc/07/32/92/557073292.db2.gz KVNVEPVKMMWBPA-XBXARRHUSA-N 0 0 407.297 5.832 50 0 HKAARN O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000000726199 557073243 /nfs/dbraw/zinc/07/32/43/557073243.db2.gz VZMQDYBCWOKSNV-UHFFFAOYSA-N 0 0 402.064 5.083 50 0 HKAARN COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CC[C@H](C)C2 ZINC000000726285 557073357 /nfs/dbraw/zinc/07/33/57/557073357.db2.gz HFAYACXLNIOWOB-AWEZNQCLSA-N 0 0 415.555 5.109 50 0 HKAARN COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000000726286 557073282 /nfs/dbraw/zinc/07/32/82/557073282.db2.gz HFAYACXLNIOWOB-CQSZACIVSA-N 0 0 415.555 5.109 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)cc1 ZINC000000726289 557073310 /nfs/dbraw/zinc/07/33/10/557073310.db2.gz OSYRBICKLVXZMA-UHFFFAOYSA-N 0 0 417.328 5.207 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)COc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000000726290 557073353 /nfs/dbraw/zinc/07/33/53/557073353.db2.gz JUXWNTJAYLWDKF-UHFFFAOYSA-N 0 0 400.503 5.803 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000000726748 557073248 /nfs/dbraw/zinc/07/32/48/557073248.db2.gz OSSWKPISFFHCIS-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nc2c1 ZINC000000726755 557073306 /nfs/dbraw/zinc/07/33/06/557073306.db2.gz OOOUFJXQYUJBTN-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 ZINC000000726756 557073317 /nfs/dbraw/zinc/07/33/17/557073317.db2.gz HEKNNHYRUDGSSW-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000000726885 557073348 /nfs/dbraw/zinc/07/33/48/557073348.db2.gz SYDLYYCWQWCKKB-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(SC)cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000726919 557073554 /nfs/dbraw/zinc/07/35/54/557073554.db2.gz AOXQGLBHOPCVBD-UHFFFAOYSA-N 0 0 402.519 6.150 50 0 HKAARN Ic1cccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)c1 ZINC000000726959 568466730 /nfs/dbraw/zinc/46/67/30/568466730.db2.gz UHPAZXATRDICRL-UHFFFAOYSA-N 0 0 402.191 5.201 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000726960 557073567 /nfs/dbraw/zinc/07/35/67/557073567.db2.gz BFOADEHYDMHDRC-UHFFFAOYSA-N 0 0 422.819 5.382 50 0 HKAARN C[C@@]12C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727016 557073647 /nfs/dbraw/zinc/07/36/47/557073647.db2.gz MDZKOQLKYCEYQD-KNMGBQSGSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@]12C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727017 557073586 /nfs/dbraw/zinc/07/35/86/557073586.db2.gz MDZKOQLKYCEYQD-CNZZAIDXSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@@]12C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727018 557073609 /nfs/dbraw/zinc/07/36/09/557073609.db2.gz MDZKOQLKYCEYQD-JWVISUDPSA-N 0 0 415.492 5.627 50 0 HKAARN C[C@]12C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000727019 557073642 /nfs/dbraw/zinc/07/36/42/557073642.db2.gz MDZKOQLKYCEYQD-RVKJJEMLSA-N 0 0 415.492 5.627 50 0 HKAARN O=C(Oc1ccccc1-c1ccccc1OC(=O)c1cccs1)c1cccs1 ZINC000000727025 557073670 /nfs/dbraw/zinc/07/36/70/557073670.db2.gz XOEXCWOLZRJEEE-UHFFFAOYSA-N 0 0 406.484 5.915 50 0 HKAARN Clc1ccc2nc(N3CCN(c4ccccc4)CC3)nc(-c3ccccc3)c2c1 ZINC000000727149 132232129 /nfs/dbraw/zinc/23/21/29/132232129.db2.gz XCFWMFUHURUWEM-UHFFFAOYSA-N 0 0 400.913 5.277 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000000727175 557073674 /nfs/dbraw/zinc/07/36/74/557073674.db2.gz ITZUXLWSYCHEDE-LBPRGKRZSA-N 0 0 414.914 5.624 50 0 HKAARN O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1cccs1 ZINC000000727197 557073627 /nfs/dbraw/zinc/07/36/27/557073627.db2.gz XEVOPCNFFCSSHZ-UHFFFAOYSA-N 0 0 422.897 5.092 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2cc(Br)c(OCc3ccccc3)cc21 ZINC000000727208 557073636 /nfs/dbraw/zinc/07/36/36/557073636.db2.gz WGUNYURSGXJFBE-UHFFFAOYSA-N 0 0 402.288 5.005 50 0 HKAARN CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000000727322 557073823 /nfs/dbraw/zinc/07/38/23/557073823.db2.gz JZQMZSMDPMTWID-UHFFFAOYSA-N 0 0 421.360 5.380 50 0 HKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccco1 ZINC000000727449 557073866 /nfs/dbraw/zinc/07/38/66/557073866.db2.gz MHHXGSUORAJRIR-UHFFFAOYSA-N 0 0 417.486 6.104 50 0 HKAARN CCc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1CCCC2 ZINC000000727467 557073841 /nfs/dbraw/zinc/07/38/41/557073841.db2.gz HYSSILQTOUUEDV-UHFFFAOYSA-N 0 0 415.356 5.313 50 0 HKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccc(OC)cc3)n2)cc1 ZINC000000727484 557073789 /nfs/dbraw/zinc/07/37/89/557073789.db2.gz PQDMPSJNQCTMOH-UHFFFAOYSA-N 0 0 401.462 5.603 50 0 HKAARN Cc1ccc(NC(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)cc1 ZINC000000727493 557073828 /nfs/dbraw/zinc/07/38/28/557073828.db2.gz MBWZSVORIGPVOI-BWAHOGKJSA-N 0 0 406.485 5.558 50 0 HKAARN Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)Nc2cccc(O)c2)cc1 ZINC000000727533 557073784 /nfs/dbraw/zinc/07/37/84/557073784.db2.gz OINAUXBABBIDQS-PCLIKHOPSA-N 0 0 422.484 5.263 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 ZINC000000727746 557073786 /nfs/dbraw/zinc/07/37/86/557073786.db2.gz MWVFBMQVAKTWLU-UHFFFAOYSA-N 0 0 400.478 6.071 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1-c1ccc(OC)cc1 ZINC000000727900 557073904 /nfs/dbraw/zinc/07/39/04/557073904.db2.gz GNLSRDNJOWSDOY-UHFFFAOYSA-N 0 0 413.470 5.300 50 0 HKAARN Cc1oc2c(C)c(OC(=O)c3ccco3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000000728004 568468119 /nfs/dbraw/zinc/46/81/19/568468119.db2.gz VUDDYUXFAORJLH-UHFFFAOYSA-N 0 0 417.442 5.499 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1OC ZINC000000728051 568468095 /nfs/dbraw/zinc/46/80/95/568468095.db2.gz RLIFOUBTDSMBEN-UHFFFAOYSA-N 0 0 422.458 5.066 50 0 biogenic HKAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000000728060 568468091 /nfs/dbraw/zinc/46/80/91/568468091.db2.gz BFSBHYVZCICYAU-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1 ZINC000000728155 557073860 /nfs/dbraw/zinc/07/38/60/557073860.db2.gz ARKCEZWOBWBMPC-SFHVURJKSA-N 0 0 413.348 6.191 50 0 HKAARN Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1 ZINC000000728156 557073893 /nfs/dbraw/zinc/07/38/93/557073893.db2.gz ARKCEZWOBWBMPC-GOSISDBHSA-N 0 0 413.348 6.191 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000728184 557073831 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CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000822405 132233988 /nfs/dbraw/zinc/23/39/88/132233988.db2.gz YIFLLWSQXZMQJA-MZNJEOGPSA-N 0 0 402.469 5.359 50 0 HKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C ZINC000000822406 132233937 /nfs/dbraw/zinc/23/39/37/132233937.db2.gz YIFLLWSQXZMQJA-XDHUDOTRSA-N 0 0 402.469 5.359 50 0 HKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C ZINC000000822407 132233974 /nfs/dbraw/zinc/23/39/74/132233974.db2.gz YIFLLWSQXZMQJA-OSPHWJPCSA-N 0 0 402.469 5.359 50 0 HKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000000822562 557092814 /nfs/dbraw/zinc/09/28/14/557092814.db2.gz POQDMILISXOHOB-LJQANCHMSA-N 0 0 422.897 5.677 50 0 HKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000000822563 557092849 /nfs/dbraw/zinc/09/28/49/557092849.db2.gz POQDMILISXOHOB-IBGZPJMESA-N 0 0 422.897 5.677 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000000822709 557092922 /nfs/dbraw/zinc/09/29/22/557092922.db2.gz HNEMYFWIQYAZNL-UHFFFAOYSA-N 0 0 416.521 5.887 50 0 HKAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCCC1)c1ccc(Cl)cc1 ZINC000000822725 557092823 /nfs/dbraw/zinc/09/28/23/557092823.db2.gz YFLZLUDZTQJCKT-UHFFFAOYSA-N 0 0 412.942 5.215 50 0 HKAARN c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1 ZINC000000822804 568498585 /nfs/dbraw/zinc/49/85/85/568498585.db2.gz LFNLQAXSSOZTIX-UHFFFAOYSA-N 0 0 402.457 6.566 50 0 HKAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000822845 568498564 /nfs/dbraw/zinc/49/85/64/568498564.db2.gz RXHNFTRLGMTDGO-UHFFFAOYSA-N 0 0 406.437 5.761 50 0 HKAARN CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000823232 558835855 /nfs/dbraw/zinc/83/58/55/558835855.db2.gz VZGNYBKLJTTWBY-UHFFFAOYSA-N 0 0 401.673 5.039 50 0 HKAARN O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000000823826 568498836 /nfs/dbraw/zinc/49/88/36/568498836.db2.gz LPYXKEGFZRLVAF-LBPRGKRZSA-N 0 0 402.492 5.125 50 0 HKAARN O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000000823827 568498825 /nfs/dbraw/zinc/49/88/25/568498825.db2.gz LPYXKEGFZRLVAF-GFCCVEGCSA-N 0 0 402.492 5.125 50 0 HKAARN COc1cccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000824656 557093510 /nfs/dbraw/zinc/09/35/10/557093510.db2.gz BGLSOFRVASDQKE-KRWDZBQOSA-N 0 0 415.320 5.583 50 0 HKAARN COc1cccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000824657 557093457 /nfs/dbraw/zinc/09/34/57/557093457.db2.gz BGLSOFRVASDQKE-QGZVFWFLSA-N 0 0 415.320 5.583 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)oc2c1 ZINC000000824704 557093453 /nfs/dbraw/zinc/09/34/53/557093453.db2.gz RQLNGIVAIWVHCL-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000000824818 568499067 /nfs/dbraw/zinc/49/90/67/568499067.db2.gz JYBZJGGVCSJWSM-FQEVSTJZSA-N 0 0 420.921 5.120 50 0 HKAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000000824819 568499103 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O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000000824964 568499146 /nfs/dbraw/zinc/49/91/46/568499146.db2.gz ZJRBEKHZKRVMPD-XSFVSMFZSA-N 0 0 417.336 5.167 50 0 HKAARN Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000000825462 557093810 /nfs/dbraw/zinc/09/38/10/557093810.db2.gz PDTPSCZKFUCVKD-UHFFFAOYSA-N 0 0 407.425 5.168 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000825536 557093832 /nfs/dbraw/zinc/09/38/32/557093832.db2.gz BTDVPCQEFQGPRQ-UHFFFAOYSA-N 0 0 416.790 5.321 50 0 HKAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1C ZINC000000825538 557093777 /nfs/dbraw/zinc/09/37/77/557093777.db2.gz WAGZHCOCOOVUNV-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)cc1Cl ZINC000000825607 557093800 /nfs/dbraw/zinc/09/38/00/557093800.db2.gz WGVGWWAIOWWCDK-UHFFFAOYSA-N 0 0 402.100 5.618 50 0 HKAARN Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 ZINC000000825716 557093804 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O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1Br ZINC000000826454 557094190 /nfs/dbraw/zinc/09/41/90/557094190.db2.gz VULCPCGPPJHDFP-UHFFFAOYSA-N 0 0 411.230 5.649 50 0 HKAARN CCc1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000000826467 557094137 /nfs/dbraw/zinc/09/41/37/557094137.db2.gz CKIBIZGYRIZCIK-UHFFFAOYSA-N 0 0 421.294 6.072 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccccc3Br)ccc2o1 ZINC000000826469 557094146 /nfs/dbraw/zinc/09/41/46/557094146.db2.gz AXYTWGYRMLCAJF-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 ZINC000000826531 132233931 /nfs/dbraw/zinc/23/39/31/132233931.db2.gz NJWOILOOALTRHT-UHFFFAOYSA-N 0 0 422.410 5.008 50 0 HKAARN O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1ccco1 ZINC000000826653 557094187 /nfs/dbraw/zinc/09/41/87/557094187.db2.gz OIYPGACRDSLWOE-SFHVURJKSA-N 0 0 422.790 5.003 50 0 HKAARN O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1ccco1 ZINC000000826654 557094166 /nfs/dbraw/zinc/09/41/66/557094166.db2.gz 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O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827111 568499659 /nfs/dbraw/zinc/49/96/59/568499659.db2.gz ZYPHQUYVUANQBB-UHFFFAOYSA-N 0 0 424.741 5.053 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827121 568499660 /nfs/dbraw/zinc/49/96/60/568499660.db2.gz GTMKBEWHNBWHQZ-UHFFFAOYSA-N 0 0 420.778 5.222 50 0 HKAARN O=C(Nc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000827189 568499661 /nfs/dbraw/zinc/49/96/61/568499661.db2.gz JIEDIPZJVAZHQY-UHFFFAOYSA-N 0 0 415.415 5.339 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3)sc2c1 ZINC000000827190 557094459 /nfs/dbraw/zinc/09/44/59/557094459.db2.gz GJLNRBGYTJWABI-UHFFFAOYSA-N 0 0 423.357 5.188 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000827294 557094474 /nfs/dbraw/zinc/09/44/74/557094474.db2.gz JMTJIUKHQHJISO-JTQLQIEISA-N 0 0 417.214 5.004 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000827295 557094451 /nfs/dbraw/zinc/09/44/51/557094451.db2.gz JMTJIUKHQHJISO-SNVBAGLBSA-N 0 0 417.214 5.004 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 ZINC000000827387 557094706 /nfs/dbraw/zinc/09/47/06/557094706.db2.gz ZRYGDZZNNPBUKB-UHFFFAOYSA-N 0 0 418.522 5.183 50 0 HKAARN Cc1ccc(NC(=O)OC2CCCCC2)cc1NC(=O)Nc1cccc2ccccc21 ZINC000000827787 558774587 /nfs/dbraw/zinc/77/45/87/558774587.db2.gz CPZCGZOTOIZNLS-UHFFFAOYSA-N 0 0 417.509 6.673 50 0 HKAARN COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(F)c1 ZINC000000827808 132233945 /nfs/dbraw/zinc/23/39/45/132233945.db2.gz PCXYDKQVNCNKHS-UHFFFAOYSA-N 0 0 417.552 6.249 50 0 HKAARN COc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000827869 557094724 /nfs/dbraw/zinc/09/47/24/557094724.db2.gz ANKJNRBZIBHBNL-UHFFFAOYSA-N 0 0 416.477 5.445 50 0 HKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000000828017 557095056 /nfs/dbraw/zinc/09/50/56/557095056.db2.gz HFYRQDNWFBMEAC-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000000828078 568499796 /nfs/dbraw/zinc/49/97/96/568499796.db2.gz FZLCRXVVDVJVLD-UHFFFAOYSA-N 0 0 414.509 5.369 50 0 HKAARN O=C(Oc1ccc(-c2ccc(OC(=O)c3cccs3)cc2)cc1)c1cccs1 ZINC000000828234 557095028 /nfs/dbraw/zinc/09/50/28/557095028.db2.gz UXZOFRGUHWENFL-UHFFFAOYSA-N 0 0 406.484 5.915 50 0 HKAARN COc1ccc(C(=O)N2c3cc(C)ccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000000828387 132233977 /nfs/dbraw/zinc/23/39/77/132233977.db2.gz ANBVRUUYJUPGQS-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cccs1 ZINC000000828390 132233960 /nfs/dbraw/zinc/23/39/60/132233960.db2.gz ZCKRICAHKUIFHW-UHFFFAOYSA-N 0 0 405.591 6.172 50 0 HKAARN Cc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000828392 132233929 /nfs/dbraw/zinc/23/39/29/132233929.db2.gz VTHNURMHBFSDHG-UHFFFAOYSA-N 0 0 413.589 6.175 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000000829053 557094947 /nfs/dbraw/zinc/09/49/47/557094947.db2.gz TYKVLOHYIJSXSZ-IAQYHMDHSA-N 0 0 416.370 5.333 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000000829054 557094982 /nfs/dbraw/zinc/09/49/82/557094982.db2.gz TYKVLOHYIJSXSZ-ABAIWWIYSA-N 0 0 416.370 5.333 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000000829055 557095013 /nfs/dbraw/zinc/09/50/13/557095013.db2.gz TYKVLOHYIJSXSZ-XHDPSFHLSA-N 0 0 416.370 5.333 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000000829056 557095065 /nfs/dbraw/zinc/09/50/65/557095065.db2.gz TYKVLOHYIJSXSZ-NHYWBVRUSA-N 0 0 416.370 5.333 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000000830095 557095139 /nfs/dbraw/zinc/09/51/39/557095139.db2.gz MONRQCCRKCOVAO-UHFFFAOYSA-N 0 0 409.445 5.612 50 0 HKAARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(Cl)c(Cl)c1 ZINC000000830114 568503392 /nfs/dbraw/zinc/50/33/92/568503392.db2.gz SIZBWJWFBCLJQB-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN O=C(Nc1cc(NC(=O)c2cccc3ccccc32)ccc1Cl)c1ccccc1 ZINC000000830118 568502866 /nfs/dbraw/zinc/50/28/66/568502866.db2.gz KPEYVOXHVOOXLU-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(I)c1 ZINC000000830130 568503381 /nfs/dbraw/zinc/50/33/81/568503381.db2.gz YVOQHSXRFQGQJY-UHFFFAOYSA-N 0 0 411.242 5.115 50 0 HKAARN COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc(OC)c1OC ZINC000000830205 557095122 /nfs/dbraw/zinc/09/51/22/557095122.db2.gz ODUFQNWOYLBOMP-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COc1cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc(OC)c1OC ZINC000000830206 557095159 /nfs/dbraw/zinc/09/51/59/557095159.db2.gz FQCQGFBJQYSZQH-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc(OC)c1OC ZINC000000830224 557095249 /nfs/dbraw/zinc/09/52/49/557095249.db2.gz IPQJKWWYJKCIHO-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc(OC)c1OC ZINC000000830225 557095151 /nfs/dbraw/zinc/09/51/51/557095151.db2.gz URRSXUIEVYPBNZ-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](C)C2 ZINC000000830272 568503926 /nfs/dbraw/zinc/50/39/26/568503926.db2.gz AAVKUHHKDQWXKX-JTQLQIEISA-N 0 0 419.955 5.780 50 0 HKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@@H](C)C2 ZINC000000830273 568503943 /nfs/dbraw/zinc/50/39/43/568503943.db2.gz AAVKUHHKDQWXKX-SNVBAGLBSA-N 0 0 419.955 5.780 50 0 HKAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccccc1 ZINC000000831561 557095449 /nfs/dbraw/zinc/09/54/49/557095449.db2.gz XZJXTDKMMXBNRG-UHFFFAOYSA-N 0 0 422.506 5.046 50 0 HKAARN Brc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000000831681 568507967 /nfs/dbraw/zinc/50/79/67/568507967.db2.gz MFHBQMIVUOQJRP-UHFFFAOYSA-N 0 0 415.294 6.050 50 0 HKAARN CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1C(=O)OC ZINC000000831813 557095609 /nfs/dbraw/zinc/09/56/09/557095609.db2.gz AHCFTNLFGKXRIZ-UHFFFAOYSA-N 0 0 418.902 5.275 50 0 HKAARN C[C@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 ZINC000000831956 568508454 /nfs/dbraw/zinc/50/84/54/568508454.db2.gz DMWPAKITKKUJKZ-LBPRGKRZSA-N 0 0 413.686 5.152 50 0 HKAARN C[C@@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 ZINC000000831957 568508469 /nfs/dbraw/zinc/50/84/69/568508469.db2.gz DMWPAKITKKUJKZ-GFCCVEGCSA-N 0 0 413.686 5.152 50 0 HKAARN Clc1ccccc1N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000000831976 526990479 /nfs/dbraw/zinc/99/04/79/526990479.db2.gz WTNPMNQPIQGWFF-UHFFFAOYSA-N 0 0 400.913 5.277 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000832331 557095498 /nfs/dbraw/zinc/09/54/98/557095498.db2.gz VIDYWCFIOGWCBU-GOSISDBHSA-N 0 0 411.329 5.277 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000832332 557095454 /nfs/dbraw/zinc/09/54/54/557095454.db2.gz VIDYWCFIOGWCBU-SFHVURJKSA-N 0 0 411.329 5.277 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000000832553 557095770 /nfs/dbraw/zinc/09/57/70/557095770.db2.gz WYUZPNLFIKYQBV-UHFFFAOYSA-N 0 0 407.326 5.003 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(C)c1 ZINC000000832584 557095811 /nfs/dbraw/zinc/09/58/11/557095811.db2.gz SUTOSXWINQJYJK-UHFFFAOYSA-N 0 0 402.523 5.157 50 0 HKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000000832672 519472800 /nfs/dbraw/zinc/47/28/00/519472800.db2.gz TVDYOGKGVPLVES-BXKMTCNYSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000000832673 519472088 /nfs/dbraw/zinc/47/20/88/519472088.db2.gz TVDYOGKGVPLVES-MZNJEOGPSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000000832674 519474374 /nfs/dbraw/zinc/47/43/74/519474374.db2.gz TVDYOGKGVPLVES-XDHUDOTRSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000000832675 519474092 /nfs/dbraw/zinc/47/40/92/519474092.db2.gz TVDYOGKGVPLVES-OSPHWJPCSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000000832676 519475021 /nfs/dbraw/zinc/47/50/21/519475021.db2.gz RKNQSFIXDXLHEM-IPTZZGIJSA-N 0 0 410.517 5.619 50 0 HKAARN CC1=CC(C)(C)N(C(=S)NC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000000832685 520851878 /nfs/dbraw/zinc/85/18/78/520851878.db2.gz WLSLXYRWJZGAKL-UHFFFAOYSA-N 0 0 415.356 5.166 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000832686 524816344 /nfs/dbraw/zinc/81/63/44/524816344.db2.gz VUJIKHANNZJKJV-HTAPYJJXSA-N 0 0 406.913 5.697 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000832687 525277584 /nfs/dbraw/zinc/27/75/84/525277584.db2.gz VUJIKHANNZJKJV-VGOFRKELSA-N 0 0 406.913 5.697 50 0 HKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000832688 524931901 /nfs/dbraw/zinc/93/19/01/524931901.db2.gz VUJIKHANNZJKJV-JTSKRJEESA-N 0 0 406.913 5.697 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000832689 525449937 /nfs/dbraw/zinc/44/99/37/525449937.db2.gz VUJIKHANNZJKJV-VGSWGCGISA-N 0 0 406.913 5.697 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(OC)c(OC)c3)sc1C(C)(C)N2 ZINC000000832693 568511548 /nfs/dbraw/zinc/51/15/48/568511548.db2.gz ZNASCFNVWPEJQA-UHFFFAOYSA-N 0 0 414.552 5.622 50 0 HKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccc(Br)cc1 ZINC000000832752 557095733 /nfs/dbraw/zinc/09/57/33/557095733.db2.gz PNYZUGHAVOKQTI-UHFFFAOYSA-N 0 0 409.308 5.539 50 0 HKAARN O=C(Nc1ccccc1I)c1sc2ccccc2c1Cl ZINC000000832755 569007763 /nfs/dbraw/zinc/00/77/63/569007763.db2.gz LFTTUFGQRJQDGZ-UHFFFAOYSA-N 0 0 413.667 5.412 50 0 HKAARN CC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1 ZINC000000832887 568511672 /nfs/dbraw/zinc/51/16/72/568511672.db2.gz FHVKKVCFAPFMAN-UHFFFAOYSA-N 0 0 420.513 5.373 50 0 HKAARN CC(=O)Oc1ccc(-c2cc(-c3ccc(OC(C)=O)cc3)nc(-c3ccccc3)n2)cc1 ZINC000000832903 557095726 /nfs/dbraw/zinc/09/57/26/557095726.db2.gz UIDYTXRIFJLTMD-UHFFFAOYSA-N 0 0 424.456 5.328 50 0 biogenic HKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000000834417 557096015 /nfs/dbraw/zinc/09/60/15/557096015.db2.gz RXBWYIWFYMZKHZ-UHFFFAOYSA-N 0 0 407.491 5.515 50 0 HKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc21 ZINC000000834420 557096096 /nfs/dbraw/zinc/09/60/96/557096096.db2.gz PIZSYSCKPFFVDW-UHFFFAOYSA-N 0 0 421.518 5.823 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2cc3c(oc(C)c3C(C)=O)c3ccccc23)cc1 ZINC000000834426 557096064 /nfs/dbraw/zinc/09/60/64/557096064.db2.gz XDBWFXVMXVCNIU-UHFFFAOYSA-N 0 0 407.491 5.460 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)c(C)c1 ZINC000000834437 557096040 /nfs/dbraw/zinc/09/60/40/557096040.db2.gz XVKOBTKODUMGFU-UHFFFAOYSA-N 0 0 419.502 5.523 50 0 biogenic HKAARN O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000000834474 526798411 /nfs/dbraw/zinc/79/84/11/526798411.db2.gz OPINBEXMYCEENT-UHFFFAOYSA-N 0 0 411.844 5.525 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1c2ccccc2Oc2ccccc21 ZINC000000834738 557096089 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Cc1cccc(Cc2cnc(NC(=O)/C=C/c3cc(Cl)ccc3Cl)s2)c1 ZINC000000848342 557100044 /nfs/dbraw/zinc/10/00/44/557100044.db2.gz NQGWUWURBRRVEG-VMPITWQZSA-N 0 0 403.334 6.001 50 0 HKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000848343 557100114 /nfs/dbraw/zinc/10/01/14/557100114.db2.gz ZJLXFHHQNLTSGP-BQYQJAHWSA-N 0 0 422.859 6.058 50 0 HKAARN COc1ccccc1OCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000000848370 568711125 /nfs/dbraw/zinc/71/11/25/568711125.db2.gz XACMBWXHGKUHLU-UHFFFAOYSA-N 0 0 423.321 5.067 50 0 HKAARN COc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000848371 568711179 /nfs/dbraw/zinc/71/11/79/568711179.db2.gz JODHFVHAZDJDLC-UHFFFAOYSA-N 0 0 423.321 5.067 50 0 HKAARN COc1ccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1 ZINC000000848389 568710978 /nfs/dbraw/zinc/71/09/78/568710978.db2.gz KBHOSBPUQHGQSL-UHFFFAOYSA-N 0 0 414.939 5.863 50 0 HKAARN CCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1nc3ccccc3s1)c2=O ZINC000000848456 568711109 /nfs/dbraw/zinc/71/11/09/568711109.db2.gz 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Cc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000000848698 568710980 /nfs/dbraw/zinc/71/09/80/568710980.db2.gz CPLVFCRDYYKKJG-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN C[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848738 557100490 /nfs/dbraw/zinc/10/04/90/557100490.db2.gz PGNXVMPNUZRKNY-LBPRGKRZSA-N 0 0 422.838 5.083 50 0 HKAARN C[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848739 557100395 /nfs/dbraw/zinc/10/03/95/557100395.db2.gz PGNXVMPNUZRKNY-GFCCVEGCSA-N 0 0 422.838 5.083 50 0 HKAARN O=C(CN1CCCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000848792 291298392 /nfs/dbraw/zinc/29/83/92/291298392.db2.gz BYIUAKQEWUPRQD-UHFFFAOYSA-N 0 0 406.473 5.711 50 0 biogenic HKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc2c3c(cccc31)CC2 ZINC000000848910 557100485 /nfs/dbraw/zinc/10/04/85/557100485.db2.gz UFQXMDXWCVRDFQ-UHFFFAOYSA-N 0 0 424.891 5.578 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl ZINC000000848915 557100457 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COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1OC ZINC000000849032 568710905 /nfs/dbraw/zinc/71/09/05/568710905.db2.gz PJTZFMKTLHEXHS-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1OC ZINC000000849048 568710915 /nfs/dbraw/zinc/71/09/15/568710915.db2.gz JOXUVDPJRXOXOJ-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000000849442 568710743 /nfs/dbraw/zinc/71/07/43/568710743.db2.gz UVUNSJDALCQYFK-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(SC3=NCCS3)n2)cc1 ZINC000000849816 568711166 /nfs/dbraw/zinc/71/11/66/568711166.db2.gz ZJWBZFOKZAAIAQ-UHFFFAOYSA-N 0 0 408.556 5.171 50 0 HKAARN Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(SC2=NCCS2)n1 ZINC000000849817 568711148 /nfs/dbraw/zinc/71/11/48/568711148.db2.gz JWOKQHIWSOTUTQ-UHFFFAOYSA-N 0 0 408.556 5.171 50 0 aggregator HKAARN O=C(CSc1nc2ccccc2s1)N1c2ccccc2CCc2ccccc21 ZINC000000849821 557100750 /nfs/dbraw/zinc/10/07/50/557100750.db2.gz 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557100646 /nfs/dbraw/zinc/10/06/46/557100646.db2.gz CKEOUIDJGGDULD-UHFFFAOYSA-N 0 0 402.475 5.295 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2cc1C ZINC000000850293 568712184 /nfs/dbraw/zinc/71/21/84/568712184.db2.gz JGRSXLAMDKPRRO-UHFFFAOYSA-N 0 0 400.434 5.135 50 0 HKAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000850300 557100787 /nfs/dbraw/zinc/10/07/87/557100787.db2.gz YYNYIGNUHDAREE-UHFFFAOYSA-N 0 0 406.825 5.172 50 0 HKAARN CCOC(=O)c1c(N)sc2c1ccc(Br)c2OCc1ccccc1 ZINC000000850540 557101018 /nfs/dbraw/zinc/10/10/18/557101018.db2.gz QVLUVQXRHLQIOL-UHFFFAOYSA-N 0 0 406.301 5.002 50 0 HKAARN Nc1ccc(Oc2ccc(N)c(C(=O)c3ccccc3)c2)cc1C(=O)c1ccccc1 ZINC000000850562 557100968 /nfs/dbraw/zinc/10/09/68/557100968.db2.gz RQBNCXDTWJEWPW-UHFFFAOYSA-N 0 0 408.457 5.105 50 0 HKAARN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000000850654 557100991 /nfs/dbraw/zinc/10/09/91/557100991.db2.gz SAEBLOCZAMRYAF-UHFFFAOYSA-N 0 0 422.440 5.391 50 0 HKAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000000850668 557101074 /nfs/dbraw/zinc/10/10/74/557101074.db2.gz LQQDILVSQRVQPI-UHFFFAOYSA-N 0 0 405.251 5.279 50 0 HKAARN CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000850735 559289158 /nfs/dbraw/zinc/28/91/58/559289158.db2.gz ZSXOXIODKXEIMJ-ZDUSSCGKSA-N 0 0 422.403 5.311 50 0 HKAARN CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000850736 559289151 /nfs/dbraw/zinc/28/91/51/559289151.db2.gz ZSXOXIODKXEIMJ-CYBMUJFWSA-N 0 0 422.403 5.311 50 0 HKAARN CCN(CC)c1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000850757 568712154 /nfs/dbraw/zinc/71/21/54/568712154.db2.gz MELAKFNESFFCRA-UHFFFAOYSA-N 0 0 417.435 5.129 50 0 HKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 ZINC000000850802 557101029 /nfs/dbraw/zinc/10/10/29/557101029.db2.gz TWRCSHLJALVLBP-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 ZINC000000850803 557101026 /nfs/dbraw/zinc/10/10/26/557101026.db2.gz TWRCSHLJALVLBP-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000000850941 568712007 /nfs/dbraw/zinc/71/20/07/568712007.db2.gz XNIMHVGLUFAZLW-LFVJCYFKSA-N 0 0 410.448 5.389 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000000850943 568712187 /nfs/dbraw/zinc/71/21/87/568712187.db2.gz GWTGEBSJZCERFX-JJIBRWJFSA-N 0 0 410.448 5.389 50 0 HKAARN c1ccc(-c2nc(SC[C@H]3COc4ccccc4O3)oc2-c2ccccc2)cc1 ZINC000000851163 557101022 /nfs/dbraw/zinc/10/10/22/557101022.db2.gz AHCBYFVVEKOMKE-LJQANCHMSA-N 0 0 401.487 5.941 50 0 HKAARN c1ccc(-c2nc(SC[C@@H]3COc4ccccc4O3)oc2-c2ccccc2)cc1 ZINC000000851164 557100974 /nfs/dbraw/zinc/10/09/74/557100974.db2.gz AHCBYFVVEKOMKE-IBGZPJMESA-N 0 0 401.487 5.941 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(F)cc2)cc1 ZINC000000851228 568712142 /nfs/dbraw/zinc/71/21/42/568712142.db2.gz GXHULBUPAPIFRG-RCCKNPSSSA-N 0 0 422.525 5.594 50 0 HKAARN Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000851230 568712464 /nfs/dbraw/zinc/71/24/64/568712464.db2.gz XHPRWTIKVBPOQE-JWGURIENSA-N 0 0 418.562 5.764 50 0 HKAARN CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1 ZINC000000851234 568712503 /nfs/dbraw/zinc/71/25/03/568712503.db2.gz CIAXBMCAVSVELD-HYARGMPZSA-N 0 0 420.509 5.266 50 0 HKAARN CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C)c2)cc1 ZINC000000851236 568712488 /nfs/dbraw/zinc/71/24/88/568712488.db2.gz JCCANLTXZZMLLE-XQNSMLJCSA-N 0 0 416.546 5.435 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000851373 568712449 /nfs/dbraw/zinc/71/24/49/568712449.db2.gz RRMKJXQIOQFUMY-UHFFFAOYSA-N 0 0 400.261 5.242 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2C)c1 ZINC000000851408 568712422 /nfs/dbraw/zinc/71/24/22/568712422.db2.gz RMVAVDHTSBHCIS-UHFFFAOYSA-N 0 0 423.294 5.049 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)Cc1ccccc1 ZINC000000851501 525506436 /nfs/dbraw/zinc/50/64/36/525506436.db2.gz VIVRMMXVIWONQF-UHFFFAOYSA-N 0 0 413.589 6.039 50 0 HKAARN COc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1OC ZINC000000851503 523678396 /nfs/dbraw/zinc/67/83/96/523678396.db2.gz GCYHUCBLFAFASO-DYESRHJHSA-N 0 0 402.494 5.296 50 0 HKAARN COc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1OC ZINC000000851505 523679964 /nfs/dbraw/zinc/67/99/64/523679964.db2.gz GCYHUCBLFAFASO-UTKZUKDTSA-N 0 0 402.494 5.296 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000851571 526166539 /nfs/dbraw/zinc/16/65/39/526166539.db2.gz NOVWGWCYGHITBG-UHFFFAOYSA-N 0 0 413.589 6.175 50 0 HKAARN O=C(Sc1ccc(Oc2ccc(SC(=O)c3ccco3)cc2)cc1)c1ccco1 ZINC000000851650 557101090 /nfs/dbraw/zinc/10/10/90/557101090.db2.gz RGCRFFFCKNGAAT-UHFFFAOYSA-N 0 0 422.483 6.530 50 0 HKAARN CCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc(OCC)c1OCC ZINC000000851813 557101330 /nfs/dbraw/zinc/10/13/30/557101330.db2.gz ATMCDMIYMBWTRQ-UHFFFAOYSA-N 0 0 420.509 5.125 50 0 HKAARN CCOC(=O)C1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000000851827 557101306 /nfs/dbraw/zinc/10/13/06/557101306.db2.gz YXLWBJVPUCULQY-UHFFFAOYSA-N 0 0 423.619 5.021 50 0 HKAARN Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nc2ccccc2o1 ZINC000000851897 557101359 /nfs/dbraw/zinc/10/13/59/557101359.db2.gz RMNYPXVPARYUGK-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 ZINC000000851917 557101283 /nfs/dbraw/zinc/10/12/83/557101283.db2.gz DENCGRHCCZTSNF-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br ZINC000000851945 520918113 /nfs/dbraw/zinc/91/81/13/520918113.db2.gz FLHGYJSAOXUZGU-UHFFFAOYSA-N 0 0 403.320 5.090 50 0 HKAARN CC(C)CC(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)CC(C)C)c3)o2)c1 ZINC000000852560 557101654 /nfs/dbraw/zinc/10/16/54/557101654.db2.gz QXUSECRREZCGON-UHFFFAOYSA-N 0 0 420.513 5.373 50 0 HKAARN COc1cccc2c1N(C(=O)Cc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000000852643 524229817 /nfs/dbraw/zinc/22/98/17/524229817.db2.gz LZCKLQXYXMLEHW-UHFFFAOYSA-N 0 0 413.589 6.039 50 0 HKAARN Cn1ccnc1SCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000852677 527448440 /nfs/dbraw/zinc/44/84/40/527448440.db2.gz VESMGYBNDMVCEJ-UHFFFAOYSA-N 0 0 421.469 5.361 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1cccs1 ZINC000000852986 557101673 /nfs/dbraw/zinc/10/16/73/557101673.db2.gz KGZPZGDVYVPEBI-UHFFFAOYSA-N 0 0 401.285 5.015 50 0 HKAARN CC(C)(C)OC(=O)N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 ZINC000000852991 557101621 /nfs/dbraw/zinc/10/16/21/557101621.db2.gz QEHGDBRUDXAHEC-QGZVFWFLSA-N 0 0 410.725 5.304 50 0 HKAARN CC(C)(C)OC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 ZINC000000852992 557101592 /nfs/dbraw/zinc/10/15/92/557101592.db2.gz QEHGDBRUDXAHEC-KRWDZBQOSA-N 0 0 410.725 5.304 50 0 HKAARN CCc1ccc(Oc2c(=O)c3cc(CC)c(OC(C)=O)cc3oc2C(F)(F)F)cc1 ZINC000000853004 557101586 /nfs/dbraw/zinc/10/15/86/557101586.db2.gz RKBVPQHWQYNKQA-UHFFFAOYSA-N 0 0 420.383 5.654 50 0 HKAARN COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 ZINC000000853329 557101965 /nfs/dbraw/zinc/10/19/65/557101965.db2.gz DLLKDLFPBARGCC-UHFFFAOYSA-N 0 0 422.535 5.580 50 0 aggregator HKAARN CCN(CC)c1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1 ZINC000000853360 557101912 /nfs/dbraw/zinc/10/19/12/557101912.db2.gz HHQSMFLIIJOTLT-UHFFFAOYSA-N 0 0 401.561 5.123 50 0 HKAARN O=C(Nc1ccccc1Br)c1sc2cc(Cl)ccc2c1Cl ZINC000000853557 569007773 /nfs/dbraw/zinc/00/77/73/569007773.db2.gz QKVLLUJKXQSFAE-UHFFFAOYSA-N 0 0 401.112 6.223 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 ZINC000000853565 569009472 /nfs/dbraw/zinc/00/94/72/569009472.db2.gz JSBWWCKSBZAHNQ-UHFFFAOYSA-N 0 0 418.880 5.825 50 0 HKAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1cccc(Cl)c1 ZINC000000853646 568712588 /nfs/dbraw/zinc/71/25/88/568712588.db2.gz IFLZUFIFPAYCHD-NSHDSACASA-N 0 0 403.960 5.343 50 0 HKAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1cccc(Cl)c1 ZINC000000853647 568712640 /nfs/dbraw/zinc/71/26/40/568712640.db2.gz IFLZUFIFPAYCHD-LLVKDONJSA-N 0 0 403.960 5.343 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OCc1ccccc1 ZINC000000853763 557101919 /nfs/dbraw/zinc/10/19/19/557101919.db2.gz ZPVHTEDAPOYHNW-HSZRJFAPSA-N 0 0 409.485 5.902 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OCc1ccccc1 ZINC000000853764 557101859 /nfs/dbraw/zinc/10/18/59/557101859.db2.gz ZPVHTEDAPOYHNW-QHCPKHFHSA-N 0 0 409.485 5.902 50 0 HKAARN Cc1cc2c(o1)-c1c3cc(Br)cc(Br)c3oc1CC[C@H]2C ZINC000000854338 569060283 /nfs/dbraw/zinc/06/02/83/569060283.db2.gz KWNMJZXADQGJJR-MRVPVSSYSA-N 0 0 410.105 6.576 50 0 biogenic HKAARN Cc1cc2c(o1)-c1c3cc(Br)cc(Br)c3oc1CC[C@@H]2C ZINC000000854339 569060289 /nfs/dbraw/zinc/06/02/89/569060289.db2.gz KWNMJZXADQGJJR-QMMMGPOBSA-N 0 0 410.105 6.576 50 0 biogenic HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@@H]1C ZINC000000854347 519640883 /nfs/dbraw/zinc/64/08/83/519640883.db2.gz YGKFAOJJDSDQMV-BXKMTCNYSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@H]1C ZINC000000854348 519640786 /nfs/dbraw/zinc/64/07/86/519640786.db2.gz YGKFAOJJDSDQMV-MZNJEOGPSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@@H]1C ZINC000000854349 519640964 /nfs/dbraw/zinc/64/09/64/519640964.db2.gz YGKFAOJJDSDQMV-XDHUDOTRSA-N 0 0 418.924 5.873 50 0 HKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@H]1C ZINC000000854350 519640904 /nfs/dbraw/zinc/64/09/04/519640904.db2.gz YGKFAOJJDSDQMV-OSPHWJPCSA-N 0 0 418.924 5.873 50 0 HKAARN COc1cccc(C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1 ZINC000000854359 525811811 /nfs/dbraw/zinc/81/18/11/525811811.db2.gz HKXHAQCGYTUARZ-UHFFFAOYSA-N 0 0 401.409 6.157 50 0 HKAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1Cl ZINC000000854641 557102250 /nfs/dbraw/zinc/10/22/50/557102250.db2.gz ZEMWGIWFXXRHLC-FGEXJBCWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1Cl ZINC000000854642 557102512 /nfs/dbraw/zinc/10/25/12/557102512.db2.gz ZEMWGIWFXXRHLC-ZQFKLAOWSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1Cl ZINC000000854643 557102495 /nfs/dbraw/zinc/10/24/95/557102495.db2.gz ZEMWGIWFXXRHLC-QQNJPBSNSA-N 0 0 413.904 5.219 50 0 HKAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1Cl ZINC000000854644 557102507 /nfs/dbraw/zinc/10/25/07/557102507.db2.gz ZEMWGIWFXXRHLC-VUUXHMSQSA-N 0 0 413.904 5.219 50 0 HKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 ZINC000000854654 568712601 /nfs/dbraw/zinc/71/26/01/568712601.db2.gz HOYCNZGAXMXRFI-IOXNAGQWSA-N 0 0 407.513 5.264 50 0 HKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 ZINC000000854655 568712563 /nfs/dbraw/zinc/71/25/63/568712563.db2.gz HOYCNZGAXMXRFI-GMMLXXJASA-N 0 0 407.513 5.264 50 0 HKAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 ZINC000000854656 568712619 /nfs/dbraw/zinc/71/26/19/568712619.db2.gz HOYCNZGAXMXRFI-QDBPJBAASA-N 0 0 407.513 5.264 50 0 HKAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 ZINC000000854657 568712567 /nfs/dbraw/zinc/71/25/67/568712567.db2.gz HOYCNZGAXMXRFI-MSVKLTOBSA-N 0 0 407.513 5.264 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000000854698 557102487 /nfs/dbraw/zinc/10/24/87/557102487.db2.gz NXXYRSNYJRMXBQ-UHFFFAOYSA-N 0 0 405.679 5.627 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000854702 557102460 /nfs/dbraw/zinc/10/24/60/557102460.db2.gz WZGGUIXYOGKQDG-UHFFFAOYSA-N 0 0 416.091 6.516 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1 ZINC000000854703 557102573 /nfs/dbraw/zinc/10/25/73/557102573.db2.gz TXLLVMAMFOIFFR-UHFFFAOYSA-N 0 0 407.253 5.226 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000000854709 557102456 /nfs/dbraw/zinc/10/24/56/557102456.db2.gz PVHZDEXMQPVIMH-UHFFFAOYSA-N 0 0 419.264 5.386 50 0 HKAARN Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1C ZINC000000854803 559289505 /nfs/dbraw/zinc/28/95/05/559289505.db2.gz SUIHQWFZPQUFKG-XMMPIXPASA-N 0 0 414.505 5.006 50 0 HKAARN Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1C ZINC000000854804 559289492 /nfs/dbraw/zinc/28/94/92/559289492.db2.gz SUIHQWFZPQUFKG-DEOSSOPVSA-N 0 0 414.505 5.006 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c(C)c1 ZINC000000854805 568712727 /nfs/dbraw/zinc/71/27/27/568712727.db2.gz VCDDNRYPGNIFLB-XMMPIXPASA-N 0 0 414.505 5.006 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c(C)c1 ZINC000000854806 568712693 /nfs/dbraw/zinc/71/26/93/568712693.db2.gz VCDDNRYPGNIFLB-DEOSSOPVSA-N 0 0 414.505 5.006 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 ZINC000000854807 568712649 /nfs/dbraw/zinc/71/26/49/568712649.db2.gz JAQGIRQFSWDQSO-XMMPIXPASA-N 0 0 414.505 5.006 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 ZINC000000854808 568712577 /nfs/dbraw/zinc/71/25/77/568712577.db2.gz JAQGIRQFSWDQSO-DEOSSOPVSA-N 0 0 414.505 5.006 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000000854809 557102560 /nfs/dbraw/zinc/10/25/60/557102560.db2.gz HDGDHSJHQAEVMI-HSZRJFAPSA-N 0 0 414.505 5.006 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000000854810 557102451 /nfs/dbraw/zinc/10/24/51/557102451.db2.gz HDGDHSJHQAEVMI-QHCPKHFHSA-N 0 0 414.505 5.006 50 0 HKAARN Cc1nc2n(Cc3ccccc3)c3ccccc3n2c1[C@H](O)C(Cl)(Cl)Cl ZINC000000854902 559289545 /nfs/dbraw/zinc/28/95/45/559289545.db2.gz SIJGFDNYEZUSDF-KRWDZBQOSA-N 0 0 408.716 5.049 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)N1CCS[C@H]1c1ccc2c3c(cccc31)CC2 ZINC000000855049 568712965 /nfs/dbraw/zinc/71/29/65/568712965.db2.gz JOCQQAHZMYCNIU-NRFANRHFSA-N 0 0 415.967 5.028 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc2c3c(cccc31)CC2 ZINC000000855050 568712900 /nfs/dbraw/zinc/71/29/00/568712900.db2.gz JOCQQAHZMYCNIU-OAQYLSRUSA-N 0 0 415.967 5.028 50 0 HKAARN O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000000855100 568712927 /nfs/dbraw/zinc/71/29/27/568712927.db2.gz QFSWTJVSRGJVTJ-NRFANRHFSA-N 0 0 415.967 5.028 50 0 HKAARN O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000000855102 568712864 /nfs/dbraw/zinc/71/28/64/568712864.db2.gz QFSWTJVSRGJVTJ-OAQYLSRUSA-N 0 0 415.967 5.028 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000855727 568712870 /nfs/dbraw/zinc/71/28/70/568712870.db2.gz IVYVXAFQCCTUDM-UHFFFAOYSA-N 0 0 418.802 5.863 50 0 HKAARN O=C(Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1)c1ccccc1 ZINC000000856177 557102786 /nfs/dbraw/zinc/10/27/86/557102786.db2.gz IFVIYJDOSBNXKD-UHFFFAOYSA-N 0 0 419.278 5.210 50 0 HKAARN Cc1ccc(Nc2nnc(-c3cc4cc(Br)ccc4oc3=O)s2)cc1 ZINC000000856276 568713158 /nfs/dbraw/zinc/71/31/58/568713158.db2.gz VWXFUHNGDHAAOI-UHFFFAOYSA-N 0 0 414.284 5.126 50 0 HKAARN COc1cccc2cc(-c3nnc(Nc4cccc(C(F)(F)F)c4)s3)c(=O)oc21 ZINC000000856282 557102778 /nfs/dbraw/zinc/10/27/78/557102778.db2.gz DPHOCNJIRXTXRS-UHFFFAOYSA-N 0 0 419.384 5.083 50 0 HKAARN COc1ccc2oc(=O)c(-c3nnc(Nc4cccc(C(F)(F)F)c4)s3)cc2c1 ZINC000000856284 557102731 /nfs/dbraw/zinc/10/27/31/557102731.db2.gz BKYPDWFINCTGRE-UHFFFAOYSA-N 0 0 419.384 5.083 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1cn2c(n1)sc1cc(F)ccc12 ZINC000000856323 568713124 /nfs/dbraw/zinc/71/31/24/568713124.db2.gz LYOFYYCHKIWOKS-UHFFFAOYSA-N 0 0 415.243 5.224 50 0 HKAARN COc1cccc2cc(-c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc21 ZINC000000856327 568713244 /nfs/dbraw/zinc/71/32/44/568713244.db2.gz DSBMMSNXMADRTQ-UHFFFAOYSA-N 0 0 419.289 5.976 50 0 HKAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccc(Cl)cc4Cl)n3)cc2c1 ZINC000000856328 568713190 /nfs/dbraw/zinc/71/31/90/568713190.db2.gz HYNQCPOHWMSTCI-UHFFFAOYSA-N 0 0 419.289 5.976 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccc(F)cc2)n1 ZINC000000856340 568713109 /nfs/dbraw/zinc/71/31/09/568713109.db2.gz YRMYGJYFCLYTBO-UHFFFAOYSA-N 0 0 417.259 5.562 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccccc2F)n1 ZINC000000856347 568713225 /nfs/dbraw/zinc/71/32/25/568713225.db2.gz XRFGMXRVMGWCES-UHFFFAOYSA-N 0 0 417.259 5.562 50 0 HKAARN COc1ccc2oc(=O)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2c1 ZINC000000856352 557102714 /nfs/dbraw/zinc/10/27/14/557102714.db2.gz XZJVWCUKWMRMME-UHFFFAOYSA-N 0 0 418.396 5.688 50 0 HKAARN COc1cccc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(=O)oc21 ZINC000000856354 568713135 /nfs/dbraw/zinc/71/31/35/568713135.db2.gz AFZXOVLATIIVER-UHFFFAOYSA-N 0 0 418.396 5.688 50 0 HKAARN CCC(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856786 569060280 /nfs/dbraw/zinc/06/02/80/569060280.db2.gz NLAFNXIXZAWYRM-MHZLTWQESA-N 0 0 423.597 5.642 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856787 569060263 /nfs/dbraw/zinc/06/02/63/569060263.db2.gz NLAFNXIXZAWYRM-HHHXNRCGSA-N 0 0 423.597 5.642 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856788 568713171 /nfs/dbraw/zinc/71/31/71/568713171.db2.gz FTNJPIBIZVZHFX-SANMLTNESA-N 0 0 409.570 5.252 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856789 568713240 /nfs/dbraw/zinc/71/32/40/568713240.db2.gz FTNJPIBIZVZHFX-AREMUKBSSA-N 0 0 409.570 5.252 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856818 569060271 /nfs/dbraw/zinc/06/02/71/569060271.db2.gz RRHDZAPINIYECO-ZCYQVOJMSA-N 0 0 409.570 5.423 50 0 biogenic HKAARN COc1ccc(CN(CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856819 569060243 /nfs/dbraw/zinc/06/02/43/569060243.db2.gz RRHDZAPINIYECO-UKILVPOCSA-N 0 0 409.570 5.423 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856820 569060287 /nfs/dbraw/zinc/06/02/87/569060287.db2.gz RRHDZAPINIYECO-NOZRDPDXSA-N 0 0 409.570 5.423 50 0 biogenic HKAARN COc1ccc(CN(CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000856821 569060244 /nfs/dbraw/zinc/06/02/44/569060244.db2.gz RRHDZAPINIYECO-ILBGXUMGSA-N 0 0 409.570 5.423 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856828 569060261 /nfs/dbraw/zinc/06/02/61/569060261.db2.gz VQQSZBVUKRUMRS-ZCYQVOJMSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856829 569060278 /nfs/dbraw/zinc/06/02/78/569060278.db2.gz VQQSZBVUKRUMRS-UKILVPOCSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856830 569060242 /nfs/dbraw/zinc/06/02/42/569060242.db2.gz VQQSZBVUKRUMRS-NOZRDPDXSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000856831 569060288 /nfs/dbraw/zinc/06/02/88/569060288.db2.gz VQQSZBVUKRUMRS-ILBGXUMGSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000000856951 522923934 /nfs/dbraw/zinc/92/39/34/522923934.db2.gz DUGWSLWIDPLVOK-SFHVURJKSA-N 0 0 407.564 5.794 50 0 biogenic HKAARN CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000000856952 523084014 /nfs/dbraw/zinc/08/40/14/523084014.db2.gz DUGWSLWIDPLVOK-GOSISDBHSA-N 0 0 407.564 5.794 50 0 biogenic HKAARN CCc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000856958 568713140 /nfs/dbraw/zinc/71/31/40/568713140.db2.gz ACYSLQUQVUDYRR-IBGZPJMESA-N 0 0 413.348 6.137 50 0 HKAARN CCc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000856959 568713249 /nfs/dbraw/zinc/71/32/49/568713249.db2.gz ACYSLQUQVUDYRR-LJQANCHMSA-N 0 0 413.348 6.137 50 0 HKAARN Cc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000000857087 569282361 /nfs/dbraw/zinc/28/23/61/569282361.db2.gz RNKLIESBJIJONW-UHFFFAOYSA-N 0 0 401.491 5.502 50 0 HKAARN CCc1cccc(CC)c1N(COC)C(=O)CSc1nc2ccccc2s1 ZINC000000857500 568713180 /nfs/dbraw/zinc/71/31/80/568713180.db2.gz WZIYXIPECKIMAX-UHFFFAOYSA-N 0 0 400.569 5.150 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)c3cccnc23)c(Cl)c1)c1ccccc1 ZINC000000858209 568713493 /nfs/dbraw/zinc/71/34/93/568713493.db2.gz XNUGKNIEEUUYOX-UHFFFAOYSA-N 0 0 409.272 6.586 50 0 HKAARN COc1ccc2nc(NC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)sc2c1 ZINC000000858262 557103323 /nfs/dbraw/zinc/10/33/23/557103323.db2.gz URRSJLGVJQGCDD-UHFFFAOYSA-N 0 0 409.511 5.076 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000858853 557103706 /nfs/dbraw/zinc/10/37/06/557103706.db2.gz ARIKKTZIAZDJQK-UHFFFAOYSA-N 0 0 420.925 5.319 50 0 HKAARN O=S(=O)(Nc1ccc(Sc2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000000859493 568713412 /nfs/dbraw/zinc/71/34/12/568713412.db2.gz ZBIBUXYQHFIWFR-UHFFFAOYSA-N 0 0 417.555 5.890 50 0 HKAARN COc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000000859614 559290683 /nfs/dbraw/zinc/29/06/83/559290683.db2.gz UHGJYYIORCDXPE-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 ZINC000000859833 569282398 /nfs/dbraw/zinc/28/23/98/569282398.db2.gz MSYMKPYEZNYFFY-UHFFFAOYSA-N 0 0 401.919 5.418 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 ZINC000000859835 557103644 /nfs/dbraw/zinc/10/36/44/557103644.db2.gz GTAVQTKMCVWIDJ-UHFFFAOYSA-N 0 0 401.919 5.418 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1 ZINC000000859875 568713408 /nfs/dbraw/zinc/71/34/08/568713408.db2.gz YOQILAMOUKXMNU-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc1 ZINC000000859878 569007727 /nfs/dbraw/zinc/00/77/27/569007727.db2.gz KBKVUJCGAWACLV-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)s1 ZINC000000860522 568714406 /nfs/dbraw/zinc/71/44/06/568714406.db2.gz AUDQZTBJYQVGIF-UHFFFAOYSA-N 0 0 408.346 5.207 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000000860540 557103673 /nfs/dbraw/zinc/10/36/73/557103673.db2.gz BCRPBCYEIGTDED-UHFFFAOYSA-N 0 0 420.921 6.393 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000000860542 569007766 /nfs/dbraw/zinc/00/77/66/569007766.db2.gz VOXVEABJZITXAJ-UHFFFAOYSA-N 0 0 412.518 5.245 50 0 HKAARN COc1cc([C@@H](O)c2nc3ccccc3n2C(C)C)ccc1OCc1ccccc1 ZINC000000860991 557104010 /nfs/dbraw/zinc/10/40/10/557104010.db2.gz DIEFLMVBXUBCFO-XMMPIXPASA-N 0 0 402.494 5.287 50 0 HKAARN COc1cc([C@H](O)c2nc3ccccc3n2C(C)C)ccc1OCc1ccccc1 ZINC000000860992 557103954 /nfs/dbraw/zinc/10/39/54/557103954.db2.gz DIEFLMVBXUBCFO-DEOSSOPVSA-N 0 0 402.494 5.287 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1 ZINC000000861013 557103960 /nfs/dbraw/zinc/10/39/60/557103960.db2.gz ZDWAKSZQZLGJIW-ZDUSSCGKSA-N 0 0 421.121 6.383 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 ZINC000000861255 557104002 /nfs/dbraw/zinc/10/40/02/557104002.db2.gz RWNJUEYZIKYSEY-MRXNPFEDSA-N 0 0 410.341 5.527 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 ZINC000000861256 557103923 /nfs/dbraw/zinc/10/39/23/557103923.db2.gz RWNJUEYZIKYSEY-INIZCTEOSA-N 0 0 410.341 5.527 50 0 HKAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cc(Br)c3ccccc3c2N1 ZINC000000861537 557103937 /nfs/dbraw/zinc/10/39/37/557103937.db2.gz JGQLHHQNSMXVRZ-HNNXBMFYSA-N 0 0 420.228 6.095 50 0 HKAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cc(Br)c3ccccc3c2N1 ZINC000000861538 557104295 /nfs/dbraw/zinc/10/42/95/557104295.db2.gz JGQLHHQNSMXVRZ-OAHLLOKOSA-N 0 0 420.228 6.095 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000000861576 557104310 /nfs/dbraw/zinc/10/43/10/557104310.db2.gz HFWVMOIQAFVPPL-UHFFFAOYSA-N 0 0 402.494 5.534 50 0 HKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000000861630 557104316 /nfs/dbraw/zinc/10/43/16/557104316.db2.gz BODBNVLBEGYLRT-UHFFFAOYSA-N 0 0 406.663 5.623 50 0 HKAARN Cc1nc2cc(NC(=O)c3sc4nc5cc(C)ccc5cc4c3N)ccc2s1 ZINC000000862107 568718166 /nfs/dbraw/zinc/71/81/66/568718166.db2.gz TUPUOOBLIFWVGY-UHFFFAOYSA-N 0 0 404.520 5.511 50 0 HKAARN COc1ccc2nc3sc(C(=O)Nc4ccc5sc(C)nc5c4)c(N)c3cc2c1 ZINC000000862109 568718241 /nfs/dbraw/zinc/71/82/41/568718241.db2.gz GRQRCCJAVXVBRT-UHFFFAOYSA-N 0 0 420.519 5.211 50 0 HKAARN COc1ccc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2c1 ZINC000000862120 568718175 /nfs/dbraw/zinc/71/81/75/568718175.db2.gz VQXIVXPXERSGGX-UHFFFAOYSA-N 0 0 417.412 5.311 50 0 HKAARN O[C@@H](CNc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000862361 557104289 /nfs/dbraw/zinc/10/42/89/557104289.db2.gz IHHSWIHPICYDLT-HNNXBMFYSA-N 0 0 419.739 6.228 50 0 HKAARN O[C@H](CNc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000862362 557104258 /nfs/dbraw/zinc/10/42/58/557104258.db2.gz IHHSWIHPICYDLT-OAHLLOKOSA-N 0 0 419.739 6.228 50 0 HKAARN COc1ccc(-c2cc(C(=O)Oc3cccc4cccnc43)c3ccccc3n2)cc1 ZINC000000863004 569009436 /nfs/dbraw/zinc/00/94/36/569009436.db2.gz NCVJLJIKUFDHPE-UHFFFAOYSA-N 0 0 406.441 5.678 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000000863291 568719560 /nfs/dbraw/zinc/71/95/60/568719560.db2.gz PGMMRSOIOPTZFU-UHFFFAOYSA-N 0 0 401.491 5.502 50 0 HKAARN CCOC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)C(C)(C)C ZINC000000863397 557104906 /nfs/dbraw/zinc/10/49/06/557104906.db2.gz NLLVEAVYWBEOOS-UHFFFAOYSA-N 0 0 416.543 5.087 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000864600 557105183 /nfs/dbraw/zinc/10/51/83/557105183.db2.gz FVDORDOEAJRSRY-LIKPIUCQSA-N 0 0 420.295 5.390 50 0 HKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000864603 557105166 /nfs/dbraw/zinc/10/51/66/557105166.db2.gz FVDORDOEAJRSRY-UJKMTWAASA-N 0 0 420.295 5.390 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)oc2c(C)c1 ZINC000000864717 557105215 /nfs/dbraw/zinc/10/52/15/557105215.db2.gz ATPTZLQEYKANML-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)oc2c(C)c1 ZINC000000864718 557105198 /nfs/dbraw/zinc/10/51/98/557105198.db2.gz KFOVRNASENUJDQ-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)oc2c1 ZINC000000864872 557105111 /nfs/dbraw/zinc/10/51/11/557105111.db2.gz CGLSEJJZMXBVFY-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865314 568722610 /nfs/dbraw/zinc/72/26/10/568722610.db2.gz DMDSCTDBRKLCFS-PKOBYXMFSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865315 568722598 /nfs/dbraw/zinc/72/25/98/568722598.db2.gz DMDSCTDBRKLCFS-IEBWSBKVSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865316 568722551 /nfs/dbraw/zinc/72/25/51/568722551.db2.gz DMDSCTDBRKLCFS-HKUYNNGSSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865317 568722617 /nfs/dbraw/zinc/72/26/17/568722617.db2.gz DMDSCTDBRKLCFS-MJGOQNOKSA-N 0 0 414.431 5.358 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1C ZINC000000865318 568722477 /nfs/dbraw/zinc/72/24/77/568722477.db2.gz CVNBCEPIXGGLGB-PKOBYXMFSA-N 0 0 414.431 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1C ZINC000000865319 568722839 /nfs/dbraw/zinc/72/28/39/568722839.db2.gz CVNBCEPIXGGLGB-IEBWSBKVSA-N 0 0 414.431 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1C ZINC000000865320 568722856 /nfs/dbraw/zinc/72/28/56/568722856.db2.gz CVNBCEPIXGGLGB-HKUYNNGSSA-N 0 0 414.431 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1C ZINC000000865321 568722800 /nfs/dbraw/zinc/72/28/00/568722800.db2.gz CVNBCEPIXGGLGB-MJGOQNOKSA-N 0 0 414.431 5.413 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000000865339 557105482 /nfs/dbraw/zinc/10/54/82/557105482.db2.gz CERZYGYOMCBFJX-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000000865342 557105512 /nfs/dbraw/zinc/10/55/12/557105512.db2.gz PHXANQRUGOEFDM-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc(Br)c1 ZINC000000865343 557105502 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557119315 /nfs/dbraw/zinc/11/93/15/557119315.db2.gz JWBWVNYXXMJECX-CQSZACIVSA-N 0 0 400.544 5.118 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C(F)(F)F ZINC000000921024 568750749 /nfs/dbraw/zinc/75/07/49/568750749.db2.gz OBNOSIVPUCLHIV-RMKNXTFCSA-N 0 0 400.194 5.128 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1ccc2c(c1)OCO2 ZINC000000921835 557119486 /nfs/dbraw/zinc/11/94/86/557119486.db2.gz OPRNBMJHKZRTLH-UHFFFAOYSA-N 0 0 406.221 5.043 50 0 HKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccccc2)o1 ZINC000000921878 526142446 /nfs/dbraw/zinc/14/24/46/526142446.db2.gz AYQGFKIZSAKEBZ-UHFFFAOYSA-N 0 0 405.523 5.366 50 0 HKAARN COc1ccc(OCCn2c3ccccc3nc2NC(=O)c2ccccc2Cl)cc1 ZINC000000924125 568750727 /nfs/dbraw/zinc/75/07/27/568750727.db2.gz COERLSVTECMDGQ-UHFFFAOYSA-N 0 0 421.884 5.030 50 0 HKAARN c1ccc(CSc2nnc(CCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000000924633 568750703 /nfs/dbraw/zinc/75/07/03/568750703.db2.gz NUVXTBGCEPPRFI-UHFFFAOYSA-N 0 0 411.534 5.221 50 0 HKAARN 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/nfs/dbraw/zinc/75/30/82/568753082.db2.gz WRMNXEGFXKGJOT-UHFFFAOYSA-N 0 0 402.402 5.122 50 0 biogenic HKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000000940538 568752968 /nfs/dbraw/zinc/75/29/68/568752968.db2.gz VGDOKKSRWSNIDW-UHFFFAOYSA-N 0 0 420.486 6.164 50 0 HKAARN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000000940630 557121333 /nfs/dbraw/zinc/12/13/33/557121333.db2.gz VATLJHBWYCYVTQ-UHFFFAOYSA-N 0 0 421.474 5.077 50 0 HKAARN CCOc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1 ZINC000000940635 557121388 /nfs/dbraw/zinc/12/13/88/557121388.db2.gz JCKLKAUKMOHAPS-UHFFFAOYSA-N 0 0 423.490 5.297 50 0 HKAARN CCCc1oc2cc(OC(C)C)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000000940961 569060245 /nfs/dbraw/zinc/06/02/45/569060245.db2.gz QWIYOUQMTVUNJB-UHFFFAOYSA-N 0 0 408.494 5.533 50 0 biogenic HKAARN O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000000941244 557121382 /nfs/dbraw/zinc/12/13/82/557121382.db2.gz JGVMQLFNFGKKGK-UHFFFAOYSA-N 0 0 402.064 5.083 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2o1 ZINC000000941311 557121631 /nfs/dbraw/zinc/12/16/31/557121631.db2.gz JJWRKBDIMRGFIR-UHFFFAOYSA-N 0 0 406.821 5.421 50 0 HKAARN COc1cccc(OC)c1C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000941382 557121704 /nfs/dbraw/zinc/12/17/04/557121704.db2.gz IFDRPQWTWZTUPX-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000000941401 568753266 /nfs/dbraw/zinc/75/32/66/568753266.db2.gz HNPARMRAULTGCR-UHFFFAOYSA-N 0 0 409.276 5.933 50 0 HKAARN COc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000000941410 557121670 /nfs/dbraw/zinc/12/16/70/557121670.db2.gz VCKVLEJHFKRMFF-UHFFFAOYSA-N 0 0 407.520 5.098 50 0 HKAARN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000941497 568753234 /nfs/dbraw/zinc/75/32/34/568753234.db2.gz DXECEQOFDSQKEG-WEVVVXLNSA-N 0 0 417.328 5.418 50 0 HKAARN CCCc1cc2c(cc1OC(=O)CC)oc(CC)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000000941918 568753539 /nfs/dbraw/zinc/75/35/39/568753539.db2.gz FFSDVPAXKJREGP-UHFFFAOYSA-N 0 0 422.477 5.062 50 0 HKAARN COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000942057 557121655 /nfs/dbraw/zinc/12/16/55/557121655.db2.gz NWTQYYPBUXWHOO-UHFFFAOYSA-N 0 0 410.267 5.155 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 ZINC000000942445 557121707 /nfs/dbraw/zinc/12/17/07/557121707.db2.gz BQWFVSBDMHYAJM-UKTHLTGXSA-N 0 0 411.860 5.719 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000000942448 557121605 /nfs/dbraw/zinc/12/16/05/557121605.db2.gz GKXQVILZDGHEPR-WLRTZDKTSA-N 0 0 411.860 5.719 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000000942452 557121715 /nfs/dbraw/zinc/12/17/15/557121715.db2.gz WLXOURBOTAVDIG-RIYZIHGNSA-N 0 0 407.897 5.888 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000000942454 557121700 /nfs/dbraw/zinc/12/17/00/557121700.db2.gz ZSZYDRYJSRFJFA-UKTHLTGXSA-N 0 0 407.897 5.888 50 0 HKAARN COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 ZINC000000942462 557121978 /nfs/dbraw/zinc/12/19/78/557121978.db2.gz VHJIHWIOEJXGEZ-UKTHLTGXSA-N 0 0 423.896 5.588 50 0 HKAARN COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000000942464 557121826 /nfs/dbraw/zinc/12/18/26/557121826.db2.gz JSOFTMKNIWJDKO-MKMNVTDBSA-N 0 0 423.896 5.588 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2nccs2)ccc1OCc1ccc(Cl)cc1 ZINC000000942474 557121861 /nfs/dbraw/zinc/12/18/61/557121861.db2.gz ROJSXEUHNHOYGL-WEVVVXLNSA-N 0 0 400.887 5.036 50 0 HKAARN Cc1cccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)c1 ZINC000000942717 569277008 /nfs/dbraw/zinc/27/70/08/569277008.db2.gz VZZAKTWDFIMMQN-UHFFFAOYSA-N 0 0 406.821 5.766 50 0 HKAARN CC(C)COC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000000942740 568753770 /nfs/dbraw/zinc/75/37/70/568753770.db2.gz BKQWGUVHNTZAMU-UHFFFAOYSA-N 0 0 424.493 5.461 50 0 HKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000000942762 568753758 /nfs/dbraw/zinc/75/37/58/568753758.db2.gz ZKYIAQRLEVCMFZ-UHFFFAOYSA-N 0 0 408.328 5.448 50 0 HKAARN Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000000942902 569060241 /nfs/dbraw/zinc/06/02/41/569060241.db2.gz IDXIXWMSSZVCRV-UHFFFAOYSA-N 0 0 418.420 5.258 50 0 biogenic HKAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br ZINC000000943514 557121943 /nfs/dbraw/zinc/12/19/43/557121943.db2.gz QQGVWHSVBVKSHV-XVNBXDOJSA-N 0 0 401.087 5.416 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1Br ZINC000000943532 557121995 /nfs/dbraw/zinc/12/19/95/557121995.db2.gz YWFBZRUSIRFXJI-VQHVLOKHSA-N 0 0 400.194 5.128 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br ZINC000000943534 557121948 /nfs/dbraw/zinc/12/19/48/557121948.db2.gz XHEXESLACCGZKS-SOFGYWHQSA-N 0 0 400.194 5.128 50 0 HKAARN COC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC ZINC000000943583 557121819 /nfs/dbraw/zinc/12/18/19/557121819.db2.gz ROPXNRJFIRYIKM-GQCTYLIASA-N 0 0 414.672 5.094 50 0 HKAARN COC(=O)c1cc(Cl)c(NC(=O)c2ccccc2CCc2ccccc2)cc1OC ZINC000000943595 557122291 /nfs/dbraw/zinc/12/22/91/557122291.db2.gz VQGSMSGKTHTTLY-UHFFFAOYSA-N 0 0 423.896 5.173 50 0 HKAARN O=C(COc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000943661 557122285 /nfs/dbraw/zinc/12/22/85/557122285.db2.gz ZOTZOZGCFRRWRF-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN COc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 ZINC000000943672 568753552 /nfs/dbraw/zinc/75/35/52/568753552.db2.gz OXYJYIDZNVOXOR-UHFFFAOYSA-N 0 0 405.494 5.047 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 ZINC000000943769 557122193 /nfs/dbraw/zinc/12/21/93/557122193.db2.gz RYVQXKQXDURGHZ-UHFFFAOYSA-N 0 0 401.329 5.750 50 0 HKAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1C ZINC000000943895 557122167 /nfs/dbraw/zinc/12/21/67/557122167.db2.gz PZNJMQYBWVOXQY-UHFFFAOYSA-N 0 0 417.328 5.207 50 0 HKAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 ZINC000000943898 557122213 /nfs/dbraw/zinc/12/22/13/557122213.db2.gz DMSCSMRSBGQTDS-UHFFFAOYSA-N 0 0 417.328 5.207 50 0 HKAARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000000943899 557122209 /nfs/dbraw/zinc/12/22/09/557122209.db2.gz XIIRUDIXPYTNGT-UHFFFAOYSA-N 0 0 417.328 5.207 50 0 HKAARN O=C(COc1cccc(Br)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000943920 557122252 /nfs/dbraw/zinc/12/22/52/557122252.db2.gz BCUHJOMFOLIJKO-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN O=C(COc1ccccc1Br)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000943921 557122147 /nfs/dbraw/zinc/12/21/47/557122147.db2.gz LNGLQDAIJKRXQR-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc2ccccc2s1 ZINC000000943943 557122189 /nfs/dbraw/zinc/12/21/89/557122189.db2.gz BDPUEXBZKARNDW-UHFFFAOYSA-N 0 0 419.344 5.374 50 0 HKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)cc2Cl ZINC000000944063 557122156 /nfs/dbraw/zinc/12/21/56/557122156.db2.gz OXDIQSKQEXPFFA-UHFFFAOYSA-N 0 0 419.930 5.696 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c(Cl)c2)c(C)c1 ZINC000000944075 557122177 /nfs/dbraw/zinc/12/21/77/557122177.db2.gz CJPBDRPCAJZJTH-UHFFFAOYSA-N 0 0 417.914 5.331 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)c(C)c1 ZINC000000944105 557122170 /nfs/dbraw/zinc/12/21/70/557122170.db2.gz UHSKJAJTEMYEOK-UHFFFAOYSA-N 0 0 419.546 6.191 50 0 HKAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc32)cc1 ZINC000000944212 568754402 /nfs/dbraw/zinc/75/44/02/568754402.db2.gz NPIZUNSDNJBRKY-UHFFFAOYSA-N 0 0 412.873 5.294 50 0 HKAARN COc1ccccc1N1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc32)CC1 ZINC000000944306 524566420 /nfs/dbraw/zinc/56/64/20/524566420.db2.gz QLMFUUPGLIMFTF-UHFFFAOYSA-N 0 0 424.548 5.249 50 0 HKAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000000944326 568754316 /nfs/dbraw/zinc/75/43/16/568754316.db2.gz NAHZSKBDDNSPQF-UHFFFAOYSA-N 0 0 405.475 5.519 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 ZINC000000944534 568754404 /nfs/dbraw/zinc/75/44/04/568754404.db2.gz RJYOVUQIOZBGGK-HNNXBMFYSA-N 0 0 421.518 5.520 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000000944535 568754348 /nfs/dbraw/zinc/75/43/48/568754348.db2.gz RJYOVUQIOZBGGK-OAHLLOKOSA-N 0 0 421.518 5.520 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c1 ZINC000000944542 568754388 /nfs/dbraw/zinc/75/43/88/568754388.db2.gz MBZNDJBKZOWREV-QGZVFWFLSA-N 0 0 411.567 6.001 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c1 ZINC000000944543 569321939 /nfs/dbraw/zinc/32/19/39/569321939.db2.gz MBZNDJBKZOWREV-KRWDZBQOSA-N 0 0 411.567 6.001 50 0 HKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000000944544 557122485 /nfs/dbraw/zinc/12/24/85/557122485.db2.gz JYAPLDZBJOZAHD-UHFFFAOYSA-N 0 0 407.491 5.515 50 0 HKAARN Cc1nn(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1Sc1ccccc1 ZINC000000944596 568754386 /nfs/dbraw/zinc/75/43/86/568754386.db2.gz YEOQKJAGXSEXOH-UHFFFAOYSA-N 0 0 412.514 5.571 50 0 HKAARN Cc1nn(C(=O)COc2ccccc2Br)c(C)c1Sc1ccccc1 ZINC000000944598 557122455 /nfs/dbraw/zinc/12/24/55/557122455.db2.gz RMXUZWLQRZLICS-UHFFFAOYSA-N 0 0 417.328 5.133 50 0 HKAARN CC(C)c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 ZINC000000944686 568754395 /nfs/dbraw/zinc/75/43/95/568754395.db2.gz UKIIGBOKZMCEHC-UHFFFAOYSA-N 0 0 403.507 5.997 50 0 HKAARN O=C(Oc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2oc1=O ZINC000000944932 568754380 /nfs/dbraw/zinc/75/43/80/568754380.db2.gz HHNFMPCOTDEDDU-UHFFFAOYSA-N 0 0 414.038 5.082 50 0 HKAARN Cc1cc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc(C)c1Cl ZINC000000944963 568754324 /nfs/dbraw/zinc/75/43/24/568754324.db2.gz HWJXPSHHOVOXCZ-UHFFFAOYSA-N 0 0 407.647 5.045 50 0 HKAARN CCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000000944968 557122858 /nfs/dbraw/zinc/12/28/58/557122858.db2.gz XUUMHQZLPPOLCJ-UHFFFAOYSA-N 0 0 406.320 5.163 50 0 HKAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc(C)cc4)ccc3c2=O)cc1 ZINC000000945041 568754393 /nfs/dbraw/zinc/75/43/93/568754393.db2.gz MCOMNBIQUYRWIM-UHFFFAOYSA-N 0 0 402.402 5.122 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 ZINC000000945042 568754370 /nfs/dbraw/zinc/75/43/70/568754370.db2.gz GTFYVERHJDSZPR-UHFFFAOYSA-N 0 0 422.820 5.467 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000000945043 568754391 /nfs/dbraw/zinc/75/43/91/568754391.db2.gz DQCUPXCUHSPDRL-UHFFFAOYSA-N 0 0 422.820 5.467 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000000945044 568754418 /nfs/dbraw/zinc/75/44/18/568754418.db2.gz JOHVIKRMKJHJFK-UHFFFAOYSA-N 0 0 422.820 5.467 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4C)ccc3c2=O)cc1 ZINC000000945048 568754313 /nfs/dbraw/zinc/75/43/13/568754313.db2.gz PPBGHUAWWFWXTC-UHFFFAOYSA-N 0 0 402.402 5.122 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 ZINC000000945050 568754352 /nfs/dbraw/zinc/75/43/52/568754352.db2.gz QTAOPAQKPYXTKO-UHFFFAOYSA-N 0 0 408.837 5.826 50 0 HKAARN COc1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000000945051 568754329 /nfs/dbraw/zinc/75/43/29/568754329.db2.gz ZQUJKRZEDQBSJV-UHFFFAOYSA-N 0 0 408.837 5.826 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000000945052 568754330 /nfs/dbraw/zinc/75/43/30/568754330.db2.gz WLICGUVESIHQHX-UHFFFAOYSA-N 0 0 408.837 5.826 50 0 biogenic HKAARN COc1ccc(Oc2c(=O)c3ccc(OC(=O)C(C)C)cc3oc2C(F)(F)F)cc1 ZINC000000945155 568754531 /nfs/dbraw/zinc/75/45/31/568754531.db2.gz JXHBKJJTKNOREQ-UHFFFAOYSA-N 0 0 422.355 5.174 50 0 HKAARN CC(C)c1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000000945290 568754566 /nfs/dbraw/zinc/75/45/66/568754566.db2.gz JRWOCEIMDMUMFS-UHFFFAOYSA-N 0 0 418.493 5.422 50 0 HKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(-c1cc3ccccc3o1)c2=O ZINC000000945297 568754565 /nfs/dbraw/zinc/75/45/65/568754565.db2.gz UWMFZNWGGSWAIG-UHFFFAOYSA-N 0 0 416.351 5.713 50 0 HKAARN Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C)cc3Br)cc2)cc1 ZINC000000945323 557122809 /nfs/dbraw/zinc/12/28/09/557122809.db2.gz MYKJKOTXTVGQOJ-UHFFFAOYSA-N 0 0 410.311 5.750 50 0 HKAARN COc1cc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)cc1Cl ZINC000000945324 557122866 /nfs/dbraw/zinc/12/28/66/557122866.db2.gz UDHBPEXBMGNXAZ-UHFFFAOYSA-N 0 0 411.885 5.350 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)SCc2ccco2)cc1OC ZINC000000945403 568754541 /nfs/dbraw/zinc/75/45/41/568754541.db2.gz VYGBWSQSCQKLTI-JOCHJYFZSA-N 0 0 416.926 6.198 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)SCc2ccco2)cc1OC ZINC000000945404 568754498 /nfs/dbraw/zinc/75/44/98/568754498.db2.gz VYGBWSQSCQKLTI-QFIPXVFZSA-N 0 0 416.926 6.198 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1OC ZINC000000945405 568754487 /nfs/dbraw/zinc/75/44/87/568754487.db2.gz ULBKTHAHCYWOJY-OAQYLSRUSA-N 0 0 402.899 6.057 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1OC ZINC000000945406 568754508 /nfs/dbraw/zinc/75/45/08/568754508.db2.gz ULBKTHAHCYWOJY-NRFANRHFSA-N 0 0 402.899 6.057 50 0 HKAARN O=C(C[C@H](Sc1ccccc1)c1cc2c(c(Cl)c1)OCO2)c1cccs1 ZINC000000945411 568754528 /nfs/dbraw/zinc/75/45/28/568754528.db2.gz ZETBMDUOKSBYOL-IBGZPJMESA-N 0 0 402.924 6.237 50 0 HKAARN O=C(C[C@@H](Sc1ccccc1)c1cc2c(c(Cl)c1)OCO2)c1cccs1 ZINC000000945412 568754550 /nfs/dbraw/zinc/75/45/50/568754550.db2.gz ZETBMDUOKSBYOL-LJQANCHMSA-N 0 0 402.924 6.237 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc1OC ZINC000000945413 568754496 /nfs/dbraw/zinc/75/44/96/568754496.db2.gz WJNFVWHDJFGFIH-OAQYLSRUSA-N 0 0 418.967 6.525 50 0 HKAARN COc1ccc([C@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc1OC ZINC000000945414 568754494 /nfs/dbraw/zinc/75/44/94/568754494.db2.gz WJNFVWHDJFGFIH-NRFANRHFSA-N 0 0 418.967 6.525 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(OCc2ccccc2)cc1 ZINC000000945440 557122836 /nfs/dbraw/zinc/12/28/36/557122836.db2.gz TVDVJDMHFSVDNT-UHFFFAOYSA-N 0 0 418.493 5.704 50 0 HKAARN Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1 ZINC000000946425 557123191 /nfs/dbraw/zinc/12/31/91/557123191.db2.gz UXHIFEJNBGNEQP-UHFFFAOYSA-N 0 0 404.348 6.022 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000946430 557123115 /nfs/dbraw/zinc/12/31/15/557123115.db2.gz IFDISHGROHLGPM-JOCHJYFZSA-N 0 0 406.526 5.193 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000946431 557123165 /nfs/dbraw/zinc/12/31/65/557123165.db2.gz IFDISHGROHLGPM-QFIPXVFZSA-N 0 0 406.526 5.193 50 0 HKAARN CCCC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946456 568754548 /nfs/dbraw/zinc/75/45/48/568754548.db2.gz ZQGOWTYJSUUCAZ-UHFFFAOYSA-N 0 0 403.228 5.053 50 0 HKAARN CC(C)(C)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946460 568754536 /nfs/dbraw/zinc/75/45/36/568754536.db2.gz RVEOWKIQJPWWNE-UHFFFAOYSA-N 0 0 417.255 5.299 50 0 HKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1OC)c2=O ZINC000000946481 568754514 /nfs/dbraw/zinc/75/45/14/568754514.db2.gz BJIMYQXGAFBRNP-UHFFFAOYSA-N 0 0 408.328 5.023 50 0 HKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)C(C)C)cc2oc1C(F)(F)F ZINC000000946482 557123188 /nfs/dbraw/zinc/12/31/88/557123188.db2.gz NABHMCBCMRKMJZ-UHFFFAOYSA-N 0 0 406.356 5.049 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC ZINC000000946915 557123053 /nfs/dbraw/zinc/12/30/53/557123053.db2.gz OAVLIKGYHWPMHG-UHFFFAOYSA-N 0 0 423.321 5.310 50 0 HKAARN Cc1cc(I)ccc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000000946941 557123111 /nfs/dbraw/zinc/12/31/11/557123111.db2.gz INKYZPSZZKOEHZ-UHFFFAOYSA-N 0 0 423.294 5.049 50 0 HKAARN COc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccc(OC)c(OC)c2)cc1 ZINC000000947100 568754650 /nfs/dbraw/zinc/75/46/50/568754650.db2.gz NOXANQCYEKBZRH-DEOSSOPVSA-N 0 0 423.534 5.401 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccc(OC)c(OC)c2)cc1 ZINC000000947101 568754681 /nfs/dbraw/zinc/75/46/81/568754681.db2.gz NOXANQCYEKBZRH-XMMPIXPASA-N 0 0 423.534 5.401 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000947104 568754721 /nfs/dbraw/zinc/75/47/21/568754721.db2.gz WIVVYVCCVGDHBF-XMMPIXPASA-N 0 0 405.519 6.070 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000947105 568754678 /nfs/dbraw/zinc/75/46/78/568754678.db2.gz WIVVYVCCVGDHBF-DEOSSOPVSA-N 0 0 405.519 6.070 50 0 HKAARN CCN1c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c3cccc(c23)C1=O ZINC000000947131 568754642 /nfs/dbraw/zinc/75/46/42/568754642.db2.gz APZLETJVMJMULQ-UHFFFAOYSA-N 0 0 420.468 5.303 50 0 HKAARN COc1cc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc(OC)c1OC ZINC000000947294 568754656 /nfs/dbraw/zinc/75/46/56/568754656.db2.gz AMLIAEBWUHGKQL-OAQYLSRUSA-N 0 0 411.548 6.132 50 0 HKAARN COc1cc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc(OC)c1OC ZINC000000947295 568754710 /nfs/dbraw/zinc/75/47/10/568754710.db2.gz AMLIAEBWUHGKQL-NRFANRHFSA-N 0 0 411.548 6.132 50 0 HKAARN CCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000000947499 557123176 /nfs/dbraw/zinc/12/31/76/557123176.db2.gz OHYLVMRBTNTHOT-UHFFFAOYSA-N 0 0 416.429 5.194 50 0 HKAARN COC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000000947500 557123429 /nfs/dbraw/zinc/12/34/29/557123429.db2.gz DXODOHITLCSPMY-INIZCTEOSA-N 0 0 416.429 5.193 50 0 HKAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000000947501 557123403 /nfs/dbraw/zinc/12/34/03/557123403.db2.gz DXODOHITLCSPMY-MRXNPFEDSA-N 0 0 416.429 5.193 50 0 HKAARN Ic1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000947592 557123383 /nfs/dbraw/zinc/12/33/83/557123383.db2.gz RHPGDHGAPKMVIE-UHFFFAOYSA-N 0 0 424.245 5.040 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)cc2)n1)CCCC3 ZINC000000947706 557123399 /nfs/dbraw/zinc/12/33/99/557123399.db2.gz CITRHEULFQCEQO-UHFFFAOYSA-N 0 0 403.960 5.263 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000000947710 568754672 /nfs/dbraw/zinc/75/46/72/568754672.db2.gz UCKAKKDFKKMMLZ-GFCCVEGCSA-N 0 0 407.564 5.581 50 0 HKAARN COc1ccccc1NC(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc21 ZINC000000947750 557123448 /nfs/dbraw/zinc/12/34/48/557123448.db2.gz SMQKOHALSAGURM-UHFFFAOYSA-N 0 0 421.547 5.406 50 0 HKAARN COc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000947916 557123424 /nfs/dbraw/zinc/12/34/24/557123424.db2.gz XJVLXRMNDAHOKS-QFIPXVFZSA-N 0 0 414.910 5.137 50 0 HKAARN COc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000947917 557123492 /nfs/dbraw/zinc/12/34/92/557123492.db2.gz XJVLXRMNDAHOKS-JOCHJYFZSA-N 0 0 414.910 5.137 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000947918 568754635 /nfs/dbraw/zinc/75/46/35/568754635.db2.gz JOHYDNBMGWOZNE-JOCHJYFZSA-N 0 0 414.910 5.137 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000947919 568754666 /nfs/dbraw/zinc/75/46/66/568754666.db2.gz JOHYDNBMGWOZNE-QFIPXVFZSA-N 0 0 414.910 5.137 50 0 HKAARN O=C(Nc1ccc(I)cc1)N(c1ccccc1)c1ccccc1 ZINC000000947968 568754716 /nfs/dbraw/zinc/75/47/16/568754716.db2.gz IGPKGWCJSSXVNJ-UHFFFAOYSA-N 0 0 414.246 5.661 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000000948023 568754696 /nfs/dbraw/zinc/75/46/96/568754696.db2.gz NVDCCKPNBYXIDV-UHFFFAOYSA-N 0 0 416.911 5.684 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 ZINC000000948247 568754868 /nfs/dbraw/zinc/75/48/68/568754868.db2.gz SFHFFBKUHWRHMB-UHFFFAOYSA-N 0 0 403.301 5.224 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 ZINC000000948256 568754869 /nfs/dbraw/zinc/75/48/69/568754869.db2.gz YBCWXMNPHAITLJ-UHFFFAOYSA-N 0 0 424.566 5.832 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)COc3ccc(C(C)C)c(C)c3)n2)cc1 ZINC000000948259 568754893 /nfs/dbraw/zinc/75/48/93/568754893.db2.gz YYIDXJKPGOODHA-UHFFFAOYSA-N 0 0 410.539 5.658 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccco1 ZINC000000948368 557123460 /nfs/dbraw/zinc/12/34/60/557123460.db2.gz CLPAEVAWFPKFEV-MDZDMXLPSA-N 0 0 401.871 5.490 50 0 HKAARN COc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1 ZINC000000948437 568754198 /nfs/dbraw/zinc/75/41/98/568754198.db2.gz VNFHBQGIACCELU-UHFFFAOYSA-N 0 0 402.397 6.178 50 0 HKAARN COc1ccc(-c2csc3ncnc(NCCc4ccc(OC)c(OC)c4)c23)cc1 ZINC000000948444 568754510 /nfs/dbraw/zinc/75/45/10/568754510.db2.gz UNFKTLPXUDMGHM-UHFFFAOYSA-N 0 0 421.522 5.039 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000000948488 557123694 /nfs/dbraw/zinc/12/36/94/557123694.db2.gz KUYNVPJZZNCITK-SDNWHVSQSA-N 0 0 407.491 5.252 50 0 HKAARN CC(=O)CSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1-c1ccccc1 ZINC000000948521 568754677 /nfs/dbraw/zinc/75/46/77/568754677.db2.gz SEIQPYDCMNMASG-UHFFFAOYSA-N 0 0 406.532 5.104 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1cccnc1 ZINC000000948531 568755338 /nfs/dbraw/zinc/75/53/38/568755338.db2.gz FRIJFYUVEHORGE-UHFFFAOYSA-N 0 0 409.397 5.353 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1ccncc1 ZINC000000948532 568755326 /nfs/dbraw/zinc/75/53/26/568755326.db2.gz XTAMZLQCOXSODS-UHFFFAOYSA-N 0 0 409.397 5.353 50 0 HKAARN Cc1sc2nc(NC(=O)c3sc4ccccc4c3Cl)sc(=O)c2c1C ZINC000000948558 557123698 /nfs/dbraw/zinc/12/36/98/557123698.db2.gz PTJKMZYYFSMPSY-UHFFFAOYSA-N 0 0 406.941 5.455 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(OC)c(OC)c1 ZINC000000948615 568755190 /nfs/dbraw/zinc/75/51/90/568755190.db2.gz VSMFZKYUNUKNJV-UHFFFAOYSA-N 0 0 400.862 5.134 50 0 HKAARN Clc1ccc(-c2nc3ccccc3c(Nc3ccc4c(c3)OCCO4)n2)c(Cl)c1 ZINC000000948647 557123720 /nfs/dbraw/zinc/12/37/20/557123720.db2.gz GNGHQCMRIDESKT-UHFFFAOYSA-N 0 0 424.287 6.118 50 0 HKAARN COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 ZINC000000948775 568754885 /nfs/dbraw/zinc/75/48/85/568754885.db2.gz DKNSINMCUOGLNN-UHFFFAOYSA-N 0 0 422.868 5.816 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccccc4C)ccc3c2=O)c1 ZINC000000948951 568755030 /nfs/dbraw/zinc/75/50/30/568755030.db2.gz BKLIBLVHEVNGOD-UHFFFAOYSA-N 0 0 400.430 5.730 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)c1 ZINC000000948954 568755015 /nfs/dbraw/zinc/75/50/15/568755015.db2.gz AERMFPLGAFWIFD-UHFFFAOYSA-N 0 0 404.393 5.560 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 ZINC000000948955 568755071 /nfs/dbraw/zinc/75/50/71/568755071.db2.gz MDODMCFWNLIIQK-KRWDZBQOSA-N 0 0 410.466 5.169 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 ZINC000000948956 568755025 /nfs/dbraw/zinc/75/50/25/568755025.db2.gz MDODMCFWNLIIQK-QGZVFWFLSA-N 0 0 410.466 5.169 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000948963 568755014 /nfs/dbraw/zinc/75/50/14/568755014.db2.gz YMNHUUKICUUOHG-UHFFFAOYSA-N 0 0 416.429 5.430 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)ccc2C)c3=O)cc1 ZINC000000948964 568754970 /nfs/dbraw/zinc/75/49/70/568754970.db2.gz XEHFVCAQGLETHQ-UHFFFAOYSA-N 0 0 416.429 5.430 50 0 biogenic HKAARN Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000000948967 557123713 /nfs/dbraw/zinc/12/37/13/557123713.db2.gz SLAJMGJAVMKWOY-UHFFFAOYSA-N 0 0 422.477 5.457 50 0 HKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(Cl)ccc1OC ZINC000000949020 568755085 /nfs/dbraw/zinc/75/50/85/568755085.db2.gz GBPONOXHGQKXBA-UHFFFAOYSA-N 0 0 400.862 5.216 50 0 HKAARN Cc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2c1 ZINC000000949351 568755368 /nfs/dbraw/zinc/75/53/68/568755368.db2.gz KRJOFINFSJAEJL-UHFFFAOYSA-N 0 0 401.516 6.134 50 0 HKAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000000949592 568755381 /nfs/dbraw/zinc/75/53/81/568755381.db2.gz LWMAVUSDBRXXOO-UHFFFAOYSA-N 0 0 419.264 5.249 50 0 HKAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc2ccccc21 ZINC000000949598 568755413 /nfs/dbraw/zinc/75/54/13/568755413.db2.gz CNCPAMJISJJEPD-UHFFFAOYSA-N 0 0 400.434 5.095 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000000949893 568755946 /nfs/dbraw/zinc/75/59/46/568755946.db2.gz GPQSYPRKADVDJW-UHFFFAOYSA-N 0 0 406.338 5.400 50 0 HKAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000000949894 568755944 /nfs/dbraw/zinc/75/59/44/568755944.db2.gz CVNMPHJHHKNLQI-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000949896 568755974 /nfs/dbraw/zinc/75/59/74/568755974.db2.gz YZCFRMIIRFUKJZ-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000000950100 557124041 /nfs/dbraw/zinc/12/40/41/557124041.db2.gz RPCADCLAVJAOJV-UHFFFAOYSA-N 0 0 424.522 5.178 50 0 HKAARN O=C1C=C(Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000950119 568756974 /nfs/dbraw/zinc/75/69/74/568756974.db2.gz GXVVAOHGYDSSLQ-UHFFFAOYSA-N 0 0 402.064 5.169 50 0 HKAARN O=C1C=C(Nc2cc(Cl)ccc2Cl)C(=O)N1c1cc(Cl)ccc1Cl ZINC000000950120 568756940 /nfs/dbraw/zinc/75/69/40/568756940.db2.gz XIMTVJSQTAAZRZ-UHFFFAOYSA-N 0 0 402.064 5.169 50 0 HKAARN Cc1cc(C)c2c(N)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)sc2n1 ZINC000000950133 557124031 /nfs/dbraw/zinc/12/40/31/557124031.db2.gz ZQOWCEYSJSREQL-UHFFFAOYSA-N 0 0 401.535 5.338 50 0 HKAARN Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cc(C(F)(F)F)n3)nc2n1 ZINC000000950151 568756917 /nfs/dbraw/zinc/75/69/17/568756917.db2.gz NWAVAKJRSREHKD-UHFFFAOYSA-N 0 0 415.444 5.114 50 0 HKAARN Cc1cc(C)n2cc(COc3ccc(-c4ccccc4)cc3Br)nc2n1 ZINC000000950152 568756928 /nfs/dbraw/zinc/75/69/28/568756928.db2.gz WCZRFHLFISUEIQ-UHFFFAOYSA-N 0 0 408.299 5.355 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000950158 557124050 /nfs/dbraw/zinc/12/40/50/557124050.db2.gz UPGRYJYINXZBHG-UHFFFAOYSA-N 0 0 415.298 5.387 50 0 HKAARN CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC(=O)Nc1cccc(Cl)c1 ZINC000000950169 557124046 /nfs/dbraw/zinc/12/40/46/557124046.db2.gz YBHPGKOIRAJDGV-UHFFFAOYSA-N 0 0 424.906 5.096 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1OC ZINC000000950211 557124026 /nfs/dbraw/zinc/12/40/26/557124026.db2.gz CCHGMHFEGAZVOL-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 HKAARN Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000950213 568756890 /nfs/dbraw/zinc/75/68/90/568756890.db2.gz JQQRAUBSNAGPSR-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccc(Cl)cc1 ZINC000000950269 568756978 /nfs/dbraw/zinc/75/69/78/568756978.db2.gz RIFUMPYXYOGOFP-UHFFFAOYSA-N 0 0 405.932 5.061 50 0 HKAARN CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1Nc1cccc(O)c1 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5.675 50 0 HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(C)cc4)ccc3c2=O)cc1 ZINC000000950713 568757144 /nfs/dbraw/zinc/75/71/44/568757144.db2.gz AJOSEIGYWXHIKJ-UHFFFAOYSA-N 0 0 400.430 5.675 50 0 HKAARN Cc1cc(Oc2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc(C)c1Cl ZINC000000950714 568757113 /nfs/dbraw/zinc/75/71/13/568757113.db2.gz UMDWSUHBMXHEDS-UHFFFAOYSA-N 0 0 400.858 5.807 50 0 HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000000950723 568757064 /nfs/dbraw/zinc/75/70/64/568757064.db2.gz BVSDQIPAHKOLFQ-UHFFFAOYSA-N 0 0 404.393 5.506 50 0 HKAARN CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 ZINC000000950724 568757106 /nfs/dbraw/zinc/75/71/06/568757106.db2.gz BVUVEJSEALZXBV-INIZCTEOSA-N 0 0 410.466 5.114 50 0 HKAARN CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 ZINC000000950725 568757123 /nfs/dbraw/zinc/75/71/23/568757123.db2.gz BVUVEJSEALZXBV-MRXNPFEDSA-N 0 0 410.466 5.114 50 0 HKAARN O=C(Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)c1ccc(F)cc1 ZINC000000950726 568757036 /nfs/dbraw/zinc/75/70/36/568757036.db2.gz FJDULEWLCBODBO-UHFFFAOYSA-N 0 0 410.784 5.597 50 0 HKAARN Cc1cc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc(C)c1Cl ZINC000000950727 560180036 /nfs/dbraw/zinc/18/00/36/560180036.db2.gz ROIGAWCTYPESBO-UHFFFAOYSA-N 0 0 410.809 5.668 50 0 biogenic,in-vitro HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccccc4OC)ccc3c2=O)cc1 ZINC000000950728 568757121 /nfs/dbraw/zinc/75/71/21/568757121.db2.gz VNTKILLDDKLGCD-UHFFFAOYSA-N 0 0 416.429 5.376 50 0 HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1 ZINC000000950729 568757045 /nfs/dbraw/zinc/75/70/45/568757045.db2.gz XGBPOXPJRNHZTQ-UHFFFAOYSA-N 0 0 416.429 5.376 50 0 HKAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950730 568757109 /nfs/dbraw/zinc/75/71/09/568757109.db2.gz DKXPHNRHXUJDDS-CQSZACIVSA-N 0 0 416.857 5.186 50 0 HKAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950731 568757131 /nfs/dbraw/zinc/75/71/31/568757131.db2.gz DKXPHNRHXUJDDS-AWEZNQCLSA-N 0 0 416.857 5.186 50 0 HKAARN Cc1cc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)cc(C)c1Cl ZINC000000950732 568757115 /nfs/dbraw/zinc/75/71/15/568757115.db2.gz LRJMBNHQHAFBRU-UHFFFAOYSA-N 0 0 416.857 5.186 50 0 HKAARN CC(C)COC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950733 568757080 /nfs/dbraw/zinc/75/70/80/568757080.db2.gz AIBQYNGRTFEVDQ-CQSZACIVSA-N 0 0 416.857 5.205 50 0 HKAARN CC(C)COC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950734 568757093 /nfs/dbraw/zinc/75/70/93/568757093.db2.gz AIBQYNGRTFEVDQ-AWEZNQCLSA-N 0 0 416.857 5.205 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCC(=O)OC4CCCCC4)ccc3c2=O)cc1 ZINC000000950735 568757078 /nfs/dbraw/zinc/75/70/78/568757078.db2.gz GYHWJXLGMGELOJ-UHFFFAOYSA-N 0 0 422.477 5.402 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950736 568757135 /nfs/dbraw/zinc/75/71/35/568757135.db2.gz VMWSKJRTNRXLHN-UHFFFAOYSA-N 0 0 422.820 5.467 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1 ZINC000000951256 557124276 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Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(Cl)c1 ZINC000000951496 557124288 /nfs/dbraw/zinc/12/42/88/557124288.db2.gz BDPVIXNRHQJOSF-UHFFFAOYSA-N 0 0 404.853 5.010 50 0 HKAARN COc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1Cl ZINC000000951538 557124616 /nfs/dbraw/zinc/12/46/16/557124616.db2.gz FPIVBTUVTVWKHB-UHFFFAOYSA-N 0 0 409.913 5.692 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br ZINC000000951608 523397154 /nfs/dbraw/zinc/39/71/54/523397154.db2.gz LKBDLYJYWRIFNT-WUXMJOGZSA-N 0 0 415.331 5.100 50 0 HKAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)Nc2cccc(C)c2)cc1 ZINC000000951614 557124661 /nfs/dbraw/zinc/12/46/61/557124661.db2.gz HAGVKBVXXGMRGH-PXLXIMEGSA-N 0 0 404.897 5.366 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(C)cc2Br)cc(OCC)c1OCC ZINC000000951836 557124936 /nfs/dbraw/zinc/12/49/36/557124936.db2.gz AZIXTQXLZITUEQ-UHFFFAOYSA-N 0 0 422.319 5.206 50 0 HKAARN CCOc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc(OCC)c1OCC ZINC000000951840 557124905 /nfs/dbraw/zinc/12/49/05/557124905.db2.gz 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568757306 /nfs/dbraw/zinc/75/73/06/568757306.db2.gz JXWFSVBNRRQCEM-UHFFFAOYSA-N 0 0 404.393 5.506 50 0 HKAARN CCc1ccccc1Oc1coc2cc(OC(=O)c3cccc(OC)c3)ccc2c1=O ZINC000000952079 568757255 /nfs/dbraw/zinc/75/72/55/568757255.db2.gz ODRSMFKOHOFEKE-UHFFFAOYSA-N 0 0 416.429 5.376 50 0 HKAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000000952102 568757204 /nfs/dbraw/zinc/75/72/04/568757204.db2.gz GYQHPPDAXGHZJY-UHFFFAOYSA-N 0 0 424.884 5.009 50 0 HKAARN Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)c1 ZINC000000952112 568757292 /nfs/dbraw/zinc/75/72/92/568757292.db2.gz XPPPLWRNHSSFKX-UHFFFAOYSA-N 0 0 422.912 5.535 50 0 HKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000000952123 568757221 /nfs/dbraw/zinc/75/72/21/568757221.db2.gz KRBNKUZSGXYXEH-QHHAFSJGSA-N 0 0 419.091 5.495 50 0 HKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)cc1 ZINC000000952137 557124874 /nfs/dbraw/zinc/12/48/74/557124874.db2.gz SIHIMFIKVWVAJR-UHFFFAOYSA-N 0 0 415.445 5.323 50 0 HKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000000952243 557124882 /nfs/dbraw/zinc/12/48/82/557124882.db2.gz OMMXSGNMFABFGC-UHFFFAOYSA-N 0 0 418.280 5.420 50 0 HKAARN O=C(Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O)c1cccs1 ZINC000000952294 568757201 /nfs/dbraw/zinc/75/72/01/568757201.db2.gz JKVJNNNASJYYNQ-UHFFFAOYSA-N 0 0 416.376 5.760 50 0 HKAARN Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1C ZINC000000952341 568757244 /nfs/dbraw/zinc/75/72/44/568757244.db2.gz PMQPMIOXEXWHND-KRWDZBQOSA-N 0 0 418.518 5.046 50 0 HKAARN Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1C ZINC000000952342 568757247 /nfs/dbraw/zinc/75/72/47/568757247.db2.gz PMQPMIOXEXWHND-QGZVFWFLSA-N 0 0 418.518 5.046 50 0 HKAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1C ZINC000000952347 557124947 /nfs/dbraw/zinc/12/49/47/557124947.db2.gz DYFRQPJTPNRHHF-UHFFFAOYSA-N 0 0 423.925 5.034 50 0 HKAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1CCc1ccccc1 ZINC000000952358 557124940 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CC1(C)Cc2c(cnn2-c2ccc(Br)cc2)-c2nc3ccccc3nc21 ZINC000000974380 568759385 /nfs/dbraw/zinc/75/93/85/568759385.db2.gz GMUKZTHRWKJJET-UHFFFAOYSA-N 0 0 405.299 5.079 50 0 HKAARN COc1cc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc(OC)c1OC ZINC000000974463 568759315 /nfs/dbraw/zinc/75/93/15/568759315.db2.gz BOGAAARFKPLVQT-UHFFFAOYSA-N 0 0 421.884 5.720 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Br)c1 ZINC000000974530 557128707 /nfs/dbraw/zinc/12/87/07/557128707.db2.gz HAUGIUMQGCWWDN-UHFFFAOYSA-N 0 0 411.230 5.649 50 0 HKAARN CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000974558 568759372 /nfs/dbraw/zinc/75/93/72/568759372.db2.gz AATVQPKYYWKQBR-UHFFFAOYSA-N 0 0 413.473 5.185 50 0 HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C ZINC000000974766 519640960 /nfs/dbraw/zinc/64/09/60/519640960.db2.gz OGNCBBCPTNZPKR-BXKMTCNYSA-N 0 0 402.469 5.359 50 0 HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C ZINC000000974767 519640833 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COc1ccc(-c2cc(C(=O)Nc3cccc4cccnc43)c3ccccc3n2)cc1 ZINC000000992949 557135688 /nfs/dbraw/zinc/13/56/88/557135688.db2.gz IIDAZJBYUIWIRO-UHFFFAOYSA-N 0 0 405.457 5.711 50 0 HKAARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000000992983 557136023 /nfs/dbraw/zinc/13/60/23/557136023.db2.gz MTCVZVWMOPGSGN-HNNXBMFYSA-N 0 0 409.869 5.251 50 0 HKAARN COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000000992984 557136002 /nfs/dbraw/zinc/13/60/02/557136002.db2.gz MTCVZVWMOPGSGN-OAHLLOKOSA-N 0 0 409.869 5.251 50 0 HKAARN COc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000000992991 557135981 /nfs/dbraw/zinc/13/59/81/557135981.db2.gz UHKCDARKXGLZIX-HNNXBMFYSA-N 0 0 409.869 5.251 50 0 HKAARN COc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000000992992 557135980 /nfs/dbraw/zinc/13/59/80/557135980.db2.gz UHKCDARKXGLZIX-OAHLLOKOSA-N 0 0 409.869 5.251 50 0 HKAARN COc1cccc(C(=O)Nc2cccc(O[C@@H](C)C(=O)c3cccc(Cl)c3)c2)c1 ZINC000000993006 557135978 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COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cc(C)cc23)cc1 ZINC000000993129 557136217 /nfs/dbraw/zinc/13/62/17/557136217.db2.gz BLOBKNSVOFFXFM-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3cc(C)cc(C)c3n2)cc1 ZINC000000993130 557136268 /nfs/dbraw/zinc/13/62/68/557136268.db2.gz QCBMOFNXNNEKSJ-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN Cc1cc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1 ZINC000000993164 557136282 /nfs/dbraw/zinc/13/62/82/557136282.db2.gz PDPFRGFUUWDGHH-UHFFFAOYSA-N 0 0 411.457 5.162 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000993175 557136240 /nfs/dbraw/zinc/13/62/40/557136240.db2.gz MBFUNZJTRUPJIM-UHFFFAOYSA-N 0 0 403.478 5.216 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3cc2OCC(=O)c2ccc(F)cc2)cc1 ZINC000000993180 557136236 /nfs/dbraw/zinc/13/62/36/557136236.db2.gz GOLVCVSOCXMZKE-UHFFFAOYSA-N 0 0 413.448 5.801 50 0 HKAARN COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c1 ZINC000000993184 557136229 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Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 ZINC000000993400 557136810 /nfs/dbraw/zinc/13/68/10/557136810.db2.gz ICZHVFNQZHGQJV-FQEVSTJZSA-N 0 0 413.517 5.279 50 0 HKAARN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 ZINC000000993401 557136813 /nfs/dbraw/zinc/13/68/13/557136813.db2.gz ICZHVFNQZHGQJV-HXUWFJFHSA-N 0 0 413.517 5.279 50 0 HKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000000993514 557136744 /nfs/dbraw/zinc/13/67/44/557136744.db2.gz SOZYVLDBYSHVBP-UHFFFAOYSA-N 0 0 405.928 5.534 50 0 HKAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000993538 568760908 /nfs/dbraw/zinc/76/09/08/568760908.db2.gz YOOMTJSATVBAFY-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN O=C1c2cccc3cc(Br)cc(c32)C(=O)N1c1ccc2ccccc2c1 ZINC000000993817 527127625 /nfs/dbraw/zinc/12/76/25/527127625.db2.gz NGDHGKYTHUUJTP-UHFFFAOYSA-N 0 0 402.247 5.556 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1Br ZINC000000993836 557136793 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557140850 /nfs/dbraw/zinc/14/08/50/557140850.db2.gz NHJSBSYDIAHWHL-QMMMGPOBSA-N 0 0 401.702 5.663 50 0 HKAARN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nc2ccccc2s1 ZINC000001006365 557141200 /nfs/dbraw/zinc/14/12/00/557141200.db2.gz NHJSBSYDIAHWHL-MRVPVSSYSA-N 0 0 401.702 5.663 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001006366 568761889 /nfs/dbraw/zinc/76/18/89/568761889.db2.gz SQBNKIPAYGMQLC-VIFPVBQESA-N 0 0 401.677 5.011 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001006367 568761924 /nfs/dbraw/zinc/76/19/24/568761924.db2.gz SQBNKIPAYGMQLC-SECBINFHSA-N 0 0 401.677 5.011 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000001006386 557141168 /nfs/dbraw/zinc/14/11/68/557141168.db2.gz MSOLPUOOPMUJTC-UHFFFAOYSA-N 0 0 403.240 5.637 50 0 HKAARN O=C(Nc1cccc2ccccc21)c1cc(Br)ccc1Br ZINC000001006388 560727217 /nfs/dbraw/zinc/72/72/17/560727217.db2.gz HDVLRCMLIMVOEF-UHFFFAOYSA-N 0 0 405.089 5.617 50 0 HKAARN 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ZINC000001006648 557141213 /nfs/dbraw/zinc/14/12/13/557141213.db2.gz YNVTWIOJBFVZBC-UHFFFAOYSA-N 0 0 422.912 5.860 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 ZINC000001006651 557141193 /nfs/dbraw/zinc/14/11/93/557141193.db2.gz FATJVMGTNZHQDO-UHFFFAOYSA-N 0 0 400.906 5.054 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(OC)cc3)ccc2Cl)cc1 ZINC000001006652 557141180 /nfs/dbraw/zinc/14/11/80/557141180.db2.gz ZYFFDFIMLCHFCI-UHFFFAOYSA-N 0 0 424.884 5.252 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 ZINC000001006653 557141196 /nfs/dbraw/zinc/14/11/96/557141196.db2.gz ZSBZFKYQNVQGIR-UHFFFAOYSA-N 0 0 408.885 5.552 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000001006668 568761850 /nfs/dbraw/zinc/76/18/50/568761850.db2.gz GGCBCGGRMGGPHK-OVCLIPMQSA-N 0 0 420.896 5.643 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 ZINC000001006670 557141117 /nfs/dbraw/zinc/14/11/17/557141117.db2.gz ZMURDYMJNDROMU-UHFFFAOYSA-N 0 0 424.884 5.252 50 0 HKAARN COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)c1 ZINC000001006672 557141133 /nfs/dbraw/zinc/14/11/33/557141133.db2.gz QQIMIUUDKFSGEC-UHFFFAOYSA-N 0 0 408.885 5.470 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000001006686 557141175 /nfs/dbraw/zinc/14/11/75/557141175.db2.gz TXZZBOZLJALYDM-UHFFFAOYSA-N 0 0 424.884 5.252 50 0 HKAARN Oc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000001006711 557141420 /nfs/dbraw/zinc/14/14/20/557141420.db2.gz CCOHHMBSUKQKFY-OAQYLSRUSA-N 0 0 414.490 5.040 50 0 HKAARN Cc1cccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)n1 ZINC000001006723 557141425 /nfs/dbraw/zinc/14/14/25/557141425.db2.gz POCIHZAEIJOCTL-NRFANRHFSA-N 0 0 413.506 5.037 50 0 HKAARN Cc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)n1 ZINC000001006724 557141333 /nfs/dbraw/zinc/14/13/33/557141333.db2.gz POCIHZAEIJOCTL-OAQYLSRUSA-N 0 0 413.506 5.037 50 0 HKAARN COc1ccc(-c2csc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23)cc1 ZINC000001006930 568761952 /nfs/dbraw/zinc/76/19/52/568761952.db2.gz REWLEGIGQUDLGI-UHFFFAOYSA-N 0 0 402.431 5.266 50 0 HKAARN O=C(COc1ccccc1[C@H]1CC(=O)Nc2ccc3ccccc3c21)Nc1ccccc1 ZINC000001007332 568761874 /nfs/dbraw/zinc/76/18/74/568761874.db2.gz KANZTWVDYNMMEF-JOCHJYFZSA-N 0 0 422.484 5.331 50 0 HKAARN O=C(COc1ccccc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21)Nc1ccccc1 ZINC000001007333 568761883 /nfs/dbraw/zinc/76/18/83/568761883.db2.gz KANZTWVDYNMMEF-QFIPXVFZSA-N 0 0 422.484 5.331 50 0 HKAARN CCOc1ccc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)cc1 ZINC000001007387 557141429 /nfs/dbraw/zinc/14/14/29/557141429.db2.gz XWZSELKHJBUTCA-AUWJEWJLSA-N 0 0 423.104 5.103 50 0 HKAARN Cc1c(C(C(=O)c2ccccc2)c2c(C)n(C)c3ccccc32)c2ccccc2n1C ZINC000001007433 557141339 /nfs/dbraw/zinc/14/13/39/557141339.db2.gz DWUAHQZOHARTFZ-UHFFFAOYSA-N 0 0 406.529 6.302 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1 ZINC000001008356 568761830 /nfs/dbraw/zinc/76/18/30/568761830.db2.gz WHFDJRUGGJMTAS-UHFFFAOYSA-N 0 0 405.475 5.442 50 0 HKAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000001008382 568761926 /nfs/dbraw/zinc/76/19/26/568761926.db2.gz VRMCMTQWWGYNMA-YSUUHWHMSA-N 0 0 415.518 5.396 50 0 HKAARN CC[C@H](C)N1C(=O)S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000001008384 568761824 /nfs/dbraw/zinc/76/18/24/568761824.db2.gz VRMCMTQWWGYNMA-BDQMVGTNSA-N 0 0 415.518 5.396 50 0 HKAARN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O ZINC000001008700 568762055 /nfs/dbraw/zinc/76/20/55/568762055.db2.gz SKDYNRWICDJIBL-UYRXBGFRSA-N 0 0 422.550 5.276 50 0 HKAARN O=C(Nc1ccc(Cn2cccn2)cc1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000001009248 568762576 /nfs/dbraw/zinc/76/25/76/568762576.db2.gz VYMNZWAHCFTZAS-UHFFFAOYSA-N 0 0 417.896 5.416 50 0 HKAARN COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)c1csc(C)c1 ZINC000001009301 568762571 /nfs/dbraw/zinc/76/25/71/568762571.db2.gz DQPKXTGQWPXOCB-UHFFFAOYSA-N 0 0 400.525 5.248 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000001009459 557141407 /nfs/dbraw/zinc/14/14/07/557141407.db2.gz AMESAOLNGVMVRU-UHFFFAOYSA-N 0 0 413.477 5.386 50 0 HKAARN Cc1ccc(OC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1 ZINC000001009723 568762536 /nfs/dbraw/zinc/76/25/36/568762536.db2.gz LLENXTZCJIMNTO-UHFFFAOYSA-N 0 0 408.159 5.078 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cnc2ccccc2c1)CCCCCC3 ZINC000001010370 568762969 /nfs/dbraw/zinc/76/29/69/568762969.db2.gz REQBKSDJYAKBKF-UHFFFAOYSA-N 0 0 402.523 5.338 50 0 HKAARN O=C(Nc1ccc2c(c1)Cc1cc(NC(=O)c3cccs3)ccc1-2)c1cccs1 ZINC000001010648 557141613 /nfs/dbraw/zinc/14/16/13/557141613.db2.gz KTSACKBDQOMKPG-UHFFFAOYSA-N 0 0 416.527 5.885 50 0 HKAARN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000001010656 557141694 /nfs/dbraw/zinc/14/16/94/557141694.db2.gz SBKBDJFWOJWSEC-UHFFFAOYSA-N 0 0 404.491 5.162 50 0 HKAARN O=C(CSCc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000001010663 557141712 /nfs/dbraw/zinc/14/17/12/557141712.db2.gz YDXDAHTUVIYUAT-UHFFFAOYSA-N 0 0 407.926 5.755 50 0 HKAARN Cc1ccc(-c2nnc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)o2)cc1 ZINC000001010671 557141688 /nfs/dbraw/zinc/14/16/88/557141688.db2.gz FXUMBDLMWWDBFF-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000001010672 557141603 /nfs/dbraw/zinc/14/16/03/557141603.db2.gz MVEQXDCWRRNVQC-UHFFFAOYSA-N 0 0 401.491 5.443 50 0 HKAARN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2c1 ZINC000001010959 557141677 /nfs/dbraw/zinc/14/16/77/557141677.db2.gz GYHVBIMSUBGHQY-MTJSOVHGSA-N 0 0 423.465 5.233 50 0 HKAARN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001011117 557141969 /nfs/dbraw/zinc/14/19/69/557141969.db2.gz OTANFZLDSQOYBN-CHHVJCJISA-N 0 0 412.269 5.378 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011148 557141958 /nfs/dbraw/zinc/14/19/58/557141958.db2.gz STYNARCKKSAPBY-ODLFYWEKSA-N 0 0 413.857 5.976 50 0 HKAARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000001011154 558836120 /nfs/dbraw/zinc/83/61/20/558836120.db2.gz SNTRBOTWYHSKEO-LPYMAVHISA-N 0 0 420.509 5.778 50 0 HKAARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C ZINC000001011158 558836091 /nfs/dbraw/zinc/83/60/91/558836091.db2.gz FJTCFEAMBYDOLB-LPYMAVHISA-N 0 0 420.509 5.778 50 0 HKAARN COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000001011741 557141972 /nfs/dbraw/zinc/14/19/72/557141972.db2.gz UNQHHZCALKQWHQ-NVNXTCNLSA-N 0 0 424.703 5.352 50 0 HKAARN CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 ZINC000001011765 568763167 /nfs/dbraw/zinc/76/31/67/568763167.db2.gz CAGRCJPGXVCSCF-VCHYOVAHSA-N 0 0 403.887 5.378 50 0 HKAARN CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000001011767 557141976 /nfs/dbraw/zinc/14/19/76/557141976.db2.gz HJBLEQGXLZPRAT-NVNXTCNLSA-N 0 0 410.278 5.339 50 0 HKAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000001011788 557141943 /nfs/dbraw/zinc/14/19/43/557141943.db2.gz OANUGBSRXIHZQZ-NVNXTCNLSA-N 0 0 424.703 5.352 50 0 HKAARN COc1cc(Cl)c(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001011840 557141994 /nfs/dbraw/zinc/14/19/94/557141994.db2.gz PRKFLXLRPKQEHP-PXNMLYILSA-N 0 0 410.278 5.252 50 0 HKAARN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000001011842 568763170 /nfs/dbraw/zinc/76/31/70/568763170.db2.gz RQZYFMLINJLWGX-OQLLNIDSSA-N 0 0 410.278 5.339 50 0 HKAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001011863 557141955 /nfs/dbraw/zinc/14/19/55/557141955.db2.gz DYKQESMDNSRSJR-DHDCSXOGSA-N 0 0 424.703 5.352 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000001012195 557141983 /nfs/dbraw/zinc/14/19/83/557141983.db2.gz LREJIJGLVXLUAB-ONNFQVAWSA-N 0 0 400.887 5.133 50 0 HKAARN COc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F ZINC000001012626 557142188 /nfs/dbraw/zinc/14/21/88/557142188.db2.gz RQAOXNZRURDAQG-JAIQZWGSSA-N 0 0 415.486 5.106 50 0 HKAARN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC ZINC000001012644 568763104 /nfs/dbraw/zinc/76/31/04/568763104.db2.gz NIVLAXCTFBYGMA-XDHOZWIPSA-N 0 0 417.914 5.374 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000001012737 557142248 /nfs/dbraw/zinc/14/22/48/557142248.db2.gz NXSUPNPIZILUKC-UHFFFAOYSA-N 0 0 408.523 5.450 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000001013056 568763084 /nfs/dbraw/zinc/76/30/84/568763084.db2.gz ZOGZOYHEAHSWLG-BKUYFWCQSA-N 0 0 403.459 5.386 50 0 HKAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000001013086 568763093 /nfs/dbraw/zinc/76/30/93/568763093.db2.gz VZVPMKMUBITWGC-NDENLUEZSA-N 0 0 408.523 5.102 50 0 HKAARN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000001013152 557142274 /nfs/dbraw/zinc/14/22/74/557142274.db2.gz IUODDZMXTIKRAW-GIJQJNRQSA-N 0 0 400.862 5.505 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)c2ccccc12 ZINC000001013275 557142514 /nfs/dbraw/zinc/14/25/14/557142514.db2.gz OMWXVGWNZXDLGC-UHFFFAOYSA-N 0 0 421.493 5.383 50 0 HKAARN COc1ccc(NCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc1Cl ZINC000001013695 557142524 /nfs/dbraw/zinc/14/25/24/557142524.db2.gz ROXDDTZXUIHVHB-PXNMLYILSA-N 0 0 409.294 5.108 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001013727 557142506 /nfs/dbraw/zinc/14/25/06/557142506.db2.gz QEPYABVVQZEQQV-UHFFFAOYSA-N 0 0 413.713 5.788 50 0 HKAARN O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001013826 557142542 /nfs/dbraw/zinc/14/25/42/557142542.db2.gz RFAQRCRNHXCLAI-SFHVURJKSA-N 0 0 405.306 5.106 50 0 HKAARN O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001013827 557142577 /nfs/dbraw/zinc/14/25/77/557142577.db2.gz RFAQRCRNHXCLAI-GOSISDBHSA-N 0 0 405.306 5.106 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1Cl ZINC000001015522 568763152 /nfs/dbraw/zinc/76/31/52/568763152.db2.gz LKZYOINRSIRYJV-UHFFFAOYSA-N 0 0 419.102 5.090 50 0 HKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000001015905 557142853 /nfs/dbraw/zinc/14/28/53/557142853.db2.gz CVEWHOBPQRANRF-OYGQUUSZSA-N 0 0 413.546 5.888 50 0 aggregator HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n1 ZINC000001015960 568763120 /nfs/dbraw/zinc/76/31/20/568763120.db2.gz MLDCEPZAPPDOII-BUDVTEDQSA-N 0 0 424.888 5.179 50 0 HKAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccc(Cl)cc3Cl)N12 ZINC000001016704 557143105 /nfs/dbraw/zinc/14/31/05/557143105.db2.gz IGQXSMIJQWRRTP-IBGZPJMESA-N 0 0 401.318 5.337 50 0 HKAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(Cl)cc3Cl)N12 ZINC000001016705 557143063 /nfs/dbraw/zinc/14/30/63/557143063.db2.gz IGQXSMIJQWRRTP-LJQANCHMSA-N 0 0 401.318 5.337 50 0 HKAARN COc1cccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)n[nH]c3=S)c1 ZINC000001016723 557143081 /nfs/dbraw/zinc/14/30/81/557143081.db2.gz IPJKTSUWJMSPBW-UHFFFAOYSA-N 0 0 410.502 5.821 50 0 HKAARN CCOC(=O)c1nn(-c2ccccc2F)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016751 557143069 /nfs/dbraw/zinc/14/30/69/557143069.db2.gz XJQUMEITXMUBAH-UHFFFAOYSA-N 0 0 414.436 5.086 50 0 HKAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016752 557143066 /nfs/dbraw/zinc/14/30/66/557143066.db2.gz YFUQTMIMPUVSQB-UHFFFAOYSA-N 0 0 410.473 5.255 50 0 HKAARN CCOC(=O)c1nn(-c2ccccc2C)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016753 557143014 /nfs/dbraw/zinc/14/30/14/557143014.db2.gz FHDMSRQRGAUBFK-UHFFFAOYSA-N 0 0 410.473 5.255 50 0 HKAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016754 557143099 /nfs/dbraw/zinc/14/30/99/557143099.db2.gz SXKWCDLLXOGOMP-UHFFFAOYSA-N 0 0 414.436 5.086 50 0 HKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)sc2n1 ZINC000001016802 557143035 /nfs/dbraw/zinc/14/30/35/557143035.db2.gz WYBPHKCJQZDRNV-CQSZACIVSA-N 0 0 422.535 5.141 50 0 HKAARN Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)sc2n1 ZINC000001016803 557143039 /nfs/dbraw/zinc/14/30/39/557143039.db2.gz WYBPHKCJQZDRNV-AWEZNQCLSA-N 0 0 422.535 5.141 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000001016810 557143007 /nfs/dbraw/zinc/14/30/07/557143007.db2.gz OFAWMOKARVHIBU-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)cc1 ZINC000001016811 557143046 /nfs/dbraw/zinc/14/30/46/557143046.db2.gz OFAWMOKARVHIBU-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 ZINC000001016865 557143002 /nfs/dbraw/zinc/14/30/02/557143002.db2.gz XFWOUVVIVSBVMB-OAHLLOKOSA-N 0 0 405.401 5.440 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 ZINC000001016866 557143032 /nfs/dbraw/zinc/14/30/32/557143032.db2.gz XFWOUVVIVSBVMB-HNNXBMFYSA-N 0 0 405.401 5.440 50 0 HKAARN COc1ccc(NC(=S)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000001016869 557143028 /nfs/dbraw/zinc/14/30/28/557143028.db2.gz HWZNWLOLHUVZQU-JOCHJYFZSA-N 0 0 423.488 5.522 50 0 HKAARN COc1ccc(NC(=S)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000001016870 557143024 /nfs/dbraw/zinc/14/30/24/557143024.db2.gz HWZNWLOLHUVZQU-QFIPXVFZSA-N 0 0 423.488 5.522 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)c1cc(Br)ccc1Br ZINC000001017005 568762374 /nfs/dbraw/zinc/76/23/74/568762374.db2.gz QBFMVXXJSYDEKB-UHFFFAOYSA-N 0 0 405.089 5.617 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OCC)cc3)cc2C)cc1 ZINC000001017085 557143407 /nfs/dbraw/zinc/14/34/07/557143407.db2.gz NIGNIEQZHBHEFE-UHFFFAOYSA-N 0 0 419.477 5.264 50 0 HKAARN CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)c(C)c2)cc1 ZINC000001017088 557143334 /nfs/dbraw/zinc/14/33/34/557143334.db2.gz PAQXHKSILFPHKN-UHFFFAOYSA-N 0 0 420.461 5.231 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OCC)cc3)c2)cc1 ZINC000001017091 557143343 /nfs/dbraw/zinc/14/33/43/557143343.db2.gz SIPWUDGAAOITIC-UHFFFAOYSA-N 0 0 418.493 5.297 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2OCC)c1 ZINC000001017122 557143392 /nfs/dbraw/zinc/14/33/92/557143392.db2.gz SMOWDVXBWLBIRT-UHFFFAOYSA-N 0 0 418.493 5.297 50 0 HKAARN COc1ccc(CC(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 ZINC000001017202 557143319 /nfs/dbraw/zinc/14/33/19/557143319.db2.gz MYEKVTRHFKGEQQ-UHFFFAOYSA-N 0 0 422.912 5.399 50 0 HKAARN O=C1NC2(CCCC2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000001017334 557143287 /nfs/dbraw/zinc/14/32/87/557143287.db2.gz DSYIJYMMQNBKKT-UHFFFAOYSA-N 0 0 409.458 5.469 50 0 HKAARN COC(=O)c1c(Cl)c2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC ZINC000001017363 557143299 /nfs/dbraw/zinc/14/32/99/557143299.db2.gz MNBGRERVWNCCTM-UHFFFAOYSA-N 0 0 407.853 5.246 50 0 HKAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc(Cl)cc1Cl ZINC000001017624 568762551 /nfs/dbraw/zinc/76/25/51/568762551.db2.gz RYTUZIKRPGBJSM-IBGZPJMESA-N 0 0 424.374 5.583 50 0 HKAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl ZINC000001017626 568762631 /nfs/dbraw/zinc/76/26/31/568762631.db2.gz RYTUZIKRPGBJSM-LJQANCHMSA-N 0 0 424.374 5.583 50 0 HKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000001018066 568762639 /nfs/dbraw/zinc/76/26/39/568762639.db2.gz UKCJPDSSFGHAPX-XMMPIXPASA-N 0 0 409.526 5.509 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000001018068 568762606 /nfs/dbraw/zinc/76/26/06/568762606.db2.gz UKCJPDSSFGHAPX-DEOSSOPVSA-N 0 0 409.526 5.509 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(C)o4)cc3)cc2)o1 ZINC000001018984 557143629 /nfs/dbraw/zinc/14/36/29/557143629.db2.gz COOWZJXFSTZWQW-UHFFFAOYSA-N 0 0 414.461 5.585 50 0 HKAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000001019984 557143929 /nfs/dbraw/zinc/14/39/29/557143929.db2.gz TUCPKJPAZZKQLE-IBGZPJMESA-N 0 0 416.502 5.297 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C ZINC000001020379 557143932 /nfs/dbraw/zinc/14/39/32/557143932.db2.gz VZEUSNXHMWPBRL-RPWUZVMVSA-N 0 0 421.928 5.260 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C ZINC000001020380 557143916 /nfs/dbraw/zinc/14/39/16/557143916.db2.gz VZEUSNXHMWPBRL-BJKOFHAPSA-N 0 0 421.928 5.260 50 0 HKAARN O=C1c2cccc3c(N4CCCCC4)ccc(c32)C(=O)N1c1cccc2cnccc21 ZINC000001020718 560562056 /nfs/dbraw/zinc/56/20/56/560562056.db2.gz ZODPLHALZLFWJN-UHFFFAOYSA-N 0 0 407.473 5.179 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)C(c1ccccc1)c1ccccc1 ZINC000001020879 557143912 /nfs/dbraw/zinc/14/39/12/557143912.db2.gz ZDVVDDZAIFNAPW-UHFFFAOYSA-N 0 0 403.375 5.694 50 0 HKAARN Fc1cccc(-c2nnc(SCc3ccc4c(c3)OCO4)n2-c2ccccc2)c1 ZINC000001021003 557143946 /nfs/dbraw/zinc/14/39/46/557143946.db2.gz MVZBOPUDQUWPGH-UHFFFAOYSA-N 0 0 405.454 5.094 50 0 HKAARN Cc1ccc(N2C(=O)c3cccc4c(Br)ccc(c43)C2=O)c(Cl)c1 ZINC000001021010 132235072 /nfs/dbraw/zinc/23/50/72/132235072.db2.gz VIMVOPPPSYWBCJ-UHFFFAOYSA-N 0 0 400.659 5.365 50 0 HKAARN COc1ccccc1C1=N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000001021428 557144156 /nfs/dbraw/zinc/14/41/56/557144156.db2.gz PFBUVBXINMIWOF-SFQUDFHCSA-N 0 0 424.250 5.062 50 0 HKAARN Cc1cc(C)nc(Sc2nc(Cl)nc(N(c3ccccc3)c3ccccc3)n2)n1 ZINC000001022281 568763592 /nfs/dbraw/zinc/76/35/92/568763592.db2.gz PKMXDZDFZMYHGS-UHFFFAOYSA-N 0 0 420.929 5.553 50 0 HKAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000001022577 568763693 /nfs/dbraw/zinc/76/36/93/568763693.db2.gz VCOFMLMWKFMAJK-CAOOACKPSA-N 0 0 424.305 5.295 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)cc1 ZINC000001022709 132235069 /nfs/dbraw/zinc/23/50/69/132235069.db2.gz XZHOZESPTUTTBB-UHFFFAOYSA-N 0 0 406.441 5.201 50 0 HKAARN Cc1nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c2c2c1CCCC2 ZINC000001022826 568763704 /nfs/dbraw/zinc/76/37/04/568763704.db2.gz BYNMLKQKZWNZAZ-UHFFFAOYSA-N 0 0 405.445 5.337 50 0 HKAARN CCc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000001023176 557144189 /nfs/dbraw/zinc/14/41/89/557144189.db2.gz WCZPFOLQBDSITO-UHFFFAOYSA-N 0 0 403.301 5.037 50 0 HKAARN COc1ccc(-c2nc(-c3cc(OC)ccc3OC)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000001023209 557144132 /nfs/dbraw/zinc/14/41/32/557144132.db2.gz VDMZLGADFUETEM-UHFFFAOYSA-N 0 0 416.477 5.445 50 0 HKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000001023279 557144164 /nfs/dbraw/zinc/14/41/64/557144164.db2.gz HYCJQPNLBORLQT-UHFFFAOYSA-N 0 0 410.852 5.662 50 0 HKAARN Cc1nccc(C(F)(F)F)c1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000001023315 557144187 /nfs/dbraw/zinc/14/41/87/557144187.db2.gz BPLXRNSIRRGANP-UHFFFAOYSA-N 0 0 413.808 5.087 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)Nc1ccc(F)cc1F ZINC000001023317 557144181 /nfs/dbraw/zinc/14/41/81/557144181.db2.gz CZLOUJANGPWRLG-UHFFFAOYSA-N 0 0 424.325 6.300 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1-c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000001023490 557144481 /nfs/dbraw/zinc/14/44/81/557144481.db2.gz LPTXZEZIWSFHLT-UHFFFAOYSA-N 0 0 403.788 5.544 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000001023662 557144440 /nfs/dbraw/zinc/14/44/40/557144440.db2.gz YOHSSSUIKRDHCY-UHFFFAOYSA-N 0 0 413.808 5.087 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC1CSC(C)SC1 ZINC000001024038 557144385 /nfs/dbraw/zinc/14/43/85/557144385.db2.gz VNYVMIMPWGZDPU-UHFFFAOYSA-N 0 0 418.371 5.273 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1F ZINC000001024111 557144375 /nfs/dbraw/zinc/14/43/75/557144375.db2.gz MNVSCUGXFLYRSC-UHFFFAOYSA-N 0 0 403.240 5.637 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)n1nccc1-c1ccc(-c2ccc(F)cc2F)o1 ZINC000001024213 557144409 /nfs/dbraw/zinc/14/44/09/557144409.db2.gz TZVZCGFXLUXWGY-UHFFFAOYSA-N 0 0 419.214 6.084 50 0 HKAARN Cc1cc(Cl)ccc1Oc1cc(C(F)(F)F)ccc1NC(=O)c1cccnc1 ZINC000001024223 568763762 /nfs/dbraw/zinc/76/37/62/568763762.db2.gz LWMSIHDMWPDOLP-UHFFFAOYSA-N 0 0 406.791 6.107 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000001024236 557144747 /nfs/dbraw/zinc/14/47/47/557144747.db2.gz HUNXVZJDORZDCS-VIFPVBQESA-N 0 0 408.112 5.271 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000001024238 557144712 /nfs/dbraw/zinc/14/47/12/557144712.db2.gz HUNXVZJDORZDCS-SECBINFHSA-N 0 0 408.112 5.271 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NC1CCCCC1 ZINC000001024316 557144707 /nfs/dbraw/zinc/14/47/07/557144707.db2.gz LTCWEIMCPWMFRW-UHFFFAOYSA-N 0 0 403.551 5.352 50 0 HKAARN COc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001024365 557144817 /nfs/dbraw/zinc/14/48/17/557144817.db2.gz COSFXHNEANPJLT-UHFFFAOYSA-N 0 0 417.292 6.116 50 0 HKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001024443 557144733 /nfs/dbraw/zinc/14/47/33/557144733.db2.gz UVGQUHPQSCEBPR-UHFFFAOYSA-N 0 0 419.350 5.331 50 0 HKAARN O=S(=O)(CCSc1ccc(Cl)cc1)CCSc1ccc(Cl)cc1 ZINC000001024449 557144725 /nfs/dbraw/zinc/14/47/25/557144725.db2.gz RCHXLLXUMHACCW-UHFFFAOYSA-N 0 0 407.409 5.293 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N1CCc2sccc2[C@H]1C ZINC000001024461 557144815 /nfs/dbraw/zinc/14/48/15/557144815.db2.gz AVVHMDNJONXGCE-SNVBAGLBSA-N 0 0 422.337 6.170 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000001024462 557144787 /nfs/dbraw/zinc/14/47/87/557144787.db2.gz AVVHMDNJONXGCE-JTQLQIEISA-N 0 0 422.337 6.170 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3ccccc3O[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000001024668 557144783 /nfs/dbraw/zinc/14/47/83/557144783.db2.gz RDMICGVTJBHDTE-FQEVSTJZSA-N 0 0 420.317 5.588 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3ccccc3O[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000001024670 557144738 /nfs/dbraw/zinc/14/47/38/557144738.db2.gz RDMICGVTJBHDTE-HXUWFJFHSA-N 0 0 420.317 5.588 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 ZINC000001024730 557144775 /nfs/dbraw/zinc/14/47/75/557144775.db2.gz XDQUZBXAUUMIMC-UHFFFAOYSA-N 0 0 422.868 5.021 50 0 HKAARN c1ccc(Nc2nc(Nc3ccccc3)nc(Sc3nc4ccccc4o3)n2)cc1 ZINC000001024924 568763634 /nfs/dbraw/zinc/76/36/34/568763634.db2.gz ANYLDGXKDYOXJY-UHFFFAOYSA-N 0 0 412.478 5.651 50 0 HKAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024943 557144806 /nfs/dbraw/zinc/14/48/06/557144806.db2.gz FBLBNTOHNIGSQB-QHCPKHFHSA-N 0 0 415.880 5.489 50 0 HKAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024944 557144791 /nfs/dbraw/zinc/14/47/91/557144791.db2.gz FBLBNTOHNIGSQB-HSZRJFAPSA-N 0 0 415.880 5.489 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCCC3)c1 ZINC000001024968 557144993 /nfs/dbraw/zinc/14/49/93/557144993.db2.gz GUERPDPEJCEVPG-UHFFFAOYSA-N 0 0 408.523 5.101 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000001024979 557145109 /nfs/dbraw/zinc/14/51/09/557145109.db2.gz ZCVLGLDQKCRWTO-UHFFFAOYSA-N 0 0 404.941 6.416 50 0 HKAARN O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001025137 132235276 /nfs/dbraw/zinc/23/52/76/132235276.db2.gz GTNIHPIZTLQLNY-UHFFFAOYSA-N 0 0 418.924 5.352 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001025160 557145071 /nfs/dbraw/zinc/14/50/71/557145071.db2.gz VYDKGYMALFYYBH-UHFFFAOYSA-N 0 0 416.091 6.516 50 0 HKAARN Cc1c(C)c(C)c(CSCC2N=NC(=S)N2c2ccc(F)cc2)c(C)c1C ZINC000001025182 557145012 /nfs/dbraw/zinc/14/50/12/557145012.db2.gz ODINNDWYBVFHHF-UHFFFAOYSA-N 0 0 401.576 5.671 50 0 HKAARN Brc1ccc(-c2cn3c4ccccc4nc3c(-c3ccccc3)n2)cc1 ZINC000001025372 568763759 /nfs/dbraw/zinc/76/37/59/568763759.db2.gz SIBUWGIHXBLQPG-UHFFFAOYSA-N 0 0 400.279 5.979 50 0 HKAARN COc1ccc(NC(=O)NCc2c(C)onc2-c2ccccc2)cc1OC1CCCC1 ZINC000001025389 557144907 /nfs/dbraw/zinc/14/49/07/557144907.db2.gz LGMNJHUCNCGVBQ-UHFFFAOYSA-N 0 0 421.497 5.302 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2c1OCCCO2 ZINC000001025568 557145060 /nfs/dbraw/zinc/14/50/60/557145060.db2.gz HNOOESVXWOOHCI-UHFFFAOYSA-N 0 0 402.475 5.377 50 0 HKAARN CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)Nc1ccc(F)cc1 ZINC000001025827 568763920 /nfs/dbraw/zinc/76/39/20/568763920.db2.gz USKOPWBFDBUXHH-UHFFFAOYSA-N 0 0 404.510 5.732 50 0 aggregator HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3cccc(Br)c3)nn21 ZINC000001025899 568763922 /nfs/dbraw/zinc/76/39/22/568763922.db2.gz BEYMCKQGBAJMKV-UHFFFAOYSA-N 0 0 418.216 5.845 50 0 HKAARN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001026249 557145102 /nfs/dbraw/zinc/14/51/02/557145102.db2.gz KMEJIGBCUZAIIH-UHFFFAOYSA-N 0 0 401.315 5.783 50 0 HKAARN FC(F)(F)c1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cnn1-c1ccccc1 ZINC000001026449 557145106 /nfs/dbraw/zinc/14/51/06/557145106.db2.gz TZDBOJJAIZBATB-UHFFFAOYSA-N 0 0 424.304 5.627 50 0 HKAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccccc1C(F)(F)F ZINC000001026450 568763925 /nfs/dbraw/zinc/76/39/25/568763925.db2.gz ORFFBGKTRLHHSC-UHFFFAOYSA-N 0 0 414.412 5.212 50 0 HKAARN CCCc1c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccc1 ZINC000001026459 557145111 /nfs/dbraw/zinc/14/51/11/557145111.db2.gz INWSERMAPKZOMT-UHFFFAOYSA-N 0 0 404.392 5.367 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3cccc(OC)c3)ccc2c1N ZINC000001026470 568763852 /nfs/dbraw/zinc/76/38/52/568763852.db2.gz AKPICIFSMIUXEU-UHFFFAOYSA-N 0 0 419.506 5.205 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000001026487 557145448 /nfs/dbraw/zinc/14/54/48/557145448.db2.gz LAYNMTNWKJJNHD-UHFFFAOYSA-N 0 0 400.187 5.450 50 0 HKAARN CCCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 ZINC000001026490 557145433 /nfs/dbraw/zinc/14/54/33/557145433.db2.gz MTMNMLSDHIUNRC-UHFFFAOYSA-N 0 0 407.823 5.749 50 0 HKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4F)sc3n2)c1 ZINC000001026497 568763899 /nfs/dbraw/zinc/76/38/99/568763899.db2.gz KCSMZRHWTWSFAC-UHFFFAOYSA-N 0 0 411.433 5.085 50 0 HKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4C)sc3n2)c1 ZINC000001026505 568763901 /nfs/dbraw/zinc/76/39/01/568763901.db2.gz JCIYUUXYOCNUML-UHFFFAOYSA-N 0 0 419.506 5.123 50 0 HKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)c1 ZINC000001026508 568763895 /nfs/dbraw/zinc/76/38/95/568763895.db2.gz FKVODKNCTYKITD-UHFFFAOYSA-N 0 0 417.490 5.009 50 0 HKAARN CCCc1c(C(=O)Sc2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000001026521 557145329 /nfs/dbraw/zinc/14/53/29/557145329.db2.gz JZJWQPUONMYQJD-UHFFFAOYSA-N 0 0 401.329 5.520 50 0 HKAARN FC(F)(F)c1cc(-c2noc([C@@H]3CCc4ccccc4O3)n2)cc(C(F)(F)F)c1 ZINC000001026582 557145350 /nfs/dbraw/zinc/14/53/50/557145350.db2.gz IIJIVFCMNSINFI-HNNXBMFYSA-N 0 0 414.305 5.841 50 0 HKAARN FC(F)(F)c1cc(-c2noc([C@H]3CCc4ccccc4O3)n2)cc(C(F)(F)F)c1 ZINC000001026583 557145293 /nfs/dbraw/zinc/14/52/93/557145293.db2.gz IIJIVFCMNSINFI-OAHLLOKOSA-N 0 0 414.305 5.841 50 0 HKAARN COc1ccc2c(c1)CCCN2C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001026699 536969591 /nfs/dbraw/zinc/96/95/91/536969591.db2.gz OZAOYXYIJRRVHS-UHFFFAOYSA-N 0 0 417.292 5.558 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCc2cc(C)ccc21 ZINC000001026705 132235239 /nfs/dbraw/zinc/23/52/39/132235239.db2.gz CZRTZZHTZSLKCI-UHFFFAOYSA-N 0 0 401.293 5.858 50 0 HKAARN Fc1ccc(N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2Cl)cc1 ZINC000001026784 557145259 /nfs/dbraw/zinc/14/52/59/557145259.db2.gz ULEVPNIZYXKOCI-UHFFFAOYSA-N 0 0 414.889 5.611 50 0 HKAARN Cc1ccc(NC(=S)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000001026790 557145379 /nfs/dbraw/zinc/14/53/79/557145379.db2.gz IRZMNJNGXSBQOH-UHFFFAOYSA-N 0 0 413.905 5.849 50 0 HKAARN CC(C)c1ccc(Nc2ncc(C(=O)OCc3ccco3)c(C(F)(F)F)n2)cc1 ZINC000001027043 557145402 /nfs/dbraw/zinc/14/54/02/557145402.db2.gz FISLYJRRRQDOTI-UHFFFAOYSA-N 0 0 405.376 5.312 50 0 HKAARN COc1c(Br)csc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000001027142 557145314 /nfs/dbraw/zinc/14/53/14/557145314.db2.gz YIAWGSCTRDFOMG-UHFFFAOYSA-N 0 0 405.195 5.255 50 0 HKAARN Cn1nc(C(F)(F)F)c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)sc21 ZINC000001027205 557145324 /nfs/dbraw/zinc/14/53/24/557145324.db2.gz MJDGWDGIBNQBIR-UHFFFAOYSA-N 0 0 418.322 5.389 50 0 HKAARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 ZINC000001027434 557145360 /nfs/dbraw/zinc/14/53/60/557145360.db2.gz ODVMKMPQFFRHEI-UHFFFAOYSA-N 0 0 411.357 5.191 50 0 HKAARN CC(C)Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C(N)=O)s2)cc1 ZINC000001027487 557145550 /nfs/dbraw/zinc/14/55/50/557145550.db2.gz QJXGFHNCRKXKCL-UHFFFAOYSA-N 0 0 412.942 5.618 50 0 HKAARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1 ZINC000001027535 557145560 /nfs/dbraw/zinc/14/55/60/557145560.db2.gz GEOCGHUHGILDJD-UHFFFAOYSA-N 0 0 421.396 5.598 50 0 HKAARN COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001027562 557145619 /nfs/dbraw/zinc/14/56/19/557145619.db2.gz ZHKFBAXBFUQSDO-UHFFFAOYSA-N 0 0 422.289 5.886 50 0 HKAARN Cc1ccc(NC(=O)Nc2cc3ccccc3cc2NC(=O)Nc2ccc(C)cc2)cc1 ZINC000001027685 560561812 /nfs/dbraw/zinc/56/18/12/560561812.db2.gz NMHWEYWNJFXOBM-UHFFFAOYSA-N 0 0 424.504 6.745 50 0 HKAARN c1ccc2oc(SCc3cccc(CSc4nc5ccccc5o4)n3)nc2c1 ZINC000001027917 557145670 /nfs/dbraw/zinc/14/56/70/557145670.db2.gz FLNIMOHITBNFAP-UHFFFAOYSA-N 0 0 405.504 5.949 50 0 HKAARN CC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000001027957 557145598 /nfs/dbraw/zinc/14/55/98/557145598.db2.gz QAVAULZOTMDFBQ-UHFFFAOYSA-N 0 0 405.397 5.769 50 0 HKAARN O=C(Nc1ccccc1Sc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000001028037 557145709 /nfs/dbraw/zinc/14/57/09/557145709.db2.gz KEGNJJKZZSJUAU-UHFFFAOYSA-N 0 0 409.820 5.552 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 ZINC000001028255 557145932 /nfs/dbraw/zinc/14/59/32/557145932.db2.gz DVJMLMRBXHEUAR-UHFFFAOYSA-N 0 0 413.930 5.554 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccnc(SCc2ccccc2)n1 ZINC000001028313 557146007 /nfs/dbraw/zinc/14/60/07/557146007.db2.gz XUOBNROCOZPMFZ-UHFFFAOYSA-N 0 0 409.967 6.521 50 0 HKAARN Cc1cc(C)c(NC(=O)[C@H](C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1 ZINC000001028321 557145992 /nfs/dbraw/zinc/14/59/92/557145992.db2.gz DIZDVFAYWXWTHT-SFHVURJKSA-N 0 0 406.551 5.464 50 0 HKAARN O=C(CSc1nncn1-c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000001028487 557146055 /nfs/dbraw/zinc/14/60/55/557146055.db2.gz PAJKMRIKQGFZMB-UHFFFAOYSA-N 0 0 403.385 5.007 50 0 HKAARN COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000001028516 557145925 /nfs/dbraw/zinc/14/59/25/557145925.db2.gz DEVBYCOBXMZRLS-UHFFFAOYSA-N 0 0 415.411 6.375 50 0 HKAARN COc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c(Cl)c1OC ZINC000001028747 557146051 /nfs/dbraw/zinc/14/60/51/557146051.db2.gz WHHVNCDYRZGXHW-LJQANCHMSA-N 0 0 415.967 6.777 50 0 HKAARN COc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)c(Cl)c1OC ZINC000001028748 557145961 /nfs/dbraw/zinc/14/59/61/557145961.db2.gz WHHVNCDYRZGXHW-IBGZPJMESA-N 0 0 415.967 6.777 50 0 HKAARN COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)cc1 ZINC000001028970 557146228 /nfs/dbraw/zinc/14/62/28/557146228.db2.gz AKYHQFJYCFGHTJ-UHFFFAOYSA-N 0 0 405.347 5.898 50 0 HKAARN COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)cc2)cc1 ZINC000001028973 557146221 /nfs/dbraw/zinc/14/62/21/557146221.db2.gz RBBRARUOJXIYLC-UHFFFAOYSA-N 0 0 401.384 6.067 50 0 HKAARN COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000001028978 557146242 /nfs/dbraw/zinc/14/62/42/557146242.db2.gz RPMQOUOMIRSDNS-UHFFFAOYSA-N 0 0 417.383 5.767 50 0 HKAARN Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccc(C)c(Cl)c1 ZINC000001029317 557146257 /nfs/dbraw/zinc/14/62/57/557146257.db2.gz MDBFPYDDRUPBKZ-UHFFFAOYSA-N 0 0 410.848 6.351 50 0 HKAARN Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccc(F)cc1F ZINC000001029450 557146247 /nfs/dbraw/zinc/14/62/47/557146247.db2.gz NQWUXOYQUMBROK-UHFFFAOYSA-N 0 0 414.309 5.167 50 0 HKAARN Cc1cn(CCC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc12 ZINC000001029461 557146293 /nfs/dbraw/zinc/14/62/93/557146293.db2.gz PZLFHQHFDJLSJT-UHFFFAOYSA-N 0 0 412.415 5.183 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccc(F)cc4)c12)CCC3 ZINC000001029506 560562019 /nfs/dbraw/zinc/56/20/19/560562019.db2.gz TUTIDEQFAOHNOS-UHFFFAOYSA-N 0 0 403.482 5.426 50 0 HKAARN Cc1cc(C)c(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000001029793 557146520 /nfs/dbraw/zinc/14/65/20/557146520.db2.gz SKFKEKNUZLTWHF-UHFFFAOYSA-N 0 0 419.525 5.135 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1)c1cccs1 ZINC000001029800 132235206 /nfs/dbraw/zinc/23/52/06/132235206.db2.gz QTQJWDHBPPUEHD-UHFFFAOYSA-N 0 0 402.441 5.582 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000001029804 132235285 /nfs/dbraw/zinc/23/52/85/132235285.db2.gz XRKWXBUOCCXPAE-UHFFFAOYSA-N 0 0 414.402 5.660 50 0 HKAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001029917 557146531 /nfs/dbraw/zinc/14/65/31/557146531.db2.gz NQDBUHZVICZEGR-UHFFFAOYSA-N 0 0 423.774 5.642 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000001029966 557146542 /nfs/dbraw/zinc/14/65/42/557146542.db2.gz GZRNHJHILOMJPR-UHFFFAOYSA-N 0 0 423.616 5.774 50 0 HKAARN FC(F)(F)c1cc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc(C(F)(F)F)c1 ZINC000001030057 557146591 /nfs/dbraw/zinc/14/65/91/557146591.db2.gz YUWMWLJOXCOZRV-UHFFFAOYSA-N 0 0 400.278 5.376 50 0 HKAARN Cc1c(C(=O)N(Cc2cccs2)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000001030237 557146523 /nfs/dbraw/zinc/14/65/23/557146523.db2.gz ZNQUQWGFIOFWNM-UHFFFAOYSA-N 0 0 421.953 5.738 50 0 HKAARN Cc1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cnn1-c1ccc(Cl)cc1 ZINC000001030238 557146554 /nfs/dbraw/zinc/14/65/54/557146554.db2.gz JFSHGRXYSQHRIG-UHFFFAOYSA-N 0 0 416.912 5.072 50 0 HKAARN O=C1N=NC(SCc2c(F)cccc2Cl)N1c1ccccc1C(F)(F)F ZINC000001030394 557146917 /nfs/dbraw/zinc/14/69/17/557146917.db2.gz IXARAYUOYQAWDW-UHFFFAOYSA-N 0 0 403.788 5.077 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(Cl)cc1Cl ZINC000001030443 557146910 /nfs/dbraw/zinc/14/69/10/557146910.db2.gz MGECKNCGBFQJPT-UHFFFAOYSA-N 0 0 400.237 6.039 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001030450 557146934 /nfs/dbraw/zinc/14/69/34/557146934.db2.gz DEDABWSOZIRTFU-UHFFFAOYSA-N 0 0 415.343 5.631 50 0 HKAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(C)c(Cl)c2)ccc1N1CCCCC1 ZINC000001030595 132235436 /nfs/dbraw/zinc/23/54/36/132235436.db2.gz NWHGINFYBFVPPL-UHFFFAOYSA-N 0 0 415.921 5.459 50 0 HKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001030711 568764284 /nfs/dbraw/zinc/76/42/84/568764284.db2.gz BOLVHMDECTUFRO-XMMPIXPASA-N 0 0 416.908 5.618 50 0 biogenic HKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001030714 568764217 /nfs/dbraw/zinc/76/42/17/568764217.db2.gz BOLVHMDECTUFRO-DEOSSOPVSA-N 0 0 416.908 5.618 50 0 biogenic HKAARN CC(C)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3n2C(C)C)cc1 ZINC000001030819 557146926 /nfs/dbraw/zinc/14/69/26/557146926.db2.gz YJUTTYXTFVUJLT-UHFFFAOYSA-N 0 0 401.963 6.125 50 0 HKAARN CC(C)c1cc(Br)c(NC(=O)NCc2ccco2)c(Br)c1 ZINC000001030848 557146900 /nfs/dbraw/zinc/14/69/00/557146900.db2.gz ZHLBVHFCOZTEFO-UHFFFAOYSA-N 0 0 416.113 5.250 50 0 HKAARN CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 ZINC000001030851 557146928 /nfs/dbraw/zinc/14/69/28/557146928.db2.gz JFNKIJKRXKPQCC-UHFFFAOYSA-N 0 0 413.113 5.374 50 0 in-vitro HKAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1cccc2ccccc21 ZINC000001030856 568764255 /nfs/dbraw/zinc/76/42/55/568764255.db2.gz BJJSSALWGJIQGY-UHFFFAOYSA-N 0 0 411.782 6.025 50 0 HKAARN O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001031143 557146905 /nfs/dbraw/zinc/14/69/05/557146905.db2.gz PCJCTZBXTBJNLS-UHFFFAOYSA-N 0 0 413.808 5.600 50 0 HKAARN Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1-c1ccc2ncccc2c1 ZINC000001031156 557146907 /nfs/dbraw/zinc/14/69/07/557146907.db2.gz VCZZOVPLXUIHPG-UHFFFAOYSA-N 0 0 409.927 5.445 50 0 HKAARN Cn1nc(C(C)(C)C)c(NC(=O)c2sc3ccccc3c2Cl)c1C(C)(C)C ZINC000001031169 557146908 /nfs/dbraw/zinc/14/69/08/557146908.db2.gz LTOWJNVXPWCODE-UHFFFAOYSA-N 0 0 403.979 6.136 50 0 HKAARN Cc1cnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1 ZINC000001031173 557146899 /nfs/dbraw/zinc/14/68/99/557146899.db2.gz ASXGQFZKACXMDJ-UHFFFAOYSA-N 0 0 412.287 5.376 50 0 HKAARN CCCc1c(C(=O)N(Cc2cccs2)Cc2ccccc2)cnn1-c1ccccc1 ZINC000001031185 557147221 /nfs/dbraw/zinc/14/72/21/557147221.db2.gz KLNLRLBHXCSFLK-UHFFFAOYSA-N 0 0 415.562 5.729 50 0 HKAARN CCOC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1Oc1cncc(Cl)c1 ZINC000001031429 557147233 /nfs/dbraw/zinc/14/72/33/557147233.db2.gz REVHNLVLISABLI-UHFFFAOYSA-N 0 0 411.845 5.348 50 0 HKAARN O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000001031474 557147186 /nfs/dbraw/zinc/14/71/86/557147186.db2.gz RQCDLFOVDBNKJU-UHFFFAOYSA-N 0 0 412.582 5.023 50 0 HKAARN COC(Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1)OC ZINC000001031611 557147196 /nfs/dbraw/zinc/14/71/96/557147196.db2.gz AZCUBAAYVVQLEN-UHFFFAOYSA-N 0 0 424.353 5.163 50 0 HKAARN COC(Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1)OC ZINC000001031615 557147231 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KAAVVHHDBYVBKS-UHFFFAOYSA-N 0 0 416.221 5.604 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1 ZINC000001056696 132235797 /nfs/dbraw/zinc/23/57/97/132235797.db2.gz HWNHYLOMRFIYBV-UHFFFAOYSA-N 0 0 401.963 5.012 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000001056786 557161922 /nfs/dbraw/zinc/16/19/22/557161922.db2.gz ZDAGPLQXLNEPFS-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN Cc1ccc(Nc2nc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)cs2)cc1 ZINC000001056970 568764493 /nfs/dbraw/zinc/76/44/93/568764493.db2.gz KMLWMTWTZIGMQK-UHFFFAOYSA-N 0 0 411.486 5.663 50 0 HKAARN COc1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1 ZINC000001057159 568764378 /nfs/dbraw/zinc/76/43/78/568764378.db2.gz GLPUDWVOYFUUAF-UHFFFAOYSA-N 0 0 408.264 5.167 50 0 HKAARN CCc1ccc2oc(C(=O)Nc3cccc(I)c3)c(C)c2c1 ZINC000001057177 557161886 /nfs/dbraw/zinc/16/18/86/557161886.db2.gz JJEHHXYDKZBXQT-UHFFFAOYSA-N 0 0 405.235 5.161 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000001057481 569277076 /nfs/dbraw/zinc/27/70/76/569277076.db2.gz DCESEFRJAQCGAE-UHFFFAOYSA-N 0 0 413.546 6.091 50 0 HKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2)c1ccco1 ZINC000001057511 557162218 /nfs/dbraw/zinc/16/22/18/557162218.db2.gz XOCBYLNMQDMMNH-UHFFFAOYSA-N 0 0 414.914 5.768 50 0 HKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 ZINC000001057522 557162188 /nfs/dbraw/zinc/16/21/88/557162188.db2.gz FIGRTQFBMMXFQX-AWEZNQCLSA-N 0 0 404.601 5.449 50 0 HKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000001057524 557162181 /nfs/dbraw/zinc/16/21/81/557162181.db2.gz FIGRTQFBMMXFQX-CQSZACIVSA-N 0 0 404.601 5.449 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 ZINC000001057620 569277080 /nfs/dbraw/zinc/27/70/80/569277080.db2.gz WDKMHYKKNASERZ-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN O=C(Nc1cccc2ccccc21)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000001057638 557162203 /nfs/dbraw/zinc/16/22/03/557162203.db2.gz ACUQMDLDGSVSSX-UHFFFAOYSA-N 0 0 416.480 6.498 50 0 HKAARN Cc1cccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001057641 557162211 /nfs/dbraw/zinc/16/22/11/557162211.db2.gz LZCZZLZJCOYQDW-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN COc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C ZINC000001057688 557162197 /nfs/dbraw/zinc/16/21/97/557162197.db2.gz CJJQDHRSRJCEFC-UHFFFAOYSA-N 0 0 416.521 5.234 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)c(C)c1 ZINC000001057788 557162199 /nfs/dbraw/zinc/16/21/99/557162199.db2.gz PCLGDWOCMUAILB-UHFFFAOYSA-N 0 0 416.477 5.452 50 0 HKAARN COc1cccc(C(=O)Nc2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000001057904 557162216 /nfs/dbraw/zinc/16/22/16/557162216.db2.gz QIBHQPIZPFUCFM-UHFFFAOYSA-N 0 0 407.520 5.245 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccco2)cc1 ZINC000001057984 557162525 /nfs/dbraw/zinc/16/25/25/557162525.db2.gz HOCKCLBUHUKGDV-UHFFFAOYSA-N 0 0 409.898 5.464 50 0 HKAARN Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1 ZINC000001058013 557162464 /nfs/dbraw/zinc/16/24/64/557162464.db2.gz WXUOUFQXXMYEBV-UHFFFAOYSA-N 0 0 422.535 5.067 50 0 HKAARN CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c2nc3ccccc3cc21 ZINC000001058114 568765812 /nfs/dbraw/zinc/76/58/12/568765812.db2.gz RLEGGVISLDMBRR-UHFFFAOYSA-N 0 0 417.505 5.188 50 0 HKAARN Fc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccccc1 ZINC000001058116 557162495 /nfs/dbraw/zinc/16/24/95/557162495.db2.gz IUWQCDDVAPAWDW-UHFFFAOYSA-N 0 0 401.470 5.242 50 0 HKAARN FC(F)Sc1nnc(COc2cccc3cccnc32)n1-c1ccc(Cl)cc1 ZINC000001058165 557162538 /nfs/dbraw/zinc/16/25/38/557162538.db2.gz NCAAIIYKIXFAED-UHFFFAOYSA-N 0 0 418.856 5.363 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000001058301 557162498 /nfs/dbraw/zinc/16/24/98/557162498.db2.gz LNEJJACFKNLRMK-UHFFFAOYSA-N 0 0 419.868 5.708 50 0 HKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F)N1CCCc2ccccc21 ZINC000001058366 569277095 /nfs/dbraw/zinc/27/70/95/569277095.db2.gz NPDPNBKTSLAUBL-UHFFFAOYSA-N 0 0 422.410 5.008 50 0 HKAARN O=C(CSCc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001058431 569277126 /nfs/dbraw/zinc/27/71/26/569277126.db2.gz DWWPRSFNJWFNLK-UHFFFAOYSA-N 0 0 412.235 6.023 50 0 HKAARN O=C(c1ccccc1CCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001058478 132236050 /nfs/dbraw/zinc/23/60/50/132236050.db2.gz OGQFNZNOIIUNQG-UHFFFAOYSA-N 0 0 404.941 5.088 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1OC ZINC000001058552 557162877 /nfs/dbraw/zinc/16/28/77/557162877.db2.gz ICGHTTBRXIAWNX-UHFFFAOYSA-N 0 0 413.399 5.432 50 0 HKAARN Cc1ccc(OCc2ccccc2C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000001058608 557162794 /nfs/dbraw/zinc/16/27/94/557162794.db2.gz VCBKKUWZCWVDOP-UHFFFAOYSA-N 0 0 408.501 5.812 50 0 HKAARN CCOc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000001058726 557162798 /nfs/dbraw/zinc/16/27/98/557162798.db2.gz XULKLIDPZJXMID-UHFFFAOYSA-N 0 0 408.342 5.433 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000001058791 557162848 /nfs/dbraw/zinc/16/28/48/557162848.db2.gz LMQIROZUTBFYRX-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001059019 557162855 /nfs/dbraw/zinc/16/28/55/557162855.db2.gz ANTUFIRZJYGMAO-UHFFFAOYSA-N 0 0 402.494 5.497 50 0 HKAARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)cc1 ZINC000001059044 132235961 /nfs/dbraw/zinc/23/59/61/132235961.db2.gz IYAQNSUNNCNRTB-UHFFFAOYSA-N 0 0 408.354 5.111 50 0 HKAARN COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000001059277 557163112 /nfs/dbraw/zinc/16/31/12/557163112.db2.gz ZATMDZWXPUHBAO-UHFFFAOYSA-N 0 0 415.518 5.226 50 0 HKAARN CC(C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001059284 132235992 /nfs/dbraw/zinc/23/59/92/132235992.db2.gz QZYUZGVSGUNDQB-UHFFFAOYSA-N 0 0 403.507 5.660 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)cc1 ZINC000001059339 557163106 /nfs/dbraw/zinc/16/31/06/557163106.db2.gz JTWPHVBXINDCLN-QHCPKHFHSA-N 0 0 402.519 5.416 50 0 biogenic HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)cc1 ZINC000001059341 557163040 /nfs/dbraw/zinc/16/30/40/557163040.db2.gz JTWPHVBXINDCLN-HSZRJFAPSA-N 0 0 402.519 5.416 50 0 biogenic HKAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000001059650 557163430 /nfs/dbraw/zinc/16/34/30/557163430.db2.gz QAIWBXZBVXWVPW-UHFFFAOYSA-N 0 0 407.775 6.074 50 0 HKAARN CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000001059652 569277108 /nfs/dbraw/zinc/27/71/08/569277108.db2.gz ZTXXZVQTBADCKB-UHFFFAOYSA-N 0 0 402.519 5.374 50 0 HKAARN CCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 ZINC000001060383 557163691 /nfs/dbraw/zinc/16/36/91/557163691.db2.gz ZOPUUKOHPQTEEN-UHFFFAOYSA-N 0 0 401.797 5.285 50 0 HKAARN O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000001060517 557163716 /nfs/dbraw/zinc/16/37/16/557163716.db2.gz RLHPSKHRDKGWAZ-NRFANRHFSA-N 0 0 405.295 5.533 50 0 HKAARN O=C1C(Nc2ccccc2)=C[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000001060519 557163732 /nfs/dbraw/zinc/16/37/32/557163732.db2.gz RLHPSKHRDKGWAZ-OAQYLSRUSA-N 0 0 405.295 5.533 50 0 HKAARN Cc1nc2ccccc2nc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000001060547 557163688 /nfs/dbraw/zinc/16/36/88/557163688.db2.gz JABOOCZCMYYZKS-UHFFFAOYSA-N 0 0 423.545 5.402 50 0 HKAARN CCOC(=O)Nc1cccc(NC(=O)CC2c3ccccc3Oc3ccccc32)c1 ZINC000001060615 557163687 /nfs/dbraw/zinc/16/36/87/557163687.db2.gz FBDKWLLNTUDAGT-UHFFFAOYSA-N 0 0 402.450 5.521 50 0 HKAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000001060638 569277090 /nfs/dbraw/zinc/27/70/90/569277090.db2.gz KLLHNUFGZUMLFM-UHFFFAOYSA-N 0 0 415.518 5.483 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001060682 557163697 /nfs/dbraw/zinc/16/36/97/557163697.db2.gz WILIDUYDFNJSSK-UHFFFAOYSA-N 0 0 418.349 5.079 50 0 HKAARN O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1)c1cc2ccccc2o1 ZINC000001060741 557163689 /nfs/dbraw/zinc/16/36/89/557163689.db2.gz DREWVAABJZOHES-UHFFFAOYSA-N 0 0 404.425 6.647 50 0 HKAARN O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Cl)cc1Cl ZINC000001060766 557163712 /nfs/dbraw/zinc/16/37/12/557163712.db2.gz HCGQXUOFQOEYLB-UHFFFAOYSA-N 0 0 417.292 5.174 50 0 HKAARN O=C(CSCc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl ZINC000001060788 557163678 /nfs/dbraw/zinc/16/36/78/557163678.db2.gz YURTVAZBBFZTAN-UHFFFAOYSA-N 0 0 405.144 5.628 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nnc(SCc4ccccc4)o3)cc2)cc1 ZINC000001060895 557163957 /nfs/dbraw/zinc/16/39/57/557163957.db2.gz BRCZPTANPKOQFZ-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN CC(C)(C)NC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000001060929 557163952 /nfs/dbraw/zinc/16/39/52/557163952.db2.gz YFSAWADMOIMJLP-UHFFFAOYSA-N 0 0 400.522 5.376 50 0 HKAARN Cc1nc2sc3c(c2c(Oc2ccc(NC(=O)c4cccs4)cc2)n1)CCCC3 ZINC000001061183 568766241 /nfs/dbraw/zinc/76/62/41/568766241.db2.gz XLGNJADZCUBYHA-UHFFFAOYSA-N 0 0 421.547 5.985 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1C ZINC000001061254 557163962 /nfs/dbraw/zinc/16/39/62/557163962.db2.gz VTCIYHMRGMHRQH-UHFFFAOYSA-N 0 0 420.456 5.387 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000001061288 557164069 /nfs/dbraw/zinc/16/40/69/557164069.db2.gz UKBFESOMJNBMGZ-UHFFFAOYSA-N 0 0 408.457 5.422 50 0 HKAARN Cc1nc(SCc2ccc(Br)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000001061536 557163985 /nfs/dbraw/zinc/16/39/85/557163985.db2.gz RWXAVNRVOSXMFI-UHFFFAOYSA-N 0 0 401.329 5.136 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000001061599 568766286 /nfs/dbraw/zinc/76/62/86/568766286.db2.gz IMPXWARSHFVEAO-UHFFFAOYSA-N 0 0 406.532 5.850 50 0 HKAARN COC(=O)c1ccccc1NCn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000001061611 557164388 /nfs/dbraw/zinc/16/43/88/557164388.db2.gz HKJCPMHGQOINRP-UHFFFAOYSA-N 0 0 410.282 5.036 50 0 HKAARN Cc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1C ZINC000001061665 132235968 /nfs/dbraw/zinc/23/59/68/132235968.db2.gz MTNGOJDEQLEJEI-UHFFFAOYSA-N 0 0 415.562 5.848 50 0 HKAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1Sc2ccccc2NC1=O ZINC000001061714 569277208 /nfs/dbraw/zinc/27/72/08/569277208.db2.gz NJYCHDDDGQDHPT-BTYIYWSLSA-N 0 0 404.491 5.167 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1Sc2ccccc2NC1=O ZINC000001061716 569277232 /nfs/dbraw/zinc/27/72/32/569277232.db2.gz NJYCHDDDGQDHPT-VFNWGFHPSA-N 0 0 404.491 5.167 50 0 HKAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1Sc2ccccc2NC1=O ZINC000001061718 569277229 /nfs/dbraw/zinc/27/72/29/569277229.db2.gz NJYCHDDDGQDHPT-YCRPNKLZSA-N 0 0 404.491 5.167 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1Sc2ccccc2NC1=O ZINC000001061719 569277231 /nfs/dbraw/zinc/27/72/31/569277231.db2.gz NJYCHDDDGQDHPT-QVKFZJNVSA-N 0 0 404.491 5.167 50 0 HKAARN COc1ccc(CCn2c3c(c(=S)nc2-c2cccc(C)c2)CCCC3)cc1OC ZINC000001061847 569277213 /nfs/dbraw/zinc/27/72/13/569277213.db2.gz YTKFKDZIULUBON-UHFFFAOYSA-N 0 0 420.578 5.727 50 0 HKAARN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000001061942 568766259 /nfs/dbraw/zinc/76/62/59/568766259.db2.gz WMZRKKHORGIITJ-UHFFFAOYSA-N 0 0 420.490 5.528 50 0 HKAARN COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)c1 ZINC000001062149 557164414 /nfs/dbraw/zinc/16/44/14/557164414.db2.gz LHCHRFZQWUTBOY-UHFFFAOYSA-N 0 0 405.841 5.318 50 0 HKAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000001062448 557164697 /nfs/dbraw/zinc/16/46/97/557164697.db2.gz DAFNNZWQTJQQAP-UHFFFAOYSA-N 0 0 420.328 5.115 50 0 HKAARN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000001062526 557164709 /nfs/dbraw/zinc/16/47/09/557164709.db2.gz LHRHHFPMKIQYFT-UHFFFAOYSA-N 0 0 402.500 5.389 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(C)c1OC ZINC000001062702 557164717 /nfs/dbraw/zinc/16/47/17/557164717.db2.gz KNNYWISBHOLKGP-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000001063213 568766547 /nfs/dbraw/zinc/76/65/47/568766547.db2.gz BAZJPAWOUMWIMH-UHFFFAOYSA-N 0 0 401.919 5.320 50 0 HKAARN CCOc1ccc(NC(=O)[C@H]2CC2(c2cccc(OC)c2)c2cccc(OC)c2)cc1 ZINC000001063215 557165105 /nfs/dbraw/zinc/16/51/05/557165105.db2.gz BFTAQLDVRUKVHF-XMMPIXPASA-N 0 0 417.505 5.047 50 0 HKAARN CCOc1ccc(NC(=O)[C@@H]2CC2(c2cccc(OC)c2)c2cccc(OC)c2)cc1 ZINC000001063216 557165011 /nfs/dbraw/zinc/16/50/11/557165011.db2.gz BFTAQLDVRUKVHF-DEOSSOPVSA-N 0 0 417.505 5.047 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1C ZINC000001063232 557165017 /nfs/dbraw/zinc/16/50/17/557165017.db2.gz FSGLRPBTLOQKGM-UHFFFAOYSA-N 0 0 422.550 5.282 50 0 HKAARN O=C(Nc1nnc(SCc2cccc3ccccc32)s1)c1cccc(Cl)c1 ZINC000001063252 557165088 /nfs/dbraw/zinc/16/50/88/557165088.db2.gz VPESZQMYOUADHH-UHFFFAOYSA-N 0 0 411.939 5.889 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1 ZINC000001063504 568766446 /nfs/dbraw/zinc/76/64/46/568766446.db2.gz RDUJUPNTEPDOHH-SANMLTNESA-N 0 0 410.517 5.663 50 0 biogenic HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1 ZINC000001063505 568766495 /nfs/dbraw/zinc/76/64/95/568766495.db2.gz RDUJUPNTEPDOHH-AREMUKBSSA-N 0 0 410.517 5.663 50 0 biogenic HKAARN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000001063570 557165287 /nfs/dbraw/zinc/16/52/87/557165287.db2.gz ZQFAIWXVMXTVQS-UHFFFAOYSA-N 0 0 422.550 5.227 50 0 HKAARN COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)c1 ZINC000001063786 557165216 /nfs/dbraw/zinc/16/52/16/557165216.db2.gz BEZZFHQMKXWHRC-UHFFFAOYSA-N 0 0 420.509 5.060 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccc1F ZINC000001063876 569277211 /nfs/dbraw/zinc/27/72/11/569277211.db2.gz SQHUJAJQOYPVIP-UHFFFAOYSA-N 0 0 403.482 5.614 50 0 HKAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 ZINC000001064012 557165634 /nfs/dbraw/zinc/16/56/34/557165634.db2.gz MOQRRTTUQUZKAU-SFHVURJKSA-N 0 0 402.519 5.138 50 0 HKAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 ZINC000001064014 557165663 /nfs/dbraw/zinc/16/56/63/557165663.db2.gz MOQRRTTUQUZKAU-GOSISDBHSA-N 0 0 402.519 5.138 50 0 HKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001064235 568766516 /nfs/dbraw/zinc/76/65/16/568766516.db2.gz QKDNDCHAXBJDJA-XMMPIXPASA-N 0 0 401.506 5.265 50 0 HKAARN COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001064238 568766556 /nfs/dbraw/zinc/76/65/56/568766556.db2.gz QKDNDCHAXBJDJA-DEOSSOPVSA-N 0 0 401.506 5.265 50 0 HKAARN FC(F)(F)c1cccc(NCn2nc(-c3ccc(Cl)cc3Cl)oc2=S)c1 ZINC000001064271 568766500 /nfs/dbraw/zinc/76/65/00/568766500.db2.gz MUSKGAMLPIUPDC-UHFFFAOYSA-N 0 0 420.243 6.268 50 0 HKAARN O=C(N1CCN(c2cccc(Cl)c2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000001064295 132235990 /nfs/dbraw/zinc/23/59/90/132235990.db2.gz MFOBTLRKQXMEOV-UHFFFAOYSA-N 0 0 421.953 5.885 50 0 HKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000001064515 132235998 /nfs/dbraw/zinc/23/59/98/132235998.db2.gz RKNQSFIXDXLHEM-JHATUCIOSA-N 0 0 410.517 5.619 50 0 HKAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000001064524 568766528 /nfs/dbraw/zinc/76/65/28/568766528.db2.gz HSWZWBFKGNHVPH-UHFFFAOYSA-N 0 0 413.568 5.301 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(C)cc1Br ZINC000001064701 557165690 /nfs/dbraw/zinc/16/56/90/557165690.db2.gz SYOYXFRPJLGHNK-UHFFFAOYSA-N 0 0 402.210 5.102 50 0 HKAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001065173 557165930 /nfs/dbraw/zinc/16/59/30/557165930.db2.gz HJBBMUBTPAGWQR-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 HKAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1sc2ccccc2c1Cl ZINC000001065229 132236135 /nfs/dbraw/zinc/23/61/35/132236135.db2.gz KUOZOQAOGYDQDO-UHFFFAOYSA-N 0 0 407.322 5.297 50 0 HKAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C ZINC000001065273 557165976 /nfs/dbraw/zinc/16/59/76/557165976.db2.gz VZEHKADWTBTQJR-UHFFFAOYSA-N 0 0 417.534 5.947 50 0 HKAARN CC1(C)C[C@]2(C[C@@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065278 568766570 /nfs/dbraw/zinc/76/65/70/568766570.db2.gz PMUHCWYQISFPNP-PXNSSMCTSA-N 0 0 423.365 5.065 50 0 HKAARN CC1(C)C[C@@]2(C[C@@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065281 568766530 /nfs/dbraw/zinc/76/65/30/568766530.db2.gz PMUHCWYQISFPNP-FXAWDEMLSA-N 0 0 423.365 5.065 50 0 HKAARN CC1(C)C[C@]2(C[C@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065282 568766466 /nfs/dbraw/zinc/76/64/66/568766466.db2.gz PMUHCWYQISFPNP-XLIONFOSSA-N 0 0 423.365 5.065 50 0 HKAARN CC1(C)C[C@@]2(C[C@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 ZINC000001065284 568766558 /nfs/dbraw/zinc/76/65/58/568766558.db2.gz PMUHCWYQISFPNP-YLJYHZDGSA-N 0 0 423.365 5.065 50 0 HKAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000001065296 132236202 /nfs/dbraw/zinc/23/62/02/132236202.db2.gz WNXYOAYFXOGFSQ-UHFFFAOYSA-N 0 0 422.912 5.008 50 0 HKAARN O=C(NC(=S)Nc1cccc2ncccc21)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001065409 560727064 /nfs/dbraw/zinc/72/70/64/560727064.db2.gz BBJQUENXOORQDU-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN COc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000001065422 560727004 /nfs/dbraw/zinc/72/70/04/560727004.db2.gz PVRLDUHQVQMKKT-UHFFFAOYSA-N 0 0 423.519 5.000 50 0 HKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)o1 ZINC000001065431 557165911 /nfs/dbraw/zinc/16/59/11/557165911.db2.gz MMEHGCHRMYQPSK-UHFFFAOYSA-N 0 0 413.296 5.249 50 0 aggregator HKAARN COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000001065548 557165956 /nfs/dbraw/zinc/16/59/56/557165956.db2.gz FYNINZZKECYJEE-UHFFFAOYSA-N 0 0 405.928 5.301 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)c(Br)cc1C ZINC000001065743 557166216 /nfs/dbraw/zinc/16/62/16/557166216.db2.gz NICOSCWYJFOXAD-UHFFFAOYSA-N 0 0 412.711 5.054 50 0 HKAARN O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001066035 557166208 /nfs/dbraw/zinc/16/62/08/557166208.db2.gz XRIXWQUXAASILV-QHCPKHFHSA-N 0 0 423.299 5.257 50 0 HKAARN O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000001066036 557166277 /nfs/dbraw/zinc/16/62/77/557166277.db2.gz XRIXWQUXAASILV-HSZRJFAPSA-N 0 0 423.299 5.257 50 0 HKAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccco1)CCCCC2 ZINC000001066086 568766576 /nfs/dbraw/zinc/76/65/76/568766576.db2.gz NNTHCYUBMOKJNN-UHFFFAOYSA-N 0 0 424.522 5.513 50 0 HKAARN COc1ccc(CCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000001066144 557166530 /nfs/dbraw/zinc/16/65/30/557166530.db2.gz ROUJTGYQHKASAJ-UHFFFAOYSA-N 0 0 421.562 5.277 50 0 HKAARN Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2c[nH]c3ccccc32)c(C)c1 ZINC000001066433 568766678 /nfs/dbraw/zinc/76/66/78/568766678.db2.gz OLLDLNACYLCABB-VWLOTQADSA-N 0 0 414.530 5.549 50 0 HKAARN Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2c[nH]c3ccccc32)c(C)c1 ZINC000001066437 568766740 /nfs/dbraw/zinc/76/67/40/568766740.db2.gz OLLDLNACYLCABB-RUZDIDTESA-N 0 0 414.530 5.549 50 0 HKAARN O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000001066580 557166521 /nfs/dbraw/zinc/16/65/21/557166521.db2.gz AOZLXUGICVBUAE-UHFFFAOYSA-N 0 0 400.912 5.418 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)o1 ZINC000001066595 557166626 /nfs/dbraw/zinc/16/66/26/557166626.db2.gz JGDAZBPBAKUOSN-UHFFFAOYSA-N 0 0 410.227 5.011 50 0 HKAARN O=C(Nc1ccc(C(=O)OCc2ccccc2Br)cc1)c1ccccc1 ZINC000001066602 557166618 /nfs/dbraw/zinc/16/66/18/557166618.db2.gz WEXRLPICDBKORN-UHFFFAOYSA-N 0 0 410.267 5.058 50 0 HKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(c3c[nH]c4ccccc43)C2=O)c(C)c1 ZINC000001066825 557166990 /nfs/dbraw/zinc/16/69/90/557166990.db2.gz RUPQOEALIIJGRD-RUZDIDTESA-N 0 0 416.908 5.221 50 0 HKAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(c3c[nH]c4ccccc43)C2=O)c(C)c1 ZINC000001066826 557167009 /nfs/dbraw/zinc/16/70/09/557167009.db2.gz RUPQOEALIIJGRD-VWLOTQADSA-N 0 0 416.908 5.221 50 0 HKAARN C[C@H]1CC(C)(C)N(C(=O)Cn2nc3sc4ccccc4n3c2=S)c2ccccc21 ZINC000001067244 132236197 /nfs/dbraw/zinc/23/61/97/132236197.db2.gz IHVKZBIGDBHPJA-AWEZNQCLSA-N 0 0 422.579 5.399 50 0 HKAARN C[C@@H]1CC(C)(C)N(C(=O)Cn2nc3sc4ccccc4n3c2=S)c2ccccc21 ZINC000001067245 132236179 /nfs/dbraw/zinc/23/61/79/132236179.db2.gz IHVKZBIGDBHPJA-CQSZACIVSA-N 0 0 422.579 5.399 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000001067305 557167018 /nfs/dbraw/zinc/16/70/18/557167018.db2.gz WUGIRYPWFAEZJI-UHFFFAOYSA-N 0 0 414.505 5.488 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000001067340 557166966 /nfs/dbraw/zinc/16/69/66/557166966.db2.gz ABAPVCQZQVSZNX-UHFFFAOYSA-N 0 0 416.521 5.562 50 0 HKAARN O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000001067516 568766632 /nfs/dbraw/zinc/76/66/32/568766632.db2.gz OALXNZWTBQJHHN-UHFFFAOYSA-N 0 0 411.244 5.046 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000001067534 557167001 /nfs/dbraw/zinc/16/70/01/557167001.db2.gz ZHPCCPYCFSGPJY-UHFFFAOYSA-N 0 0 416.477 5.888 50 0 HKAARN CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc4ccccc4o3)sc2c1 ZINC000001067603 557166999 /nfs/dbraw/zinc/16/69/99/557166999.db2.gz DRZULDNXBXCLMD-INIZCTEOSA-N 0 0 413.524 5.346 50 0 HKAARN CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc4ccccc4o3)sc2c1 ZINC000001067604 557166984 /nfs/dbraw/zinc/16/69/84/557166984.db2.gz DRZULDNXBXCLMD-MRXNPFEDSA-N 0 0 413.524 5.346 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1cccs1 ZINC000001067744 557167217 /nfs/dbraw/zinc/16/72/17/557167217.db2.gz GEHNCNYLOOFMDH-UHFFFAOYSA-N 0 0 406.894 6.059 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 ZINC000001067748 557167256 /nfs/dbraw/zinc/16/72/56/557167256.db2.gz JFGPQFPTBLJFBA-UHFFFAOYSA-N 0 0 408.885 5.416 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2cccc(Br)c2)no1 ZINC000001067775 557167243 /nfs/dbraw/zinc/16/72/43/557167243.db2.gz YNTGDDPRPMPVJC-UHFFFAOYSA-N 0 0 416.662 5.783 50 0 HKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000001067864 557167228 /nfs/dbraw/zinc/16/72/28/557167228.db2.gz ROTOWSQPGQFGRE-UHFFFAOYSA-N 0 0 420.900 5.178 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@H](C)C2 ZINC000001067913 557167313 /nfs/dbraw/zinc/16/73/13/557167313.db2.gz XXINNTKXCHIQQW-NSHDSACASA-N 0 0 422.344 5.064 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@@H](C)C2 ZINC000001067914 557167284 /nfs/dbraw/zinc/16/72/84/557167284.db2.gz XXINNTKXCHIQQW-LLVKDONJSA-N 0 0 422.344 5.064 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001067958 557167201 /nfs/dbraw/zinc/16/72/01/557167201.db2.gz YBTRRBWMZQSUPI-UHFFFAOYSA-N 0 0 407.857 5.339 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000001068002 557167307 /nfs/dbraw/zinc/16/73/07/557167307.db2.gz KTONBMIRYVRZNB-UHFFFAOYSA-N 0 0 416.477 5.644 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000001068004 557167195 /nfs/dbraw/zinc/16/71/95/557167195.db2.gz SWNBRKVFRYIEOV-UHFFFAOYSA-N 0 0 416.521 5.317 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000001068050 560727060 /nfs/dbraw/zinc/72/70/60/560727060.db2.gz GPACELIBQPSRPV-LLVKDONJSA-N 0 0 411.354 5.642 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000001068052 560727063 /nfs/dbraw/zinc/72/70/63/560727063.db2.gz GPACELIBQPSRPV-NSHDSACASA-N 0 0 411.354 5.642 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000001068165 557167609 /nfs/dbraw/zinc/16/76/09/557167609.db2.gz TWOJTCAODGATPF-ZBFHGGJFSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000001068167 557167502 /nfs/dbraw/zinc/16/75/02/557167502.db2.gz TWOJTCAODGATPF-GDBMZVCRSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000001068168 557167514 /nfs/dbraw/zinc/16/75/14/557167514.db2.gz TWOJTCAODGATPF-HOCLYGCPSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000001068169 557167587 /nfs/dbraw/zinc/16/75/87/557167587.db2.gz TWOJTCAODGATPF-GOEBONIOSA-N 0 0 424.810 5.351 50 0 HKAARN CSc1nc2sc3c(c2c(SCCc2ccccc2)n1)CC(C)(C)OC3 ZINC000001068205 557167519 /nfs/dbraw/zinc/16/75/19/557167519.db2.gz UERXSNOIMJVBKV-UHFFFAOYSA-N 0 0 402.610 5.599 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n21)CCCC3 ZINC000001068208 557167591 /nfs/dbraw/zinc/16/75/91/557167591.db2.gz HWEZSMRWUWBEBC-UHFFFAOYSA-N 0 0 416.572 5.371 50 0 HKAARN O=C(NCc1cccs1)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000001068227 557167596 /nfs/dbraw/zinc/16/75/96/557167596.db2.gz FBOSFCVXLCJBTL-UHFFFAOYSA-N 0 0 424.323 5.051 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)o1 ZINC000001068231 557167578 /nfs/dbraw/zinc/16/75/78/557167578.db2.gz BVZPFVUBCZQXFU-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN Cc1cc2nc(NC(=O)c3cc(-c4ccncc4)nc4c(C)cccc34)sc2cc1C ZINC000001068253 557167536 /nfs/dbraw/zinc/16/75/36/557167536.db2.gz SFAXXBNSYQODCF-UHFFFAOYSA-N 0 0 424.529 6.084 50 0 HKAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2c1 ZINC000001068265 557167570 /nfs/dbraw/zinc/16/75/70/557167570.db2.gz LMIPCACFOZXYRX-UHFFFAOYSA-N 0 0 407.395 5.876 50 0 HKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000001068272 557167566 /nfs/dbraw/zinc/16/75/66/557167566.db2.gz JPBZHPLPICMTTD-UHFFFAOYSA-N 0 0 403.869 5.601 50 0 HKAARN O=C(Cn1c2ccccc2nc1SCc1ccccc1)Nc1cccc2ccccc21 ZINC000001068279 557167549 /nfs/dbraw/zinc/16/75/49/557167549.db2.gz VIHSUSMNCQFCDZ-UHFFFAOYSA-N 0 0 423.541 6.121 50 0 HKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)cc1 ZINC000001068295 557167614 /nfs/dbraw/zinc/16/76/14/557167614.db2.gz YATNMSUEGTVBNH-SFHVURJKSA-N 0 0 411.505 5.413 50 0 HKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)cc1 ZINC000001068296 557167612 /nfs/dbraw/zinc/16/76/12/557167612.db2.gz YATNMSUEGTVBNH-GOSISDBHSA-N 0 0 411.505 5.413 50 0 HKAARN Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccccc2Cl)nc2c(C)cccc12 ZINC000001068314 557167497 /nfs/dbraw/zinc/16/74/97/557167497.db2.gz PQEPFTJIGAOPLY-UHFFFAOYSA-N 0 0 418.928 5.144 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(C)cc32)cc1Cl ZINC000001068326 557167620 /nfs/dbraw/zinc/16/76/20/557167620.db2.gz RPIIZFROKBIUGY-UHFFFAOYSA-N 0 0 403.869 5.520 50 0 HKAARN CCc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C(C)=O)c3)c2C)cc1 ZINC000001068352 557167508 /nfs/dbraw/zinc/16/75/08/557167508.db2.gz VYIVMLVVMOIUKS-UHFFFAOYSA-N 0 0 408.501 6.228 50 0 HKAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000001068362 568766794 /nfs/dbraw/zinc/76/67/94/568766794.db2.gz MZCNGLNEFROGGZ-LBPRGKRZSA-N 0 0 411.861 5.384 50 0 HKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000001068363 568766920 /nfs/dbraw/zinc/76/69/20/568766920.db2.gz MZCNGLNEFROGGZ-GFCCVEGCSA-N 0 0 411.861 5.384 50 0 HKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c2c1 ZINC000001068367 557167598 /nfs/dbraw/zinc/16/75/98/557167598.db2.gz JQNWPURDFLAMPZ-UHFFFAOYSA-N 0 0 421.456 5.272 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1 ZINC000001068407 557167607 /nfs/dbraw/zinc/16/76/07/557167607.db2.gz PIJQYINBGWXRMC-UHFFFAOYSA-N 0 0 413.477 5.183 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc32)c1 ZINC000001068411 557167554 /nfs/dbraw/zinc/16/75/54/557167554.db2.gz SFVFKJCEQVDXMI-UHFFFAOYSA-N 0 0 416.868 5.161 50 0 HKAARN CCCc1ccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)cc1 ZINC000001068421 557167531 /nfs/dbraw/zinc/16/75/31/557167531.db2.gz ABQVHSRFUSHLQN-UHFFFAOYSA-N 0 0 423.516 6.065 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001068445 557167546 /nfs/dbraw/zinc/16/75/46/557167546.db2.gz ODLNKBRATCHILT-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001068452 560727022 /nfs/dbraw/zinc/72/70/22/560727022.db2.gz FDUNIGDXWSVNDP-UHFFFAOYSA-N 0 0 411.571 5.096 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)ccc1Cl ZINC000001068633 557167941 /nfs/dbraw/zinc/16/79/41/557167941.db2.gz PGNBZNWCWUGWPZ-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN Cc1ccc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000001068639 557167849 /nfs/dbraw/zinc/16/78/49/557167849.db2.gz RKKLFLVKOIQFNF-UHFFFAOYSA-N 0 0 416.546 5.130 50 0 aggregator HKAARN CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000001068688 557167918 /nfs/dbraw/zinc/16/79/18/557167918.db2.gz JCGGQQQNIQPFEB-UHFFFAOYSA-N 0 0 417.534 5.800 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001068689 557167970 /nfs/dbraw/zinc/16/79/70/557167970.db2.gz ABJDNRXYZPDVMX-UHFFFAOYSA-N 0 0 414.914 5.450 50 0 HKAARN COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1NC(=O)C(C)C ZINC000001068691 557167895 /nfs/dbraw/zinc/16/78/95/557167895.db2.gz PFLDRRBTHLKJFQ-UHFFFAOYSA-N 0 0 412.873 5.455 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 ZINC000001068700 557167963 /nfs/dbraw/zinc/16/79/63/557167963.db2.gz IEJYJXLEQUZQJQ-RUZDIDTESA-N 0 0 422.532 6.087 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 ZINC000001068702 557167871 /nfs/dbraw/zinc/16/78/71/557167871.db2.gz IEJYJXLEQUZQJQ-VWLOTQADSA-N 0 0 422.532 6.087 50 0 HKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4cccc(C)c4)ccc3Cl)oc2c1 ZINC000001068721 557167891 /nfs/dbraw/zinc/16/78/91/557167891.db2.gz ZSFOYWKSUDLPSP-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c3ccccc3nc2N1 ZINC000001068727 557167828 /nfs/dbraw/zinc/16/78/28/557167828.db2.gz QMEZZXYJEPZUTG-JOCHJYFZSA-N 0 0 414.896 5.617 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c3ccccc3nc2N1 ZINC000001068731 557167948 /nfs/dbraw/zinc/16/79/48/557167948.db2.gz QMEZZXYJEPZUTG-QFIPXVFZSA-N 0 0 414.896 5.617 50 0 HKAARN O=C(COc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000001068754 557167924 /nfs/dbraw/zinc/16/79/24/557167924.db2.gz VESIZXNNMPAPEL-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(=S)n(-c3ccccc3)c(=O)c12 ZINC000001068769 557167930 /nfs/dbraw/zinc/16/79/30/557167930.db2.gz IXFICOWPQHHWAI-UHFFFAOYSA-N 0 0 421.547 5.287 50 0 HKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000001068788 557167900 /nfs/dbraw/zinc/16/79/00/557167900.db2.gz AALMMNDDXGUDQG-UHFFFAOYSA-N 0 0 409.555 5.786 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1Br ZINC000001068802 557167945 /nfs/dbraw/zinc/16/79/45/557167945.db2.gz REBUTSGXBCEMEU-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000001068969 557168097 /nfs/dbraw/zinc/16/80/97/557168097.db2.gz UDKKNNBHMFXFCL-UHFFFAOYSA-N 0 0 419.893 6.319 50 0 HKAARN COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(F)c1F ZINC000001069002 557168133 /nfs/dbraw/zinc/16/81/33/557168133.db2.gz UNRIXXUZYSANOX-UHFFFAOYSA-N 0 0 416.330 5.312 50 0 HKAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001069059 557168128 /nfs/dbraw/zinc/16/81/28/557168128.db2.gz DEVAFGDMNCXGFP-UHFFFAOYSA-N 0 0 410.223 5.068 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Br)o1 ZINC000001069136 557168120 /nfs/dbraw/zinc/16/81/20/557168120.db2.gz QBBCCSXSRTWQAW-UHFFFAOYSA-N 0 0 413.296 5.880 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c(C)c1Cl ZINC000001069212 568766896 /nfs/dbraw/zinc/76/68/96/568766896.db2.gz OFGQFZCHSWJFPP-UHFFFAOYSA-N 0 0 407.823 5.473 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1Cl ZINC000001069214 568766888 /nfs/dbraw/zinc/76/68/88/568766888.db2.gz MHRVFFYMNOABCV-UHFFFAOYSA-N 0 0 407.823 5.473 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3ccc(C)cc3OC(F)F)c2)c(C)c1Cl ZINC000001069216 568766922 /nfs/dbraw/zinc/76/69/22/568766922.db2.gz UVAVNDCCQPFZLC-UHFFFAOYSA-N 0 0 419.859 5.364 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3ccc(OC(F)F)cc3C)c2)c(C)c1Cl ZINC000001069222 568766796 /nfs/dbraw/zinc/76/67/96/568766796.db2.gz SWHPJPFTDHUMLX-UHFFFAOYSA-N 0 0 419.859 5.364 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c(C)c1Cl ZINC000001069225 568766810 /nfs/dbraw/zinc/76/68/10/568766810.db2.gz KSPQRGFPQZQJSW-UHFFFAOYSA-N 0 0 423.822 5.353 50 0 HKAARN Cc1nn(Cc2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)c(C)c1Cl ZINC000001069230 568766843 /nfs/dbraw/zinc/76/68/43/568766843.db2.gz KTJSRZDSTYEYTI-UHFFFAOYSA-N 0 0 405.832 5.055 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000001069246 557168427 /nfs/dbraw/zinc/16/84/27/557168427.db2.gz YARXNGQWARYWSJ-UHFFFAOYSA-N 0 0 413.473 5.601 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1Cl ZINC000001069253 560727062 /nfs/dbraw/zinc/72/70/62/560727062.db2.gz DJIPOUQMELNIMA-UHFFFAOYSA-N 0 0 420.690 5.525 50 0 HKAARN Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ncccc2o1 ZINC000001069265 557168494 /nfs/dbraw/zinc/16/84/94/557168494.db2.gz AVRQXNFHRFUFIE-UHFFFAOYSA-N 0 0 413.864 6.257 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000001069329 557168461 /nfs/dbraw/zinc/16/84/61/557168461.db2.gz DHIDNDBWMNMUKU-UHFFFAOYSA-N 0 0 409.494 5.670 50 0 HKAARN CSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)n1 ZINC000001069370 557168386 /nfs/dbraw/zinc/16/83/86/557168386.db2.gz DKYVXMRNTVOOJF-UHFFFAOYSA-N 0 0 423.881 5.081 50 0 HKAARN COc1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2ccccc2c1Br ZINC000001069554 560727058 /nfs/dbraw/zinc/72/70/58/560727058.db2.gz COONCJHCPGPXBQ-UHFFFAOYSA-N 0 0 408.654 5.656 50 0 HKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001069752 557168746 /nfs/dbraw/zinc/16/87/46/557168746.db2.gz DFQFMDQDMVHCRM-UHFFFAOYSA-N 0 0 420.921 5.988 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000001069756 557168748 /nfs/dbraw/zinc/16/87/48/557168748.db2.gz SMPUUDGODRMUNE-UHFFFAOYSA-N 0 0 406.873 5.113 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Br)c1 ZINC000001069779 557168782 /nfs/dbraw/zinc/16/87/82/557168782.db2.gz RMAKNHCZHUBWCE-UHFFFAOYSA-N 0 0 413.237 5.320 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000001069793 560727054 /nfs/dbraw/zinc/72/70/54/560727054.db2.gz OULREAVGOFUQGE-UHFFFAOYSA-N 0 0 411.752 5.353 50 0 HKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc2ccccc21 ZINC000001069867 560727052 /nfs/dbraw/zinc/72/70/52/560727052.db2.gz RWUQZSICSGNBJR-UHFFFAOYSA-N 0 0 406.279 6.016 50 0 HKAARN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1Cl ZINC000001070029 557168784 /nfs/dbraw/zinc/16/87/84/557168784.db2.gz ZTAIYBWYRYJTEZ-UHFFFAOYSA-N 0 0 416.688 5.052 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4Cl)c3C)oc2c(C)c1 ZINC000001070037 557168751 /nfs/dbraw/zinc/16/87/51/557168751.db2.gz KNJVSTPFXCNKSV-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000001070044 557168728 /nfs/dbraw/zinc/16/87/28/557168728.db2.gz WYQMPIJBFWMFSF-UHFFFAOYSA-N 0 0 412.873 5.290 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001070238 557168991 /nfs/dbraw/zinc/16/89/91/557168991.db2.gz XHQCOWMAXMCJIQ-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001070254 557169031 /nfs/dbraw/zinc/16/90/31/557169031.db2.gz SRNGPJYKWJSGOO-UHFFFAOYSA-N 0 0 416.521 5.806 50 0 HKAARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000001070290 560727013 /nfs/dbraw/zinc/72/70/13/560727013.db2.gz VFCNURAFYJRNDF-UHFFFAOYSA-N 0 0 414.889 5.185 50 0 HKAARN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1cccs1 ZINC000001070342 557169092 /nfs/dbraw/zinc/16/90/92/557169092.db2.gz NAXZMPFJPZRMCY-UHFFFAOYSA-N 0 0 421.305 5.568 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000001070355 557169056 /nfs/dbraw/zinc/16/90/56/557169056.db2.gz WAJXYUSQSAVVQK-UHFFFAOYSA-N 0 0 409.313 5.528 50 0 HKAARN Cc1ccc(C)c(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 ZINC000001070423 557169072 /nfs/dbraw/zinc/16/90/72/557169072.db2.gz PIOUVIZWBIPZNB-UHFFFAOYSA-N 0 0 419.525 5.094 50 0 HKAARN COc1cc(C(=O)Nc2cccnc2)ccc1OCc1c(Cl)cccc1Cl ZINC000001070547 568765419 /nfs/dbraw/zinc/76/54/19/568765419.db2.gz ZIDLYENKIGUDJF-UHFFFAOYSA-N 0 0 403.265 5.228 50 0 HKAARN CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001070581 557169087 /nfs/dbraw/zinc/16/90/87/557169087.db2.gz IHYBTHIHARXBSJ-UHFFFAOYSA-N 0 0 408.310 5.271 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001070699 557169403 /nfs/dbraw/zinc/16/94/03/557169403.db2.gz WRQMZVWRATWLIH-UHFFFAOYSA-N 0 0 408.910 5.557 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000001070744 557169382 /nfs/dbraw/zinc/16/93/82/557169382.db2.gz GMWMYSTWUPKBKN-UHFFFAOYSA-N 0 0 407.695 5.895 50 0 HKAARN O=C(Nc1ccccc1OC(F)F)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001070772 560727121 /nfs/dbraw/zinc/72/71/21/560727121.db2.gz KBQHRHALECKKQR-UHFFFAOYSA-N 0 0 408.198 5.563 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000001070808 557169369 /nfs/dbraw/zinc/16/93/69/557169369.db2.gz PGHOQMYCGZFDEA-UHFFFAOYSA-N 0 0 414.892 6.306 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)cc1OC ZINC000001070829 557169315 /nfs/dbraw/zinc/16/93/15/557169315.db2.gz SXSFAWNDZWNMLB-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000001070854 557169469 /nfs/dbraw/zinc/16/94/69/557169469.db2.gz ZODRMDWSPUVKTD-UHFFFAOYSA-N 0 0 415.704 5.646 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000001070888 527033366 /nfs/dbraw/zinc/03/33/66/527033366.db2.gz ANWXOKAWFBVIHM-UHFFFAOYSA-N 0 0 410.926 5.252 50 0 HKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)o1 ZINC000001070947 557169396 /nfs/dbraw/zinc/16/93/96/557169396.db2.gz 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Cc1occc1-c1nnc(SCC(=O)c2c(C)cc(C)cc2C)n1-c1ccccc1 ZINC000001076251 557173127 /nfs/dbraw/zinc/17/31/27/557173127.db2.gz CEIOENLUAAQQFD-UHFFFAOYSA-N 0 0 417.534 5.736 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2C(C)=O)cc1 ZINC000001076425 557173093 /nfs/dbraw/zinc/17/30/93/557173093.db2.gz WJIXKUPLKPVOTJ-DEOSSOPVSA-N 0 0 404.897 5.967 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2C(C)=O)cc1 ZINC000001076427 557173176 /nfs/dbraw/zinc/17/31/76/557173176.db2.gz WJIXKUPLKPVOTJ-XMMPIXPASA-N 0 0 404.897 5.967 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001076454 557173096 /nfs/dbraw/zinc/17/30/96/557173096.db2.gz RCEHLXNXKXJPLP-UHFFFAOYSA-N 0 0 422.550 5.227 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000001076815 557173792 /nfs/dbraw/zinc/17/37/92/557173792.db2.gz TWDLWCSVRQFQEV-NSHDSACASA-N 0 0 423.922 5.029 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000001076817 557173797 /nfs/dbraw/zinc/17/37/97/557173797.db2.gz TWDLWCSVRQFQEV-LLVKDONJSA-N 0 0 423.922 5.029 50 0 HKAARN c1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000001076993 557173784 /nfs/dbraw/zinc/17/37/84/557173784.db2.gz AXFNVKSNEFIBOM-UHFFFAOYSA-N 0 0 413.506 5.015 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 ZINC000001077032 557173749 /nfs/dbraw/zinc/17/37/49/557173749.db2.gz KLKPQPXOHXOZET-QGZVFWFLSA-N 0 0 408.571 5.518 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 ZINC000001077034 557173755 /nfs/dbraw/zinc/17/37/55/557173755.db2.gz KLKPQPXOHXOZET-KRWDZBQOSA-N 0 0 408.571 5.518 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000001077035 557173799 /nfs/dbraw/zinc/17/37/99/557173799.db2.gz HWTBSROOUWELQN-UHFFFAOYSA-N 0 0 420.460 5.023 50 0 HKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2Cc2ccco2)c1 ZINC000001077043 557173735 /nfs/dbraw/zinc/17/37/35/557173735.db2.gz LHEBBASOAYNDHS-UHFFFAOYSA-N 0 0 407.470 5.009 50 0 HKAARN S=c1nc(-c2ccc(Br)cc2)n(C[C@H]2CCCO2)c2c1CCCC2 ZINC000001077152 557174138 /nfs/dbraw/zinc/17/41/38/557174138.db2.gz HPKIKPRIGGYGGF-OAHLLOKOSA-N 0 0 405.361 5.100 50 0 HKAARN S=c1nc(-c2ccc(Br)cc2)n(C[C@@H]2CCCO2)c2c1CCCC2 ZINC000001077154 557174075 /nfs/dbraw/zinc/17/40/75/557174075.db2.gz HPKIKPRIGGYGGF-HNNXBMFYSA-N 0 0 405.361 5.100 50 0 HKAARN Cc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000001077170 557174048 /nfs/dbraw/zinc/17/40/48/557174048.db2.gz YZONQLMKBTUVAP-LJQANCHMSA-N 0 0 423.310 5.650 50 0 HKAARN Cc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000001077171 557174056 /nfs/dbraw/zinc/17/40/56/557174056.db2.gz YZONQLMKBTUVAP-IBGZPJMESA-N 0 0 423.310 5.650 50 0 HKAARN CS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000001077297 557174092 /nfs/dbraw/zinc/17/40/92/557174092.db2.gz XSVSUCYXHMMJQF-UHFFFAOYSA-N 0 0 408.910 5.594 50 0 HKAARN O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000001077399 557174107 /nfs/dbraw/zinc/17/41/07/557174107.db2.gz QFNGIENNFVCCOK-UHFFFAOYSA-N 0 0 416.304 5.195 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 ZINC000001077428 557174100 /nfs/dbraw/zinc/17/41/00/557174100.db2.gz HUJVBCPDGKNVLA-UHFFFAOYSA-N 0 0 420.563 5.424 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000001077568 557174366 /nfs/dbraw/zinc/17/43/66/557174366.db2.gz WRIXRUWGDVELNI-FQEVSTJZSA-N 0 0 405.812 5.335 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000001077570 557174379 /nfs/dbraw/zinc/17/43/79/557174379.db2.gz WRIXRUWGDVELNI-HXUWFJFHSA-N 0 0 405.812 5.335 50 0 HKAARN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000001077697 557174403 /nfs/dbraw/zinc/17/44/03/557174403.db2.gz QIOGVTFYKPCLFE-UHFFFAOYSA-N 0 0 401.413 5.466 50 0 aggregator HKAARN COc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)C(C)C ZINC000001077699 560727091 /nfs/dbraw/zinc/72/70/91/560727091.db2.gz QQXPWOCURMYHPJ-UHFFFAOYSA-N 0 0 418.493 5.121 50 0 HKAARN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000001078118 569277197 /nfs/dbraw/zinc/27/71/97/569277197.db2.gz VOLJRJQQNADWAO-UHFFFAOYSA-N 0 0 422.500 5.471 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000001078136 568767250 /nfs/dbraw/zinc/76/72/50/568767250.db2.gz MHRGWUKHDVZYLM-UHFFFAOYSA-N 0 0 409.363 5.935 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(F)cc1 ZINC000001078179 569277223 /nfs/dbraw/zinc/27/72/23/569277223.db2.gz GJWRJACVPPGLJS-UHFFFAOYSA-N 0 0 403.482 5.614 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2nnc(SCc3ccccc3C)s2)c(C)c1 ZINC000001078192 557174663 /nfs/dbraw/zinc/17/46/63/557174663.db2.gz KCMHJMOZIUMYJL-UHFFFAOYSA-N 0 0 413.568 5.082 50 0 HKAARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)o1 ZINC000001078326 557174675 /nfs/dbraw/zinc/17/46/75/557174675.db2.gz PSWSSZPBBIFOOI-QHCPKHFHSA-N 0 0 412.493 5.482 50 0 HKAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)o1 ZINC000001078329 557174578 /nfs/dbraw/zinc/17/45/78/557174578.db2.gz PSWSSZPBBIFOOI-HSZRJFAPSA-N 0 0 412.493 5.482 50 0 HKAARN CCCn1c2ccccc2c2nnc(SCCC(=O)Nc3ccc(C)c(C)c3)nc21 ZINC000001078474 568767227 /nfs/dbraw/zinc/76/72/27/568767227.db2.gz GWCABIKMCPSKAB-UHFFFAOYSA-N 0 0 419.554 5.127 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Br ZINC000001078650 536779107 /nfs/dbraw/zinc/77/91/07/536779107.db2.gz DYVTTWIFKUVQKA-UHFFFAOYSA-N 0 0 423.738 5.354 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000001078665 557174979 /nfs/dbraw/zinc/17/49/79/557174979.db2.gz YGPXZMFPCDNQBN-UHFFFAOYSA-N 0 0 416.502 5.201 50 0 HKAARN Cc1ccc(NC(=O)COc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 ZINC000001078756 557174961 /nfs/dbraw/zinc/17/49/61/557174961.db2.gz SVYVIXDBNWIGHC-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN Cc1cccc(CSc2nnc(NC(=O)c3ccc(Br)cc3)s2)c1 ZINC000001078863 557175034 /nfs/dbraw/zinc/17/50/34/557175034.db2.gz TZHCBUWOUYAYSJ-UHFFFAOYSA-N 0 0 420.357 5.154 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccc1Cl ZINC000001078901 569277245 /nfs/dbraw/zinc/27/72/45/569277245.db2.gz DTBOKKTZGKNASD-UHFFFAOYSA-N 0 0 419.937 6.128 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000001078949 557174907 /nfs/dbraw/zinc/17/49/07/557174907.db2.gz MKBIFMVHVBRTJE-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN Cc1ccc(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000001079001 132236692 /nfs/dbraw/zinc/23/66/92/132236692.db2.gz NKVGVZCQMJPYNE-UHFFFAOYSA-N 0 0 420.553 5.389 50 0 HKAARN Cc1ccccc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000001079256 557175293 /nfs/dbraw/zinc/17/52/93/557175293.db2.gz ZGXGOJUBERPGIM-UHFFFAOYSA-N 0 0 410.848 5.967 50 0 HKAARN CSc1c2ccccc2n(C)c1CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001079348 568767277 /nfs/dbraw/zinc/76/72/77/568767277.db2.gz JQNXQYXZJWEKIL-UHFFFAOYSA-N 0 0 410.873 5.249 50 0 HKAARN COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)c(Cl)c3)n2)cc1Cl ZINC000001079372 568767280 /nfs/dbraw/zinc/76/72/80/568767280.db2.gz ARYRWGCJHFZYEP-UHFFFAOYSA-N 0 0 409.248 5.427 50 0 HKAARN COCc1cc(C)nc2sc(C(=O)Oc3ccc(Cl)cc3)c(-n3cccc3)c21 ZINC000001079421 568767278 /nfs/dbraw/zinc/76/72/78/568767278.db2.gz ACACHQVWMZDAOZ-UHFFFAOYSA-N 0 0 412.898 5.414 50 0 HKAARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cc2ccccc2o1 ZINC000001079567 569277219 /nfs/dbraw/zinc/27/72/19/569277219.db2.gz VZEAAMXDDLCMEX-UHFFFAOYSA-N 0 0 413.930 5.203 50 0 HKAARN CC(=O)c1cnc2c(-c3ccccc3)c(-c3cccc(Br)c3)nn2c1C ZINC000001079640 568767511 /nfs/dbraw/zinc/76/75/11/568767511.db2.gz ADMSWGFDIHMNTQ-UHFFFAOYSA-N 0 0 406.283 5.337 50 0 HKAARN Cc1nnc(SCc2ccc(C(=O)c3ccc(Cl)cc3)o2)n1-c1ccccc1 ZINC000001080706 557175333 /nfs/dbraw/zinc/17/53/33/557175333.db2.gz PMUFZQFGXVQWPX-UHFFFAOYSA-N 0 0 409.898 5.345 50 0 HKAARN COc1ccc(N2C(=O)C3(CCCCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001080888 568767831 /nfs/dbraw/zinc/76/78/31/568767831.db2.gz VODLVJGUGNGADJ-IBGZPJMESA-N 0 0 400.316 5.496 50 0 biogenic HKAARN COc1ccc(N2C(=O)C3(CCCCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001080889 568767807 /nfs/dbraw/zinc/76/78/07/568767807.db2.gz VODLVJGUGNGADJ-LJQANCHMSA-N 0 0 400.316 5.496 50 0 biogenic HKAARN COc1ccc(-c2c(C)c3cc(Br)cc(Cl)c3oc2=O)cc1OC ZINC000001080954 557175288 /nfs/dbraw/zinc/17/52/88/557175288.db2.gz PCMQBGJNSIDSDR-UHFFFAOYSA-N 0 0 409.663 5.202 50 0 HKAARN O=c1cc(-c2ccc(Cl)cc2)oc2c(Br)cc(Br)cc12 ZINC000001080967 560555796 /nfs/dbraw/zinc/55/57/96/560555796.db2.gz VUVSGSUJUMSUHV-UHFFFAOYSA-N 0 0 414.480 5.638 50 0 biogenic,in-vitro HKAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccc(C)c2)CCCC3)cc1 ZINC000001080989 568767904 /nfs/dbraw/zinc/76/79/04/568767904.db2.gz GEFCSBCIYGTQOX-UHFFFAOYSA-N 0 0 404.535 5.748 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@H](C)C3)cc1 ZINC000001080993 557175396 /nfs/dbraw/zinc/17/53/96/557175396.db2.gz SJYJQIHAIBWKNY-HNNXBMFYSA-N 0 0 405.523 5.081 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@@H](C)C3)cc1 ZINC000001080994 557175299 /nfs/dbraw/zinc/17/52/99/557175299.db2.gz SJYJQIHAIBWKNY-OAHLLOKOSA-N 0 0 405.523 5.081 50 0 HKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000001081032 557175643 /nfs/dbraw/zinc/17/56/43/557175643.db2.gz QNUWKHSMRKHVTB-UHFFFAOYSA-N 0 0 410.926 5.324 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCC3)cc1 ZINC000001081033 557175603 /nfs/dbraw/zinc/17/56/03/557175603.db2.gz ZBIBGWSENKXLNN-UHFFFAOYSA-N 0 0 406.507 5.140 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCC3)c1 ZINC000001081034 557175664 /nfs/dbraw/zinc/17/56/64/557175664.db2.gz IIUSTWOSMYJZOG-UHFFFAOYSA-N 0 0 410.926 5.703 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000001081035 557175639 /nfs/dbraw/zinc/17/56/39/557175639.db2.gz CQBJHWQYSISGTL-UHFFFAOYSA-N 0 0 410.926 5.703 50 0 HKAARN Cc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 ZINC000001081046 568767851 /nfs/dbraw/zinc/76/78/51/568767851.db2.gz VLNLDWHPMDPDAK-UHFFFAOYSA-N 0 0 404.535 5.369 50 0 HKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1ccco1 ZINC000001081047 557175678 /nfs/dbraw/zinc/17/56/78/557175678.db2.gz GZLUFWGOJJURPT-UHFFFAOYSA-N 0 0 400.887 5.378 50 0 HKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@H](C)C2 ZINC000001081622 568768029 /nfs/dbraw/zinc/76/80/29/568768029.db2.gz JQTJJHAYWQYBLW-NSHDSACASA-N 0 0 421.360 5.236 50 0 HKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@@H](C)C2 ZINC000001081623 568768043 /nfs/dbraw/zinc/76/80/43/568768043.db2.gz JQTJJHAYWQYBLW-LLVKDONJSA-N 0 0 421.360 5.236 50 0 HKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@@H](C)CC2 ZINC000001081632 557175568 /nfs/dbraw/zinc/17/55/68/557175568.db2.gz QNVSIDXJERXLEK-HNNXBMFYSA-N 0 0 404.535 5.686 50 0 HKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@H](C)CC2 ZINC000001081633 557175607 /nfs/dbraw/zinc/17/56/07/557175607.db2.gz QNVSIDXJERXLEK-OAHLLOKOSA-N 0 0 404.535 5.686 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc21)c1ccccc1Cl ZINC000001081640 568768052 /nfs/dbraw/zinc/76/80/52/568768052.db2.gz JQNBKGHOIKOUBR-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN COc1ccc(-n2c(=O)c3ccccc3nc2[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000001081665 557175755 /nfs/dbraw/zinc/17/57/55/557175755.db2.gz ZQFROZPSGLCLOR-HNNXBMFYSA-N 0 0 406.869 5.188 50 0 HKAARN COc1ccc(-n2c(=O)c3ccccc3nc2[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000001081666 557175582 /nfs/dbraw/zinc/17/55/82/557175582.db2.gz ZQFROZPSGLCLOR-OAHLLOKOSA-N 0 0 406.869 5.188 50 0 HKAARN O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000001081681 568768024 /nfs/dbraw/zinc/76/80/24/568768024.db2.gz DONFYSLXKGBNQK-UHFFFAOYSA-N 0 0 416.852 5.424 50 0 HKAARN O=C1c2ccc(-c3ccccc3)cc2C(=O)N1C1c2ccccc2Oc2ccccc21 ZINC000001082474 557175633 /nfs/dbraw/zinc/17/56/33/557175633.db2.gz RGYIXAADILHVPI-UHFFFAOYSA-N 0 0 403.437 5.845 50 0 HKAARN O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc(Br)c3ccccc3c2N1 ZINC000001082712 557175948 /nfs/dbraw/zinc/17/59/48/557175948.db2.gz XKLSFQCRXTZIGG-ZDUSSCGKSA-N 0 0 421.121 6.383 50 0 HKAARN O=C1C[C@H](c2cccc(Cl)c2Cl)c2cc(Br)c3ccccc3c2N1 ZINC000001082713 557175971 /nfs/dbraw/zinc/17/59/71/557175971.db2.gz XKLSFQCRXTZIGG-CYBMUJFWSA-N 0 0 421.121 6.383 50 0 HKAARN COc1ccc(-c2nc3sc(-c4ccc(OC)c(OC)c4)nc3s2)cc1OC ZINC000001082924 557175955 /nfs/dbraw/zinc/17/59/55/557175955.db2.gz PUQOJMXGZPJJFK-UHFFFAOYSA-N 0 0 414.508 5.121 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c(Br)c1 ZINC000001083192 557175993 /nfs/dbraw/zinc/17/59/93/557175993.db2.gz YLJXWRYCZFEGRP-UHFFFAOYSA-N 0 0 419.369 5.612 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000001083383 568768097 /nfs/dbraw/zinc/76/80/97/568768097.db2.gz KUYYOVMLSAJDDY-UHFFFAOYSA-N 0 0 402.277 5.906 50 0 HKAARN CCc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000001083388 557176027 /nfs/dbraw/zinc/17/60/27/557176027.db2.gz RUSSCPZMUSAYML-UHFFFAOYSA-N 0 0 404.491 5.797 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000001083438 557175925 /nfs/dbraw/zinc/17/59/25/557175925.db2.gz WIYOVWSPHDWJLS-UHFFFAOYSA-N 0 0 406.221 5.146 50 0 HKAARN CN(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 ZINC000001083439 568768104 /nfs/dbraw/zinc/76/81/04/568768104.db2.gz VXHBXKYZZDJSBV-UHFFFAOYSA-N 0 0 405.281 5.484 50 0 HKAARN O=C(c1ccc(COc2cc(Cl)ccc2Cl)o1)N1CCc2ccccc2C1 ZINC000001083476 557175979 /nfs/dbraw/zinc/17/59/79/557175979.db2.gz WBCZRHMCKHLJBR-UHFFFAOYSA-N 0 0 402.277 5.364 50 0 HKAARN COc1ccccc1CCNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000001083478 568768012 /nfs/dbraw/zinc/76/80/12/568768012.db2.gz CAWWLELBWJAMNM-UHFFFAOYSA-N 0 0 420.292 5.147 50 0 HKAARN CCCc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3F)o2)c(OC)c1 ZINC000001083488 557176184 /nfs/dbraw/zinc/17/61/84/557176184.db2.gz GXHAQZWGHIKYEG-UHFFFAOYSA-N 0 0 401.409 5.350 50 0 HKAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000001084412 132236856 /nfs/dbraw/zinc/23/68/56/132236856.db2.gz HRKYDGXSXXZZRF-UHFFFAOYSA-N 0 0 409.313 5.310 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000001084424 557176333 /nfs/dbraw/zinc/17/63/33/557176333.db2.gz XKVDGTDAVBZGAQ-UHFFFAOYSA-N 0 0 402.837 6.455 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 ZINC000001084482 557176341 /nfs/dbraw/zinc/17/63/41/557176341.db2.gz SYNCNTGYXYXTRP-UHFFFAOYSA-N 0 0 402.675 6.147 50 0 HKAARN COc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC ZINC000001084495 557176191 /nfs/dbraw/zinc/17/61/91/557176191.db2.gz ZZXWTXRSGBDHHY-UHFFFAOYSA-N 0 0 415.555 5.531 50 0 HKAARN COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1 ZINC000001084790 557176347 /nfs/dbraw/zinc/17/63/47/557176347.db2.gz HJHZSYYRGZPSMO-UHFFFAOYSA-N 0 0 402.519 5.519 50 0 aggregator HKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001084886 568768022 /nfs/dbraw/zinc/76/80/22/568768022.db2.gz FAJCOHUBOBDGOW-UHFFFAOYSA-N 0 0 419.453 5.878 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085196 557176288 /nfs/dbraw/zinc/17/62/88/557176288.db2.gz NAQDNMJCCHBQLE-QWHCGFSZSA-N 0 0 423.123 5.290 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085197 557176245 /nfs/dbraw/zinc/17/62/45/557176245.db2.gz NAQDNMJCCHBQLE-CHWSQXEVSA-N 0 0 423.123 5.290 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085198 557176218 /nfs/dbraw/zinc/17/62/18/557176218.db2.gz NAQDNMJCCHBQLE-STQMWFEESA-N 0 0 423.123 5.290 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085199 557176241 /nfs/dbraw/zinc/17/62/41/557176241.db2.gz NAQDNMJCCHBQLE-OLZOCXBDSA-N 0 0 423.123 5.290 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000001085278 568768045 /nfs/dbraw/zinc/76/80/45/568768045.db2.gz SAXSFWFVRXVFKF-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001085346 557176235 /nfs/dbraw/zinc/17/62/35/557176235.db2.gz YUOKWKZPAQTODH-UHFFFAOYSA-N 0 0 419.484 5.969 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000001085361 560180380 /nfs/dbraw/zinc/18/03/80/560180380.db2.gz ATIWXSVSVPMBDZ-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 biogenic,in-vitro HKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000001085677 557176560 /nfs/dbraw/zinc/17/65/60/557176560.db2.gz GCMHBHBSRRNKRX-UHFFFAOYSA-N 0 0 412.493 5.467 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 ZINC000001085683 557176646 /nfs/dbraw/zinc/17/66/46/557176646.db2.gz ISLCHHOEYPTAHZ-UHFFFAOYSA-N 0 0 400.478 5.155 50 0 HKAARN O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1 ZINC000001085700 557176610 /nfs/dbraw/zinc/17/66/10/557176610.db2.gz QMPHURHKCNBQAI-UHFFFAOYSA-N 0 0 417.468 5.713 50 0 HKAARN O=[P@@](Cc1ccccc1)(c1ccccc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000001085822 568768032 /nfs/dbraw/zinc/76/80/32/568768032.db2.gz NMXUPUYCUFRXLZ-IDISGSTGSA-N 0 0 411.507 5.533 50 0 HKAARN Cc1ccccc1Oc1cc(NC(=O)c2ccncc2)cc(Oc2ccccc2C)c1 ZINC000001086307 568768007 /nfs/dbraw/zinc/76/80/07/568768007.db2.gz QUIATWLPVLRMQR-UHFFFAOYSA-N 0 0 410.473 6.535 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1ccccc1NC(=O)c1ccccc1F ZINC000001086611 557176651 /nfs/dbraw/zinc/17/66/51/557176651.db2.gz VPYIGNOZTFYSLI-UHFFFAOYSA-N 0 0 413.246 5.093 50 0 HKAARN O=C(COc1ccc2ccccc2c1Br)Nc1cccc2ccccc21 ZINC000001087133 557176636 /nfs/dbraw/zinc/17/66/36/557176636.db2.gz WKGPTGYZUWOFAJ-UHFFFAOYSA-N 0 0 406.279 5.773 50 0 HKAARN CCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCC)cc3)nc2)cc1 ZINC000001087927 557176890 /nfs/dbraw/zinc/17/68/90/557176890.db2.gz UUWOWMPOWPCWAV-UHFFFAOYSA-N 0 0 402.498 5.288 50 0 HKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000001088021 568768293 /nfs/dbraw/zinc/76/82/93/568768293.db2.gz WFTMLXVFPODKAG-UHFFFAOYSA-N 0 0 406.360 5.527 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cccnc2)cc1 ZINC000001088277 569282362 /nfs/dbraw/zinc/28/23/62/569282362.db2.gz BXMNXQOGITXUQQ-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2cccnc2)cc1 ZINC000001088278 569282366 /nfs/dbraw/zinc/28/23/66/569282366.db2.gz CPKZKKWAMCLGFI-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCOc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccnc2)cc1 ZINC000001088283 557176818 /nfs/dbraw/zinc/17/68/18/557176818.db2.gz SQCPBGUMILOKJI-UHFFFAOYSA-N 0 0 416.550 5.637 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000001088425 568768966 /nfs/dbraw/zinc/76/89/66/568768966.db2.gz DTKSKWLINQGWDL-UHFFFAOYSA-N 0 0 413.832 5.097 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1C ZINC000001088474 557176898 /nfs/dbraw/zinc/17/68/98/557176898.db2.gz REVPGOLHMOVLAR-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001088478 557176920 /nfs/dbraw/zinc/17/69/20/557176920.db2.gz PAUCABYHOFRNHE-UHFFFAOYSA-N 0 0 412.873 6.018 50 0 HKAARN CC(C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(c1ccccc1)c1ccccc1 ZINC000001088482 557177203 /nfs/dbraw/zinc/17/72/03/557177203.db2.gz KVSZDFKQQKMTLJ-UHFFFAOYSA-N 0 0 410.473 5.477 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1cccs1 ZINC000001088483 568768953 /nfs/dbraw/zinc/76/89/53/568768953.db2.gz IUJCKKYFKILVTD-UHFFFAOYSA-N 0 0 401.285 5.015 50 0 HKAARN O=C(CSc1ccc(Nc2ccc(Cl)cc2)nn1)Nc1ccc(Cl)cc1 ZINC000001088515 557177264 /nfs/dbraw/zinc/17/72/64/557177264.db2.gz QDDPWYACNMDZIM-UHFFFAOYSA-N 0 0 405.310 5.258 50 0 HKAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1OC ZINC000001088599 557177312 /nfs/dbraw/zinc/17/73/12/557177312.db2.gz ZSYBGTBHBSIKJC-KRWDZBQOSA-N 0 0 412.489 5.410 50 0 HKAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1OC ZINC000001088600 557177282 /nfs/dbraw/zinc/17/72/82/557177282.db2.gz ZSYBGTBHBSIKJC-QGZVFWFLSA-N 0 0 412.489 5.410 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(OC)c2)cc1 ZINC000001088881 557177317 /nfs/dbraw/zinc/17/73/17/557177317.db2.gz QAOUGOCKNVKLBW-UHFFFAOYSA-N 0 0 418.518 5.085 50 0 HKAARN CCOc1ccc(CCNC(=O)N(c2ccccc2)c2ccccc2)cc1OCC ZINC000001089615 568769113 /nfs/dbraw/zinc/76/91/13/568769113.db2.gz JVIJRAZKNXQSLF-UHFFFAOYSA-N 0 0 404.510 5.574 50 0 HKAARN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000001092930 557177519 /nfs/dbraw/zinc/17/75/19/557177519.db2.gz PYMBWKNHRBFASX-UHFFFAOYSA-N 0 0 421.547 5.807 50 0 HKAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000001093344 568769287 /nfs/dbraw/zinc/76/92/87/568769287.db2.gz WPNASGWTMLMMFV-UHFFFAOYSA-N 0 0 400.265 5.890 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSCC(=O)n1c2ccccc2c2c1CCCC2 ZINC000001093850 557177819 /nfs/dbraw/zinc/17/78/19/557177819.db2.gz BEAJEONSCRBXFP-UHFFFAOYSA-N 0 0 406.551 5.149 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000001093964 568769255 /nfs/dbraw/zinc/76/92/55/568769255.db2.gz MOWVDUNHRSJASG-DEOSSOPVSA-N 0 0 418.443 5.243 50 0 biogenic HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000001093965 568769254 /nfs/dbraw/zinc/76/92/54/568769254.db2.gz MOWVDUNHRSJASG-XMMPIXPASA-N 0 0 418.443 5.243 50 0 biogenic HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000001093966 560565725 /nfs/dbraw/zinc/56/57/25/560565725.db2.gz HHCFKZYOFFNXDF-DEOSSOPVSA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000001093967 560565696 /nfs/dbraw/zinc/56/56/96/560565696.db2.gz HHCFKZYOFFNXDF-XMMPIXPASA-N 0 0 418.443 5.243 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccs1 ZINC000001094360 557177861 /nfs/dbraw/zinc/17/78/61/557177861.db2.gz BTEHVDVDBLREBJ-UHFFFAOYSA-N 0 0 404.878 6.615 50 0 HKAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000001094504 557177756 /nfs/dbraw/zinc/17/77/56/557177756.db2.gz YFSLUQNDCINOQG-UHFFFAOYSA-N 0 0 411.292 5.217 50 0 HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(F)cc3)c2)cc1 ZINC000001094565 569060276 /nfs/dbraw/zinc/06/02/76/569060276.db2.gz QMUJKOXVDMHENR-UHFFFAOYSA-N 0 0 418.420 5.444 50 0 biogenic HKAARN O=C(c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21)N1CCOCC1 ZINC000001094585 557177893 /nfs/dbraw/zinc/17/78/93/557177893.db2.gz FGILJTIWBAWZHS-UHFFFAOYSA-N 0 0 400.522 5.422 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001094695 557177833 /nfs/dbraw/zinc/17/78/33/557177833.db2.gz JEORMODGFQINQQ-VQHVLOKHSA-N 0 0 417.317 5.959 50 0 HKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1Cl ZINC000001094699 568769313 /nfs/dbraw/zinc/76/93/13/568769313.db2.gz UUFSFHACINTMRJ-DHZHZOJOSA-N 0 0 418.884 5.043 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)c2ccccc12 ZINC000001094721 557177882 /nfs/dbraw/zinc/17/78/82/557177882.db2.gz LDMDXPJZDGILCA-UHFFFAOYSA-N 0 0 420.328 5.029 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000001094726 132237109 /nfs/dbraw/zinc/23/71/09/132237109.db2.gz LFOUUAMYIOWYLU-QHCPKHFHSA-N 0 0 414.896 5.605 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000001094727 132237101 /nfs/dbraw/zinc/23/71/01/132237101.db2.gz LFOUUAMYIOWYLU-HSZRJFAPSA-N 0 0 414.896 5.605 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1)CCC3 ZINC000001094843 568769275 /nfs/dbraw/zinc/76/92/75/568769275.db2.gz OONRKQQVJKJUMK-UHFFFAOYSA-N 0 0 411.596 5.517 50 0 HKAARN Cc1ccc(-c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc32)cc1C ZINC000001094850 132237072 /nfs/dbraw/zinc/23/70/72/132237072.db2.gz RFKMXRKNPHYQLJ-UHFFFAOYSA-N 0 0 412.512 5.379 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccc(F)c1 ZINC000001094948 557177877 /nfs/dbraw/zinc/17/78/77/557177877.db2.gz AMPPWMFHJHXYNR-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN O=C(c1ccccc1F)N(C(=O)c1ccccc1F)c1ccc(N2CCCC2)cc1 ZINC000001094964 568769536 /nfs/dbraw/zinc/76/95/36/568769536.db2.gz UUKYXPJQNPLCDR-UHFFFAOYSA-N 0 0 406.432 5.052 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1Cl ZINC000001094968 568769551 /nfs/dbraw/zinc/76/95/51/568769551.db2.gz VOWYPCGGCICRAT-UHFFFAOYSA-N 0 0 420.852 5.480 50 0 HKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4cccc(F)c4)sc3nc3c2CCCC3)o1 ZINC000001094976 568769513 /nfs/dbraw/zinc/76/95/13/568769513.db2.gz CNLNXTLPANAUQJ-UHFFFAOYSA-N 0 0 421.497 5.717 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)c2c3ccccc3ccn12 ZINC000001095014 569287833 /nfs/dbraw/zinc/28/78/33/569287833.db2.gz BJZWKRDPMRJXQR-UHFFFAOYSA-N 0 0 419.480 6.167 50 0 HKAARN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000001095239 557178139 /nfs/dbraw/zinc/17/81/39/557178139.db2.gz FVSJSSBUTUINMJ-UHFFFAOYSA-N 0 0 409.913 6.303 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000001095247 568769532 /nfs/dbraw/zinc/76/95/32/568769532.db2.gz FVDQSVIJRJPELU-UHFFFAOYSA-N 0 0 400.478 5.944 50 0 HKAARN COc1ccccc1Oc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000001095395 537101244 /nfs/dbraw/zinc/10/12/44/537101244.db2.gz GMUAHZZZGJJTBS-UHFFFAOYSA-N 0 0 421.452 5.540 50 0 HKAARN CCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1-c1ccccc1 ZINC000001095396 568769539 /nfs/dbraw/zinc/76/95/39/568769539.db2.gz OKDOBAJOJBPDSX-UHFFFAOYSA-N 0 0 422.282 5.003 50 0 HKAARN COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000001095600 524576996 /nfs/dbraw/zinc/57/69/96/524576996.db2.gz XAWMXXPXYXXPEW-UHFFFAOYSA-N 0 0 408.298 5.385 50 0 HKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc(Cc2ccncc2)cc1 ZINC000001095601 526374993 /nfs/dbraw/zinc/37/49/93/526374993.db2.gz DQLYUYNQFYWMLN-UHFFFAOYSA-N 0 0 406.485 5.939 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc(OCC)c1OCC ZINC000001095608 557178160 /nfs/dbraw/zinc/17/81/60/557178160.db2.gz VZGJBYAFAODUAS-UHFFFAOYSA-N 0 0 405.494 5.387 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1Br ZINC000001095824 524199162 /nfs/dbraw/zinc/19/91/62/524199162.db2.gz QXAGCOWWUBCINZ-UHFFFAOYSA-N 0 0 419.500 5.126 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 ZINC000001096030 557178165 /nfs/dbraw/zinc/17/81/65/557178165.db2.gz ZZNLSHDBOJRIKG-XBXARRHUSA-N 0 0 403.301 5.028 50 0 HKAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001096033 557178168 /nfs/dbraw/zinc/17/81/68/557178168.db2.gz YORKZDDQHJNAFQ-UHFFFAOYSA-N 0 0 401.293 6.106 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001096044 568769544 /nfs/dbraw/zinc/76/95/44/568769544.db2.gz VZKUSERDRDEDDZ-UHFFFAOYSA-N 0 0 404.853 6.348 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000001096434 558775110 /nfs/dbraw/zinc/77/51/10/558775110.db2.gz HPKHLFSXFHOZQU-UHFFFAOYSA-N 0 0 413.477 5.770 50 0 HKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000001096453 557178130 /nfs/dbraw/zinc/17/81/30/557178130.db2.gz GLYGMTTUVSPAQB-UHFFFAOYSA-N 0 0 411.910 5.656 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001096601 568769550 /nfs/dbraw/zinc/76/95/50/568769550.db2.gz KBBGPMHFJXRDRT-UHFFFAOYSA-N 0 0 418.420 5.178 50 0 biogenic HKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1cccc2-c1ccccn1 ZINC000001096654 521428202 /nfs/dbraw/zinc/42/82/02/521428202.db2.gz RVGLHSLGNSOYFR-UHFFFAOYSA-N 0 0 404.853 5.062 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2c1cccc2-c1ccccn1 ZINC000001096655 521429186 /nfs/dbraw/zinc/42/91/86/521429186.db2.gz ZBUTVMDSUWHNJZ-UHFFFAOYSA-N 0 0 420.468 5.562 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2c1cccc2-c1ccccn1 ZINC000001096656 569287765 /nfs/dbraw/zinc/28/77/65/569287765.db2.gz AHHNYAXKJXNKOL-UHFFFAOYSA-N 0 0 420.468 5.562 50 0 HKAARN O=c1[nH]c2ccc(NCc3cc(Cl)cc(Cl)c3OCc3ccccc3)cc2[nH]1 ZINC000001097322 568769578 /nfs/dbraw/zinc/76/95/78/568769578.db2.gz ZUFPMUGHISONHK-UHFFFAOYSA-N 0 0 414.292 5.354 50 0 HKAARN Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000001097528 568769724 /nfs/dbraw/zinc/76/97/24/568769724.db2.gz XFNWGLMCRWGMKS-UHFFFAOYSA-N 0 0 415.283 5.482 50 0 HKAARN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097735 568769778 /nfs/dbraw/zinc/76/97/78/568769778.db2.gz NRHYIFUEKFEVOU-DEOSSOPVSA-N 0 0 413.452 5.283 50 0 HKAARN COc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097736 568769789 /nfs/dbraw/zinc/76/97/89/568769789.db2.gz NRHYIFUEKFEVOU-XMMPIXPASA-N 0 0 413.452 5.283 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000001098526 568769769 /nfs/dbraw/zinc/76/97/69/568769769.db2.gz PVCMNKYILWEDJU-UHFFFAOYSA-N 0 0 416.502 5.201 50 0 HKAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000001098778 557178486 /nfs/dbraw/zinc/17/84/86/557178486.db2.gz BMZWENLPOCVJLC-UHFFFAOYSA-N 0 0 416.546 5.467 50 0 HKAARN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cccc2ccccc21 ZINC000001098804 568769914 /nfs/dbraw/zinc/76/99/14/568769914.db2.gz ORPYUFCTMINPHF-UHFFFAOYSA-N 0 0 421.266 5.007 50 0 HKAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001098928 568769981 /nfs/dbraw/zinc/76/99/81/568769981.db2.gz YYXIEOPKWXDDHN-UHFFFAOYSA-N 0 0 411.299 5.562 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)cc(C)c1Br ZINC000001098936 557178420 /nfs/dbraw/zinc/17/84/20/557178420.db2.gz MLYUMOWAEVOMTG-UHFFFAOYSA-N 0 0 410.311 5.750 50 0 HKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)N1CCCCCC1 ZINC000001099207 568769978 /nfs/dbraw/zinc/76/99/78/568769978.db2.gz DKYMQRGQLQJSNE-UHFFFAOYSA-N 0 0 417.987 5.506 50 0 HKAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Br)c2cccnc21 ZINC000001099253 557178453 /nfs/dbraw/zinc/17/84/53/557178453.db2.gz BWVPKWDPPMBALS-UHFFFAOYSA-N 0 0 422.065 5.105 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001099302 557178824 /nfs/dbraw/zinc/17/88/24/557178824.db2.gz XBHBGFZQWJZKCT-UHFFFAOYSA-N 0 0 422.550 5.029 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000001099413 568769901 /nfs/dbraw/zinc/76/99/01/568769901.db2.gz ISQOWOAKYPSPFP-UHFFFAOYSA-N 0 0 417.490 5.285 50 0 HKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001099416 568769846 /nfs/dbraw/zinc/76/98/46/568769846.db2.gz DUQKQHHYMCBFOF-UHFFFAOYSA-N 0 0 415.902 5.093 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 ZINC000001099803 527232399 /nfs/dbraw/zinc/23/23/99/527232399.db2.gz JHWJEYIJMHDKGE-UHFFFAOYSA-N 0 0 413.246 5.093 50 0 HKAARN S=C1CO[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000001099816 560566920 /nfs/dbraw/zinc/56/69/20/560566920.db2.gz CWCUGLRMOWOXIM-HNNXBMFYSA-N 0 0 413.134 5.074 50 0 HKAARN S=C1CO[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000001099817 526386687 /nfs/dbraw/zinc/38/66/87/526386687.db2.gz CWCUGLRMOWOXIM-OAHLLOKOSA-N 0 0 413.134 5.074 50 0 HKAARN S=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N1CCCCC1 ZINC000001100014 568769880 /nfs/dbraw/zinc/76/98/80/568769880.db2.gz JIPCEPASVAYAHH-UHFFFAOYSA-N 0 0 403.378 6.158 50 0 HKAARN Cc1ccc(C(C)C)c(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)c1 ZINC000001100018 568769872 /nfs/dbraw/zinc/76/98/72/568769872.db2.gz HDFJTJIVNVDRAT-UHFFFAOYSA-N 0 0 420.622 6.314 50 0 HKAARN S=C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1 ZINC000001100027 526386842 /nfs/dbraw/zinc/38/68/42/526386842.db2.gz BZFBEDPTRAMKNB-UHFFFAOYSA-N 0 0 405.350 5.004 50 0 HKAARN Cc1nnc(SCCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)s1 ZINC000001100403 568768748 /nfs/dbraw/zinc/76/87/48/568768748.db2.gz UYQDBIWXZDZRNC-UHFFFAOYSA-N 0 0 412.565 5.244 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1 ZINC000001100443 568768692 /nfs/dbraw/zinc/76/86/92/568768692.db2.gz XYVCBJCWCZMBGD-UHFFFAOYSA-N 0 0 422.579 5.486 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2ccc(C)c(C)c2)c2c1cc(O)c1ccccc21 ZINC000001100476 568768702 /nfs/dbraw/zinc/76/87/02/568768702.db2.gz ZJSDVFWEGKFJII-UHFFFAOYSA-N 0 0 417.505 5.681 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000001100538 557178879 /nfs/dbraw/zinc/17/88/79/557178879.db2.gz PVLALUUAYLGGJR-UHFFFAOYSA-N 0 0 400.912 5.939 50 0 HKAARN O=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1 ZINC000001100848 557179118 /nfs/dbraw/zinc/17/91/18/557179118.db2.gz OSIZEGISBQWQSO-UHFFFAOYSA-N 0 0 412.927 5.138 50 0 HKAARN Clc1ccc(-c2csc3ncnc(SCc4ccc5c(c4)OCO5)c23)cc1 ZINC000001100883 568768689 /nfs/dbraw/zinc/76/86/89/568768689.db2.gz BXCWKCDMJRHSFZ-UHFFFAOYSA-N 0 0 412.923 6.033 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)nc(N)c32)C1 ZINC000001100914 568768730 /nfs/dbraw/zinc/76/87/30/568768730.db2.gz WCGQMFJLAONIQT-AWEZNQCLSA-N 0 0 411.596 5.400 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)nc(N)c32)C1 ZINC000001100915 568768683 /nfs/dbraw/zinc/76/86/83/568768683.db2.gz WCGQMFJLAONIQT-CQSZACIVSA-N 0 0 411.596 5.400 50 0 HKAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc3ccccc32)o1 ZINC000001101093 557179072 /nfs/dbraw/zinc/17/90/72/557179072.db2.gz IFHGEHRAJXLOFH-UHFFFAOYSA-N 0 0 419.506 5.149 50 0 HKAARN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)C(C)C ZINC000001101327 560728052 /nfs/dbraw/zinc/72/80/52/560728052.db2.gz DDRGTPJBTJRGKX-UHFFFAOYSA-N 0 0 412.873 5.455 50 0 HKAARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2)CC1 ZINC000001101445 557179112 /nfs/dbraw/zinc/17/91/12/557179112.db2.gz IYHKOPBJKTUNSD-UHFFFAOYSA-N 0 0 402.563 5.032 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Br)cc1 ZINC000001101456 557179182 /nfs/dbraw/zinc/17/91/82/557179182.db2.gz MITLYTDVRFCCJS-HNNXBMFYSA-N 0 0 413.793 5.547 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)cc1 ZINC000001101457 557179187 /nfs/dbraw/zinc/17/91/87/557179187.db2.gz MITLYTDVRFCCJS-OAHLLOKOSA-N 0 0 413.793 5.547 50 0 HKAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000001101648 568768935 /nfs/dbraw/zinc/76/89/35/568768935.db2.gz PDTJXOBFBHHQDH-UHFFFAOYSA-N 0 0 424.525 5.731 50 0 HKAARN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Br)cc1 ZINC000001101731 557179433 /nfs/dbraw/zinc/17/94/33/557179433.db2.gz KIEIIJUOLHFDJE-UHFFFAOYSA-N 0 0 419.319 5.917 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)N(c1ccccc1)c1ccccc1)CCCC3=O ZINC000001102108 568768960 /nfs/dbraw/zinc/76/89/60/568768960.db2.gz UNUXLLVOMTYQLT-UHFFFAOYSA-N 0 0 413.502 5.376 50 0 HKAARN COc1ccc([C@@H]2SCCN2C(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000001102292 568771387 /nfs/dbraw/zinc/77/13/87/568771387.db2.gz KUBZOHHIRTYTHH-NRFANRHFSA-N 0 0 414.914 5.200 50 0 HKAARN COc1ccc([C@H]2SCCN2C(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000001102293 568771407 /nfs/dbraw/zinc/77/14/07/568771407.db2.gz KUBZOHHIRTYTHH-OAQYLSRUSA-N 0 0 414.914 5.200 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001102367 557179597 /nfs/dbraw/zinc/17/95/97/557179597.db2.gz IUBBPYQQDQYKHZ-INIZCTEOSA-N 0 0 406.869 5.124 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001102368 557179460 /nfs/dbraw/zinc/17/94/60/557179460.db2.gz IUBBPYQQDQYKHZ-MRXNPFEDSA-N 0 0 406.869 5.124 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CC[C@H](C)C2 ZINC000001102463 568771399 /nfs/dbraw/zinc/77/13/99/568771399.db2.gz IGAXBSQFTXHZID-NSHDSACASA-N 0 0 422.344 5.064 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CC[C@@H](C)C2 ZINC000001102464 568771395 /nfs/dbraw/zinc/77/13/95/568771395.db2.gz IGAXBSQFTXHZID-LLVKDONJSA-N 0 0 422.344 5.064 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000001102476 568771480 /nfs/dbraw/zinc/77/14/80/568771480.db2.gz ZQPARLLUTJIORX-UHFFFAOYSA-N 0 0 407.919 5.106 50 0 HKAARN CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000001102527 132237045 /nfs/dbraw/zinc/23/70/45/132237045.db2.gz UALJHPGHXSSDED-UHFFFAOYSA-N 0 0 423.315 5.078 50 0 HKAARN c1ccc2[nH]c(SCc3ccc(CSc4nc5ccccc5[nH]4)cc3)nc2c1 ZINC000001102617 557179364 /nfs/dbraw/zinc/17/93/64/557179364.db2.gz AKBOPMDMZRXYQW-UHFFFAOYSA-N 0 0 402.548 6.024 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](CC)C2 ZINC000001102658 568771736 /nfs/dbraw/zinc/77/17/36/568771736.db2.gz XIYIUDIOJFBPKM-AWEZNQCLSA-N 0 0 401.528 5.091 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](CC)C2 ZINC000001102659 568771581 /nfs/dbraw/zinc/77/15/81/568771581.db2.gz XIYIUDIOJFBPKM-CQSZACIVSA-N 0 0 401.528 5.091 50 0 HKAARN O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccccc1Cl ZINC000001102676 568771647 /nfs/dbraw/zinc/77/16/47/568771647.db2.gz SANMNLWWCYVPQC-UHFFFAOYSA-N 0 0 417.690 5.329 50 0 HKAARN O=C(CSc1nnc(Nc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001102710 557179505 /nfs/dbraw/zinc/17/95/05/557179505.db2.gz YDHOWUWBODKCPW-UHFFFAOYSA-N 0 0 404.470 5.125 50 0 HKAARN Cc1cc2sc(NC(=O)c3cc(Br)ccc3Cl)nc2cc1Cl ZINC000001103044 557179416 /nfs/dbraw/zinc/17/94/16/557179416.db2.gz YKUWXKOLGCTWAK-UHFFFAOYSA-N 0 0 416.127 5.926 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccccc1F)c1ccccc21 ZINC000001103112 568771602 /nfs/dbraw/zinc/77/16/02/568771602.db2.gz YCZWOTMDTOVAGV-UHFFFAOYSA-N 0 0 405.425 5.175 50 0 HKAARN O=C(Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3)c1cccs1 ZINC000001103123 557179814 /nfs/dbraw/zinc/17/98/14/557179814.db2.gz XXRTXVNVZUBUKJ-UHFFFAOYSA-N 0 0 423.588 6.035 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)n3c4ccccc4c4c3CCCC4)o2)cc1 ZINC000001103179 557179830 /nfs/dbraw/zinc/17/98/30/557179830.db2.gz SJBQUHVHBINDJN-UHFFFAOYSA-N 0 0 403.507 5.311 50 0 HKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000001103478 557179690 /nfs/dbraw/zinc/17/96/90/557179690.db2.gz CNRAPZCNOJCJCY-UHFFFAOYSA-N 0 0 406.507 5.140 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000001103857 568771904 /nfs/dbraw/zinc/77/19/04/568771904.db2.gz YISITNXXFSHUPY-UHFFFAOYSA-N 0 0 412.272 6.571 50 0 HKAARN CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000001104083 557179865 /nfs/dbraw/zinc/17/98/65/557179865.db2.gz OUQSUFXDHDPVID-BOPFTXTBSA-N 0 0 418.312 5.084 50 0 HKAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccco2)CCCCC3)cc1 ZINC000001104438 557179796 /nfs/dbraw/zinc/17/97/96/557179796.db2.gz FZMHRYXBRJNCIW-UHFFFAOYSA-N 0 0 424.522 5.513 50 0 HKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000001104445 568771823 /nfs/dbraw/zinc/77/18/23/568771823.db2.gz DDVJOQFEXMJYGH-UHFFFAOYSA-N 0 0 412.536 5.202 50 0 HKAARN O=C(Nc1c(C(=O)Nc2cccc3ccccc32)cnn1-c1ccccc1)c1ccco1 ZINC000001104453 557180049 /nfs/dbraw/zinc/18/00/49/557180049.db2.gz ZLIIPZSTNJYQNS-UHFFFAOYSA-N 0 0 422.444 5.123 50 0 HKAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCCC2 ZINC000001104468 557180057 /nfs/dbraw/zinc/18/00/57/557180057.db2.gz FWBFVRBTBBTIOX-UHFFFAOYSA-N 0 0 405.523 5.225 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(Br)c1 ZINC000001104810 557180028 /nfs/dbraw/zinc/18/00/28/557180028.db2.gz FVFGKZUIODSCFF-UHFFFAOYSA-N 0 0 422.322 5.655 50 0 HKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000001105092 568771857 /nfs/dbraw/zinc/77/18/57/568771857.db2.gz AFJJNTYYRPRCJH-UHFFFAOYSA-N 0 0 422.575 5.998 50 0 HKAARN O=C(CSc1nnc2ccc3ccccc3n21)c1ccc(Oc2ccccc2)cc1 ZINC000001105096 568771922 /nfs/dbraw/zinc/77/19/22/568771922.db2.gz HWIYRCDFLRVDCM-UHFFFAOYSA-N 0 0 411.486 5.650 50 0 HKAARN COc1ccc2c(C)cc(SCC(=O)c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000001105099 568771931 /nfs/dbraw/zinc/77/19/31/568771931.db2.gz KZXMFAPMVWEPDH-UHFFFAOYSA-N 0 0 415.514 6.319 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)CSc1nc2ccccc2s1 ZINC000001105124 557180119 /nfs/dbraw/zinc/18/01/19/557180119.db2.gz SEQUZIYCYFCTJD-UHFFFAOYSA-N 0 0 407.358 5.406 50 0 HKAARN S=C(c1cn(CCOc2cccc3ccccc32)c2ccccc12)N1CCCC1 ZINC000001105140 557180136 /nfs/dbraw/zinc/18/01/36/557180136.db2.gz DQVJIYPIVMRRFP-UHFFFAOYSA-N 0 0 400.547 5.645 50 0 aggregator HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(C)c1 ZINC000001105221 568771915 /nfs/dbraw/zinc/77/19/15/568771915.db2.gz NKHLHBTYNABFPA-UHFFFAOYSA-N 0 0 419.481 5.378 50 0 HKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(C)cc(C)c4)c23)cc1 ZINC000001105435 557180149 /nfs/dbraw/zinc/18/01/49/557180149.db2.gz KXLZPAKUXZFUHY-UHFFFAOYSA-N 0 0 419.575 6.014 50 0 HKAARN Cc1sc2nc(SCc3cccc(F)c3)n(Cc3ccco3)c(=O)c2c1C ZINC000001105440 557180088 /nfs/dbraw/zinc/18/00/88/557180088.db2.gz RSBLCIVJKURHEW-UHFFFAOYSA-N 0 0 400.500 5.148 50 0 HKAARN Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000001105759 568772127 /nfs/dbraw/zinc/77/21/27/568772127.db2.gz HFFZPEYNQDQYMW-UHFFFAOYSA-N 0 0 412.747 5.081 50 0 HKAARN O=C(Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1)c1ccco1 ZINC000001105776 568772130 /nfs/dbraw/zinc/77/21/30/568772130.db2.gz RJORBTBEPMINSU-UHFFFAOYSA-N 0 0 411.207 5.035 50 0 HKAARN O=C(NCc1ccco1)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000001105879 568772069 /nfs/dbraw/zinc/77/20/69/568772069.db2.gz JXHFLIXVZFHXDZ-UHFFFAOYSA-N 0 0 414.914 5.056 50 0 HKAARN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccccc1Sc1ccccc1 ZINC000001105956 557180489 /nfs/dbraw/zinc/18/04/89/557180489.db2.gz XDOGYYPXEJUJTR-UHFFFAOYSA-N 0 0 410.498 5.590 50 0 HKAARN O=C(Oc1ccc2cc(Br)ccc2c1Br)N1CCCCC1 ZINC000001106036 568772149 /nfs/dbraw/zinc/77/21/49/568772149.db2.gz WXVVOQIGNWSDPX-UHFFFAOYSA-N 0 0 413.109 5.350 50 0 HKAARN Cc1c(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000001106144 560570785 /nfs/dbraw/zinc/57/07/85/560570785.db2.gz LMYXACMLTLGJFZ-UUYOSTAYSA-N 0 0 415.518 5.314 50 0 HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3F)c2)cc1 ZINC000001106315 557180353 /nfs/dbraw/zinc/18/03/53/557180353.db2.gz JIOQWWIETXYSEK-UHFFFAOYSA-N 0 0 418.420 5.444 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccco3)c2)cc1 ZINC000001106334 569060250 /nfs/dbraw/zinc/06/02/50/569060250.db2.gz IPDGRZDVYHLVGD-UHFFFAOYSA-N 0 0 404.418 5.288 50 0 biogenic HKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccs3)c2)cc1 ZINC000001106335 569060249 /nfs/dbraw/zinc/06/02/49/569060249.db2.gz HJKRKRCFUVJVPN-UHFFFAOYSA-N 0 0 420.486 5.756 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccs3)c2)cc1 ZINC000001106347 568770155 /nfs/dbraw/zinc/77/01/55/568770155.db2.gz CXEOFNCQXLWFHI-UHFFFAOYSA-N 0 0 406.459 5.366 50 0 biogenic HKAARN COc1ccc(OC)c(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)c1 ZINC000001106363 568770079 /nfs/dbraw/zinc/77/00/79/568770079.db2.gz ZQWANALYGPOUTO-XIEYBQDHSA-N 0 0 401.418 5.078 50 0 HKAARN COc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)c(OC)c1 ZINC000001106367 568770153 /nfs/dbraw/zinc/77/01/53/568770153.db2.gz PDLQDMWAWKRIML-NCELDCMTSA-N 0 0 401.418 5.078 50 0 biogenic HKAARN COc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)cc1OC ZINC000001106369 568770058 /nfs/dbraw/zinc/77/00/58/568770058.db2.gz DAYHIJYYHHPEPB-XIEYBQDHSA-N 0 0 401.418 5.078 50 0 biogenic HKAARN CC(C)(C)c1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1 ZINC000001106399 568770048 /nfs/dbraw/zinc/77/00/48/568770048.db2.gz WBIMSZMWCUKOQF-UHFFFAOYSA-N 0 0 403.547 6.310 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC ZINC000001106973 557180320 /nfs/dbraw/zinc/18/03/20/557180320.db2.gz VFPDIZBURZQYJB-RVDMUPIBSA-N 0 0 405.519 5.648 50 0 HKAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000001107055 557180312 /nfs/dbraw/zinc/18/03/12/557180312.db2.gz VXBIRMQBURZVEO-UHFFFAOYSA-N 0 0 420.512 5.163 50 0 HKAARN O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2ccccc2c1 ZINC000001107238 557180775 /nfs/dbraw/zinc/18/07/75/557180775.db2.gz HIUDNKNQXJKRSQ-UHFFFAOYSA-N 0 0 411.526 6.061 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000001107241 557180817 /nfs/dbraw/zinc/18/08/17/557180817.db2.gz LELOQGLIZSQUBV-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN COc1cccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2C)CCCC3)c1 ZINC000001107304 557180847 /nfs/dbraw/zinc/18/08/47/557180847.db2.gz ORYWLSSFYUUVQI-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN O=C(c1ccccc1)[C@@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 ZINC000001107356 557180685 /nfs/dbraw/zinc/18/06/85/557180685.db2.gz LLWGPOKMARSGTQ-FQEVSTJZSA-N 0 0 401.516 5.660 50 0 HKAARN O=C(c1ccccc1)[C@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 ZINC000001107357 557180771 /nfs/dbraw/zinc/18/07/71/557180771.db2.gz LLWGPOKMARSGTQ-HXUWFJFHSA-N 0 0 401.516 5.660 50 0 HKAARN CC(=O)O[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000001107364 557180766 /nfs/dbraw/zinc/18/07/66/557180766.db2.gz USWLZSIDDAZYPY-QHCPKHFHSA-N 0 0 412.445 5.252 50 0 HKAARN CC(=O)O[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000001107365 557180745 /nfs/dbraw/zinc/18/07/45/557180745.db2.gz USWLZSIDDAZYPY-HSZRJFAPSA-N 0 0 412.445 5.252 50 0 HKAARN COc1ccc(-c2cc(NC(=O)N3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000001107381 557180854 /nfs/dbraw/zinc/18/08/54/557180854.db2.gz FAOITCIAVWQSHQ-UHFFFAOYSA-N 0 0 409.489 5.501 50 0 HKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccc(C)cc2)cc1 ZINC000001107956 557180986 /nfs/dbraw/zinc/18/09/86/557180986.db2.gz BYWGHQWOGUSAEZ-PXLXIMEGSA-N 0 0 404.897 5.366 50 0 HKAARN COc1ccccc1NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc(C)cc1 ZINC000001107958 557180961 /nfs/dbraw/zinc/18/09/61/557180961.db2.gz FQSGGOHYXDOVGK-RCCKNPSSSA-N 0 0 420.896 5.067 50 0 HKAARN COC(=O)c1ccc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)cc1 ZINC000001108015 557181042 /nfs/dbraw/zinc/18/10/42/557181042.db2.gz VJEQXMQCRBHFMO-UHFFFAOYSA-N 0 0 400.430 5.134 50 0 biogenic HKAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)cc1 ZINC000001108018 557180983 /nfs/dbraw/zinc/18/09/83/557180983.db2.gz IYGXKRPMGVTNBW-UHFFFAOYSA-N 0 0 416.429 5.259 50 0 biogenic HKAARN CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000001108123 569282360 /nfs/dbraw/zinc/28/23/60/569282360.db2.gz MPCYBPNOLBTPOA-UHFFFAOYSA-N 0 0 423.516 5.199 50 0 HKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000001108268 557181046 /nfs/dbraw/zinc/18/10/46/557181046.db2.gz BNSNBLDWYDCOPR-UHFFFAOYSA-N 0 0 414.933 5.754 50 0 HKAARN COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1Cl ZINC000001108279 557180959 /nfs/dbraw/zinc/18/09/59/557180959.db2.gz ZOFOQKATSBUOJM-UHFFFAOYSA-N 0 0 420.852 5.599 50 0 HKAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001108290 557181074 /nfs/dbraw/zinc/18/10/74/557181074.db2.gz QODORCJHCASRPM-UHFFFAOYSA-N 0 0 413.304 5.218 50 0 HKAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000001108298 557180954 /nfs/dbraw/zinc/18/09/54/557180954.db2.gz YXKYYDULMVMBHU-UHFFFAOYSA-N 0 0 410.470 5.061 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 ZINC000001108300 557180964 /nfs/dbraw/zinc/18/09/64/557180964.db2.gz DWFDXCQLQDAJLR-UHFFFAOYSA-N 0 0 421.953 5.777 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1Cl ZINC000001108441 557180967 /nfs/dbraw/zinc/18/09/67/557180967.db2.gz QZBZYHJTMNZXRW-UHFFFAOYSA-N 0 0 418.975 5.071 50 0 HKAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000001108541 557181318 /nfs/dbraw/zinc/18/13/18/557181318.db2.gz PIYVYCUJFAPYCN-UHFFFAOYSA-N 0 0 411.461 5.003 50 0 HKAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1 ZINC000001108604 568770296 /nfs/dbraw/zinc/77/02/96/568770296.db2.gz SAJMPMKBHSKAKY-UHFFFAOYSA-N 0 0 418.522 5.283 50 0 HKAARN Cc1ccc(N(C)C(=O)Oc2ccc(OC(=O)N(C)c3ccc(C)cc3)cc2)cc1 ZINC000001108626 557181306 /nfs/dbraw/zinc/18/13/06/557181306.db2.gz AAUKAPVRFYHWNT-UHFFFAOYSA-N 0 0 404.466 5.574 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Cl)cc1Br ZINC000001108659 557181322 /nfs/dbraw/zinc/18/13/22/557181322.db2.gz DUCNHEXFQHWUQT-UHFFFAOYSA-N 0 0 419.102 5.090 50 0 HKAARN C[C@H](Oc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000001108707 557181410 /nfs/dbraw/zinc/18/14/10/557181410.db2.gz JQEAAHPQRLVSSD-AWEZNQCLSA-N 0 0 414.288 5.896 50 0 HKAARN C[C@@H](Oc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000001108708 557181277 /nfs/dbraw/zinc/18/12/77/557181277.db2.gz JQEAAHPQRLVSSD-CQSZACIVSA-N 0 0 414.288 5.896 50 0 HKAARN CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000001108713 557181293 /nfs/dbraw/zinc/18/12/93/557181293.db2.gz ABGAVQUZBDOQJB-UHFFFAOYSA-N 0 0 419.488 5.790 50 0 HKAARN O=C(Nc1ccccc1Cl)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000001108756 557181664 /nfs/dbraw/zinc/18/16/64/557181664.db2.gz SGEKPTFCCNGABX-UHFFFAOYSA-N 0 0 408.288 6.098 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(C)=O)c3)nc2c1 ZINC000001108853 557181693 /nfs/dbraw/zinc/18/16/93/557181693.db2.gz KZYFUCVJTCDGNA-LLVKDONJSA-N 0 0 401.919 5.495 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(C)=O)c3)nc2c1 ZINC000001108854 557181723 /nfs/dbraw/zinc/18/17/23/557181723.db2.gz KZYFUCVJTCDGNA-NSHDSACASA-N 0 0 401.919 5.495 50 0 HKAARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000001108880 557181702 /nfs/dbraw/zinc/18/17/02/557181702.db2.gz FKYSDTHYLIOBEY-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4COc5ccccc5O4)cc3)sc2c1 ZINC000001108938 557181694 /nfs/dbraw/zinc/18/16/94/557181694.db2.gz SBIBLACFXCVKBY-HXUWFJFHSA-N 0 0 402.475 5.050 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4COc5ccccc5O4)cc3)sc2c1 ZINC000001108939 557181674 /nfs/dbraw/zinc/18/16/74/557181674.db2.gz SBIBLACFXCVKBY-FQEVSTJZSA-N 0 0 402.475 5.050 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001108954 557181668 /nfs/dbraw/zinc/18/16/68/557181668.db2.gz HNYXXNIBHQWHSX-UHFFFAOYSA-N 0 0 400.221 5.556 50 0 HKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2Cl)c1C ZINC000001109137 557181949 /nfs/dbraw/zinc/18/19/49/557181949.db2.gz GLRDLSUGQQDITL-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)s2)cc1 ZINC000001109191 557181939 /nfs/dbraw/zinc/18/19/39/557181939.db2.gz XSOKWTADTBLGCU-UHFFFAOYSA-N 0 0 421.909 5.709 50 0 HKAARN CC(=O)N(Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)Cc1ccccc1 ZINC000001109214 557181933 /nfs/dbraw/zinc/18/19/33/557181933.db2.gz UNUMOZYXEQLMBB-UHFFFAOYSA-N 0 0 421.500 5.834 50 0 HKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000001109245 557181941 /nfs/dbraw/zinc/18/19/41/557181941.db2.gz IWIZGGGWMAIIMU-NRFANRHFSA-N 0 0 407.510 5.258 50 0 HKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000001109246 557181952 /nfs/dbraw/zinc/18/19/52/557181952.db2.gz IWIZGGGWMAIIMU-OAQYLSRUSA-N 0 0 407.510 5.258 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1Br ZINC000001109360 557181944 /nfs/dbraw/zinc/18/19/44/557181944.db2.gz PNQOYUKHFVXZKQ-UHFFFAOYSA-N 0 0 413.237 5.320 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(F)c(Cl)c1 ZINC000001109375 557181925 /nfs/dbraw/zinc/18/19/25/557181925.db2.gz KJBMCIGWVPZQON-UHFFFAOYSA-N 0 0 407.923 5.093 50 0 HKAARN Clc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 ZINC000001109395 557182361 /nfs/dbraw/zinc/18/23/61/557182361.db2.gz PAASKRQNHKVWOL-UHFFFAOYSA-N 0 0 400.059 5.385 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cncc(Br)c1 ZINC000001109595 557182301 /nfs/dbraw/zinc/18/23/01/557182301.db2.gz JSVFEFNCLGZKKY-UHFFFAOYSA-N 0 0 403.663 5.542 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3)oc2c1 ZINC000001109683 557182377 /nfs/dbraw/zinc/18/23/77/557182377.db2.gz PFKDVWLPNPVAFJ-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN COc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 ZINC000001109779 557182353 /nfs/dbraw/zinc/18/23/53/557182353.db2.gz VFLMFRZXEWRFSG-UHFFFAOYSA-N 0 0 412.283 5.289 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1 ZINC000001109851 132237480 /nfs/dbraw/zinc/23/74/80/132237480.db2.gz NWXJYIVIBMTGCM-UHFFFAOYSA-N 0 0 417.225 5.304 50 0 HKAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)c1 ZINC000001109990 557182621 /nfs/dbraw/zinc/18/26/21/557182621.db2.gz QKOUQYPUIUCYHW-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN Clc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1 ZINC000001110035 557182626 /nfs/dbraw/zinc/18/26/26/557182626.db2.gz NGYHDMCLZOPBIB-UHFFFAOYSA-N 0 0 401.900 5.132 50 0 HKAARN O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1 ZINC000001110175 557182895 /nfs/dbraw/zinc/18/28/95/557182895.db2.gz UFSWGPZMIRDIRT-UHFFFAOYSA-N 0 0 404.516 5.258 50 0 HKAARN O=C(CSc1ccccc1)Nc1ccccc1NC(=O)CSc1ccccc1 ZINC000001110285 557182892 /nfs/dbraw/zinc/18/28/92/557182892.db2.gz GEAZFZZARVZCPB-UHFFFAOYSA-N 0 0 408.548 5.148 50 0 HKAARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000001110401 557182826 /nfs/dbraw/zinc/18/28/26/557182826.db2.gz DWUZYTCVXGEMKX-UHFFFAOYSA-N 0 0 409.445 5.546 50 0 aggregator HKAARN COc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc(OC)cc2)cc1 ZINC000001110468 557182899 /nfs/dbraw/zinc/18/28/99/557182899.db2.gz KBRQNPZHAKXKTN-UHFFFAOYSA-N 0 0 422.531 5.808 50 0 HKAARN COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1ccccc1Cl ZINC000001110493 557182937 /nfs/dbraw/zinc/18/29/37/557182937.db2.gz YQVHFSURPFJAJN-UHFFFAOYSA-N 0 0 408.885 5.470 50 0 HKAARN Cc1ccc(N(C)C(=O)Oc2ccccc2OC(=O)N(C)c2ccc(C)cc2)cc1 ZINC000001110563 557183135 /nfs/dbraw/zinc/18/31/35/557183135.db2.gz GQAAOKIHECXNTO-UHFFFAOYSA-N 0 0 404.466 5.574 50 0 HKAARN Cc1sc2nc(SCc3ccc4c(c3)OCO4)n(-c3ccccc3)c(=O)c2c1C ZINC000001110565 557183180 /nfs/dbraw/zinc/18/31/80/557183180.db2.gz FLLCNFCCRRPDRW-UHFFFAOYSA-N 0 0 422.531 5.085 50 0 HKAARN O=C(Nc1ccccc1Br)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001110606 557183146 /nfs/dbraw/zinc/18/31/46/557183146.db2.gz JHYJYFNARQAPMT-UHFFFAOYSA-N 0 0 424.323 5.616 50 0 HKAARN S=C(c1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCCCC1 ZINC000001110608 557183192 /nfs/dbraw/zinc/18/31/92/557183192.db2.gz RZHUGAFUDMCSOQ-UHFFFAOYSA-N 0 0 413.384 5.614 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000001110854 557183439 /nfs/dbraw/zinc/18/34/39/557183439.db2.gz XGNVYNYZKLMUBW-UHFFFAOYSA-N 0 0 414.962 5.473 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1I ZINC000001110987 557183513 /nfs/dbraw/zinc/18/35/13/557183513.db2.gz ULXGKNLTKUUCNR-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000001111084 557183766 /nfs/dbraw/zinc/18/37/66/557183766.db2.gz VFSSUXYTQZFJJV-UHFFFAOYSA-N 0 0 405.544 5.933 50 0 HKAARN Clc1ccc(-c2nnc(-c3ccco3)n2-c2ccc(Br)cc2)cc1 ZINC000001111189 557183786 /nfs/dbraw/zinc/18/37/86/557183786.db2.gz NPDBMYAXOLNXKL-UHFFFAOYSA-N 0 0 400.663 5.610 50 0 HKAARN O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000001111218 557183779 /nfs/dbraw/zinc/18/37/79/557183779.db2.gz GKEQTLZRZGDBDZ-UHFFFAOYSA-N 0 0 402.475 5.428 50 0 HKAARN O=C(CSCc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001111223 557183821 /nfs/dbraw/zinc/18/38/21/557183821.db2.gz HSLVAZKRYDYEBD-UHFFFAOYSA-N 0 0 404.251 5.340 50 0 HKAARN Cc1c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc(=O)c1C(C)C ZINC000001111296 557183816 /nfs/dbraw/zinc/18/38/16/557183816.db2.gz OBBQBZGGTKYIDY-UHFFFAOYSA-N 0 0 415.283 5.249 50 0 HKAARN CCOc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000001111385 557183737 /nfs/dbraw/zinc/18/37/37/557183737.db2.gz AEUIUDRTFWTLDK-UHFFFAOYSA-N 0 0 422.435 5.293 50 0 HKAARN Cc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)CCCC3)c1 ZINC000001111390 557183827 /nfs/dbraw/zinc/18/38/27/557183827.db2.gz YNQWDSBQLORDMX-UHFFFAOYSA-N 0 0 403.551 5.370 50 0 HKAARN Cc1sc(NC(=O)c2cccc3ccccc32)c(C(=O)Nc2ccccc2)c1C ZINC000001111407 557183951 /nfs/dbraw/zinc/18/39/51/557183951.db2.gz OWSOORVESNNYFS-UHFFFAOYSA-N 0 0 400.503 6.023 50 0 HKAARN CC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC(=O)CSc3ccccc3)cc21 ZINC000001111473 557184086 /nfs/dbraw/zinc/18/40/86/557184086.db2.gz GPOAEJDDFJDVDR-UHFFFAOYSA-N 0 0 419.502 5.491 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C ZINC000001111523 557184071 /nfs/dbraw/zinc/18/40/71/557184071.db2.gz QBZXHYXYPXIOHR-UHFFFAOYSA-N 0 0 413.564 5.405 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc32)CN1c1ccccc1 ZINC000001111623 557184111 /nfs/dbraw/zinc/18/41/11/557184111.db2.gz GKHHGSLWPHLAII-QFIPXVFZSA-N 0 0 417.512 5.758 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc32)CN1c1ccccc1 ZINC000001111624 557184005 /nfs/dbraw/zinc/18/40/05/557184005.db2.gz GKHHGSLWPHLAII-JOCHJYFZSA-N 0 0 417.512 5.758 50 0 HKAARN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1ccccc1Cl)c1ccccc1 ZINC000001111675 557184090 /nfs/dbraw/zinc/18/40/90/557184090.db2.gz BGTOOVQQEQDBIR-UHFFFAOYSA-N 0 0 403.913 5.798 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000001111708 557184081 /nfs/dbraw/zinc/18/40/81/557184081.db2.gz WPVWRLCZCNQTDR-UHFFFAOYSA-N 0 0 406.873 5.113 50 0 HKAARN O=C(Nc1cccnc1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000001111896 557184366 /nfs/dbraw/zinc/18/43/66/557184366.db2.gz HQQUVIBABMLHRE-UHFFFAOYSA-N 0 0 404.267 5.312 50 0 HKAARN O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001111964 557184345 /nfs/dbraw/zinc/18/43/45/557184345.db2.gz LSYTXZQKSSBRCL-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000001112012 557184305 /nfs/dbraw/zinc/18/43/05/557184305.db2.gz NBQJCDWGTMLJPE-UHFFFAOYSA-N 0 0 414.795 5.687 50 0 HKAARN CCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000001112015 568770952 /nfs/dbraw/zinc/77/09/52/568770952.db2.gz FMFLQTYAXRWSNX-UHFFFAOYSA-N 0 0 409.845 5.040 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)COc1ccc(Cl)cc1C ZINC000001112145 557184273 /nfs/dbraw/zinc/18/42/73/557184273.db2.gz DPNOPOPJVSUGOO-UHFFFAOYSA-N 0 0 403.887 5.057 50 0 HKAARN O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000001112163 557184544 /nfs/dbraw/zinc/18/45/44/557184544.db2.gz JYAJRIRVAAEMRO-HSZRJFAPSA-N 0 0 423.299 5.257 50 0 HKAARN O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001112164 557184632 /nfs/dbraw/zinc/18/46/32/557184632.db2.gz JYAJRIRVAAEMRO-QHCPKHFHSA-N 0 0 423.299 5.257 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1 ZINC000001112201 557184456 /nfs/dbraw/zinc/18/44/56/557184456.db2.gz CUNPJZMPGOJAEE-UHFFFAOYSA-N 0 0 411.505 5.097 50 0 HKAARN O=C(Nc1ccccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 ZINC000001112287 557184498 /nfs/dbraw/zinc/18/44/98/557184498.db2.gz ZTOJRGFGSBBURY-UHFFFAOYSA-N 0 0 414.317 6.160 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000001112289 557184560 /nfs/dbraw/zinc/18/45/60/557184560.db2.gz YWPWNSBFSFNLAW-UHFFFAOYSA-N 0 0 422.264 5.435 50 0 HKAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)cc1 ZINC000001112464 558775021 /nfs/dbraw/zinc/77/50/21/558775021.db2.gz KPWQJBUDYLLJRK-UHFFFAOYSA-N 0 0 413.521 5.490 50 0 HKAARN 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557186576 /nfs/dbraw/zinc/18/65/76/557186576.db2.gz RAJCAFFUOKMIGP-UHFFFAOYSA-N 0 0 403.913 5.019 50 0 aggregator HKAARN COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001115237 557186522 /nfs/dbraw/zinc/18/65/22/557186522.db2.gz AESXXPIKUHNUGO-UHFFFAOYSA-N 0 0 402.519 5.852 50 0 HKAARN Cn1c(SCc2ccc(F)cc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000001115260 557186500 /nfs/dbraw/zinc/18/65/00/557186500.db2.gz BNKGMEYPGQRBGL-UHFFFAOYSA-N 0 0 418.497 5.166 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000001115332 557186530 /nfs/dbraw/zinc/18/65/30/557186530.db2.gz HNHWHKMNXXBZBR-UHFFFAOYSA-N 0 0 409.536 5.754 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1oc2cc(C)c(C)cc2c1C ZINC000001115405 557186508 /nfs/dbraw/zinc/18/65/08/557186508.db2.gz OPSRBCKFRXSMAX-UHFFFAOYSA-N 0 0 413.495 5.360 50 0 HKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2c(F)cccc2F)c1Sc1ccccc1 ZINC000001115430 557186859 /nfs/dbraw/zinc/18/68/59/557186859.db2.gz CFTIQRQDSPKSFL-UHFFFAOYSA-N 0 0 402.466 5.595 50 0 HKAARN 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/nfs/dbraw/zinc/18/69/02/557186902.db2.gz QHVOYGFZBILMTF-RDTXWAMCSA-N 0 0 400.569 5.443 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)o2)c1 ZINC000001116085 557187140 /nfs/dbraw/zinc/18/71/40/557187140.db2.gz ARINTRWEWMKFNC-UHFFFAOYSA-N 0 0 415.518 5.584 50 0 HKAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000001116090 557187083 /nfs/dbraw/zinc/18/70/83/557187083.db2.gz ABGIPQSVLWVLPG-UHFFFAOYSA-N 0 0 413.832 5.097 50 0 HKAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn12 ZINC000001116186 557187107 /nfs/dbraw/zinc/18/71/07/557187107.db2.gz NQUUMCLJYZSKEM-UHFFFAOYSA-N 0 0 411.490 5.081 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000001116192 569277371 /nfs/dbraw/zinc/27/73/71/569277371.db2.gz KXDYEHJJVPHYIX-UHFFFAOYSA-N 0 0 422.218 5.171 50 0 HKAARN CCOC(=O)c1cc(C)sc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000001116232 557187185 /nfs/dbraw/zinc/18/71/85/557187185.db2.gz PBNWAEBMZJZQJJ-UHFFFAOYSA-N 0 0 414.335 6.007 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)c3ccccc3n2)cc1 ZINC000001116267 557187079 /nfs/dbraw/zinc/18/70/79/557187079.db2.gz LLFJJFARKQJVQB-UHFFFAOYSA-N 0 0 414.461 5.180 50 0 HKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3csc4c3CCCC4)c2C(N)=O)c1 ZINC000001116281 557187116 /nfs/dbraw/zinc/18/71/16/557187116.db2.gz ZZJGFLKOSMFETL-UHFFFAOYSA-N 0 0 410.564 5.323 50 0 HKAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3cccs3)c2C(=O)OC(C)C)c1 ZINC000001116478 557187487 /nfs/dbraw/zinc/18/74/87/557187487.db2.gz UGXTZQYSYIBDNP-UHFFFAOYSA-N 0 0 413.564 5.840 50 0 HKAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000001116519 557187603 /nfs/dbraw/zinc/18/76/03/557187603.db2.gz GBLDRYDDABVMJJ-UHFFFAOYSA-N 0 0 413.304 5.356 50 0 HKAARN CCOc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc(OCC)c1OCC ZINC000001116578 557187566 /nfs/dbraw/zinc/18/75/66/557187566.db2.gz HBKVCRLTLIDUHY-UHFFFAOYSA-N 0 0 420.918 5.398 50 0 HKAARN S=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000001116589 557187570 /nfs/dbraw/zinc/18/75/70/557187570.db2.gz 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ZINC000001117062 132237809 /nfs/dbraw/zinc/23/78/09/132237809.db2.gz PAYXOMXDNKRMJG-UHFFFAOYSA-N 0 0 424.466 5.186 50 0 HKAARN CCOC(=O)c1c(CSc2cccc3cccnc32)nc2c3ccccc3ccn21 ZINC000001117101 557187775 /nfs/dbraw/zinc/18/77/75/557187775.db2.gz JELWPOZRNQPVTQ-UHFFFAOYSA-N 0 0 413.502 5.505 50 0 HKAARN Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000001117166 557188101 /nfs/dbraw/zinc/18/81/01/557188101.db2.gz LRAAWPPINWHXPY-UHFFFAOYSA-N 0 0 420.321 5.615 50 0 HKAARN Cc1oc2cc(CC(=O)Nc3ccc(F)cc3F)ccc2c(=O)c1-c1ccccc1F ZINC000001117183 557188105 /nfs/dbraw/zinc/18/81/05/557188105.db2.gz QZNBSVNFHLCTPJ-UHFFFAOYSA-N 0 0 423.390 5.367 50 0 HKAARN O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001117212 557188091 /nfs/dbraw/zinc/18/80/91/557188091.db2.gz XQFOHCNQQNUHDN-VAWYXSNFSA-N 0 0 400.356 5.203 50 0 HKAARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001117223 557188161 /nfs/dbraw/zinc/18/81/61/557188161.db2.gz VGMWTLAMBMOXPA-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000001117259 557188108 /nfs/dbraw/zinc/18/81/08/557188108.db2.gz FBJVWZOWYHDXLV-UHFFFAOYSA-N 0 0 424.888 5.097 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1ccccc1 ZINC000001117301 557188143 /nfs/dbraw/zinc/18/81/43/557188143.db2.gz KVQXQIZDXZYHKQ-UHFFFAOYSA-N 0 0 400.503 5.417 50 0 HKAARN CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc12 ZINC000001117331 557188124 /nfs/dbraw/zinc/18/81/24/557188124.db2.gz KBEBHOKYWPENEF-UHFFFAOYSA-N 0 0 411.668 5.577 50 0 HKAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000001117460 557188420 /nfs/dbraw/zinc/18/84/20/557188420.db2.gz GKYVMZTWQYFNQG-UHFFFAOYSA-N 0 0 417.292 6.100 50 0 HKAARN O=C1c2ccc(Oc3ccc(Br)cc3)cc2C(=O)N1c1ccc(F)cc1 ZINC000001117796 557188415 /nfs/dbraw/zinc/18/84/15/557188415.db2.gz KKQHWQITYAFUTM-UHFFFAOYSA-N 0 0 412.214 5.181 50 0 HKAARN Cc1cccc(C)c1NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCCC3 ZINC000001117973 557188724 /nfs/dbraw/zinc/18/87/24/557188724.db2.gz 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557189024 /nfs/dbraw/zinc/18/90/24/557189024.db2.gz ZQLAEPOYBHSXNF-UHFFFAOYSA-N 0 0 417.130 5.897 50 0 HKAARN COc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000001118418 560728147 /nfs/dbraw/zinc/72/81/47/560728147.db2.gz GGYDBOSQGHCMQS-UHFFFAOYSA-N 0 0 407.249 5.384 50 0 HKAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000001118466 557189047 /nfs/dbraw/zinc/18/90/47/557189047.db2.gz XTSCSWWYZVXTME-UHFFFAOYSA-N 0 0 412.536 5.698 50 0 HKAARN Cc1cccc(C2=N/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)O2)c1 ZINC000001118583 569277287 /nfs/dbraw/zinc/27/72/87/569277287.db2.gz IQPBLBRZAVCLAX-JJIBRWJFSA-N 0 0 422.484 5.373 50 0 HKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1C ZINC000001118604 568771112 /nfs/dbraw/zinc/77/11/12/568771112.db2.gz ZQZHJDVABPUGSY-XMMPIXPASA-N 0 0 412.441 5.191 50 0 HKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1C ZINC000001118606 568771156 /nfs/dbraw/zinc/77/11/56/568771156.db2.gz ZQZHJDVABPUGSY-DEOSSOPVSA-N 0 0 412.441 5.191 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)c(C)c2oc1=O ZINC000001118685 557189234 /nfs/dbraw/zinc/18/92/34/557189234.db2.gz MQAKLZNRPLQBCE-UHFFFAOYSA-N 0 0 421.276 5.011 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1OC ZINC000001118786 557189256 /nfs/dbraw/zinc/18/92/56/557189256.db2.gz LRRNNNMNXTZYQD-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccccc2Br)n1 ZINC000001118812 557189356 /nfs/dbraw/zinc/18/93/56/557189356.db2.gz WJAHXFIMYLARCL-UHFFFAOYSA-N 0 0 422.282 5.545 50 0 HKAARN Cc1ccccc1C1=N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000001118819 557189311 /nfs/dbraw/zinc/18/93/11/557189311.db2.gz SPSRNQCDWTZSPR-LDADJPATSA-N 0 0 408.251 5.362 50 0 HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(Cl)c3)c(C)c2oc1=O ZINC000001118985 569060273 /nfs/dbraw/zinc/06/02/73/569060273.db2.gz NAOBRURQHWEYTO-UHFFFAOYSA-N 0 0 414.885 5.138 50 0 biogenic HKAARN CCOc1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)sc2c1 ZINC000001119028 557189362 /nfs/dbraw/zinc/18/93/62/557189362.db2.gz IMKNQTDWBUXRMU-UHFFFAOYSA-N 0 0 417.490 5.200 50 0 HKAARN C=Cc1ccc(COc2ccc3c(C)c(CCC(=O)OCC)c(=O)oc3c2C)cc1 ZINC000001119038 569060290 /nfs/dbraw/zinc/06/02/90/569060290.db2.gz WHAKVFNUYGQSHE-UHFFFAOYSA-N 0 0 406.478 5.128 50 0 biogenic HKAARN Cc1cc(NC(=S)NCc2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1 ZINC000001119110 557189582 /nfs/dbraw/zinc/18/95/82/557189582.db2.gz BIVMNWWPNSJTNQ-UHFFFAOYSA-N 0 0 405.354 5.033 50 0 HKAARN Cc1cc(NC(=O)c2ccc3ccccc3c2)c(C)cc1I ZINC000001119241 557189591 /nfs/dbraw/zinc/18/95/91/557189591.db2.gz BGTFLQYOTBNKRG-UHFFFAOYSA-N 0 0 401.247 5.314 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000001119267 557189609 /nfs/dbraw/zinc/18/96/09/557189609.db2.gz OBTWZDBYUMNPBF-UHFFFAOYSA-N 0 0 408.866 5.598 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000001119305 557189621 /nfs/dbraw/zinc/18/96/21/557189621.db2.gz CUNUNCZOZYNBKG-UHFFFAOYSA-N 0 0 411.870 5.381 50 0 HKAARN CCOC(=O)c1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001119343 557189613 /nfs/dbraw/zinc/18/96/13/557189613.db2.gz YSUGLSOVUPKOQM-UHFFFAOYSA-N 0 0 403.718 5.632 50 0 HKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(Br)c1 ZINC000001119373 557189771 /nfs/dbraw/zinc/18/97/71/557189771.db2.gz QBXUSZMFLBPEIR-UHFFFAOYSA-N 0 0 405.144 5.628 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000001119495 557189820 /nfs/dbraw/zinc/18/98/20/557189820.db2.gz PWESGKDSSWLWDL-UHFFFAOYSA-N 0 0 410.926 5.843 50 0 HKAARN O=C(CSc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001119741 557189868 /nfs/dbraw/zinc/18/98/68/557189868.db2.gz PIBRZGKHUUGTLG-UHFFFAOYSA-N 0 0 424.669 5.852 50 0 HKAARN CCc1ccccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000001119811 557190248 /nfs/dbraw/zinc/19/02/48/557190248.db2.gz UVBIVGWEENCNPY-UHFFFAOYSA-N 0 0 422.278 5.604 50 0 HKAARN COc1cc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC)cc1Cl ZINC000001119911 557190320 /nfs/dbraw/zinc/19/03/20/557190320.db2.gz FYSMOEOZZBNLFA-UHFFFAOYSA-N 0 0 420.090 5.417 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC(F)F)c1 ZINC000001119955 557190332 /nfs/dbraw/zinc/19/03/32/557190332.db2.gz MREKHOGOQCACTJ-UHFFFAOYSA-N 0 0 405.626 5.656 50 0 HKAARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC000001119972 132238009 /nfs/dbraw/zinc/23/80/09/132238009.db2.gz KINDIRUVCCAKDO-UHFFFAOYSA-N 0 0 414.789 5.474 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000001120058 557190391 /nfs/dbraw/zinc/19/03/91/557190391.db2.gz WLZMCCGSEYOXGJ-UHFFFAOYSA-N 0 0 409.248 5.030 50 0 HKAARN Cc1cc(OC(F)F)ccc1NC(=O)Nc1ccc(Br)cc1Cl ZINC000001120097 557190297 /nfs/dbraw/zinc/19/02/97/557190297.db2.gz CZSPLUIJAXWFIZ-UHFFFAOYSA-N 0 0 405.626 5.656 50 0 HKAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(c4ccccc4Cl)OC3=O)o2)cc1 ZINC000001120177 569277338 /nfs/dbraw/zinc/27/73/38/569277338.db2.gz DJWLSDMYLSTQPP-CPNJWEJPSA-N 0 0 421.836 5.121 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001120251 132238019 /nfs/dbraw/zinc/23/80/19/132238019.db2.gz 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557192008 /nfs/dbraw/zinc/19/20/08/557192008.db2.gz HKDHSBVYMNGADE-UHFFFAOYSA-N 0 0 406.507 5.058 50 0 HKAARN O=S(=O)(Nc1ccccc1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000001122199 557192024 /nfs/dbraw/zinc/19/20/24/557192024.db2.gz YFRODVHLOLDLNU-UHFFFAOYSA-N 0 0 404.285 5.042 50 0 HKAARN CCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)cc(OCC)c1OCC ZINC000001122348 557192044 /nfs/dbraw/zinc/19/20/44/557192044.db2.gz VTKUCWMKLPGRCU-UHFFFAOYSA-N 0 0 405.494 5.802 50 0 HKAARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000001122420 557192428 /nfs/dbraw/zinc/19/24/28/557192428.db2.gz XHPLIDQDYLIRNB-UHFFFAOYSA-N 0 0 413.351 5.307 50 0 HKAARN Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 ZINC000001122457 557192465 /nfs/dbraw/zinc/19/24/65/557192465.db2.gz JOUWHNBCOCTIEQ-UHFFFAOYSA-N 0 0 408.914 5.020 50 0 HKAARN CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000001122597 569277299 /nfs/dbraw/zinc/27/72/99/569277299.db2.gz BUNVTEPAAUSWJB-UHFFFAOYSA-N 0 0 419.864 5.060 50 0 HKAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000001122654 557192315 /nfs/dbraw/zinc/19/23/15/557192315.db2.gz RGRAJKWXNUNYRI-UHFFFAOYSA-N 0 0 411.299 5.004 50 0 HKAARN CCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001122682 557192396 /nfs/dbraw/zinc/19/23/96/557192396.db2.gz GGHMKUBLTQFWRR-UHFFFAOYSA-N 0 0 400.434 5.018 50 0 HKAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001122764 557192288 /nfs/dbraw/zinc/19/22/88/557192288.db2.gz CVFCDDYQVVVNRK-UHFFFAOYSA-N 0 0 417.534 5.075 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 ZINC000001122809 557192802 /nfs/dbraw/zinc/19/28/02/557192802.db2.gz WZMNDGBHNBFJQD-UHFFFAOYSA-N 0 0 413.227 5.111 50 0 HKAARN Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccs2)c1C ZINC000001122818 557192695 /nfs/dbraw/zinc/19/26/95/557192695.db2.gz BWYXERKZNULMMA-UHFFFAOYSA-N 0 0 405.548 5.588 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000001122861 557192758 /nfs/dbraw/zinc/19/27/58/557192758.db2.gz 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/nfs/dbraw/zinc/19/31/50/557193150.db2.gz XUCWAQJLABOECW-UHFFFAOYSA-N 0 0 408.480 5.729 50 0 HKAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)S3)cc1 ZINC000001123336 557193028 /nfs/dbraw/zinc/19/30/28/557193028.db2.gz OFMWMMDTVXRKLC-HNNXBMFYSA-N 0 0 406.294 5.138 50 0 HKAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)S3)cc1 ZINC000001123337 557193115 /nfs/dbraw/zinc/19/31/15/557193115.db2.gz OFMWMMDTVXRKLC-OAHLLOKOSA-N 0 0 406.294 5.138 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c(C)c1 ZINC000001123342 557193134 /nfs/dbraw/zinc/19/31/34/557193134.db2.gz RFJBOXILXRCHQF-QFIPXVFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c(C)c1 ZINC000001123344 557193070 /nfs/dbraw/zinc/19/30/70/557193070.db2.gz RFJBOXILXRCHQF-JOCHJYFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000001123380 557193074 /nfs/dbraw/zinc/19/30/74/557193074.db2.gz OPWAERDUZZXRIR-UHFFFAOYSA-N 0 0 403.429 5.202 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@@H](C)Cc2ccccc2)n1)CC(C)(C)OC4 ZINC000001123440 557193093 /nfs/dbraw/zinc/19/30/93/557193093.db2.gz BMFIKSXBIPTDIP-AWEZNQCLSA-N 0 0 418.566 5.442 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@H](C)Cc2ccccc2)n1)CC(C)(C)OC4 ZINC000001123441 557193057 /nfs/dbraw/zinc/19/30/57/557193057.db2.gz BMFIKSXBIPTDIP-CQSZACIVSA-N 0 0 418.566 5.442 50 0 HKAARN Cc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)c1 ZINC000001123507 132238225 /nfs/dbraw/zinc/23/82/25/132238225.db2.gz XNGXCSMKZJPNSE-UHFFFAOYSA-N 0 0 413.521 5.490 50 0 HKAARN COc1ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1C ZINC000001123530 557193484 /nfs/dbraw/zinc/19/34/84/557193484.db2.gz RAIBCXOEETXPDG-UHFFFAOYSA-N 0 0 416.355 5.107 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=S)NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000001123535 557193532 /nfs/dbraw/zinc/19/35/32/557193532.db2.gz JRWYZYQRKHOZNP-NTCAYCPXSA-N 0 0 418.566 5.139 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Br ZINC000001123583 557193516 /nfs/dbraw/zinc/19/35/16/557193516.db2.gz KFVHOFPQWUSGHD-UHFFFAOYSA-N 0 0 418.143 5.191 50 0 HKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000001123672 557193451 /nfs/dbraw/zinc/19/34/51/557193451.db2.gz NBAMQCULKHVMPS-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc(C(=O)CSc3nc4ccccc4o3)cc2)cc1 ZINC000001123695 557193442 /nfs/dbraw/zinc/19/34/42/557193442.db2.gz XPBUVOMVSSIZFP-UHFFFAOYSA-N 0 0 403.459 5.330 50 0 HKAARN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000001123697 560728132 /nfs/dbraw/zinc/72/81/32/560728132.db2.gz HAKIEIFZEVPAJO-UHFFFAOYSA-N 0 0 421.305 5.394 50 0 HKAARN CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000001123731 557193479 /nfs/dbraw/zinc/19/34/79/557193479.db2.gz AIQMTCSQOXUDOP-UHFFFAOYSA-N 0 0 422.337 5.661 50 0 HKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000001123771 557193526 /nfs/dbraw/zinc/19/35/26/557193526.db2.gz HGJGMQKGOKBJJA-UNMCSNQZSA-N 0 0 409.533 5.783 50 0 HKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000001123774 557193462 /nfs/dbraw/zinc/19/34/62/557193462.db2.gz HGJGMQKGOKBJJA-RBBKRZOGSA-N 0 0 409.533 5.783 50 0 HKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000001123776 557193554 /nfs/dbraw/zinc/19/35/54/557193554.db2.gz HGJGMQKGOKBJJA-IRLDBZIGSA-N 0 0 409.533 5.783 50 0 HKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000001123780 557193466 /nfs/dbraw/zinc/19/34/66/557193466.db2.gz HGJGMQKGOKBJJA-IFMALSPDSA-N 0 0 409.533 5.783 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cncc(Br)c1 ZINC000001123781 557193502 /nfs/dbraw/zinc/19/35/02/557193502.db2.gz VWJMZIBPHPFCQD-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN Clc1cccc(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)c1Cl ZINC000001123813 557193717 /nfs/dbraw/zinc/19/37/17/557193717.db2.gz OBABFHXTXVDWDB-UHFFFAOYSA-N 0 0 403.250 5.680 50 0 HKAARN COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1 ZINC000001123830 557193724 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COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1Cl ZINC000001124039 557193745 /nfs/dbraw/zinc/19/37/45/557193745.db2.gz YNHMPKGOZWNOLZ-UHFFFAOYSA-N 0 0 420.690 5.282 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)o2)cc1 ZINC000001124095 557193768 /nfs/dbraw/zinc/19/37/68/557193768.db2.gz YQMMHTGGFPLERY-UHFFFAOYSA-N 0 0 417.534 5.668 50 0 HKAARN CCOc1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000001124118 557193750 /nfs/dbraw/zinc/19/37/50/557193750.db2.gz QZWFOAWHRPQNPA-UHFFFAOYSA-N 0 0 400.272 5.019 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001124124 557194063 /nfs/dbraw/zinc/19/40/63/557194063.db2.gz QIHYOFYYSVJENB-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000001124169 557194061 /nfs/dbraw/zinc/19/40/61/557194061.db2.gz UOMPKLKYDMSSJU-UHFFFAOYSA-N 0 0 422.912 5.535 50 0 HKAARN CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 ZINC000001124181 557194108 /nfs/dbraw/zinc/19/41/08/557194108.db2.gz 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C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000001125493 557194960 /nfs/dbraw/zinc/19/49/60/557194960.db2.gz PGSZAYONWINNDI-SECBINFHSA-N 0 0 413.326 5.011 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OC(=O)C3CCCCC3)ccc2c1=O ZINC000001125615 568772841 /nfs/dbraw/zinc/77/28/41/568772841.db2.gz SDIAYXDPZTWMHF-UHFFFAOYSA-N 0 0 408.450 5.470 50 0 HKAARN COc1ccc(-c2cc(C(=O)OCc3ccc(C(C)=O)cc3)c3ccccc3n2)cc1 ZINC000001125622 557195273 /nfs/dbraw/zinc/19/52/73/557195273.db2.gz RLOYCYZYNMQFKC-UHFFFAOYSA-N 0 0 411.457 5.470 50 0 HKAARN COc1ccccc1-c1cc(-c2ccccc2)nc2sc(C(=O)NC3CC3)c(N)c21 ZINC000001126027 557195244 /nfs/dbraw/zinc/19/52/44/557195244.db2.gz DVTNHSGNWBNTKF-UHFFFAOYSA-N 0 0 415.518 5.113 50 0 HKAARN O=C(CCc1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000001126167 557195260 /nfs/dbraw/zinc/19/52/60/557195260.db2.gz RLRYOTBNEBLZIE-UHFFFAOYSA-N 0 0 417.559 5.409 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000001126230 557195566 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CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000001126940 557195900 /nfs/dbraw/zinc/19/59/00/557195900.db2.gz SAOCFPQUBTVQRK-UHFFFAOYSA-N 0 0 422.337 5.232 50 0 HKAARN Clc1ccc(Oc2ncnc3c2ncn3Cc2c(Cl)cccc2Cl)cc1 ZINC000001127347 558775369 /nfs/dbraw/zinc/77/53/69/558775369.db2.gz MWWIAQRDZBZFEV-UHFFFAOYSA-N 0 0 405.672 5.627 50 0 HKAARN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000001127397 557196094 /nfs/dbraw/zinc/19/60/94/557196094.db2.gz OFRSAXITGDZNNB-UHFFFAOYSA-N 0 0 415.518 5.018 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccccc1)C(=O)C2 ZINC000001127426 132238239 /nfs/dbraw/zinc/23/82/39/132238239.db2.gz CRDBPHZCALAKKF-AREMUKBSSA-N 0 0 417.505 5.171 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccccc1)C(=O)C2 ZINC000001127429 132238177 /nfs/dbraw/zinc/23/81/77/132238177.db2.gz CRDBPHZCALAKKF-SANMLTNESA-N 0 0 417.505 5.171 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000001127451 519782513 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CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000001128119 557196586 /nfs/dbraw/zinc/19/65/86/557196586.db2.gz YNBKATZRXBAQEY-UHFFFAOYSA-N 0 0 424.570 5.040 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C)c2)cc1OC ZINC000001128272 557196668 /nfs/dbraw/zinc/19/66/68/557196668.db2.gz WWKKDQYDLJSVPU-UHFFFAOYSA-N 0 0 413.477 5.117 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)cc1C ZINC000001128321 557196636 /nfs/dbraw/zinc/19/66/36/557196636.db2.gz BENSQJQLSVZQEB-UHFFFAOYSA-N 0 0 421.353 5.137 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000001128397 557196664 /nfs/dbraw/zinc/19/66/64/557196664.db2.gz SRVCLKCHEUYHEK-UHFFFAOYSA-N 0 0 416.924 5.268 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000001128606 557196963 /nfs/dbraw/zinc/19/69/63/557196963.db2.gz MYVCMQCWLIHOQX-UHFFFAOYSA-N 0 0 417.968 5.951 50 0 HKAARN COc1ccc2c(Cl)c(C(=O)NC(=S)NCCC3=CCCCC3)sc2c1 ZINC000001128690 525503345 /nfs/dbraw/zinc/50/33/45/525503345.db2.gz 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/nfs/dbraw/zinc/19/71/79/557197179.db2.gz BCCVPFCODDCDPC-UHFFFAOYSA-N 0 0 421.349 5.715 50 0 HKAARN Clc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000001129262 557197238 /nfs/dbraw/zinc/19/72/38/557197238.db2.gz QUQFLWVPHSPLBU-XZOQPEGZSA-N 0 0 416.912 5.657 50 0 HKAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000001129263 557197156 /nfs/dbraw/zinc/19/71/56/557197156.db2.gz QUQFLWVPHSPLBU-GOTSBHOMSA-N 0 0 416.912 5.657 50 0 HKAARN Clc1ccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000001129266 557197112 /nfs/dbraw/zinc/19/71/12/557197112.db2.gz QUQFLWVPHSPLBU-DHIUTWEWSA-N 0 0 416.912 5.657 50 0 HKAARN Clc1ccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000001129268 557197213 /nfs/dbraw/zinc/19/72/13/557197213.db2.gz QUQFLWVPHSPLBU-PKTZIBPZSA-N 0 0 416.912 5.657 50 0 HKAARN COC(=O)[C@@H](Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12)c1ccccc1 ZINC000001129420 557197123 /nfs/dbraw/zinc/19/71/23/557197123.db2.gz KWORWZXPOLTQEB-DEOSSOPVSA-N 0 0 400.430 5.062 50 0 HKAARN COC(=O)[C@H](Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12)c1ccccc1 ZINC000001129422 557197104 /nfs/dbraw/zinc/19/71/04/557197104.db2.gz KWORWZXPOLTQEB-XMMPIXPASA-N 0 0 400.430 5.062 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2OC)cc1 ZINC000001129432 557197117 /nfs/dbraw/zinc/19/71/17/557197117.db2.gz HYZCWRAMEYKYGO-QFIPXVFZSA-N 0 0 403.478 5.298 50 0 HKAARN CCOC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2OC)cc1 ZINC000001129434 557197131 /nfs/dbraw/zinc/19/71/31/557197131.db2.gz HYZCWRAMEYKYGO-JOCHJYFZSA-N 0 0 403.478 5.298 50 0 HKAARN O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000001129544 568773094 /nfs/dbraw/zinc/77/30/94/568773094.db2.gz LGFQLVUDQRVTIG-LFIBNONCSA-N 0 0 421.305 5.059 50 0 HKAARN O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000001129545 557197201 /nfs/dbraw/zinc/19/72/01/557197201.db2.gz LGFQLVUDQRVTIG-WJDWOHSUSA-N 0 0 421.305 5.059 50 0 HKAARN CCOc1ccccc1NC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000001129550 557197501 /nfs/dbraw/zinc/19/75/01/557197501.db2.gz HQEQBKQEQYEGBC-UHFFFAOYSA-N 0 0 422.435 5.293 50 0 HKAARN COc1ccccc1Oc1coc2cc(OC(=O)/C=C/c3ccccc3)ccc2c1=O ZINC000001129562 568773031 /nfs/dbraw/zinc/77/30/31/568773031.db2.gz JKLGXEIPGBSGGK-SDNWHVSQSA-N 0 0 414.413 5.213 50 0 biogenic HKAARN COc1cc2c(cc1OC)C(c1ccc(-c3cc(Cl)ccc3Cl)o1)=NCC2 ZINC000001129574 569060342 /nfs/dbraw/zinc/06/03/42/569060342.db2.gz LPMYLFIYAGPCAG-UHFFFAOYSA-N 0 0 402.277 5.664 50 0 biogenic HKAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000001129668 557197492 /nfs/dbraw/zinc/19/74/92/557197492.db2.gz MHZUJJPGVZRSLZ-UHFFFAOYSA-N 0 0 405.763 6.039 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1F ZINC000001130061 557197580 /nfs/dbraw/zinc/19/75/80/557197580.db2.gz ODQSAUOOIFOHHU-UHFFFAOYSA-N 0 0 404.441 6.018 50 0 HKAARN CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000001130204 557197592 /nfs/dbraw/zinc/19/75/92/557197592.db2.gz UIWNNRWJAVZFAK-UHFFFAOYSA-N 0 0 410.583 5.197 50 0 HKAARN COc1ccccc1[C@@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccc(OC(C)C)cc1 ZINC000001130424 557197821 /nfs/dbraw/zinc/19/78/21/557197821.db2.gz LMNIDDNBRJVNKK-VWLOTQADSA-N 0 0 417.549 6.260 50 0 HKAARN COc1ccccc1[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccc(OC(C)C)cc1 ZINC000001130425 557197766 /nfs/dbraw/zinc/19/77/66/557197766.db2.gz LMNIDDNBRJVNKK-RUZDIDTESA-N 0 0 417.549 6.260 50 0 HKAARN Fc1ccc(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1 ZINC000001130457 132238410 /nfs/dbraw/zinc/23/84/10/132238410.db2.gz GMHRDQRBKRFQHJ-UHFFFAOYSA-N 0 0 406.530 5.088 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c1=O ZINC000001130559 568773686 /nfs/dbraw/zinc/77/36/86/568773686.db2.gz YQUVENFJVFAHMC-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccccc1 ZINC000001130577 557197780 /nfs/dbraw/zinc/19/77/80/557197780.db2.gz OFEMLGWYKYEXEZ-OAQYLSRUSA-N 0 0 423.468 5.542 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccccc1 ZINC000001130579 557197800 /nfs/dbraw/zinc/19/78/00/557197800.db2.gz OFEMLGWYKYEXEZ-NRFANRHFSA-N 0 0 423.468 5.542 50 0 HKAARN O=S(=O)(NC[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001130707 557197855 /nfs/dbraw/zinc/19/78/55/557197855.db2.gz PUJYBDFSAGWURC-HXUWFJFHSA-N 0 0 421.946 5.291 50 0 HKAARN O=S(=O)(NC[C@H](Sc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001130708 557197786 /nfs/dbraw/zinc/19/77/86/557197786.db2.gz PUJYBDFSAGWURC-FQEVSTJZSA-N 0 0 421.946 5.291 50 0 HKAARN Cc1cc2ccccc2n2c(SCCC(=O)Nc3ccc(C(C)(C)C)cc3)nnc12 ZINC000001130777 557198218 /nfs/dbraw/zinc/19/82/18/557198218.db2.gz YJLUOHDQVZLZKM-UHFFFAOYSA-N 0 0 418.566 5.609 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 ZINC000001130787 557198192 /nfs/dbraw/zinc/19/81/92/557198192.db2.gz NYUDKXVFJMQRAH-CQSZACIVSA-N 0 0 419.506 5.728 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 ZINC000001130788 557198169 /nfs/dbraw/zinc/19/81/69/557198169.db2.gz NYUDKXVFJMQRAH-AWEZNQCLSA-N 0 0 419.506 5.728 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccccc3)ccc2c1=O ZINC000001130790 568773663 /nfs/dbraw/zinc/77/36/63/568773663.db2.gz DUFCJTBQQGEFAI-UHFFFAOYSA-N 0 0 402.402 5.122 50 0 biogenic HKAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001130914 557198226 /nfs/dbraw/zinc/19/82/26/557198226.db2.gz UONCNQPGYFHELI-UHFFFAOYSA-N 0 0 413.808 5.140 50 0 HKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000001131123 557198122 /nfs/dbraw/zinc/19/81/22/557198122.db2.gz QUKREEUXOQPPGK-UHFFFAOYSA-N 0 0 413.564 5.487 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)c1ccccc1 ZINC000001131290 557198523 /nfs/dbraw/zinc/19/85/23/557198523.db2.gz CDGDGRSZZZENEO-UHFFFAOYSA-N 0 0 418.802 5.863 50 0 HKAARN CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000001131493 557198511 /nfs/dbraw/zinc/19/85/11/557198511.db2.gz TUFMBJWQYDJHAC-UHFFFAOYSA-N 0 0 404.944 5.107 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OCC(=O)c3ccccc3)ccc2c1=O ZINC000001131526 568773713 /nfs/dbraw/zinc/77/37/13/568773713.db2.gz HTSQYMGIONMSLQ-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN O=C1NC(=Cc2ccc(Sc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000001131575 557198811 /nfs/dbraw/zinc/19/88/11/557198811.db2.gz XSBKKEDZHGDPIF-DEDYPNTBSA-N 0 0 406.894 5.589 50 0 HKAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001131754 557198732 /nfs/dbraw/zinc/19/87/32/557198732.db2.gz WBJHLNXVJMQQNE-UHFFFAOYSA-N 0 0 404.775 5.111 50 0 HKAARN O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)NCCc1ccccc1 ZINC000001131810 557198772 /nfs/dbraw/zinc/19/87/72/557198772.db2.gz PXQJYLALBJPERX-FQEVSTJZSA-N 0 0 424.338 5.036 50 0 HKAARN O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)NCCc1ccccc1 ZINC000001131811 557198684 /nfs/dbraw/zinc/19/86/84/557198684.db2.gz PXQJYLALBJPERX-HXUWFJFHSA-N 0 0 424.338 5.036 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cc4ccccc4cc3OC)n2)cc1C ZINC000001132157 557199002 /nfs/dbraw/zinc/19/90/02/557199002.db2.gz DKKZWOZWYNBLGC-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001132295 557199098 /nfs/dbraw/zinc/19/90/98/557199098.db2.gz IGFBJVAXMPVPLG-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)cc1 ZINC000001132361 557198988 /nfs/dbraw/zinc/19/89/88/557198988.db2.gz LLVQUYKGHJEGBV-UHFFFAOYSA-N 0 0 412.827 5.548 50 0 HKAARN COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1NC(=O)C(C)C ZINC000001132428 560727245 /nfs/dbraw/zinc/72/72/45/560727245.db2.gz AOUVTMRITWIWBW-UHFFFAOYSA-N 0 0 418.493 5.121 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)ccc4F)c3n2)cc1 ZINC000001132540 557199406 /nfs/dbraw/zinc/19/94/06/557199406.db2.gz GOKXGOZMDGLLIN-UHFFFAOYSA-N 0 0 410.399 5.342 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000001132575 557199305 /nfs/dbraw/zinc/19/93/05/557199305.db2.gz QUJBQXPKUYBRII-JTQLQIEISA-N 0 0 400.331 5.299 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000001132577 557199402 /nfs/dbraw/zinc/19/94/02/557199402.db2.gz QUJBQXPKUYBRII-SNVBAGLBSA-N 0 0 400.331 5.299 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1Br ZINC000001133051 557199665 /nfs/dbraw/zinc/19/96/65/557199665.db2.gz OAVWNMVVZQBVHA-UHFFFAOYSA-N 0 0 421.291 5.281 50 0 HKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000001133070 557199751 /nfs/dbraw/zinc/19/97/51/557199751.db2.gz HJMUAPLQBJKZHM-GOSISDBHSA-N 0 0 402.494 5.470 50 0 HKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000001133072 557199735 /nfs/dbraw/zinc/19/97/35/557199735.db2.gz HJMUAPLQBJKZHM-SFHVURJKSA-N 0 0 402.494 5.470 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000001133100 557199655 /nfs/dbraw/zinc/19/96/55/557199655.db2.gz HWYPSPWAGHBWJH-UHFFFAOYSA-N 0 0 412.961 5.437 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000001133208 557199677 /nfs/dbraw/zinc/19/96/77/557199677.db2.gz WHJOZMXXRUPYBT-UHFFFAOYSA-N 0 0 414.552 5.129 50 0 HKAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1 ZINC000001133309 557199697 /nfs/dbraw/zinc/19/96/97/557199697.db2.gz CAZTUEBDNROAGB-UHFFFAOYSA-N 0 0 403.526 5.200 50 0 HKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001133473 557200007 /nfs/dbraw/zinc/20/00/07/557200007.db2.gz XBRGCQMJTZZKPP-UHFFFAOYSA-N 0 0 424.953 5.142 50 0 HKAARN COc1ccccc1N1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2OC)C1=O ZINC000001133552 557199907 /nfs/dbraw/zinc/19/99/07/557199907.db2.gz SEPITIBUYDJUDH-NVNXTCNLSA-N 0 0 410.278 5.252 50 0 HKAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)c3ccccc32)cc1 ZINC000001133872 557199993 /nfs/dbraw/zinc/19/99/93/557199993.db2.gz IKPRWUPOIQWIMQ-UHFFFAOYSA-N 0 0 415.518 5.426 50 0 HKAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000001133951 557200017 /nfs/dbraw/zinc/20/00/17/557200017.db2.gz QIDRWDXLGBFWPG-UHFFFAOYSA-N 0 0 401.871 5.136 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C ZINC000001134071 557200180 /nfs/dbraw/zinc/20/01/80/557200180.db2.gz DYIZVLICIXVOKC-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 ZINC000001134143 568773644 /nfs/dbraw/zinc/77/36/44/568773644.db2.gz VUMJRCUPVNZVMD-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN COc1ccc2c(c1)Cc1sc(NC(=O)C(c3ccccc3)c3ccccc3)nc1-2 ZINC000001134243 557200287 /nfs/dbraw/zinc/20/02/87/557200287.db2.gz XYAQJMAMFOYTCM-UHFFFAOYSA-N 0 0 412.514 5.494 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001134507 557200607 /nfs/dbraw/zinc/20/06/07/557200607.db2.gz OJUCZIHKSIGGDZ-UHFFFAOYSA-N 0 0 424.953 5.043 50 0 HKAARN COc1ccccc1-c1coc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2c1=O ZINC000001134727 568773845 /nfs/dbraw/zinc/77/38/45/568773845.db2.gz UOIUBMFNHVIWOI-UHFFFAOYSA-N 0 0 420.848 5.384 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C)cc(C)n4)cc3)sc2c1 ZINC000001134818 557200588 /nfs/dbraw/zinc/20/05/88/557200588.db2.gz TVVNUNXQLVZCTE-UHFFFAOYSA-N 0 0 420.563 5.409 50 0 HKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(C)cc1 ZINC000001135064 557200816 /nfs/dbraw/zinc/20/08/16/557200816.db2.gz BPLVILCDJYQAEQ-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001135269 557200794 /nfs/dbraw/zinc/20/07/94/557200794.db2.gz DYDLSTGVABJFMC-UHFFFAOYSA-N 0 0 424.953 5.142 50 0 HKAARN CC(=O)Nc1ccc2nc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000001135347 557200785 /nfs/dbraw/zinc/20/07/85/557200785.db2.gz RWFLLBXEJXJIBI-CQSZACIVSA-N 0 0 413.568 5.299 50 0 HKAARN CC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000001135348 557200911 /nfs/dbraw/zinc/20/09/11/557200911.db2.gz RWFLLBXEJXJIBI-AWEZNQCLSA-N 0 0 413.568 5.299 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC2 ZINC000001135541 557201153 /nfs/dbraw/zinc/20/11/53/557201153.db2.gz PQTJMSKBSWXIJM-HSZRJFAPSA-N 0 0 404.535 5.048 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC2 ZINC000001135542 557201196 /nfs/dbraw/zinc/20/11/96/557201196.db2.gz PQTJMSKBSWXIJM-QHCPKHFHSA-N 0 0 404.535 5.048 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000001136109 557201096 /nfs/dbraw/zinc/20/10/96/557201096.db2.gz CDWKOJCHZWOXQC-UHFFFAOYSA-N 0 0 412.283 5.289 50 0 HKAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccc(Cl)c(C)c3)cc2)cc1 ZINC000001136215 568930481 /nfs/dbraw/zinc/93/04/81/568930481.db2.gz WWDLWJFVSVCFRC-UHFFFAOYSA-N 0 0 414.910 5.150 50 0 HKAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 ZINC000001136427 557201368 /nfs/dbraw/zinc/20/13/68/557201368.db2.gz RCNGTTRRNVYROS-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000001136443 557201489 /nfs/dbraw/zinc/20/14/89/557201489.db2.gz FOQZXRHMLCQMBJ-UHFFFAOYSA-N 0 0 413.926 5.183 50 0 HKAARN Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000001136844 557201429 /nfs/dbraw/zinc/20/14/29/557201429.db2.gz GURZZCMDKNOWJV-UHFFFAOYSA-N 0 0 412.533 5.461 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000001136852 557201748 /nfs/dbraw/zinc/20/17/48/557201748.db2.gz FXRGHTCCUAVZHI-UHFFFAOYSA-N 0 0 403.240 5.637 50 0 HKAARN CC(=O)Nc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2C)c1 ZINC000001136854 557201719 /nfs/dbraw/zinc/20/17/19/557201719.db2.gz QTYLYVRQPSMYKZ-UHFFFAOYSA-N 0 0 407.326 5.040 50 0 HKAARN Brc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1 ZINC000001136927 557201664 /nfs/dbraw/zinc/20/16/64/557201664.db2.gz MDTPPUDXKRNVFO-UHFFFAOYSA-N 0 0 400.301 5.197 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000001136928 557201700 /nfs/dbraw/zinc/20/17/00/557201700.db2.gz NVVYFIDIIUDBTO-UHFFFAOYSA-N 0 0 407.326 5.003 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1Br ZINC000001137404 557201988 /nfs/dbraw/zinc/20/19/88/557201988.db2.gz MUJPRFIRNNLEMX-UHFFFAOYSA-N 0 0 410.227 5.011 50 0 HKAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)cc1 ZINC000001137674 557202006 /nfs/dbraw/zinc/20/20/06/557202006.db2.gz SVIHVKJMBJFRKM-UHFFFAOYSA-N 0 0 421.570 5.139 50 0 HKAARN Cc1ccc(S[C@@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)cc1 ZINC000001137682 557201990 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50 0 HKAARN O=C(COc1ccccc1C(=O)Nc1ccccn1)Nc1ccccc1-c1ccccc1 ZINC000001141042 557203889 /nfs/dbraw/zinc/20/38/89/557203889.db2.gz GVCNMANJUOEVKB-UHFFFAOYSA-N 0 0 423.472 5.018 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccc4ccccc43)o2)c(C)c1 ZINC000001141065 557203832 /nfs/dbraw/zinc/20/38/32/557203832.db2.gz YAIUOOIYKSNKAT-UHFFFAOYSA-N 0 0 417.534 5.470 50 0 HKAARN CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 ZINC000001141068 557203857 /nfs/dbraw/zinc/20/38/57/557203857.db2.gz YHKXYOJZILVZPQ-UHFFFAOYSA-N 0 0 410.926 5.875 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)c1C ZINC000001141114 557204174 /nfs/dbraw/zinc/20/41/74/557204174.db2.gz CJJRUYXFGBAMMF-UHFFFAOYSA-N 0 0 420.582 5.798 50 0 HKAARN CCOc1ccc(N(C(=O)CC)c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 ZINC000001141161 557204039 /nfs/dbraw/zinc/20/40/39/557204039.db2.gz CEAHWHFBGFTSNH-UHFFFAOYSA-N 0 0 400.931 6.245 50 0 HKAARN CCC(=O)N(c1nc(-c2ccc(OC)cc2)c(CC)s1)c1ccc(Cl)cc1 ZINC000001141189 557204143 /nfs/dbraw/zinc/20/41/43/557204143.db2.gz FKIXYGLGCVCTGQ-UHFFFAOYSA-N 0 0 400.931 6.109 50 0 HKAARN COc1cc(NC(=O)c2ccc(C)c(C)c2)ccc1NC(=O)c1ccccc1Cl ZINC000001141203 557204194 /nfs/dbraw/zinc/20/41/94/557204194.db2.gz XKGUDQFNLINMFB-UHFFFAOYSA-N 0 0 408.885 5.470 50 0 HKAARN Fc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1 ZINC000001141215 557204086 /nfs/dbraw/zinc/20/40/86/557204086.db2.gz VTIQGDVIMPGECK-UHFFFAOYSA-N 0 0 415.497 5.097 50 0 HKAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000001141250 557204045 /nfs/dbraw/zinc/20/40/45/557204045.db2.gz UCEHEZHYZFZZKV-UHFFFAOYSA-N 0 0 422.484 6.292 50 0 HKAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)Nc1cc(C)ccc1C ZINC000001141271 557204168 /nfs/dbraw/zinc/20/41/68/557204168.db2.gz OEQQXWUFRQSOOY-UHFFFAOYSA-N 0 0 420.534 5.539 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000001141307 557204124 /nfs/dbraw/zinc/20/41/24/557204124.db2.gz PRQYQPZSVZHFEW-UHFFFAOYSA-N 0 0 416.521 5.697 50 0 HKAARN COc1ccc(N(C(=O)C2CCCCC2)c2nc(-c3ccccc3)c(C)s2)cc1 ZINC000001141314 557204104 /nfs/dbraw/zinc/20/41/04/557204104.db2.gz URUMYYRJZZBXEI-UHFFFAOYSA-N 0 0 406.551 6.372 50 0 HKAARN Cc1cc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2cc1C ZINC000001141327 557204029 /nfs/dbraw/zinc/20/40/29/557204029.db2.gz OAVHBNLQLRVKTB-UHFFFAOYSA-N 0 0 401.535 5.178 50 0 HKAARN Clc1cc2c(cc1[C@H]1Oc3ccccc3[C@@H]3CC(c4cccs4)=NN31)OCO2 ZINC000001141329 557204191 /nfs/dbraw/zinc/20/41/91/557204191.db2.gz NHSMQRNRPUSFLX-HRAATJIYSA-N 0 0 410.882 5.373 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)c1ccccc1Br ZINC000001141338 557204131 /nfs/dbraw/zinc/20/41/31/557204131.db2.gz UOSGLWBZDRGEHE-UHFFFAOYSA-N 0 0 413.246 5.093 50 0 HKAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000001141417 557204413 /nfs/dbraw/zinc/20/44/13/557204413.db2.gz RUVSDHQPXGTTNQ-RBUKOAKNSA-N 0 0 418.562 5.438 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 ZINC000001141418 557204354 /nfs/dbraw/zinc/20/43/54/557204354.db2.gz RUVSDHQPXGTTNQ-RTBURBONSA-N 0 0 418.562 5.438 50 0 HKAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 ZINC000001141419 557204373 /nfs/dbraw/zinc/20/43/73/557204373.db2.gz RUVSDHQPXGTTNQ-OALUTQOASA-N 0 0 418.562 5.438 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 ZINC000001141420 557204359 /nfs/dbraw/zinc/20/43/59/557204359.db2.gz RUVSDHQPXGTTNQ-MOPGFXCFSA-N 0 0 418.562 5.438 50 0 HKAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000001141469 557204420 /nfs/dbraw/zinc/20/44/20/557204420.db2.gz VLPCIWXUATTZRD-UHFFFAOYSA-N 0 0 406.825 5.326 50 0 HKAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2Cl)cc1C ZINC000001141577 557204360 /nfs/dbraw/zinc/20/43/60/557204360.db2.gz DSYLBYXNEBYKMT-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000001141631 557204639 /nfs/dbraw/zinc/20/46/39/557204639.db2.gz GQJBVTAOVNVGLJ-UHFFFAOYSA-N 0 0 407.926 5.755 50 0 HKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000001141782 557204692 /nfs/dbraw/zinc/20/46/92/557204692.db2.gz OFSVLEFMNRGRNN-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 ZINC000001141935 557204618 /nfs/dbraw/zinc/20/46/18/557204618.db2.gz WERGWFCQTCUSOW-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O ZINC000001141951 557204677 /nfs/dbraw/zinc/20/46/77/557204677.db2.gz ZZXFMSSBEKQTJB-SFHVURJKSA-N 0 0 404.348 5.325 50 0 HKAARN CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O ZINC000001141952 557204625 /nfs/dbraw/zinc/20/46/25/557204625.db2.gz ZZXFMSSBEKQTJB-GOSISDBHSA-N 0 0 404.348 5.325 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000001142056 557205074 /nfs/dbraw/zinc/20/50/74/557205074.db2.gz SPLAEDSDADGFLQ-UHFFFAOYSA-N 0 0 413.477 5.545 50 0 HKAARN O=C1N/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccccc1F ZINC000001142128 557205057 /nfs/dbraw/zinc/20/50/57/557205057.db2.gz DGBVTZDYNCHOAP-ZHZULCJRSA-N 0 0 404.466 5.070 50 0 HKAARN COc1ccc(-c2cc3ccccc3n2C[C@@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000001142146 568773919 /nfs/dbraw/zinc/77/39/19/568773919.db2.gz JNGTVRIFPMEDHF-NRFANRHFSA-N 0 0 411.505 5.036 50 0 HKAARN COc1ccc(-c2cc3ccccc3n2C[C@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000001142147 568773905 /nfs/dbraw/zinc/77/39/05/568773905.db2.gz JNGTVRIFPMEDHF-OAQYLSRUSA-N 0 0 411.505 5.036 50 0 HKAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N2CCCCCC2)cc1 ZINC000001142166 557205031 /nfs/dbraw/zinc/20/50/31/557205031.db2.gz HTIWZJFWAGBVAH-UHFFFAOYSA-N 0 0 421.324 5.271 50 0 HKAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001142228 557205104 /nfs/dbraw/zinc/20/51/04/557205104.db2.gz PPKVVRQCFITDGQ-UHFFFAOYSA-N 0 0 414.534 5.228 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 ZINC000001142285 557205027 /nfs/dbraw/zinc/20/50/27/557205027.db2.gz YVMUMJRXAZHGNL-UHFFFAOYSA-N 0 0 411.527 5.120 50 0 HKAARN Cc1ccc(CSc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000001142293 557205016 /nfs/dbraw/zinc/20/50/16/557205016.db2.gz UDGFYJVWTROUDF-UHFFFAOYSA-N 0 0 420.357 5.154 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000001142331 557205409 /nfs/dbraw/zinc/20/54/09/557205409.db2.gz IGRLJLBLQCVEOX-UHFFFAOYSA-N 0 0 422.912 5.910 50 0 HKAARN Cc1cccc(C(=O)Nc2nnc(SCc3cccc(Br)c3)s2)c1 ZINC000001142356 557205376 /nfs/dbraw/zinc/20/53/76/557205376.db2.gz ZORWRNHQRFSEQW-UHFFFAOYSA-N 0 0 420.357 5.154 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000001142383 557205355 /nfs/dbraw/zinc/20/53/55/557205355.db2.gz XKAMTZOAUYNSKT-UHFFFAOYSA-N 0 0 408.763 5.456 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)c1C ZINC000001142409 557205371 /nfs/dbraw/zinc/20/53/71/557205371.db2.gz BBFYSILPTYDSTL-UHFFFAOYSA-N 0 0 403.375 5.691 50 0 HKAARN O=C(Nc1cccnc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001142423 558775523 /nfs/dbraw/zinc/77/55/23/558775523.db2.gz JUPFHPWDAMHYHX-UHFFFAOYSA-N 0 0 420.683 5.546 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000001142459 557205396 /nfs/dbraw/zinc/20/53/96/557205396.db2.gz VGGJMIDZIBOTSP-UHFFFAOYSA-N 0 0 401.418 5.051 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000001142503 557205387 /nfs/dbraw/zinc/20/53/87/557205387.db2.gz DWOQGRRZVWPJGD-UHFFFAOYSA-N 0 0 408.885 5.470 50 0 HKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(Br)ccc1Cl ZINC000001142543 557205363 /nfs/dbraw/zinc/20/53/63/557205363.db2.gz CFLZMAVOHYZJTO-UHFFFAOYSA-N 0 0 402.100 5.618 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001142556 557205382 /nfs/dbraw/zinc/20/53/82/557205382.db2.gz NQFXTSFDQGFNGZ-UHFFFAOYSA-N 0 0 411.716 5.525 50 0 HKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3 ZINC000001142564 557205358 /nfs/dbraw/zinc/20/53/58/557205358.db2.gz HYJFSVDAVPVFKV-UHFFFAOYSA-N 0 0 403.507 5.442 50 0 HKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1 ZINC000001142590 557205342 /nfs/dbraw/zinc/20/53/42/557205342.db2.gz CACCBRRWALLSDB-UHFFFAOYSA-N 0 0 421.547 5.357 50 0 HKAARN Cc1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 ZINC000001142747 568773901 /nfs/dbraw/zinc/77/39/01/568773901.db2.gz UCEGDXRUBZJTAD-UHFFFAOYSA-N 0 0 416.527 5.698 50 0 HKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](c3ccccc3)C[C@H]2C)cc1OC ZINC000001142754 132238928 /nfs/dbraw/zinc/23/89/28/132238928.db2.gz BSRMAOINXGBMTM-WIYYLYMNSA-N 0 0 401.506 5.583 50 0 HKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](c3ccccc3)C[C@@H]2C)cc1OC ZINC000001142755 132238972 /nfs/dbraw/zinc/23/89/72/132238972.db2.gz BSRMAOINXGBMTM-GHTZIAJQSA-N 0 0 401.506 5.583 50 0 HKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](c3ccccc3)C[C@H]2C)cc1OC ZINC000001142756 132238957 /nfs/dbraw/zinc/23/89/57/132238957.db2.gz BSRMAOINXGBMTM-NQIIRXRSSA-N 0 0 401.506 5.583 50 0 HKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](c3ccccc3)C[C@@H]2C)cc1OC ZINC000001142757 132238907 /nfs/dbraw/zinc/23/89/07/132238907.db2.gz BSRMAOINXGBMTM-RXVVDRJESA-N 0 0 401.506 5.583 50 0 HKAARN Fc1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000001143060 132238904 /nfs/dbraw/zinc/23/89/04/132238904.db2.gz NFAVSHZQUXPTST-UHFFFAOYSA-N 0 0 407.514 5.137 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000001143071 535108562 /nfs/dbraw/zinc/10/85/62/535108562.db2.gz JGXWTKVUWDJLHV-UHFFFAOYSA-N 0 0 406.448 5.092 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000001143131 557205638 /nfs/dbraw/zinc/20/56/38/557205638.db2.gz AYRSWNRVOXLIPP-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000001143134 557205548 /nfs/dbraw/zinc/20/55/48/557205548.db2.gz AYRSWNRVOXLIPP-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000001143160 557205872 /nfs/dbraw/zinc/20/58/72/557205872.db2.gz DMGQXRPJPXCENN-UHFFFAOYSA-N 0 0 407.926 5.188 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 ZINC000001143161 557205812 /nfs/dbraw/zinc/20/58/12/557205812.db2.gz FKGIJYNNCWFENJ-UHFFFAOYSA-N 0 0 413.930 5.248 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000001143167 560727379 /nfs/dbraw/zinc/72/73/79/560727379.db2.gz CBLCDVAHZKLXJA-UHFFFAOYSA-N 0 0 407.322 6.199 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000001143206 557205839 /nfs/dbraw/zinc/20/58/39/557205839.db2.gz IHWFLTDOTRBXIF-SFHVURJKSA-N 0 0 404.322 5.262 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000001143207 557205899 /nfs/dbraw/zinc/20/58/99/557205899.db2.gz IHWFLTDOTRBXIF-GOSISDBHSA-N 0 0 404.322 5.262 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000001143210 557205917 /nfs/dbraw/zinc/20/59/17/557205917.db2.gz BEVRTTLLOWYJJC-UHFFFAOYSA-N 0 0 417.292 6.244 50 0 HKAARN NC(=O)c1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCC2 ZINC000001143219 557205857 /nfs/dbraw/zinc/20/58/57/557205857.db2.gz NWUMZZYQLKTFEO-UHFFFAOYSA-N 0 0 421.305 5.155 50 0 HKAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000001143240 557205790 /nfs/dbraw/zinc/20/57/90/557205790.db2.gz OMSGZRYESZNADP-UHFFFAOYSA-N 0 0 405.479 5.095 50 0 HKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(Oc1ccccc1F)c2=O ZINC000001143255 557205863 /nfs/dbraw/zinc/20/58/63/557205863.db2.gz ZTSJIXUIMIFDQQ-UHFFFAOYSA-N 0 0 410.319 5.231 50 0 HKAARN O=C(Nc1ccccc1I)C(c1ccccc1)c1ccccc1 ZINC000001143357 557205823 /nfs/dbraw/zinc/20/58/23/557205823.db2.gz ZOLOBIDHSSEYRY-UHFFFAOYSA-N 0 0 413.258 5.062 50 0 HKAARN CCc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1 ZINC000001143358 557205894 /nfs/dbraw/zinc/20/58/94/557205894.db2.gz BEDLEBOEKULQRM-UHFFFAOYSA-N 0 0 408.885 5.416 50 0 HKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000001143389 557205923 /nfs/dbraw/zinc/20/59/23/557205923.db2.gz FHQUUNSXMGZDHP-UHFFFAOYSA-N 0 0 415.704 5.646 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000001143421 557206121 /nfs/dbraw/zinc/20/61/21/557206121.db2.gz UPCCVOFRJYLYPG-UHFFFAOYSA-N 0 0 412.283 5.289 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)oc2c(C)c1 ZINC000001143491 557206174 /nfs/dbraw/zinc/20/61/74/557206174.db2.gz ZXCGMOOYVJXOCR-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccc(Cl)c1Cl ZINC000001143492 557206189 /nfs/dbraw/zinc/20/61/89/557206189.db2.gz KUTZVHZSVHVWFV-UHFFFAOYSA-N 0 0 416.333 5.106 50 0 HKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001143527 557206125 /nfs/dbraw/zinc/20/61/25/557206125.db2.gz ITNHJDLVNJLHTP-UHFFFAOYSA-N 0 0 401.293 6.106 50 0 HKAARN Cc1ccc(CNC(=O)/C(=C/c2ccc(Cl)cc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000001143735 557206204 /nfs/dbraw/zinc/20/62/04/557206204.db2.gz RWWQAUGSINLTDO-HAHDFKILSA-N 0 0 418.924 5.044 50 0 HKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000001143770 557206221 /nfs/dbraw/zinc/20/62/21/557206221.db2.gz QLMLHFFJQMNEMP-UHFFFAOYSA-N 0 0 424.888 5.097 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cccs1 ZINC000001143812 560727352 /nfs/dbraw/zinc/72/73/52/560727352.db2.gz DLEAWMORWKAZPN-UHFFFAOYSA-N 0 0 401.285 5.015 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000001143840 557206133 /nfs/dbraw/zinc/20/61/33/557206133.db2.gz XFSUKFAZHIYAIX-UHFFFAOYSA-N 0 0 422.550 5.029 50 0 HKAARN Cc1sc(NC(=O)CSc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000001143915 557206169 /nfs/dbraw/zinc/20/61/69/557206169.db2.gz VECLUKFDDTZWOJ-UHFFFAOYSA-N 0 0 419.369 5.612 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000001144057 557206431 /nfs/dbraw/zinc/20/64/31/557206431.db2.gz LWYUGJQKQPKQRD-UHFFFAOYSA-N 0 0 414.509 5.178 50 0 HKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000001144121 557206396 /nfs/dbraw/zinc/20/63/96/557206396.db2.gz YQZKHSRCXIIDIF-UHFFFAOYSA-N 0 0 420.900 5.342 50 0 HKAARN CCc1cccc2c(C(=S)N3CCOCC3)cn(Cc3c(F)cccc3Cl)c21 ZINC000001144127 557206416 /nfs/dbraw/zinc/20/64/16/557206416.db2.gz HNQVQGBOSWISCU-UHFFFAOYSA-N 0 0 416.949 5.052 50 0 HKAARN 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/nfs/dbraw/zinc/21/03/80/557210380.db2.gz NAXHNWBVIBYQBG-UHFFFAOYSA-N 0 0 413.355 5.064 50 0 HKAARN COC(=O)c1cc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c(C)o1 ZINC000001150631 569060345 /nfs/dbraw/zinc/06/03/45/569060345.db2.gz KDDIHOMPODQUDX-UHFFFAOYSA-N 0 0 404.418 5.035 50 0 biogenic HKAARN CCCC(=O)Nc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001150911 557210967 /nfs/dbraw/zinc/21/09/67/557210967.db2.gz PYONQULTTOUFTB-UHFFFAOYSA-N 0 0 415.704 5.403 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1Cl ZINC000001150965 557211006 /nfs/dbraw/zinc/21/10/06/557211006.db2.gz JNRQGSWJKGGYLP-UHFFFAOYSA-N 0 0 402.675 6.147 50 0 HKAARN O[C@H](c1nnc(SCc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000001150996 568774619 /nfs/dbraw/zinc/77/46/19/568774619.db2.gz QWNKCARKUQLIOD-FQEVSTJZSA-N 0 0 407.926 5.295 50 0 HKAARN O[C@@H](c1nnc(SCc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 ZINC000001150997 568774633 /nfs/dbraw/zinc/77/46/33/568774633.db2.gz QWNKCARKUQLIOD-HXUWFJFHSA-N 0 0 407.926 5.295 50 0 HKAARN COc1cc(OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)cc1Cl ZINC000001151137 536863064 /nfs/dbraw/zinc/86/30/64/536863064.db2.gz RADBHPQZDSHMNI-UHFFFAOYSA-N 0 0 412.898 6.192 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000001151181 557210927 /nfs/dbraw/zinc/21/09/27/557210927.db2.gz ZHBLTPWRHDHILR-UHFFFAOYSA-N 0 0 421.836 5.110 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1)c1ccco1 ZINC000001151210 557210953 /nfs/dbraw/zinc/21/09/53/557210953.db2.gz YHCUCAGNWAVHKU-UHFFFAOYSA-N 0 0 412.445 5.363 50 0 HKAARN COc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001151265 560727385 /nfs/dbraw/zinc/72/73/85/560727385.db2.gz ZZJFAMXGCMJYSG-UHFFFAOYSA-N 0 0 408.601 5.382 50 0 HKAARN O=C(c1ccccc1SCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000001151470 132239334 /nfs/dbraw/zinc/23/93/34/132239334.db2.gz BFXRKIHRARXPII-UHFFFAOYSA-N 0 0 406.526 5.080 50 0 HKAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl ZINC000001151618 557211364 /nfs/dbraw/zinc/21/13/64/557211364.db2.gz DKUXQMWHDJVQAZ-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN CCOc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OCC ZINC000001152051 557211642 /nfs/dbraw/zinc/21/16/42/557211642.db2.gz FFQCALUYWJWWPH-OAHLLOKOSA-N 0 0 418.331 5.337 50 0 HKAARN CCOc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OCC ZINC000001152052 557211654 /nfs/dbraw/zinc/21/16/54/557211654.db2.gz FFQCALUYWJWWPH-HNNXBMFYSA-N 0 0 418.331 5.337 50 0 HKAARN COc1cccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 ZINC000001152214 569060309 /nfs/dbraw/zinc/06/03/09/569060309.db2.gz WYLZPGFRXOBCCI-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1OC ZINC000001152241 557212008 /nfs/dbraw/zinc/21/20/08/557212008.db2.gz BRCDSRNPBDPHTD-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)cc1OC ZINC000001152269 557212028 /nfs/dbraw/zinc/21/20/28/557212028.db2.gz CPAFLQURNKVIIS-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN CCCc1cc(=O)oc2cc(O[C@H](C(=O)OCC)c3ccccc3)c(Cl)cc12 ZINC000001152512 557212018 /nfs/dbraw/zinc/21/20/18/557212018.db2.gz SWKDQPHCKQHXTA-NRFANRHFSA-N 0 0 400.858 5.082 50 0 HKAARN CCCc1cc(=O)oc2cc(O[C@@H](C(=O)OCC)c3ccccc3)c(Cl)cc12 ZINC000001152513 557211997 /nfs/dbraw/zinc/21/19/97/557211997.db2.gz SWKDQPHCKQHXTA-OAQYLSRUSA-N 0 0 400.858 5.082 50 0 HKAARN CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000001152593 560571755 /nfs/dbraw/zinc/57/17/55/560571755.db2.gz FBHQCWMOKSPLJM-BUHFOSPRSA-N 0 0 424.342 5.183 50 0 HKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001152745 568775340 /nfs/dbraw/zinc/77/53/40/568775340.db2.gz UWIFJFUTIHDNNB-UHFFFAOYSA-N 0 0 420.346 6.166 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000001152928 557212179 /nfs/dbraw/zinc/21/21/79/557212179.db2.gz VJIXKUPRGJWORQ-UHFFFAOYSA-N 0 0 404.249 5.682 50 0 HKAARN O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001152993 557212262 /nfs/dbraw/zinc/21/22/62/557212262.db2.gz 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ZINC000001153399 557212665 /nfs/dbraw/zinc/21/26/65/557212665.db2.gz PMJQIRLIFLFTOC-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000001153404 557212565 /nfs/dbraw/zinc/21/25/65/557212565.db2.gz UKTKLBOSDAAZHE-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000001153433 557212577 /nfs/dbraw/zinc/21/25/77/557212577.db2.gz KIDGQUNOCCPGOZ-LBPRGKRZSA-N 0 0 422.337 5.036 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000001153434 557212648 /nfs/dbraw/zinc/21/26/48/557212648.db2.gz KIDGQUNOCCPGOZ-GFCCVEGCSA-N 0 0 422.337 5.036 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000001153575 557212600 /nfs/dbraw/zinc/21/26/00/557212600.db2.gz LHGCCFKMYMTWPP-DHZHZOJOSA-N 0 0 415.276 5.864 50 0 HKAARN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000001153642 557212613 /nfs/dbraw/zinc/21/26/13/557212613.db2.gz CYJRRSWKUIJUAA-UHFFFAOYSA-N 0 0 406.869 5.728 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(Cl)c1 ZINC000001153716 557212653 /nfs/dbraw/zinc/21/26/53/557212653.db2.gz LLUJMLKCPMMSIE-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2SCc2ccccc2)c1 ZINC000001153903 557212642 /nfs/dbraw/zinc/21/26/42/557212642.db2.gz JKUOFUREORWLQD-UHFFFAOYSA-N 0 0 401.535 5.584 50 0 HKAARN CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001153947 557212917 /nfs/dbraw/zinc/21/29/17/557212917.db2.gz PJJDDQLYWRIPTF-UHFFFAOYSA-N 0 0 410.366 5.742 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001153949 568774716 /nfs/dbraw/zinc/77/47/16/568774716.db2.gz NCYCSUVBLSAWKD-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN Cc1c(NC(=O)c2cncc(Br)c2)cccc1-c1nc2ccccc2s1 ZINC000001153952 557212905 /nfs/dbraw/zinc/21/29/05/557212905.db2.gz CYODVTKTIXTCBN-UHFFFAOYSA-N 0 0 424.323 5.682 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(OCc2ccccc2)cs1 ZINC000001154083 557212863 /nfs/dbraw/zinc/21/28/63/557212863.db2.gz XYFCQTNCMHZRIL-UHFFFAOYSA-N 0 0 409.294 5.046 50 0 HKAARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c(C)c1 ZINC000001154128 568930446 /nfs/dbraw/zinc/93/04/46/568930446.db2.gz RPZDSWYUGMWNPL-UHFFFAOYSA-N 0 0 422.278 5.659 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)nc2c1 ZINC000001154220 557212867 /nfs/dbraw/zinc/21/28/67/557212867.db2.gz UDTWSEQZSHGIOQ-UHFFFAOYSA-N 0 0 416.506 5.140 50 0 HKAARN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 ZINC000001154230 537005168 /nfs/dbraw/zinc/00/51/68/537005168.db2.gz AFXLHBRQFXVKKF-AWEZNQCLSA-N 0 0 412.580 5.716 50 0 HKAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 ZINC000001154231 132239604 /nfs/dbraw/zinc/23/96/04/132239604.db2.gz AFXLHBRQFXVKKF-CQSZACIVSA-N 0 0 412.580 5.716 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Br)cc1 ZINC000001154244 557212929 /nfs/dbraw/zinc/21/29/29/557212929.db2.gz IRSPFPPSLKOIAF-UHFFFAOYSA-N 0 0 409.494 5.427 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000001154264 557212880 /nfs/dbraw/zinc/21/28/80/557212880.db2.gz ZIBDUCXHZUOLRQ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000001154335 557212872 /nfs/dbraw/zinc/21/28/72/557212872.db2.gz NFVNQLAGLPFEEO-UHFFFAOYSA-N 0 0 401.245 5.209 50 0 HKAARN COc1ccccc1OCC(=O)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000001154371 557212882 /nfs/dbraw/zinc/21/28/82/557212882.db2.gz VWAPSCMSLDSBAS-UHFFFAOYSA-N 0 0 422.481 5.196 50 0 HKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1cccs1 ZINC000001154375 557212852 /nfs/dbraw/zinc/21/28/52/557212852.db2.gz MRNLAASJXWXTAY-UHFFFAOYSA-N 0 0 412.923 5.076 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000001154521 568774803 /nfs/dbraw/zinc/77/48/03/568774803.db2.gz KTEOLXIBJJOPTH-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)cc1 ZINC000001154552 557213120 /nfs/dbraw/zinc/21/31/20/557213120.db2.gz JYPNPXOZUPZTKO-UHFFFAOYSA-N 0 0 415.445 5.073 50 0 HKAARN Cc1cc(I)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000001154587 557213152 /nfs/dbraw/zinc/21/31/52/557213152.db2.gz SCGYGSYSJGTFNW-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN CCCc1ccc(Oc2c(C)oc3c(C)c(OCC(=O)OCC)ccc3c2=O)cc1 ZINC000001154610 557213170 /nfs/dbraw/zinc/21/31/70/557213170.db2.gz UPTDJRAAHDSQRS-UHFFFAOYSA-N 0 0 410.466 5.097 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000001154643 557213126 /nfs/dbraw/zinc/21/31/26/557213126.db2.gz AGKFATVNUKGEJN-UHFFFAOYSA-N 0 0 400.865 6.127 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)nc2c1 ZINC000001154720 557213172 /nfs/dbraw/zinc/21/31/72/557213172.db2.gz JXUYGLWSBOBODB-UHFFFAOYSA-N 0 0 402.450 5.327 50 0 HKAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000001154728 557213149 /nfs/dbraw/zinc/21/31/49/557213149.db2.gz NEKSLLKVSCSADI-UHFFFAOYSA-N 0 0 413.271 5.310 50 0 HKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)/C=C/c4ccco4)ccc3Cl)nc2c1 ZINC000001154773 557213155 /nfs/dbraw/zinc/21/31/55/557213155.db2.gz IZQUMGPFRKGUAG-JXMROGBWSA-N 0 0 406.869 6.517 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(C)c1 ZINC000001154783 557213195 /nfs/dbraw/zinc/21/31/95/557213195.db2.gz BEWFGFVTGDOAKV-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000001154920 557213544 /nfs/dbraw/zinc/21/35/44/557213544.db2.gz UPSPLLYQVGLFNT-UHFFFAOYSA-N 0 0 420.900 5.342 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1 ZINC000001154983 557213438 /nfs/dbraw/zinc/21/34/38/557213438.db2.gz HNPLVEIEOLNSCI-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN CN(c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000001155016 557213557 /nfs/dbraw/zinc/21/35/57/557213557.db2.gz WTDXZDCHSDVMFP-DQEYMECFSA-N 0 0 414.530 5.051 50 0 HKAARN CC(C)(C)c1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1 ZINC000001155108 557213569 /nfs/dbraw/zinc/21/35/69/557213569.db2.gz MRNJGGZBEJJOPO-UHFFFAOYSA-N 0 0 406.595 5.789 50 0 HKAARN COc1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 ZINC000001155119 557213508 /nfs/dbraw/zinc/21/35/08/557213508.db2.gz RYMUGAIUCJZYNU-UHFFFAOYSA-N 0 0 424.250 5.051 50 0 HKAARN COc1ccccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000001155148 557213423 /nfs/dbraw/zinc/21/34/23/557213423.db2.gz ZURPYYXZMGPECI-UHFFFAOYSA-N 0 0 424.250 5.051 50 0 HKAARN COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001155218 557213513 /nfs/dbraw/zinc/21/35/13/557213513.db2.gz ICAFRFZKKBVBBP-UHFFFAOYSA-N 0 0 418.074 5.187 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc(Cl)c1Cl ZINC000001155337 557213491 /nfs/dbraw/zinc/21/34/91/557213491.db2.gz XWSWDGSPOIZIKQ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000001155367 557213496 /nfs/dbraw/zinc/21/34/96/557213496.db2.gz YPDSJOWLKMCXFF-UHFFFAOYSA-N 0 0 408.251 5.350 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000001155370 557213498 /nfs/dbraw/zinc/21/34/98/557213498.db2.gz IAEUSETZKFIXNJ-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl ZINC000001155528 557213822 /nfs/dbraw/zinc/21/38/22/557213822.db2.gz AYJHGDAHARYDHU-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000001155629 557213828 /nfs/dbraw/zinc/21/38/28/557213828.db2.gz PTJDLZBWKIRZHT-UHFFFAOYSA-N 0 0 404.901 5.758 50 0 HKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)NCCc3c[nH]c4ccccc34)c2c1 ZINC000001155669 568774872 /nfs/dbraw/zinc/77/48/72/568774872.db2.gz ZAVYMYGSMLMCSW-UHFFFAOYSA-N 0 0 424.500 5.952 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)C3CCCCC3)cc21 ZINC000001155867 568774851 /nfs/dbraw/zinc/77/48/51/568774851.db2.gz BIDKWCRYUARCID-UHFFFAOYSA-N 0 0 409.276 5.166 50 0 HKAARN CCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12 ZINC000001155887 569060324 /nfs/dbraw/zinc/06/03/24/569060324.db2.gz WKUBEUINCJDMEC-UHFFFAOYSA-N 0 0 418.873 5.004 50 0 biogenic HKAARN Cc1sc2nc(-c3ccc(-c4ccc(Br)cc4C)o3)[nH]c(=O)c2c1C ZINC000001155914 557213751 /nfs/dbraw/zinc/21/37/51/557213751.db2.gz UUGCXYOVSCEGFT-UHFFFAOYSA-N 0 0 415.312 5.599 50 0 HKAARN CCc1cc2c(cc1OC(C)=O)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001155918 557213788 /nfs/dbraw/zinc/21/37/88/557213788.db2.gz CXNNANOLYLWOAA-UHFFFAOYSA-N 0 0 400.430 5.740 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccco4)c3)nc2c1 ZINC000001155968 557213697 /nfs/dbraw/zinc/21/36/97/557213697.db2.gz HCCKJPJRHMTADM-UHFFFAOYSA-N 0 0 411.870 5.176 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccccc4OC)ccc23)cc1 ZINC000001156004 569060330 /nfs/dbraw/zinc/06/03/30/569060330.db2.gz QZEITQUBGRUXQJ-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN CCOC(=O)c1c2cc(OCC(=O)c3ccc(OC)cc3)ccc2oc1C(C)(C)C ZINC000001156065 568774952 /nfs/dbraw/zinc/77/49/52/568774952.db2.gz BIOKWAVEGLLLMN-UHFFFAOYSA-N 0 0 410.466 5.177 50 0 HKAARN COc1cc(COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc(OC)c1OC ZINC000001156075 569060329 /nfs/dbraw/zinc/06/03/29/569060329.db2.gz JRCQXJVNPGGUJS-UHFFFAOYSA-N 0 0 418.445 5.065 50 0 biogenic HKAARN CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c1C ZINC000001156177 568775056 /nfs/dbraw/zinc/77/50/56/568775056.db2.gz MKJYVWLIVCGHKC-UHFFFAOYSA-N 0 0 419.380 5.322 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 ZINC000001156229 557213979 /nfs/dbraw/zinc/21/39/79/557213979.db2.gz OENAQGCCOSKHAP-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(Cl)cccc2Cl)c(C)c1 ZINC000001156275 557214005 /nfs/dbraw/zinc/21/40/05/557214005.db2.gz SVVPTKMNFKSCCJ-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2c(Cl)cccc2Cl)c(C)c1 ZINC000001156276 557214133 /nfs/dbraw/zinc/21/41/33/557214133.db2.gz SVVPTKMNFKSCCJ-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000001156300 557213951 /nfs/dbraw/zinc/21/39/51/557213951.db2.gz KOAHNLZNNPMRKF-UHFFFAOYSA-N 0 0 419.531 5.099 50 0 HKAARN Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000001156363 558775605 /nfs/dbraw/zinc/77/56/05/558775605.db2.gz ZGFBTOFQEKGCTM-UHFFFAOYSA-N 0 0 400.059 5.385 50 0 HKAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000001156371 557214098 /nfs/dbraw/zinc/21/40/98/557214098.db2.gz USVPCSUIAOQFDW-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN COc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000001156372 560727430 /nfs/dbraw/zinc/72/74/30/560727430.db2.gz VECKFUJAHVWURE-UHFFFAOYSA-N 0 0 419.531 5.099 50 0 HKAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1ccccc1Cl ZINC000001156500 557214363 /nfs/dbraw/zinc/21/43/63/557214363.db2.gz AWQXPYRVAYVRSW-UHFFFAOYSA-N 0 0 424.747 5.093 50 0 HKAARN CCOc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000001156552 557214416 /nfs/dbraw/zinc/21/44/16/557214416.db2.gz CBYMBXUICHDTQN-UHFFFAOYSA-N 0 0 424.349 5.383 50 0 HKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc2ccccc21 ZINC000001156558 557214357 /nfs/dbraw/zinc/21/43/57/557214357.db2.gz AYOCKSJVDTVQBX-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(Br)c1 ZINC000001156570 557214371 /nfs/dbraw/zinc/21/43/71/557214371.db2.gz WBOGEWSJFDYPOY-UHFFFAOYSA-N 0 0 409.494 5.427 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(NCCc2ccccc2)n1)CC(C)(C)OC4 ZINC000001156574 557214384 /nfs/dbraw/zinc/21/43/84/557214384.db2.gz MEMDBMHUCAUIGH-UHFFFAOYSA-N 0 0 404.539 5.054 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1 ZINC000001156632 557214342 /nfs/dbraw/zinc/21/43/42/557214342.db2.gz ZYJCKMIBNVFVAC-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000001156641 557214695 /nfs/dbraw/zinc/21/46/95/557214695.db2.gz HGAMGCYBDNADJI-UHFFFAOYSA-N 0 0 424.378 5.709 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1F ZINC000001156671 557214601 /nfs/dbraw/zinc/21/46/01/557214601.db2.gz VLQAJEAFUDPSER-UHFFFAOYSA-N 0 0 407.495 5.229 50 0 HKAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000001156678 568774999 /nfs/dbraw/zinc/77/49/99/568774999.db2.gz DUKXKNPVCNYNBK-UHFFFAOYSA-N 0 0 419.531 5.099 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001156680 557214678 /nfs/dbraw/zinc/21/46/78/557214678.db2.gz FFNROQHYDSGUKK-UHFFFAOYSA-N 0 0 423.719 5.244 50 0 HKAARN O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000001156698 557214656 /nfs/dbraw/zinc/21/46/56/557214656.db2.gz OUPFBMURMOHKSS-MDZDMXLPSA-N 0 0 405.504 5.083 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001156729 568775006 /nfs/dbraw/zinc/77/50/06/568775006.db2.gz BSRZXTNOHRQYTK-UHFFFAOYSA-N 0 0 423.521 5.735 50 0 HKAARN CC1(C)[C@@]2(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC[C@]1(C)C(=O)C2 ZINC000001156744 557214672 /nfs/dbraw/zinc/21/46/72/557214672.db2.gz ZRPNMVLCUYXIQU-RPWUZVMVSA-N 0 0 409.913 5.295 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)cc1Cl ZINC000001156760 557214760 /nfs/dbraw/zinc/21/47/60/557214760.db2.gz UGZXIPCGWKPSPO-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000001156810 557214756 /nfs/dbraw/zinc/21/47/56/557214756.db2.gz MYSGLTQMJHFXDS-QGZVFWFLSA-N 0 0 424.715 5.222 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000001156811 557214640 /nfs/dbraw/zinc/21/46/40/557214640.db2.gz MYSGLTQMJHFXDS-KRWDZBQOSA-N 0 0 424.715 5.222 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 ZINC000001156813 568774993 /nfs/dbraw/zinc/77/49/93/568774993.db2.gz RXNXOADNMBQZMV-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN Cc1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)ccc1Br ZINC000001156821 568775072 /nfs/dbraw/zinc/77/50/72/568775072.db2.gz RVWSFAZKHMVIJN-UHFFFAOYSA-N 0 0 423.521 5.735 50 0 HKAARN O=C(N1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000001156890 132239558 /nfs/dbraw/zinc/23/95/58/132239558.db2.gz KKPJCYJMCWDLFM-UHFFFAOYSA-N 0 0 405.498 5.371 50 0 HKAARN O=c1n(Cc2ccc(F)cc2)c2cccc3cccc(c32)n1Cc1ccc(F)cc1 ZINC000001157009 557214964 /nfs/dbraw/zinc/21/49/64/557214964.db2.gz NEKFVNLGWVNULI-UHFFFAOYSA-N 0 0 400.428 5.331 50 0 HKAARN CCc1cc2c(cc1OCc1ccccc1)occ(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001157023 557214972 /nfs/dbraw/zinc/21/49/72/557214972.db2.gz JTNXKJWJTXLUCE-UHFFFAOYSA-N 0 0 422.484 5.787 50 0 HKAARN CCC(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000001157176 557214971 /nfs/dbraw/zinc/21/49/71/557214971.db2.gz ACYJLTJYDIGIFQ-UHFFFAOYSA-N 0 0 407.358 5.700 50 0 HKAARN Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000001157179 557214953 /nfs/dbraw/zinc/21/49/53/557214953.db2.gz HZANRESOMAZUDF-UHFFFAOYSA-N 0 0 418.562 5.105 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000001157451 557215311 /nfs/dbraw/zinc/21/53/11/557215311.db2.gz COJUAEYHVSSVLJ-UHFFFAOYSA-N 0 0 409.913 6.051 50 0 HKAARN Cc1cc2c(cc1C)N(C(=O)Cc1cccs1)C(C)(C)c1ssc(=S)c1-2 ZINC000001157505 132239531 /nfs/dbraw/zinc/23/95/31/132239531.db2.gz NSYUPLCATOCNDM-UHFFFAOYSA-N 0 0 417.646 6.709 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000001157537 557215351 /nfs/dbraw/zinc/21/53/51/557215351.db2.gz NVJQTDPBWGLBRT-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000001157588 557215292 /nfs/dbraw/zinc/21/52/92/557215292.db2.gz WISQRQYMQUGESN-UHFFFAOYSA-N 0 0 414.509 5.503 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4C)ccc3o2)cc1Cl ZINC000001157633 557215319 /nfs/dbraw/zinc/21/53/19/557215319.db2.gz OGFCSZIRQRQMSI-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000001157637 557215251 /nfs/dbraw/zinc/21/52/51/557215251.db2.gz BBEHGZMFQBWGQG-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000001157699 557215337 /nfs/dbraw/zinc/21/53/37/557215337.db2.gz NDFKCGWJFVFWLY-UHFFFAOYSA-N 0 0 414.461 5.642 50 0 HKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001157704 557215377 /nfs/dbraw/zinc/21/53/77/557215377.db2.gz WZPDCBHWKMUPOR-UHFFFAOYSA-N 0 0 401.293 6.106 50 0 HKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 ZINC000001157711 557215263 /nfs/dbraw/zinc/21/52/63/557215263.db2.gz GPWMUJSFOLYNKR-UHFFFAOYSA-N 0 0 414.461 5.642 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000001157712 557215204 /nfs/dbraw/zinc/21/52/04/557215204.db2.gz ARXRBYIMWHDFHB-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(C)c1 ZINC000001157713 557215326 /nfs/dbraw/zinc/21/53/26/557215326.db2.gz LDAGTHSKLHGKEF-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000001157756 557215256 /nfs/dbraw/zinc/21/52/56/557215256.db2.gz ZIDUNZCVIHEOMR-UHFFFAOYSA-N 0 0 405.457 5.660 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000001157789 557215678 /nfs/dbraw/zinc/21/56/78/557215678.db2.gz CZLDWZKVDRFYBM-UHFFFAOYSA-N 0 0 405.338 5.865 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000001157790 132239598 /nfs/dbraw/zinc/23/95/98/132239598.db2.gz VQKRMGMGOYYPRI-UHFFFAOYSA-N 0 0 413.732 5.655 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1)c1cccs1 ZINC000001157885 557215604 /nfs/dbraw/zinc/21/56/04/557215604.db2.gz ZOJRRNVEXKLXCI-UHFFFAOYSA-N 0 0 412.923 6.121 50 0 HKAARN Oc1ccc(Br)cc1-c1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000001157917 557215625 /nfs/dbraw/zinc/21/56/25/557215625.db2.gz QYPQZGRMUOOANM-UHFFFAOYSA-N 0 0 403.326 6.002 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Cl ZINC000001157964 557215581 /nfs/dbraw/zinc/21/55/81/557215581.db2.gz GWQADMDNXWPAOB-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc4ccccc43)n2)cc1 ZINC000001158055 557216050 /nfs/dbraw/zinc/21/60/50/557216050.db2.gz DFDPZFLXLBUDRW-UHFFFAOYSA-N 0 0 419.531 5.099 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000001158077 557216024 /nfs/dbraw/zinc/21/60/24/557216024.db2.gz PKILSORVLZIFIG-UHFFFAOYSA-N 0 0 400.931 5.913 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(F)cc1 ZINC000001158121 557215963 /nfs/dbraw/zinc/21/59/63/557215963.db2.gz LLEULCVQJBFWNJ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3)c(C)c2O)cc1 ZINC000001158123 557215941 /nfs/dbraw/zinc/21/59/41/557215941.db2.gz YNMCOCGAVNIENC-UHFFFAOYSA-N 0 0 400.478 5.654 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000001158125 557215922 /nfs/dbraw/zinc/21/59/22/557215922.db2.gz LOZOWTYALQIFOM-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000001158150 568775298 /nfs/dbraw/zinc/77/52/98/568775298.db2.gz XJUMSEONBAMVST-QFIPXVFZSA-N 0 0 419.496 5.320 50 0 HKAARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000001158151 568775322 /nfs/dbraw/zinc/77/53/22/568775322.db2.gz XJUMSEONBAMVST-JOCHJYFZSA-N 0 0 419.496 5.320 50 0 HKAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000001158237 557216019 /nfs/dbraw/zinc/21/60/19/557216019.db2.gz QKHJUQLKVFURTG-UHFFFAOYSA-N 0 0 411.552 5.069 50 0 HKAARN CC(=O)CSc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 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CCC(=O)Nc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001161353 557218489 /nfs/dbraw/zinc/21/84/89/557218489.db2.gz LQYHZVVZVYVFOO-UHFFFAOYSA-N 0 0 401.677 5.013 50 0 HKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001161368 557218476 /nfs/dbraw/zinc/21/84/76/557218476.db2.gz MRWVVGVEYJYEHK-UHFFFAOYSA-N 0 0 404.897 5.413 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)c1 ZINC000001161427 557218483 /nfs/dbraw/zinc/21/84/83/557218483.db2.gz SCRRQFMRGAYCSG-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000001161477 557218454 /nfs/dbraw/zinc/21/84/54/557218454.db2.gz NFTVVXQJBJGRFE-UHFFFAOYSA-N 0 0 411.292 5.542 50 0 HKAARN O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1cccc2cccnc21 ZINC000001161508 557218437 /nfs/dbraw/zinc/21/84/37/557218437.db2.gz MILBPIYLHAACGX-UHFFFAOYSA-N 0 0 400.821 5.481 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000001161512 557218505 /nfs/dbraw/zinc/21/85/05/557218505.db2.gz OCMJNNXDIQARCH-UHFFFAOYSA-N 0 0 420.896 6.533 50 0 HKAARN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000001161572 557218434 /nfs/dbraw/zinc/21/84/34/557218434.db2.gz HNRBCWQLPQHVFI-CRRKTRLDSA-N 0 0 414.889 5.013 50 0 HKAARN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000001161574 557218507 /nfs/dbraw/zinc/21/85/07/557218507.db2.gz HNRBCWQLPQHVFI-QCUKBLKESA-N 0 0 414.889 5.013 50 0 HKAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](Cc5ccccc5)C4=O)cc3)sc2c1 ZINC000001161777 557218766 /nfs/dbraw/zinc/21/87/66/557218766.db2.gz VIJXDXJPQUBHPM-LJQANCHMSA-N 0 0 412.514 5.394 50 0 HKAARN O=C(Nc1ccccc1F)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000001161841 560727414 /nfs/dbraw/zinc/72/74/14/560727414.db2.gz NGVRSBNRMSSTET-UHFFFAOYSA-N 0 0 421.435 5.145 50 0 HKAARN S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1 ZINC000001162142 568775602 /nfs/dbraw/zinc/77/56/02/568775602.db2.gz ZKAPBJOQBYASHJ-UHFFFAOYSA-N 0 0 418.522 5.723 50 0 biogenic HKAARN O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCC1 ZINC000001162172 558775584 /nfs/dbraw/zinc/77/55/84/558775584.db2.gz XTUJACXHPIABGW-UHFFFAOYSA-N 0 0 406.536 5.715 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 ZINC000001162297 557219080 /nfs/dbraw/zinc/21/90/80/557219080.db2.gz NMYPUVVBZLJARE-UHFFFAOYSA-N 0 0 403.507 5.578 50 0 HKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2ccccc2C)cc1 ZINC000001162349 557219044 /nfs/dbraw/zinc/21/90/44/557219044.db2.gz BJJOCZKMALKPBB-UHFFFAOYSA-N 0 0 402.519 5.665 50 0 HKAARN CCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1C ZINC000001162470 557219061 /nfs/dbraw/zinc/21/90/61/557219061.db2.gz LCAPKYLMHRMJOK-UHFFFAOYSA-N 0 0 414.383 5.372 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)sc2c1 ZINC000001162539 557219093 /nfs/dbraw/zinc/21/90/93/557219093.db2.gz HZJKGNRLMSVETD-UHFFFAOYSA-N 0 0 413.351 5.733 50 0 HKAARN COc1cc2cc(C(=O)NCc3ccccc3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000001162745 557219413 /nfs/dbraw/zinc/21/94/13/557219413.db2.gz BQHYENPNMZQXOP-UHFFFAOYSA-N 0 0 411.501 5.762 50 0 HKAARN S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCC1 ZINC000001162945 560727456 /nfs/dbraw/zinc/72/74/56/560727456.db2.gz KPOGJKYZCRHWQO-UHFFFAOYSA-N 0 0 404.495 5.333 50 0 HKAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cc(Cl)ccc1Cl ZINC000001163160 557219403 /nfs/dbraw/zinc/21/94/03/557219403.db2.gz FBMWKLZYFUERTJ-UHFFFAOYSA-N 0 0 409.272 6.586 50 0 HKAARN O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)NC1CCCCC1 ZINC000001163722 557219546 /nfs/dbraw/zinc/21/95/46/557219546.db2.gz RWVILFJCLRPDPA-GOSISDBHSA-N 0 0 402.332 5.126 50 0 HKAARN O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)NC1CCCCC1 ZINC000001163723 557219582 /nfs/dbraw/zinc/21/95/82/557219582.db2.gz RWVILFJCLRPDPA-SFHVURJKSA-N 0 0 402.332 5.126 50 0 HKAARN COc1ccc2sc(NC(=O)CSc3nc4cc(Cl)ccc4s3)nc2c1 ZINC000001163864 557219669 /nfs/dbraw/zinc/21/96/69/557219669.db2.gz CGFWIADDMYLJAB-UHFFFAOYSA-N 0 0 421.956 5.299 50 0 HKAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000001163885 557219619 /nfs/dbraw/zinc/21/96/19/557219619.db2.gz SHWTXPPVAKOGEX-UHFFFAOYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1cc(I)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000001164063 557219663 /nfs/dbraw/zinc/21/96/63/557219663.db2.gz BLBXZLSHSRKUDD-UHFFFAOYSA-N 0 0 420.077 5.467 50 0 HKAARN CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Br)cc3)c(Cl)cc12 ZINC000001164339 557219957 /nfs/dbraw/zinc/21/99/57/557219957.db2.gz CGFCDWDQGBMFJO-UHFFFAOYSA-N 0 0 421.674 5.033 50 0 HKAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Br)cc3)c12 ZINC000001164377 557219893 /nfs/dbraw/zinc/21/98/93/557219893.db2.gz UVGHMILJLZRQFA-UHFFFAOYSA-N 0 0 415.283 5.078 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc(OCC)c1OCC ZINC000001164622 132240032 /nfs/dbraw/zinc/24/00/32/132240032.db2.gz IMYNFILJAIKXKR-UHFFFAOYSA-N 0 0 412.530 5.125 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C ZINC000001164850 557220251 /nfs/dbraw/zinc/22/02/51/557220251.db2.gz XYZOKPDYPBIGFO-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 ZINC000001164864 557220240 /nfs/dbraw/zinc/22/02/40/557220240.db2.gz ATBAAMQLVOPDQM-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001164877 557220192 /nfs/dbraw/zinc/22/01/92/557220192.db2.gz LXIIHGQQBSBAJC-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001165018 568775697 /nfs/dbraw/zinc/77/56/97/568775697.db2.gz YGVKIRNJZCFTDB-UHFFFAOYSA-N 0 0 408.064 5.105 50 0 HKAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 ZINC000001165125 569060343 /nfs/dbraw/zinc/06/03/43/569060343.db2.gz KXYLWTHYMRSLFV-UHFFFAOYSA-N 0 0 415.283 5.078 50 0 biogenic HKAARN CCc1cc2c(cc1OCC(=O)c1cccc(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000001165142 557220260 /nfs/dbraw/zinc/22/02/60/557220260.db2.gz VVHHJWFTSIONQV-UHFFFAOYSA-N 0 0 414.457 5.293 50 0 biogenic HKAARN CCOc1ccc(-c2cc(C(=O)Oc3ccc(C(C)=O)cc3)c3ccccc3n2)cc1 ZINC000001165196 568930439 /nfs/dbraw/zinc/93/04/39/568930439.db2.gz XOASKJFXYVEWTH-UHFFFAOYSA-N 0 0 411.457 5.722 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000001165306 557220235 /nfs/dbraw/zinc/22/02/35/557220235.db2.gz ZNQFSTWPRQJDGL-INIZCTEOSA-N 0 0 406.869 5.124 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000001165307 557220208 /nfs/dbraw/zinc/22/02/08/557220208.db2.gz ZNQFSTWPRQJDGL-MRXNPFEDSA-N 0 0 406.869 5.124 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 ZINC000001165435 557220307 /nfs/dbraw/zinc/22/03/07/557220307.db2.gz IBVRCYZAVOEVOS-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN CCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000001165518 557220662 /nfs/dbraw/zinc/22/06/62/557220662.db2.gz PJXVEIWTMPZXHH-UHFFFAOYSA-N 0 0 423.925 5.915 50 0 HKAARN CCc1cc2c(cc1OC)oc(C(F)(F)F)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001165604 557220641 /nfs/dbraw/zinc/22/06/41/557220641.db2.gz WMMXZFKJRNDCPC-UHFFFAOYSA-N 0 0 414.383 5.236 50 0 HKAARN CCc1cc2c(cc1OC(C)=O)oc(C(F)(F)F)c(Oc1ccc(F)cc1)c2=O ZINC000001165668 557220559 /nfs/dbraw/zinc/22/05/59/557220559.db2.gz AOAYNXIMRMBXFD-UHFFFAOYSA-N 0 0 410.319 5.231 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Br)cc1)CCCCC3 ZINC000001165775 569007790 /nfs/dbraw/zinc/00/77/90/569007790.db2.gz GRRTUCRNYVKIEB-UHFFFAOYSA-N 0 0 401.329 5.141 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000001166024 557220943 /nfs/dbraw/zinc/22/09/43/557220943.db2.gz TZONQCVLRBBDPN-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4cccs4)c(Cl)cc32)cc1 ZINC000001166087 557220867 /nfs/dbraw/zinc/22/08/67/557220867.db2.gz VRZIPVIWULVGIS-UHFFFAOYSA-N 0 0 412.850 5.403 50 0 HKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000001166123 557220802 /nfs/dbraw/zinc/22/08/02/557220802.db2.gz AVAMIFWRONKKKF-UHFFFAOYSA-N 0 0 410.473 6.925 50 0 aggregator HKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1 ZINC000001166148 557220842 /nfs/dbraw/zinc/22/08/42/557220842.db2.gz NELGLMKSAWZPFR-UHFFFAOYSA-N 0 0 419.506 5.149 50 0 HKAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000001166179 557220813 /nfs/dbraw/zinc/22/08/13/557220813.db2.gz BWABJPFEGSGOCJ-UHFFFAOYSA-N 0 0 423.490 5.099 50 0 HKAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc2ccccc21 ZINC000001166186 557220876 /nfs/dbraw/zinc/22/08/76/557220876.db2.gz KFDNPKXKQYXQAP-UHFFFAOYSA-N 0 0 409.942 5.220 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(C)c1 ZINC000001166311 557221086 /nfs/dbraw/zinc/22/10/86/557221086.db2.gz YQTPSOIGLRAONU-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)oc2c(C)c1 ZINC000001166312 557221214 /nfs/dbraw/zinc/22/12/14/557221214.db2.gz DDXCGJQRGAKZIP-UHFFFAOYSA-N 0 0 411.255 5.719 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001166321 557221162 /nfs/dbraw/zinc/22/11/62/557221162.db2.gz RBSJGAQGXHCXRR-UHFFFAOYSA-N 0 0 402.475 5.171 50 0 HKAARN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 ZINC000001166337 557221093 /nfs/dbraw/zinc/22/10/93/557221093.db2.gz SEZGWXNKHQVLHZ-UHFFFAOYSA-N 0 0 400.478 6.071 50 0 HKAARN Cc1ccc(CNC(=O)/C(=C/c2ccc(C(C)C)cc2)NC(=O)c2ccccc2)cc1 ZINC000001166389 557221101 /nfs/dbraw/zinc/22/11/01/557221101.db2.gz MUXWKYLTDWNIPQ-UQQQWYQISA-N 0 0 412.533 5.206 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 ZINC000001166470 557221128 /nfs/dbraw/zinc/22/11/28/557221128.db2.gz KOUHBCFASBYHBA-JXMROGBWSA-N 0 0 406.869 6.517 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000001166541 557221091 /nfs/dbraw/zinc/22/10/91/557221091.db2.gz QDPISTKIXRIEBW-UHFFFAOYSA-N 0 0 400.482 5.077 50 0 HKAARN COc1cc(C)c(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)cc1C(C)C ZINC000001166553 568775721 /nfs/dbraw/zinc/77/57/21/568775721.db2.gz FPOIGLRPBVFAMC-UUYOSTAYSA-N 0 0 423.534 5.355 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001166563 557221203 /nfs/dbraw/zinc/22/12/03/557221203.db2.gz FWPCPKLSTPKMEZ-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc(Br)ccc1Cl ZINC000001166604 557221246 /nfs/dbraw/zinc/22/12/46/557221246.db2.gz WRLWQUASVWFOOS-UHFFFAOYSA-N 0 0 414.130 5.608 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001166615 557221172 /nfs/dbraw/zinc/22/11/72/557221172.db2.gz HNVYWRGSNNTYFR-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c1 ZINC000001166643 557221115 /nfs/dbraw/zinc/22/11/15/557221115.db2.gz GEEZYBHCQNNGFG-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000001166725 557221473 /nfs/dbraw/zinc/22/14/73/557221473.db2.gz JCCCNGCIGLJTJS-UHFFFAOYSA-N 0 0 401.963 5.190 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001166726 557221541 /nfs/dbraw/zinc/22/15/41/557221541.db2.gz DDKDHMKPGVKGLD-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC)c(C)oc3c3ccccc23)cc1 ZINC000001166743 557221503 /nfs/dbraw/zinc/22/15/03/557221503.db2.gz QFHBVHZGRXJOOW-UHFFFAOYSA-N 0 0 423.490 5.044 50 0 HKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000001166779 557221490 /nfs/dbraw/zinc/22/14/90/557221490.db2.gz ZGTUSGXGPLTDJZ-UHFFFAOYSA-N 0 0 412.449 5.126 50 0 HKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001166795 557221501 /nfs/dbraw/zinc/22/15/01/557221501.db2.gz WZASPXKYPBNNAU-UHFFFAOYSA-N 0 0 418.500 5.500 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000001166813 557221470 /nfs/dbraw/zinc/22/14/70/557221470.db2.gz XFPPOMWFHGSIML-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000001166867 557221497 /nfs/dbraw/zinc/22/14/97/557221497.db2.gz YUERFYSHIFCLFK-UHFFFAOYSA-N 0 0 422.893 5.640 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccccc1Cl ZINC000001167029 557221479 /nfs/dbraw/zinc/22/14/79/557221479.db2.gz LMMCKAIZGZMPQC-UHFFFAOYSA-N 0 0 406.294 5.084 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001167078 557221574 /nfs/dbraw/zinc/22/15/74/557221574.db2.gz BNTDEGMNHWUJEQ-UHFFFAOYSA-N 0 0 414.248 5.214 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000001167095 557221861 /nfs/dbraw/zinc/22/18/61/557221861.db2.gz AKEDTSAOMXPIDP-HAVVHWLPSA-N 0 0 401.462 5.051 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 ZINC000001167140 557221807 /nfs/dbraw/zinc/22/18/07/557221807.db2.gz MSCCOIMFSPRLDC-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 ZINC000001167225 557221802 /nfs/dbraw/zinc/22/18/02/557221802.db2.gz OBPXSJDODIUDIB-UHFFFAOYSA-N 0 0 416.477 5.888 50 0 HKAARN COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000001167259 557221842 /nfs/dbraw/zinc/22/18/42/557221842.db2.gz YJHZGPZJCQVQTE-UHFFFAOYSA-N 0 0 409.294 5.143 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000001167285 557221847 /nfs/dbraw/zinc/22/18/47/557221847.db2.gz IARJTWHWHHIRDZ-UHFFFAOYSA-N 0 0 400.478 5.944 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 ZINC000001167316 557221835 /nfs/dbraw/zinc/22/18/35/557221835.db2.gz QYLOAFKOLKNWEO-UHFFFAOYSA-N 0 0 405.479 5.338 50 0 HKAARN COc1ccccc1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1C ZINC000001167360 557221828 /nfs/dbraw/zinc/22/18/28/557221828.db2.gz WCZWYKLFHWECOW-UHFFFAOYSA-N 0 0 400.478 6.188 50 0 HKAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 ZINC000001167365 568775698 /nfs/dbraw/zinc/77/56/98/568775698.db2.gz KLFREEZJEWRVIC-UHFFFAOYSA-N 0 0 422.488 5.533 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000001167431 557221833 /nfs/dbraw/zinc/22/18/33/557221833.db2.gz YLPDUFKWUSTETK-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000001167472 557221821 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Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 ZINC000001167663 557222184 /nfs/dbraw/zinc/22/21/84/557222184.db2.gz IQUJYPHHHQDHMB-UHFFFAOYSA-N 0 0 400.482 5.077 50 0 HKAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000001167684 557222222 /nfs/dbraw/zinc/22/22/22/557222222.db2.gz UNWKZFDRECPOAD-UHFFFAOYSA-N 0 0 424.456 5.674 50 0 HKAARN COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000001167840 557222226 /nfs/dbraw/zinc/22/22/26/557222226.db2.gz JKOMXAMQWGMMCU-MDWZMJQESA-N 0 0 404.466 5.316 50 0 HKAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001167978 557222167 /nfs/dbraw/zinc/22/21/67/557222167.db2.gz RREAUUZLFGDDSC-UHFFFAOYSA-N 0 0 404.278 5.819 50 0 HKAARN COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001168011 557222187 /nfs/dbraw/zinc/22/21/87/557222187.db2.gz IMHUTDHTVSFSIG-UHFFFAOYSA-N 0 0 420.852 5.599 50 0 HKAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001168091 558775734 /nfs/dbraw/zinc/77/57/34/558775734.db2.gz 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CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000001169771 557223053 /nfs/dbraw/zinc/22/30/53/557223053.db2.gz SLQBIZSUCSJBMU-UHFFFAOYSA-N 0 0 419.481 5.323 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)c1 ZINC000001169804 557223003 /nfs/dbraw/zinc/22/30/03/557223003.db2.gz VIXYCZBGSBARGQ-UHFFFAOYSA-N 0 0 423.925 5.028 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001169853 557223299 /nfs/dbraw/zinc/22/32/99/557223299.db2.gz RJWHYQBMLRVNTG-UHFFFAOYSA-N 0 0 420.512 6.018 50 0 HKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000001169854 557223280 /nfs/dbraw/zinc/22/32/80/557223280.db2.gz JKCKARIXXFAQEF-UHFFFAOYSA-N 0 0 407.495 5.229 50 0 HKAARN Cc1cc(=O)oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc12 ZINC000001169866 560727633 /nfs/dbraw/zinc/72/76/33/560727633.db2.gz IHPDOWRBVCYNHB-UHFFFAOYSA-N 0 0 405.258 5.842 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)oc2c1 ZINC000001169876 557223297 /nfs/dbraw/zinc/22/32/97/557223297.db2.gz 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ZINC000001170036 557223528 /nfs/dbraw/zinc/22/35/28/557223528.db2.gz DDIJFPIHSCAHMJ-UHFFFAOYSA-N 0 0 419.481 5.378 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1C ZINC000001170065 557223575 /nfs/dbraw/zinc/22/35/75/557223575.db2.gz GVOORHVLJMVLFJ-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000001170088 557223594 /nfs/dbraw/zinc/22/35/94/557223594.db2.gz JOKIPMRUQLRFAC-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001170100 557223527 /nfs/dbraw/zinc/22/35/27/557223527.db2.gz DTEPDZMZJLJZCH-UHFFFAOYSA-N 0 0 405.457 6.118 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 ZINC000001170116 560727560 /nfs/dbraw/zinc/72/75/60/560727560.db2.gz ZFRKQLLWDOKHQI-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1-c1nc2ncccc2o1 ZINC000001170138 557223598 /nfs/dbraw/zinc/22/35/98/557223598.db2.gz HANFLTSWGPKJRN-UHFFFAOYSA-N 0 0 415.493 5.513 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)oc2cc1C ZINC000001170142 557223615 /nfs/dbraw/zinc/22/36/15/557223615.db2.gz YSOOYDLFAWXOEW-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000001170210 557223524 /nfs/dbraw/zinc/22/35/24/557223524.db2.gz DGSYOIOGTKFFTD-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1Br ZINC000001170240 557223554 /nfs/dbraw/zinc/22/35/54/557223554.db2.gz YRHUOMJHFMUWES-UHFFFAOYSA-N 0 0 402.675 6.147 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3C)nc2c1 ZINC000001170252 557223553 /nfs/dbraw/zinc/22/35/53/557223553.db2.gz QBVJHWRFJYAKTA-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)oc2c1 ZINC000001170312 557223572 /nfs/dbraw/zinc/22/35/72/557223572.db2.gz LMNQQYJIYBRCOA-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001170350 557223560 /nfs/dbraw/zinc/22/35/60/557223560.db2.gz HXDAQUUVFNNGAU-UHFFFAOYSA-N 0 0 418.246 5.366 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000001170371 569060346 /nfs/dbraw/zinc/06/03/46/569060346.db2.gz NVFXZFUWNGYSIF-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN Cc1ccc(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)cc1Br ZINC000001170393 568821172 /nfs/dbraw/zinc/82/11/72/568821172.db2.gz GUYMUJMFTNAHSX-UHFFFAOYSA-N 0 0 419.278 5.587 50 0 HKAARN O=S(=O)(NC[C@@H](Nc1ccccc1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000001170694 557223795 /nfs/dbraw/zinc/22/37/95/557223795.db2.gz AOJCLGKLEVETEG-HXUWFJFHSA-N 0 0 421.349 5.125 50 0 HKAARN O=S(=O)(NC[C@H](Nc1ccccc1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000001170695 527224794 /nfs/dbraw/zinc/22/47/94/527224794.db2.gz AOJCLGKLEVETEG-FQEVSTJZSA-N 0 0 421.349 5.125 50 0 HKAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1C ZINC000001170946 557224010 /nfs/dbraw/zinc/22/40/10/557224010.db2.gz URLIVJJSKXKCQO-OJKWPBSESA-N 0 0 407.513 5.048 50 0 HKAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1C ZINC000001170949 557224018 /nfs/dbraw/zinc/22/40/18/557224018.db2.gz URLIVJJSKXKCQO-QULSYZCUSA-N 0 0 407.513 5.048 50 0 HKAARN Nc1ccc2nc(SCc3nc4ccccc4n3CCc3ccccc3)sc2c1 ZINC000001170963 558775835 /nfs/dbraw/zinc/77/58/35/558775835.db2.gz PUBRPOMNQJNMOE-UHFFFAOYSA-N 0 0 416.575 5.763 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4ccc(C)cc4)ccc23)cc1 ZINC000001171007 569060323 /nfs/dbraw/zinc/06/03/23/569060323.db2.gz PQQUDYPITHIBGX-UHFFFAOYSA-N 0 0 414.457 5.347 50 0 biogenic HKAARN COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1cccc(Br)c1)N2 ZINC000001171053 557224060 /nfs/dbraw/zinc/22/40/60/557224060.db2.gz LQTWEDIOPZUNFV-OALUTQOASA-N 0 0 404.304 5.255 50 0 HKAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1cccc(Br)c1)N2 ZINC000001171054 557223998 /nfs/dbraw/zinc/22/39/98/557223998.db2.gz LQTWEDIOPZUNFV-RBUKOAKNSA-N 0 0 404.304 5.255 50 0 HKAARN COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1cccc(Br)c1)N2 ZINC000001171055 557224053 /nfs/dbraw/zinc/22/40/53/557224053.db2.gz LQTWEDIOPZUNFV-MOPGFXCFSA-N 0 0 404.304 5.255 50 0 HKAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1cccc(Br)c1)N2 ZINC000001171056 557224020 /nfs/dbraw/zinc/22/40/20/557224020.db2.gz LQTWEDIOPZUNFV-RTBURBONSA-N 0 0 404.304 5.255 50 0 HKAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000001171065 557224075 /nfs/dbraw/zinc/22/40/75/557224075.db2.gz LLTVPUPDMHGHEX-UHFFFAOYSA-N 0 0 403.718 5.172 50 0 HKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000001171072 557223989 /nfs/dbraw/zinc/22/39/89/557223989.db2.gz OILNJMAPBRMRMR-UHFFFAOYSA-N 0 0 417.490 5.020 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000001171080 557224047 /nfs/dbraw/zinc/22/40/47/557224047.db2.gz HOQXSKLNUZWGFU-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)cc1 ZINC000001171118 557224040 /nfs/dbraw/zinc/22/40/40/557224040.db2.gz KKFXSTPYUMZZGA-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000001171163 557223981 /nfs/dbraw/zinc/22/39/81/557223981.db2.gz LCNKFIRJNYHION-UHFFFAOYSA-N 0 0 424.136 5.436 50 0 HKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001171176 557224034 /nfs/dbraw/zinc/22/40/34/557224034.db2.gz XRWDAVWVWWNBKS-UHFFFAOYSA-N 0 0 418.667 6.102 50 0 HKAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000001171317 557224357 /nfs/dbraw/zinc/22/43/57/557224357.db2.gz GXHLTBPTCHOSPT-UHFFFAOYSA-N 0 0 417.490 5.020 50 0 HKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000001171603 557224303 /nfs/dbraw/zinc/22/43/03/557224303.db2.gz UISFPFYTFISIHY-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN O=C(COc1ccc(Br)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000001171664 557224312 /nfs/dbraw/zinc/22/43/12/557224312.db2.gz CWTXAOPYFWLBLO-UHFFFAOYSA-N 0 0 409.494 5.427 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OC)c(O)c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000001171774 557224607 /nfs/dbraw/zinc/22/46/07/557224607.db2.gz BAJHUEAFNBDZMS-UHFFFAOYSA-N 0 0 402.450 5.142 50 0 HKAARN CCOc1cc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)ccc1O ZINC000001171781 557224641 /nfs/dbraw/zinc/22/46/41/557224641.db2.gz ODRNHMQHPXJNEH-UHFFFAOYSA-N 0 0 416.477 5.532 50 0 HKAARN S=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001171836 132240011 /nfs/dbraw/zinc/24/00/11/132240011.db2.gz QZJVOYFLDZYIRZ-UHFFFAOYSA-N 0 0 400.762 5.166 50 0 HKAARN O=C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001171943 557224652 /nfs/dbraw/zinc/22/46/52/557224652.db2.gz JMZTYDTUIDBYHN-UHFFFAOYSA-N 0 0 407.274 5.045 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCC3 ZINC000001172007 569007809 /nfs/dbraw/zinc/00/78/09/569007809.db2.gz RCCCCAOXMQZKQC-UHFFFAOYSA-N 0 0 411.836 5.292 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001172023 557224600 /nfs/dbraw/zinc/22/46/00/557224600.db2.gz UZBIWWAKCOYDQY-UHFFFAOYSA-N 0 0 405.837 5.578 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1nc(-c2ccccc2)cs1)CCCCC3 ZINC000001172053 569007817 /nfs/dbraw/zinc/00/78/17/569007817.db2.gz SUSBBLWJGDCNFD-UHFFFAOYSA-N 0 0 420.563 5.523 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(COc2cccc(Br)c2)c1 ZINC000001172081 557224543 /nfs/dbraw/zinc/22/45/43/557224543.db2.gz UFWPINBTCUWZCD-UHFFFAOYSA-N 0 0 400.247 5.420 50 0 HKAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1cccc(Br)c1 ZINC000001172161 568821342 /nfs/dbraw/zinc/82/13/42/568821342.db2.gz SNAZPCYWSFKKLH-UHFFFAOYSA-N 0 0 409.279 5.085 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000001172205 557224646 /nfs/dbraw/zinc/22/46/46/557224646.db2.gz FROCGMFDIGPCOG-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000001172214 568821260 /nfs/dbraw/zinc/82/12/60/568821260.db2.gz YIRJQKNKKHKCLH-UHFFFAOYSA-N 0 0 417.490 5.020 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001172261 557224934 /nfs/dbraw/zinc/22/49/34/557224934.db2.gz LXUGSKHMAQICLK-UHFFFAOYSA-N 0 0 416.852 5.273 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001172287 557224920 /nfs/dbraw/zinc/22/49/20/557224920.db2.gz LWIRMBPXQCOKCP-UHFFFAOYSA-N 0 0 400.183 6.525 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1C ZINC000001172320 557224966 /nfs/dbraw/zinc/22/49/66/557224966.db2.gz GDUOKVXDVWVVNZ-UHFFFAOYSA-N 0 0 405.885 5.518 50 0 HKAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001172342 568821264 /nfs/dbraw/zinc/82/12/64/568821264.db2.gz NHKOIFLYYRWKCA-UHFFFAOYSA-N 0 0 424.136 5.436 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCC2)C1 ZINC000001172443 557224869 /nfs/dbraw/zinc/22/48/69/557224869.db2.gz GQGXIRLPXNKMQW-AWEZNQCLSA-N 0 0 416.612 5.449 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCC2)C1 ZINC000001172444 557224882 /nfs/dbraw/zinc/22/48/82/557224882.db2.gz GQGXIRLPXNKMQW-CQSZACIVSA-N 0 0 416.612 5.449 50 0 HKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1Cl ZINC000001172468 557224899 /nfs/dbraw/zinc/22/48/99/557224899.db2.gz WYEMVFVFNAYIFJ-UHFFFAOYSA-N 0 0 410.926 5.117 50 0 HKAARN COc1ccc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2c1 ZINC000001172479 568821378 /nfs/dbraw/zinc/82/13/78/568821378.db2.gz IABQDDXAPZAJGH-UHFFFAOYSA-N 0 0 417.530 5.240 50 0 HKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000001172510 557224890 /nfs/dbraw/zinc/22/48/90/557224890.db2.gz OFTDTHMMHPNBPQ-UHFFFAOYSA-N 0 0 418.667 6.102 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1 ZINC000001172617 557225175 /nfs/dbraw/zinc/22/51/75/557225175.db2.gz LNMBGVFMQRZGOW-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000001172619 557225127 /nfs/dbraw/zinc/22/51/27/557225127.db2.gz AGOCETYJFPYVLD-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN COc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000001172670 557225043 /nfs/dbraw/zinc/22/50/43/557225043.db2.gz DCMLXQQURZWSMA-UHFFFAOYSA-N 0 0 404.466 5.877 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000001172677 557225070 /nfs/dbraw/zinc/22/50/70/557225070.db2.gz JIJGDLKBZCPQJO-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000001172685 557225066 /nfs/dbraw/zinc/22/50/66/557225066.db2.gz ARYOTLUHYIIIQD-UHFFFAOYSA-N 0 0 406.825 5.172 50 0 HKAARN COc1ccc(-c2sc(NC(=O)c3ccccc3OC)nc2-c2ccccc2)cc1 ZINC000001172688 557225138 /nfs/dbraw/zinc/22/51/38/557225138.db2.gz BQIFDKBCHFLJMC-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001172695 132240220 /nfs/dbraw/zinc/24/02/20/132240220.db2.gz RGDPSUOGBFYKEZ-UHFFFAOYSA-N 0 0 417.292 5.342 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000001172699 557225133 /nfs/dbraw/zinc/22/51/33/557225133.db2.gz OTQOPQJAVKECDS-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000001172781 557225163 /nfs/dbraw/zinc/22/51/63/557225163.db2.gz HAYPUZXINWIHCR-UHFFFAOYSA-N 0 0 401.491 5.184 50 0 HKAARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1cccc2ccccc21 ZINC000001172808 557225112 /nfs/dbraw/zinc/22/51/12/557225112.db2.gz FZNCRGCJHPJQDC-IBGZPJMESA-N 0 0 413.506 5.169 50 0 HKAARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1cccc2ccccc21 ZINC000001172809 557225049 /nfs/dbraw/zinc/22/50/49/557225049.db2.gz FZNCRGCJHPJQDC-LJQANCHMSA-N 0 0 413.506 5.169 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000001172810 557225150 /nfs/dbraw/zinc/22/51/50/557225150.db2.gz FOOFDQJZVGZLMW-UHFFFAOYSA-N 0 0 411.082 6.268 50 0 HKAARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(OC)cc4)ccc3Cl)nc2c1 ZINC000001172843 557225058 /nfs/dbraw/zinc/22/50/58/557225058.db2.gz LGUKZWHPMGJIFI-UHFFFAOYSA-N 0 0 406.869 5.972 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000001172855 557225183 /nfs/dbraw/zinc/22/51/83/557225183.db2.gz ABEFCULJAMNWNO-UHFFFAOYSA-N 0 0 423.925 5.028 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(F)cc1 ZINC000001172871 557225079 /nfs/dbraw/zinc/22/50/79/557225079.db2.gz HKGPKKZMGSQMRL-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN Cc1cc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)ccc1Br ZINC000001173039 557225452 /nfs/dbraw/zinc/22/54/52/557225452.db2.gz RHRRKHXBLNFJTR-UHFFFAOYSA-N 0 0 421.294 5.747 50 0 HKAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc(Br)c1 ZINC000001173062 568821408 /nfs/dbraw/zinc/82/14/08/568821408.db2.gz WBGAJTYMYIFSQQ-UHFFFAOYSA-N 0 0 405.251 5.279 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000001173099 557225503 /nfs/dbraw/zinc/22/55/03/557225503.db2.gz BRAFAWUZLBIBFL-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1C ZINC000001173114 557225396 /nfs/dbraw/zinc/22/53/96/557225396.db2.gz UGAVKXBONJQNBS-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 ZINC000001173144 568821402 /nfs/dbraw/zinc/82/14/02/568821402.db2.gz APCAEEZZEWDZIQ-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000001173159 568821365 /nfs/dbraw/zinc/82/13/65/568821365.db2.gz INRPYLJGBROKFT-UHFFFAOYSA-N 0 0 407.857 5.583 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 ZINC000001173470 557225801 /nfs/dbraw/zinc/22/58/01/557225801.db2.gz AAKZOROCWMSUJV-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3)nc2c1 ZINC000001173516 557225681 /nfs/dbraw/zinc/22/56/81/557225681.db2.gz AGMAJSOBXFZNOF-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 ZINC000001173529 557225810 /nfs/dbraw/zinc/22/58/10/557225810.db2.gz TWOQFRQCDVPFOT-UHFFFAOYSA-N 0 0 407.857 5.583 50 0 HKAARN CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001173531 557225782 /nfs/dbraw/zinc/22/57/82/557225782.db2.gz MDOQOZVNIFCGQM-ZDUSSCGKSA-N 0 0 402.535 5.040 50 0 HKAARN CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 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/nfs/dbraw/zinc/23/23/67/557232367.db2.gz FEGXKURIJHYMMI-UHFFFAOYSA-N 0 0 418.445 5.289 50 0 HKAARN COc1cccc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)c(=O)oc21 ZINC000001183711 557232324 /nfs/dbraw/zinc/23/23/24/557232324.db2.gz MSTSQXFDLYIDCQ-UHFFFAOYSA-N 0 0 418.396 5.688 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4ccccc4)ccc23)cc1 ZINC000001183726 569060338 /nfs/dbraw/zinc/06/03/38/569060338.db2.gz PZVCQROWVGXYAW-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)c1 ZINC000001183780 557232579 /nfs/dbraw/zinc/23/25/79/557232579.db2.gz ITNGWCPDFXTVAH-UHFFFAOYSA-N 0 0 420.512 6.018 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc32)cc1 ZINC000001183781 557232668 /nfs/dbraw/zinc/23/26/68/557232668.db2.gz KQAPXNWYXOHXBO-UHFFFAOYSA-N 0 0 420.848 5.384 50 0 biogenic HKAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc21)c1ccccc1 ZINC000001183838 569282408 /nfs/dbraw/zinc/28/24/08/569282408.db2.gz MLOCNVNJNKZVIH-UHFFFAOYSA-N 0 0 401.849 5.595 50 0 HKAARN COc1ccc(C(=O)COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)cc1 ZINC000001183865 569060331 /nfs/dbraw/zinc/06/03/31/569060331.db2.gz VLGYXGPNZBWEMW-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccs1 ZINC000001183935 557232596 /nfs/dbraw/zinc/23/25/96/557232596.db2.gz CVUMQYZTRPFBHF-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000001183976 557232687 /nfs/dbraw/zinc/23/26/87/557232687.db2.gz USKGJFYEPGLWOS-UHFFFAOYSA-N 0 0 406.869 5.728 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)oc2cc1C ZINC000001183995 525668431 /nfs/dbraw/zinc/66/84/31/525668431.db2.gz YNVSDZGUZMGFDK-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)cc1 ZINC000001184027 557232679 /nfs/dbraw/zinc/23/26/79/557232679.db2.gz GTMCKHSRVSBFFV-UHFFFAOYSA-N 0 0 407.720 5.787 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)oc2c(C)c1 ZINC000001184028 525668611 /nfs/dbraw/zinc/66/86/11/525668611.db2.gz GFNBJUZDZZODRS-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000001184062 557232674 /nfs/dbraw/zinc/23/26/74/557232674.db2.gz ZSVUJOMWTDFBFN-UHFFFAOYSA-N 0 0 402.450 5.143 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)oc2c(C)c1 ZINC000001184134 557232602 /nfs/dbraw/zinc/23/26/02/557232602.db2.gz YWYLGHIMYAFGNM-UHFFFAOYSA-N 0 0 421.547 5.608 50 0 HKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccs1 ZINC000001184157 557232671 /nfs/dbraw/zinc/23/26/71/557232671.db2.gz XIVMDWMFFDPNAV-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)sc2c1 ZINC000001184195 557233001 /nfs/dbraw/zinc/23/30/01/557233001.db2.gz MNAXNAVPIRAEAH-UHFFFAOYSA-N 0 0 409.561 5.460 50 0 HKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc2c(c1)OCCO2 ZINC000001184201 527139996 /nfs/dbraw/zinc/13/99/96/527139996.db2.gz ZTFMDFKSRLLXJI-UHFFFAOYSA-N 0 0 406.825 5.172 50 0 HKAARN Cc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 ZINC000001184202 557232852 /nfs/dbraw/zinc/23/28/52/557232852.db2.gz NYBZWDANMWKPPJ-UHFFFAOYSA-N 0 0 403.290 6.424 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1C ZINC000001184206 557232963 /nfs/dbraw/zinc/23/29/63/557232963.db2.gz RCRKSROYKVUKFC-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4)c3)oc2c(C)c1 ZINC000001184294 557233022 /nfs/dbraw/zinc/23/30/22/557233022.db2.gz NTNAWTFFVITOIX-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccco1 ZINC000001184301 557232925 /nfs/dbraw/zinc/23/29/25/557232925.db2.gz QYQXCRFQXOCCKF-UHFFFAOYSA-N 0 0 409.656 5.744 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1cccs1 ZINC000001184307 557232883 /nfs/dbraw/zinc/23/28/83/557232883.db2.gz XLFUDXFTZDAQBZ-UHFFFAOYSA-N 0 0 401.285 5.015 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000001184312 557233038 /nfs/dbraw/zinc/23/30/38/557233038.db2.gz CTXSJVJETBVUBP-UHFFFAOYSA-N 0 0 403.309 6.352 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)oc2c(C)c1 ZINC000001184313 557233031 /nfs/dbraw/zinc/23/30/31/557233031.db2.gz HWWVWAPGJZYXFU-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000001184456 557232913 /nfs/dbraw/zinc/23/29/13/557232913.db2.gz URYYGPNXACXLKH-UHFFFAOYSA-N 0 0 420.679 5.836 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(NC2CCCCC2)n1 ZINC000001184517 558775801 /nfs/dbraw/zinc/77/58/01/558775801.db2.gz QNTHBTLYOLFYLP-UHFFFAOYSA-N 0 0 405.317 5.424 50 0 HKAARN Cc1c(O)c(-c2n[nH]cc2-c2cnn(-c3ccccc3)c2)ccc1OCc1ccccc1 ZINC000001184519 557232986 /nfs/dbraw/zinc/23/29/86/557232986.db2.gz MEYHCOCKKTYCDP-UHFFFAOYSA-N 0 0 422.488 5.522 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)c4ccccc4)ccc23)cc1 ZINC000001184570 569060340 /nfs/dbraw/zinc/06/03/40/569060340.db2.gz LNAJOXMSIGLLLP-KRWDZBQOSA-N 0 0 414.457 5.427 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)c4ccccc4)ccc23)cc1 ZINC000001184571 569060348 /nfs/dbraw/zinc/06/03/48/569060348.db2.gz LNAJOXMSIGLLLP-QGZVFWFLSA-N 0 0 414.457 5.427 50 0 biogenic HKAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4C(F)(F)F)n3)cc2c1 ZINC000001184643 557233024 /nfs/dbraw/zinc/23/30/24/557233024.db2.gz OACJZDRTCXFRCN-UHFFFAOYSA-N 0 0 418.396 5.688 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1Cl ZINC000001184677 557232952 /nfs/dbraw/zinc/23/29/52/557232952.db2.gz AQAZMVSHCKPTQG-VMPITWQZSA-N 0 0 401.087 5.416 50 0 HKAARN COc1ccc(COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 ZINC000001184740 569060320 /nfs/dbraw/zinc/06/03/20/569060320.db2.gz KRTBQIJCFHBOCL-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN Cc1oc2cc(OCc3cnn(-c4ccccc4)c3)ccc2c(=O)c1Oc1ccccc1 ZINC000001184807 557232900 /nfs/dbraw/zinc/23/29/00/557232900.db2.gz AMKUYBWXBZVSTP-UHFFFAOYSA-N 0 0 424.456 5.658 50 0 HKAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)ccc2Cl)cc1Cl ZINC000001184922 568822320 /nfs/dbraw/zinc/82/23/20/568822320.db2.gz YMHNRMAASWNKPA-UHFFFAOYSA-N 0 0 405.306 5.868 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001184958 557233148 /nfs/dbraw/zinc/23/31/48/557233148.db2.gz KFZXYTARHBQQEX-UXBLZVDNSA-N 0 0 410.260 5.849 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(I)cc1C ZINC000001185099 557233132 /nfs/dbraw/zinc/23/31/32/557233132.db2.gz GQCICUSGWKLFKA-UHFFFAOYSA-N 0 0 417.246 5.014 50 0 HKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001185105 557233209 /nfs/dbraw/zinc/23/32/09/557233209.db2.gz OUBVLVCMDLQWAD-UHFFFAOYSA-N 0 0 412.622 5.992 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000001185138 557233221 /nfs/dbraw/zinc/23/32/21/557233221.db2.gz YRGILRQTEOHAFP-UHFFFAOYSA-N 0 0 417.130 5.699 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1OC ZINC000001185160 558775759 /nfs/dbraw/zinc/77/57/59/558775759.db2.gz BYDLFROSZXHRPY-UHFFFAOYSA-N 0 0 422.868 5.347 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1 ZINC000001185286 557233139 /nfs/dbraw/zinc/23/31/39/557233139.db2.gz ZZJRQVPNWUEYFN-UHFFFAOYSA-N 0 0 420.921 6.368 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1sc2ccccc2c1Cl ZINC000001185287 557233109 /nfs/dbraw/zinc/23/31/09/557233109.db2.gz PWBYDWFHMTXHCJ-UHFFFAOYSA-N 0 0 404.878 6.615 50 0 HKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1sc2ccccc2c1Cl ZINC000001185320 557233560 /nfs/dbraw/zinc/23/35/60/557233560.db2.gz DDOQFNCMPZOXSB-UHFFFAOYSA-N 0 0 418.909 5.849 50 0 HKAARN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1NC(=O)c1ccccc1 ZINC000001185365 557233656 /nfs/dbraw/zinc/23/36/56/557233656.db2.gz CHRBDVWRXBTQSE-UHFFFAOYSA-N 0 0 420.921 6.368 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001185370 557233512 /nfs/dbraw/zinc/23/35/12/557233512.db2.gz SEOHDSZGYYTVSM-VQHVLOKHSA-N 0 0 410.260 5.849 50 0 HKAARN O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000001185400 557233579 /nfs/dbraw/zinc/23/35/79/557233579.db2.gz XUFQCDAJIKKDRV-HXUWFJFHSA-N 0 0 416.527 5.388 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001185478 560727686 /nfs/dbraw/zinc/72/76/86/560727686.db2.gz FQOWLJQTZCVRTF-ONNFQVAWSA-N 0 0 401.249 5.491 50 0 HKAARN COc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000001185533 557233522 /nfs/dbraw/zinc/23/35/22/557233522.db2.gz JJIFGONMOLXJHD-UHFFFAOYSA-N 0 0 416.304 6.142 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001185571 557233621 /nfs/dbraw/zinc/23/36/21/557233621.db2.gz JPJJBFAUHLIYLN-UHFFFAOYSA-N 0 0 411.244 5.046 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1Cl ZINC000001185613 557233632 /nfs/dbraw/zinc/23/36/32/557233632.db2.gz IPABKMRWOFYKTO-UHFFFAOYSA-N 0 0 406.873 5.033 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001185624 557233608 /nfs/dbraw/zinc/23/36/08/557233608.db2.gz PNHLMDVPZDXVMG-UHFFFAOYSA-N 0 0 411.244 5.046 50 0 HKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 ZINC000001185630 557233517 /nfs/dbraw/zinc/23/35/17/557233517.db2.gz NFTKGFCJZYKCOQ-UHFFFAOYSA-N 0 0 420.852 6.006 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001185662 557233494 /nfs/dbraw/zinc/23/34/94/557233494.db2.gz FDCFEAPKIKWNQA-UHFFFAOYSA-N 0 0 411.082 6.268 50 0 HKAARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1sc2ccccc2c1Cl ZINC000001185700 557233602 /nfs/dbraw/zinc/23/36/02/557233602.db2.gz KGAVJLVSHJTFLI-UHFFFAOYSA-N 0 0 422.872 5.680 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cc(I)ccc1Cl ZINC000001185739 557233488 /nfs/dbraw/zinc/23/34/88/557233488.db2.gz BDMGNEASYXVUKW-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3O)nc2c1 ZINC000001185780 557233762 /nfs/dbraw/zinc/23/37/62/557233762.db2.gz UNJPVOGTKHMISP-UHFFFAOYSA-N 0 0 423.266 5.524 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1 ZINC000001185807 557233755 /nfs/dbraw/zinc/23/37/55/557233755.db2.gz DFXDXQXZWXYOLY-UHFFFAOYSA-N 0 0 414.914 5.288 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccs1 ZINC000001185812 557233752 /nfs/dbraw/zinc/23/37/52/557233752.db2.gz NEFOXHKANYGNIX-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccs1 ZINC000001185843 557233761 /nfs/dbraw/zinc/23/37/61/557233761.db2.gz YBYYBGLAPCQSAY-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001185850 557233794 /nfs/dbraw/zinc/23/37/94/557233794.db2.gz LJZROIBTHCASQQ-UHFFFAOYSA-N 0 0 416.864 6.105 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000001185851 557233749 /nfs/dbraw/zinc/23/37/49/557233749.db2.gz LVUOHQTYLQSTFM-UHFFFAOYSA-N 0 0 404.249 5.682 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001185866 557233776 /nfs/dbraw/zinc/23/37/76/557233776.db2.gz WTISIUMWFHCGEA-UHFFFAOYSA-N 0 0 414.848 6.661 50 0 HKAARN COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000001185878 557233751 /nfs/dbraw/zinc/23/37/51/557233751.db2.gz BETGDIIZLLJTES-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000001185884 557233757 /nfs/dbraw/zinc/23/37/57/557233757.db2.gz GPBYNLVWLFVMDL-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001185888 557233843 /nfs/dbraw/zinc/23/38/43/557233843.db2.gz BJMAUCIOODYQIT-UHFFFAOYSA-N 0 0 422.893 6.166 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001185914 557233780 /nfs/dbraw/zinc/23/37/80/557233780.db2.gz DEABNGKCZKGBJW-UHFFFAOYSA-N 0 0 415.276 5.263 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)oc2c1 ZINC000001185926 557233758 /nfs/dbraw/zinc/23/37/58/557233758.db2.gz NYRRIOXVKWEHRT-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000001185941 557233823 /nfs/dbraw/zinc/23/38/23/557233823.db2.gz LQTILITYHWPIRF-UHFFFAOYSA-N 0 0 422.868 5.732 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000001185962 557233841 /nfs/dbraw/zinc/23/38/41/557233841.db2.gz YVFIRWYDYHXXIH-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN CCN(CC)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001186114 557234211 /nfs/dbraw/zinc/23/42/11/557234211.db2.gz RVOCCJYWUDVJLY-UHFFFAOYSA-N 0 0 401.721 5.511 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000001186177 557234157 /nfs/dbraw/zinc/23/41/57/557234157.db2.gz FQAODZDHVOFTHV-UHFFFAOYSA-N 0 0 407.520 5.246 50 0 HKAARN COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000001186194 557234133 /nfs/dbraw/zinc/23/41/33/557234133.db2.gz HGEYCYGRQOQKHJ-UHFFFAOYSA-N 0 0 404.491 5.298 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)oc2cc1C ZINC000001186235 557234217 /nfs/dbraw/zinc/23/42/17/557234217.db2.gz KTNLIWKFEBASQF-UHFFFAOYSA-N 0 0 421.547 5.608 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccs1 ZINC000001186241 557234212 /nfs/dbraw/zinc/23/42/12/557234212.db2.gz DTUOLVJFVFWONU-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)oc2cc1C ZINC000001186258 557234126 /nfs/dbraw/zinc/23/41/26/557234126.db2.gz UTKLWIKOMIKHRA-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Br)cc1 ZINC000001186273 557234106 /nfs/dbraw/zinc/23/41/06/557234106.db2.gz DMBRMFFATQLBSP-UHFFFAOYSA-N 0 0 419.319 5.917 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000001186293 557234150 /nfs/dbraw/zinc/23/41/50/557234150.db2.gz KXVNHSDMSWPVNF-UHFFFAOYSA-N 0 0 406.825 5.172 50 0 HKAARN CCOc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)cc1 ZINC000001186306 557234142 /nfs/dbraw/zinc/23/41/42/557234142.db2.gz DCKREXSAQNUYAV-UHFFFAOYSA-N 0 0 417.328 5.532 50 0 HKAARN CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Br)cc1 ZINC000001186314 557234200 /nfs/dbraw/zinc/23/42/00/557234200.db2.gz BEAUCQODLBTUMK-UHFFFAOYSA-N 0 0 402.317 5.172 50 0 HKAARN CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(Br)cc1 ZINC000001186367 557234123 /nfs/dbraw/zinc/23/41/23/557234123.db2.gz CENZNYLCVIDBIM-UHFFFAOYSA-N 0 0 407.358 5.839 50 0 HKAARN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 ZINC000001186441 557234179 /nfs/dbraw/zinc/23/41/79/557234179.db2.gz XXYDSTVLHORRMA-UHFFFAOYSA-N 0 0 401.329 5.777 50 0 HKAARN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(F)cc1 ZINC000001186466 557234120 /nfs/dbraw/zinc/23/41/20/557234120.db2.gz HFBCLEQPQRNWRK-UHFFFAOYSA-N 0 0 419.319 5.917 50 0 HKAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000001186480 557234110 /nfs/dbraw/zinc/23/41/10/557234110.db2.gz HMVGNEUCOVYQOJ-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001186506 557234377 /nfs/dbraw/zinc/23/43/77/557234377.db2.gz GTYUVHZGPKQGCC-UHFFFAOYSA-N 0 0 404.691 6.232 50 0 HKAARN CCOc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2C)cc1 ZINC000001186527 557234426 /nfs/dbraw/zinc/23/44/26/557234426.db2.gz FCIPBUMCULXYPF-UHFFFAOYSA-N 0 0 417.328 5.532 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001186601 557234415 /nfs/dbraw/zinc/23/44/15/557234415.db2.gz OPSNMMLVDVIAFS-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 ZINC000001186611 557234393 /nfs/dbraw/zinc/23/43/93/557234393.db2.gz GULFIQOZMJRSIO-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2c1 ZINC000001186645 557234452 /nfs/dbraw/zinc/23/44/52/557234452.db2.gz MMXSRCMHMFRKHD-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000001186652 557234441 /nfs/dbraw/zinc/23/44/41/557234441.db2.gz JSOHPWHXEBJXQO-UHFFFAOYSA-N 0 0 400.478 6.053 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)cc1Cl ZINC000001186662 568822463 /nfs/dbraw/zinc/82/24/63/568822463.db2.gz RZBZWIQLMNRFFW-UHFFFAOYSA-N 0 0 422.868 5.483 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)cc1Cl ZINC000001186706 557234389 /nfs/dbraw/zinc/23/43/89/557234389.db2.gz FBHLFKPIYZBKBH-FARCUNLSSA-N 0 0 401.087 5.416 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000001186713 557234455 /nfs/dbraw/zinc/23/44/55/557234455.db2.gz AXHIRGKLVKREBL-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000001186789 557234381 /nfs/dbraw/zinc/23/43/81/557234381.db2.gz SBPXTKAZMHBDCF-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1cccs1 ZINC000001186828 557234439 /nfs/dbraw/zinc/23/44/39/557234439.db2.gz UQFZVSUYDQVMER-UHFFFAOYSA-N 0 0 401.285 5.015 50 0 HKAARN O=C(CCCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001187527 557234768 /nfs/dbraw/zinc/23/47/68/557234768.db2.gz SMEGULIXMHGBBP-UHFFFAOYSA-N 0 0 410.105 5.448 50 0 HKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ccccc1 ZINC000001188010 557235040 /nfs/dbraw/zinc/23/50/40/557235040.db2.gz JKILXBLLWSHKLM-UHFFFAOYSA-N 0 0 403.550 5.384 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1sc2ccccc2c1Cl ZINC000001188071 557235072 /nfs/dbraw/zinc/23/50/72/557235072.db2.gz 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Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccncc1)CCCCC2 ZINC000001188218 557235021 /nfs/dbraw/zinc/23/50/21/557235021.db2.gz GBAZFKBRFHLRJU-UHFFFAOYSA-N 0 0 405.523 5.225 50 0 HKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 ZINC000001188219 557235035 /nfs/dbraw/zinc/23/50/35/557235035.db2.gz YGFXEYYMQKAHKM-UHFFFAOYSA-N 0 0 404.601 5.593 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(Cl)cc3)n2)cc1OC ZINC000001188248 557235026 /nfs/dbraw/zinc/23/50/26/557235026.db2.gz BTJDPOUZPRRTNS-UHFFFAOYSA-N 0 0 418.880 6.274 50 0 HKAARN Cc1cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc(C)c1Cl ZINC000001188302 558775824 /nfs/dbraw/zinc/77/58/24/558775824.db2.gz PXJQZHFIOCOJKD-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000001188389 557235058 /nfs/dbraw/zinc/23/50/58/557235058.db2.gz QSEJVGBEMXCMGZ-UHFFFAOYSA-N 0 0 411.244 5.046 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 ZINC000001188459 568822558 /nfs/dbraw/zinc/82/25/58/568822558.db2.gz GYUVBQWOGGGPRY-ZDUSSCGKSA-N 0 0 410.564 5.747 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000001188462 568822526 /nfs/dbraw/zinc/82/25/26/568822526.db2.gz GYUVBQWOGGGPRY-CYBMUJFWSA-N 0 0 410.564 5.747 50 0 HKAARN CCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc(OCC)c1OCC ZINC000001188540 557235265 /nfs/dbraw/zinc/23/52/65/557235265.db2.gz WAXMFZVYRIEHLF-UHFFFAOYSA-N 0 0 419.521 5.402 50 0 HKAARN Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc5ccccc54)cc3C2=O)c1 ZINC000001188557 557235361 /nfs/dbraw/zinc/23/53/61/557235361.db2.gz LPQCDRYIXSYIOL-UHFFFAOYSA-N 0 0 406.441 5.201 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000001188565 557235282 /nfs/dbraw/zinc/23/52/82/557235282.db2.gz BJVCPILJBFUGIQ-UHFFFAOYSA-N 0 0 416.868 5.030 50 0 HKAARN CCN(CC)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000001188623 557235273 /nfs/dbraw/zinc/23/52/73/557235273.db2.gz FWJSTCGRJPNTJG-UHFFFAOYSA-N 0 0 404.963 5.405 50 0 HKAARN COc1ccc(C(=O)N2c3cc(C)ccc3[C@@H](Nc3ccc(C)cc3)C[C@H]2C)cc1 ZINC000001188660 132241212 /nfs/dbraw/zinc/24/12/12/132241212.db2.gz ONHBSDZORMIISU-DVECYGJZSA-N 0 0 400.522 5.904 50 0 HKAARN COc1ccc(C(=O)N2c3cc(C)ccc3[C@H](Nc3ccc(C)cc3)C[C@H]2C)cc1 ZINC000001188662 132241263 /nfs/dbraw/zinc/24/12/63/132241263.db2.gz ONHBSDZORMIISU-NTKDMRAZSA-N 0 0 400.522 5.904 50 0 HKAARN COc1ccc(C(=O)N2c3cc(C)ccc3[C@@H](Nc3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000001188664 132241279 /nfs/dbraw/zinc/24/12/79/132241279.db2.gz ONHBSDZORMIISU-CYFREDJKSA-N 0 0 400.522 5.904 50 0 HKAARN COc1ccc(C(=O)N2c3cc(C)ccc3[C@H](Nc3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000001188665 132241286 /nfs/dbraw/zinc/24/12/86/132241286.db2.gz ONHBSDZORMIISU-YADARESESA-N 0 0 400.522 5.904 50 0 HKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000001188673 557235340 /nfs/dbraw/zinc/23/53/40/557235340.db2.gz GRCVPJLVRGARRU-UHFFFAOYSA-N 0 0 410.495 5.123 50 0 HKAARN O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000001188675 557235330 /nfs/dbraw/zinc/23/53/30/557235330.db2.gz WDBGCITVZYKALT-UHFFFAOYSA-N 0 0 416.868 5.030 50 0 HKAARN COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)cc1 ZINC000001188687 557235353 /nfs/dbraw/zinc/23/53/53/557235353.db2.gz PBXNQYHPZXPXJF-UHFFFAOYSA-N 0 0 412.536 5.202 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001188706 557235343 /nfs/dbraw/zinc/23/53/43/557235343.db2.gz RXYILHSINJFCJI-UHFFFAOYSA-N 0 0 411.244 5.046 50 0 HKAARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000001188781 558836471 /nfs/dbraw/zinc/83/64/71/558836471.db2.gz VZOJWNDHAJXBGF-PDGQHHTCSA-N 0 0 401.940 5.306 50 0 HKAARN COC(=O)c1ccc(Oc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000001188798 557235338 /nfs/dbraw/zinc/23/53/38/557235338.db2.gz XAGDAOGFHPQVHN-UHFFFAOYSA-N 0 0 412.445 5.398 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@H](C)C3)c1 ZINC000001188813 557235302 /nfs/dbraw/zinc/23/53/02/557235302.db2.gz CYLWKLKIDFJIQN-AWEZNQCLSA-N 0 0 410.564 5.747 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@@H](C)C3)c1 ZINC000001188814 557235319 /nfs/dbraw/zinc/23/53/19/557235319.db2.gz CYLWKLKIDFJIQN-CQSZACIVSA-N 0 0 410.564 5.747 50 0 HKAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCCCC3)cc1 ZINC000001188838 557235325 /nfs/dbraw/zinc/23/53/25/557235325.db2.gz WWGLLKXCSVSTKT-UHFFFAOYSA-N 0 0 410.495 5.123 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCC(C)CC3)n2)cc1OC ZINC000001188861 132241183 /nfs/dbraw/zinc/24/11/83/132241183.db2.gz CNGDWNKYXGSRLH-UHFFFAOYSA-N 0 0 403.526 5.373 50 0 HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000001188925 557235370 /nfs/dbraw/zinc/23/53/70/557235370.db2.gz DNVCNGYVTGDMKT-UHFFFAOYSA-N 0 0 404.680 6.523 50 0 HKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000001188974 557235576 /nfs/dbraw/zinc/23/55/76/557235576.db2.gz IISMSHBSKNNVFF-UHFFFAOYSA-N 0 0 421.456 5.721 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)o1 ZINC000001189038 557235585 /nfs/dbraw/zinc/23/55/85/557235585.db2.gz QFGUMVBMVJRYGI-DEOSSOPVSA-N 0 0 415.518 5.215 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)o1 ZINC000001189039 557235600 /nfs/dbraw/zinc/23/56/00/557235600.db2.gz QFGUMVBMVJRYGI-XMMPIXPASA-N 0 0 415.518 5.215 50 0 HKAARN S=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCC1 ZINC000001189345 557235583 /nfs/dbraw/zinc/23/55/83/557235583.db2.gz AYOTWHRUNUVPQL-UHFFFAOYSA-N 0 0 410.546 5.756 50 0 HKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000001189499 557235855 /nfs/dbraw/zinc/23/58/55/557235855.db2.gz IPPYINMFUMBCTD-UHFFFAOYSA-N 0 0 421.456 5.721 50 0 HKAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 ZINC000001190356 557235903 /nfs/dbraw/zinc/23/59/03/557235903.db2.gz YYVKMGRMURVAAF-UHFFFAOYSA-N 0 0 409.692 5.128 50 0 HKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3Cl)n2)cc1 ZINC000001190468 557235890 /nfs/dbraw/zinc/23/58/90/557235890.db2.gz ISFRBZPKSDMPSB-UHFFFAOYSA-N 0 0 405.881 6.248 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000001190535 557236255 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O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCCO2 ZINC000001206947 557241567 /nfs/dbraw/zinc/24/15/67/557241567.db2.gz AMGJKMAFTRVZJS-UHFFFAOYSA-N 0 0 406.825 5.172 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)ccc1Cl ZINC000001207015 557241610 /nfs/dbraw/zinc/24/16/10/557241610.db2.gz SZZXCUHVXTZYLG-UHFFFAOYSA-N 0 0 408.841 5.180 50 0 HKAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1 ZINC000001207036 558776032 /nfs/dbraw/zinc/77/60/32/558776032.db2.gz QZQNNOWFRHPGAZ-UHFFFAOYSA-N 0 0 408.885 5.227 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(OC)cc(OC)c4)c3)nc2c1 ZINC000001207088 557241597 /nfs/dbraw/zinc/24/15/97/557241597.db2.gz RVJNTUQJFNJYPV-UHFFFAOYSA-N 0 0 416.477 5.635 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c(C)c1 ZINC000001207100 557241528 /nfs/dbraw/zinc/24/15/28/557241528.db2.gz ZBLCWMMRJDUIQS-UHFFFAOYSA-N 0 0 404.491 5.303 50 0 HKAARN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccco1 ZINC000001207133 557241554 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CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCC2 ZINC000001214489 557245080 /nfs/dbraw/zinc/24/50/80/557245080.db2.gz ZGQUAXWMRFPXDL-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN Cc1cccc(CSCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000001214535 557245073 /nfs/dbraw/zinc/24/50/73/557245073.db2.gz QOSPXURGFXPRKM-UHFFFAOYSA-N 0 0 404.948 5.577 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000001214563 568832526 /nfs/dbraw/zinc/83/25/26/568832526.db2.gz XWMFWVFDPZLSPI-VWLOTQADSA-N 0 0 416.546 5.330 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000001214565 568832531 /nfs/dbraw/zinc/83/25/31/568832531.db2.gz XWMFWVFDPZLSPI-RUZDIDTESA-N 0 0 416.546 5.330 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCC2 ZINC000001214864 557245138 /nfs/dbraw/zinc/24/51/38/557245138.db2.gz YRIHNVPRZREDII-UHFFFAOYSA-N 0 0 400.544 5.263 50 0 HKAARN Cc1cc(-c2ccc(NC(=O)c3cccnc3)c(C)c2)ccc1NC(=O)c1cccnc1 ZINC000001214905 557245444 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CCOC(=O)c1ccccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001215318 557245441 /nfs/dbraw/zinc/24/54/41/557245441.db2.gz KDUWDAYYHRHUMQ-UHFFFAOYSA-N 0 0 419.264 5.386 50 0 HKAARN CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)C1CCCCC1 ZINC000001215380 557245400 /nfs/dbraw/zinc/24/54/00/557245400.db2.gz WFSIZJGTPGOOSO-XJKSGUPXSA-N 0 0 412.481 5.010 50 0 HKAARN CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)C1CCCCC1 ZINC000001215382 557245411 /nfs/dbraw/zinc/24/54/11/557245411.db2.gz WFSIZJGTPGOOSO-CZUORRHYSA-N 0 0 412.481 5.010 50 0 HKAARN CN(C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)C1CCCCC1 ZINC000001215383 557245485 /nfs/dbraw/zinc/24/54/85/557245485.db2.gz WFSIZJGTPGOOSO-BBRMVZONSA-N 0 0 412.481 5.010 50 0 HKAARN CN(C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)C1CCCCC1 ZINC000001215384 557245493 /nfs/dbraw/zinc/24/54/93/557245493.db2.gz WFSIZJGTPGOOSO-CJNGLKHVSA-N 0 0 412.481 5.010 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Br)c1 ZINC000001215524 557245404 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Cc1ccc(C(=O)c2cccc(NC(=O)c3ccccc3Br)c2)cc1C ZINC000001215819 557245708 /nfs/dbraw/zinc/24/57/08/557245708.db2.gz ZMCBKZCCDVQKNG-UHFFFAOYSA-N 0 0 408.295 5.549 50 0 HKAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001215842 557245722 /nfs/dbraw/zinc/24/57/22/557245722.db2.gz MRTCFUOQOQJRMX-UHFFFAOYSA-N 0 0 408.910 6.020 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 ZINC000001215849 557245698 /nfs/dbraw/zinc/24/56/98/557245698.db2.gz NDFGPKYHJKNVMX-UHFFFAOYSA-N 0 0 408.457 5.974 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000001215879 557245695 /nfs/dbraw/zinc/24/56/95/557245695.db2.gz DLDOVYZWOQEOND-UHFFFAOYSA-N 0 0 402.494 5.254 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000001215918 568834571 /nfs/dbraw/zinc/83/45/71/568834571.db2.gz KVMZVHVPGIQHGZ-STZFKDTASA-N 0 0 416.864 5.496 50 0 HKAARN Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001216010 557245718 /nfs/dbraw/zinc/24/57/18/557245718.db2.gz OQQVLEGVFJZQEE-UHFFFAOYSA-N 0 0 415.493 5.513 50 0 HKAARN Cc1cc(-c2ccc(NC(=O)c3ccco3)c(C)c2)ccc1NC(=O)c1ccco1 ZINC000001216043 557245726 /nfs/dbraw/zinc/24/57/26/557245726.db2.gz ZHORGKNQHZRRMV-UHFFFAOYSA-N 0 0 400.434 5.661 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000001216065 557245734 /nfs/dbraw/zinc/24/57/34/557245734.db2.gz CYZVEFLCIZBNBD-UHFFFAOYSA-N 0 0 420.852 5.356 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000001216221 557245756 /nfs/dbraw/zinc/24/57/56/557245756.db2.gz HFPDXPSADIAQMW-UHFFFAOYSA-N 0 0 411.299 5.519 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br ZINC000001216236 557245716 /nfs/dbraw/zinc/24/57/16/557245716.db2.gz DHYBWOYWRIYUAK-UHFFFAOYSA-N 0 0 422.628 5.772 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 ZINC000001216274 557246092 /nfs/dbraw/zinc/24/60/92/557246092.db2.gz PMHRDSAKBAMNHR-UHFFFAOYSA-N 0 0 401.466 5.205 50 0 HKAARN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000001216285 557245963 /nfs/dbraw/zinc/24/59/63/557245963.db2.gz SOVYOODFLQJBEK-UHFFFAOYSA-N 0 0 408.601 5.139 50 0 HKAARN O=C(COc1ccc(Br)cc1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000001216400 557246074 /nfs/dbraw/zinc/24/60/74/557246074.db2.gz SRXLXVNHUGSWED-UHFFFAOYSA-N 0 0 423.266 5.275 50 0 HKAARN CCOc1ccc(-c2nc3cc(NC(=O)COc4ccccc4C)ccc3o2)cc1 ZINC000001216410 557245993 /nfs/dbraw/zinc/24/59/93/557245993.db2.gz BOJIYKBYXKGWAA-UHFFFAOYSA-N 0 0 402.450 5.219 50 0 HKAARN CCCC(=O)Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001216423 557245988 /nfs/dbraw/zinc/24/59/88/557245988.db2.gz HUSICHIKWUNQPE-UHFFFAOYSA-N 0 0 411.299 5.593 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000001216430 557246008 /nfs/dbraw/zinc/24/60/08/557246008.db2.gz GKPSVOYTPQABQQ-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccc(C)c2)CCCC3)cc1 ZINC000001216434 568835423 /nfs/dbraw/zinc/83/54/23/568835423.db2.gz VBDFNVOTGMCZSF-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)c(C)c4)c3)oc2c1 ZINC000001216492 568835359 /nfs/dbraw/zinc/83/53/59/568835359.db2.gz NOCZEXISSPODOK-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)oc2c1 ZINC000001216525 557246003 /nfs/dbraw/zinc/24/60/03/557246003.db2.gz MTMOXZXDZAHQLM-UHFFFAOYSA-N 0 0 402.837 6.455 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1 ZINC000001216561 558776265 /nfs/dbraw/zinc/77/62/65/558776265.db2.gz NWRFZVUSLNOCDP-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 aggregator HKAARN O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000001216586 557246084 /nfs/dbraw/zinc/24/60/84/557246084.db2.gz FZSJWTBDZQOZKK-GIDUJCDVSA-N 0 0 421.294 5.353 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000001216612 557246033 /nfs/dbraw/zinc/24/60/33/557246033.db2.gz TUEIBQMDHBJXEM-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000001216616 557246011 /nfs/dbraw/zinc/24/60/11/557246011.db2.gz BLAAAXMHTCBXDW-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)oc2c(C)c1 ZINC000001216641 560727833 /nfs/dbraw/zinc/72/78/33/560727833.db2.gz SEPURBWESSPKAM-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 ZINC000001216646 557246020 /nfs/dbraw/zinc/24/60/20/557246020.db2.gz SJILKVHJYZZSQF-UHFFFAOYSA-N 0 0 420.896 6.037 50 0 HKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)oc2cc1C ZINC000001216651 557245973 /nfs/dbraw/zinc/24/59/73/557245973.db2.gz OGYMIWLQIATHNR-UHFFFAOYSA-N 0 0 416.864 6.764 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)o1 ZINC000001216671 557245998 /nfs/dbraw/zinc/24/59/98/557245998.db2.gz SSWBRNUMDXYJID-UHFFFAOYSA-N 0 0 419.662 5.200 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000001216693 557246055 /nfs/dbraw/zinc/24/60/55/557246055.db2.gz NSPPLQCBNKPIFD-UHFFFAOYSA-N 0 0 418.667 6.102 50 0 HKAARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 ZINC000001216713 557246404 /nfs/dbraw/zinc/24/64/04/557246404.db2.gz PQBNIXDNVIUGME-UHFFFAOYSA-N 0 0 411.255 5.665 50 0 HKAARN O=C(Nc1cccc2ccccc21)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000001216723 557246379 /nfs/dbraw/zinc/24/63/79/557246379.db2.gz GOAAHKBMFZXSSE-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 ZINC000001216810 560571590 /nfs/dbraw/zinc/57/15/90/560571590.db2.gz MVITVGLZFGRSDJ-UHFFFAOYSA-N 0 0 422.535 5.153 50 0 aggregator HKAARN CC(C)CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001216902 557246317 /nfs/dbraw/zinc/24/63/17/557246317.db2.gz NVUKRCWPXPBQIJ-UHFFFAOYSA-N 0 0 414.461 5.264 50 0 HKAARN O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000001217068 557246383 /nfs/dbraw/zinc/24/63/83/557246383.db2.gz ZTIFJDRKKPALGU-CQSZACIVSA-N 0 0 409.319 5.027 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCCCC1 ZINC000001217182 132242748 /nfs/dbraw/zinc/24/27/48/132242748.db2.gz MOWZLAZRWDAETA-UHFFFAOYSA-N 0 0 420.625 5.282 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001217203 557246416 /nfs/dbraw/zinc/24/64/16/557246416.db2.gz VWCMPKRZCIALEJ-UHFFFAOYSA-N 0 0 415.493 5.513 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)cc1OC ZINC000001217287 557246640 /nfs/dbraw/zinc/24/66/40/557246640.db2.gz WCRDCVMRSMGQKH-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1Cl ZINC000001217391 557246576 /nfs/dbraw/zinc/24/65/76/557246576.db2.gz BSUCHQLAZPWTEQ-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000001217397 557246568 /nfs/dbraw/zinc/24/65/68/557246568.db2.gz CIJLBILCHLFONX-KRWDZBQOSA-N 0 0 424.715 5.222 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000001217398 557246582 /nfs/dbraw/zinc/24/65/82/557246582.db2.gz CIJLBILCHLFONX-QGZVFWFLSA-N 0 0 424.715 5.222 50 0 HKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cccnc1 ZINC000001217463 535431337 /nfs/dbraw/zinc/43/13/37/535431337.db2.gz MVGGJKHCRIJJST-UHFFFAOYSA-N 0 0 414.577 5.895 50 0 HKAARN O=C(Nc1ccc(I)cc1Cl)c1cccc2ccccc21 ZINC000001217504 560727819 /nfs/dbraw/zinc/72/78/19/560727819.db2.gz SHRPIHJJHNLIMM-UHFFFAOYSA-N 0 0 407.638 5.350 50 0 HKAARN COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccco1 ZINC000001217516 557246873 /nfs/dbraw/zinc/24/68/73/557246873.db2.gz VFYKYZDKKSNMJA-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000001217524 557246925 /nfs/dbraw/zinc/24/69/25/557246925.db2.gz VGSDOTUGYBNSNW-UHFFFAOYSA-N 0 0 421.298 5.052 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)cc1 ZINC000001217631 557246885 /nfs/dbraw/zinc/24/68/85/557246885.db2.gz KWMOVVIGLWLUPM-UHFFFAOYSA-N 0 0 421.298 5.052 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000001217650 557246916 /nfs/dbraw/zinc/24/69/16/557246916.db2.gz QIGLNJHNYXEVTJ-UHFFFAOYSA-N 0 0 421.298 5.052 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000001217795 557246929 /nfs/dbraw/zinc/24/69/29/557246929.db2.gz QZWFICQQOXXIST-UHFFFAOYSA-N 0 0 408.910 5.558 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1 ZINC000001217797 557246868 /nfs/dbraw/zinc/24/68/68/557246868.db2.gz YBEGHFKXEPWULT-UHFFFAOYSA-N 0 0 407.322 5.367 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000001217830 557246888 /nfs/dbraw/zinc/24/68/88/557246888.db2.gz DPLNRZODALOKJK-UHFFFAOYSA-N 0 0 404.253 5.168 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000001217845 557246881 /nfs/dbraw/zinc/24/68/81/557246881.db2.gz AITMOZISACYMRW-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001217871 557246891 /nfs/dbraw/zinc/24/68/91/557246891.db2.gz GDRADEAMZFAWML-UHFFFAOYSA-N 0 0 403.301 5.224 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000001217997 557247154 /nfs/dbraw/zinc/24/71/54/557247154.db2.gz HAHAKALDFKFNBX-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000001218013 557247171 /nfs/dbraw/zinc/24/71/71/557247171.db2.gz GFVIFVPGKJWYEB-UHFFFAOYSA-N 0 0 415.276 5.263 50 0 HKAARN CCN(CC)C(=S)Sc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000001218039 557247192 /nfs/dbraw/zinc/24/71/92/557247192.db2.gz WOOHJKMIMPKYPF-UHFFFAOYSA-N 0 0 410.572 5.078 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001218041 557247229 /nfs/dbraw/zinc/24/72/29/557247229.db2.gz LBRUGVQFNKCNMH-UHFFFAOYSA-N 0 0 413.713 6.031 50 0 HKAARN O=C(Nc1ccc(I)cc1Cl)c1ccc2ccccc2c1 ZINC000001218117 560727981 /nfs/dbraw/zinc/72/79/81/560727981.db2.gz FVHRNCQWVXDKLE-UHFFFAOYSA-N 0 0 407.638 5.350 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)c(OC)c1 ZINC000001218119 557247234 /nfs/dbraw/zinc/24/72/34/557247234.db2.gz FALJFPNGNZPPGU-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN COc1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)ccc1NC(=O)c1ccco1 ZINC000001218179 557247220 /nfs/dbraw/zinc/24/72/20/557247220.db2.gz INXCKURAHKVOSN-UHFFFAOYSA-N 0 0 424.840 5.501 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(I)cc1Cl ZINC000001218182 557247140 /nfs/dbraw/zinc/24/71/40/557247140.db2.gz OYVXKLABQRHWSX-UHFFFAOYSA-N 0 0 411.626 5.252 50 0 HKAARN CCSc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)s1 ZINC000001218246 568836545 /nfs/dbraw/zinc/83/65/45/568836545.db2.gz FNLWPXZBHZEUHY-UHFFFAOYSA-N 0 0 422.535 5.126 50 0 HKAARN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1NC(=O)c1ccco1 ZINC000001218432 558776305 /nfs/dbraw/zinc/77/63/05/558776305.db2.gz DOVLQIXXOUGMLN-UHFFFAOYSA-N 0 0 412.445 5.460 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000001218518 557247526 /nfs/dbraw/zinc/24/75/26/557247526.db2.gz ISNLWTOFFCWFEM-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN Cc1cc(OCc2nc(-c3ccc(Cl)cc3Cl)no2)ccc1Br ZINC000001218565 558776213 /nfs/dbraw/zinc/77/62/13/558776213.db2.gz CAOBAQIHESOIFG-UHFFFAOYSA-N 0 0 414.086 5.693 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001218585 557247469 /nfs/dbraw/zinc/24/74/69/557247469.db2.gz FTHXELBMISFWNH-XNWCZRBMSA-N 0 0 416.193 5.008 50 0 HKAARN COc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)cc1Cl ZINC000001218596 557247522 /nfs/dbraw/zinc/24/75/22/557247522.db2.gz NRRSNIDOYWPRIO-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN COc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000001218637 132242910 /nfs/dbraw/zinc/24/29/10/132242910.db2.gz VHYCULXTBHHFCV-HHHXNRCGSA-N 0 0 415.533 5.596 50 0 HKAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000001218727 557247453 /nfs/dbraw/zinc/24/74/53/557247453.db2.gz ZQIKQIMATYSVCR-UHFFFAOYSA-N 0 0 420.921 5.323 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000001218930 557247743 /nfs/dbraw/zinc/24/77/43/557247743.db2.gz RLLQPFXNVYVIKI-UHFFFAOYSA-N 0 0 417.745 5.106 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccc(C)c3)sc3c2CCC3)cc1 ZINC000001218939 557247764 /nfs/dbraw/zinc/24/77/64/557247764.db2.gz UOUHWDKKZPKXQO-UHFFFAOYSA-N 0 0 420.534 5.449 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1C ZINC000001218971 557247707 /nfs/dbraw/zinc/24/77/07/557247707.db2.gz FXYNVKCSAPHBPT-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN COc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2Cl)c1 ZINC000001219030 557247810 /nfs/dbraw/zinc/24/78/10/557247810.db2.gz LNTBGRZQUQRYJE-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN CCCC(=O)Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000001219062 557247793 /nfs/dbraw/zinc/24/77/93/557247793.db2.gz OVAIRMNTTHOFHV-UHFFFAOYSA-N 0 0 411.299 5.593 50 0 HKAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccc(C)c1)CCC2 ZINC000001219069 557247858 /nfs/dbraw/zinc/24/78/58/557247858.db2.gz YQINHCZSKQXLPI-UHFFFAOYSA-N 0 0 406.507 5.058 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001219077 557247833 /nfs/dbraw/zinc/24/78/33/557247833.db2.gz LKHHGCKABIGMQR-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Br)c2)cc1C ZINC000001219994 557248048 /nfs/dbraw/zinc/24/80/48/557248048.db2.gz JURDPBBGZBXYOD-UHFFFAOYSA-N 0 0 423.310 5.571 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1Br ZINC000001220001 557248107 /nfs/dbraw/zinc/24/81/07/557248107.db2.gz POWPMRZVYYXXFL-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1C ZINC000001220010 557248064 /nfs/dbraw/zinc/24/80/64/557248064.db2.gz YPFPUPOXTAWOPF-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1C ZINC000001220025 568837161 /nfs/dbraw/zinc/83/71/61/568837161.db2.gz BTWHOGMYDGPJRR-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001220073 557248200 /nfs/dbraw/zinc/24/82/00/557248200.db2.gz AUDHYYGNUUQVPX-RMKNXTFCSA-N 0 0 406.404 5.544 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(Br)cc1 ZINC000001220146 557248058 /nfs/dbraw/zinc/24/80/58/557248058.db2.gz SDZVQCSYZRXIGL-UHFFFAOYSA-N 0 0 407.720 5.402 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000001220158 557248194 /nfs/dbraw/zinc/24/81/94/557248194.db2.gz WCUOZSNJEUYXHL-UHFFFAOYSA-N 0 0 406.429 5.079 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccs1 ZINC000001220393 557248077 /nfs/dbraw/zinc/24/80/77/557248077.db2.gz CYZGIVUJFKWNLX-UHFFFAOYSA-N 0 0 403.290 6.424 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C(c1ccccc1)c1ccccc1 ZINC000001220876 557248448 /nfs/dbraw/zinc/24/84/48/557248448.db2.gz XMOJURLZKRRKGA-UHFFFAOYSA-N 0 0 402.494 5.644 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000001220907 557248439 /nfs/dbraw/zinc/24/84/39/557248439.db2.gz PYBLXMYSXYXUJO-UHFFFAOYSA-N 0 0 407.322 5.367 50 0 HKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)c1ccccc1 ZINC000001221292 557248417 /nfs/dbraw/zinc/24/84/17/557248417.db2.gz WRNLQRJXEMWHEI-UHFFFAOYSA-N 0 0 405.910 5.563 50 0 HKAARN CC(CC(=O)c1ccc(Br)cc1)CC(=O)c1ccc(Br)cc1 ZINC000001225475 558943306 /nfs/dbraw/zinc/94/33/06/558943306.db2.gz ZIKKAVXADWHKSO-UHFFFAOYSA-N 0 0 424.132 5.694 50 0 HKAARN COc1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccc(C)cc2)cc1 ZINC000001225505 557248886 /nfs/dbraw/zinc/24/88/86/557248886.db2.gz JKWZSDOJMHSMCV-PXLXIMEGSA-N 0 0 420.896 5.067 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001227016 557248878 /nfs/dbraw/zinc/24/88/78/557248878.db2.gz WYXYBDSYXVZHFS-UHFFFAOYSA-N 0 0 407.491 5.355 50 0 HKAARN COc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000001227207 569060334 /nfs/dbraw/zinc/06/03/34/569060334.db2.gz MNPXOZYKXJWBQN-UHFFFAOYSA-N 0 0 409.913 5.708 50 0 biogenic HKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)C(F)(F)F)cc3)cc2)cc1 ZINC000001227840 557249047 /nfs/dbraw/zinc/24/90/47/557249047.db2.gz SMKXCYRGRJBOMI-UHFFFAOYSA-N 0 0 414.383 5.540 50 0 HKAARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000001228457 568868561 /nfs/dbraw/zinc/86/85/61/568868561.db2.gz GIHVLLGPBSDCRL-NEHLPSIOSA-N 0 0 402.475 5.209 50 0 HKAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000001228579 557249036 /nfs/dbraw/zinc/24/90/36/557249036.db2.gz QYKGXVIGMHGPEQ-UHFFFAOYSA-N 0 0 411.457 5.340 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br ZINC000001230139 557249132 /nfs/dbraw/zinc/24/91/32/557249132.db2.gz OEKKYDXOADNYLA-UHFFFAOYSA-N 0 0 422.628 5.447 50 0 HKAARN c1ccc(-c2ccc(Oc3cc(N4CCOCC4)nc(-c4ccccc4)n3)cc2)cc1 ZINC000001230158 132243190 /nfs/dbraw/zinc/24/31/90/132243190.db2.gz LJMLYFHWEGVUNA-UHFFFAOYSA-N 0 0 409.489 5.440 50 0 HKAARN O=S(=O)(Nc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000001230304 568877938 /nfs/dbraw/zinc/87/79/38/568877938.db2.gz NSVCAWMUIVPHHQ-UHFFFAOYSA-N 0 0 404.285 5.042 50 0 HKAARN O=C(COc1ccc2ccccc2c1Br)c1ccc(Br)cc1 ZINC000001230330 568877921 /nfs/dbraw/zinc/87/79/21/568877921.db2.gz SHOMQEGIFRKWEX-UHFFFAOYSA-N 0 0 420.100 5.627 50 0 HKAARN COc1ccc(-c2cc(C(=O)OC(C)C)c3cc(Br)ccc3n2)cc1 ZINC000001230430 569007823 /nfs/dbraw/zinc/00/78/23/569007823.db2.gz WHLSHGWASYVYTI-UHFFFAOYSA-N 0 0 400.272 5.238 50 0 HKAARN CCN(C(=O)c1ccc(C(=O)N(CC)c2ccccc2C)cc1)c1ccccc1C ZINC000001230465 557249478 /nfs/dbraw/zinc/24/94/78/557249478.db2.gz ZFUKXWBGKSIMNP-UHFFFAOYSA-N 0 0 400.522 5.637 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Br)cc1 ZINC000001230638 557249378 /nfs/dbraw/zinc/24/93/78/557249378.db2.gz BRVBYWGWPMFZTJ-UHFFFAOYSA-N 0 0 413.749 5.443 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001230672 557249462 /nfs/dbraw/zinc/24/94/62/557249462.db2.gz HIVYJPXKOMBOQX-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN COc1ccc2nc(NC(=O)CSc3nc4cc(Cl)ccc4s3)sc2c1 ZINC000001230705 557249424 /nfs/dbraw/zinc/24/94/24/557249424.db2.gz ILFBXAVIOLYFCL-UHFFFAOYSA-N 0 0 421.956 5.299 50 0 HKAARN COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC ZINC000001230730 557249402 /nfs/dbraw/zinc/24/94/02/557249402.db2.gz QGJHPJWWBXYYRY-UHFFFAOYSA-N 0 0 405.075 5.025 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2CC)cc1 ZINC000001230854 557249396 /nfs/dbraw/zinc/24/93/96/557249396.db2.gz CZCKMEUMFABMGE-UHFFFAOYSA-N 0 0 400.522 5.933 50 0 HKAARN CC(=O)Nc1c(C)cc(C2(c3cc(C)c(NC(C)=O)c(C)c3)CCCCC2)cc1C ZINC000001230871 557249431 /nfs/dbraw/zinc/24/94/31/557249431.db2.gz PVYGHRRRUHXNJT-UHFFFAOYSA-N 0 0 406.570 6.087 50 0 HKAARN O=C(Nc1ccc(I)cc1F)Nc1cccc2ccccc21 ZINC000001231741 568878536 /nfs/dbraw/zinc/87/85/36/568878536.db2.gz POGSUWFNVQZCMY-UHFFFAOYSA-N 0 0 406.198 5.228 50 0 HKAARN CC(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000001231957 557249559 /nfs/dbraw/zinc/24/95/59/557249559.db2.gz FRHPXIALKDEDHG-UHFFFAOYSA-N 0 0 403.048 5.303 50 0 HKAARN Cc1cc(I)ccc1NC(=O)Nc1cccc2ccccc21 ZINC000001232645 568880735 /nfs/dbraw/zinc/88/07/35/568880735.db2.gz UPBCXUXTIZNVHB-UHFFFAOYSA-N 0 0 402.235 5.397 50 0 HKAARN O=C(Nc1ccc(I)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001232651 557249599 /nfs/dbraw/zinc/24/95/99/557249599.db2.gz BTZCMSGIGMBUGG-UHFFFAOYSA-N 0 0 407.038 5.242 50 0 HKAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000001233159 557250056 /nfs/dbraw/zinc/25/00/56/557250056.db2.gz UJADVRXWVUZLCB-DHIUTWEWSA-N 0 0 419.521 5.147 50 0 HKAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000001233160 557250108 /nfs/dbraw/zinc/25/01/08/557250108.db2.gz UJADVRXWVUZLCB-XZOQPEGZSA-N 0 0 419.521 5.147 50 0 HKAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000001233161 557250033 /nfs/dbraw/zinc/25/00/33/557250033.db2.gz UJADVRXWVUZLCB-PKTZIBPZSA-N 0 0 419.521 5.147 50 0 HKAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000001233162 557249977 /nfs/dbraw/zinc/24/99/77/557249977.db2.gz UJADVRXWVUZLCB-GOTSBHOMSA-N 0 0 419.521 5.147 50 0 HKAARN O=C(CCCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000001233226 568882103 /nfs/dbraw/zinc/88/21/03/568882103.db2.gz IYQWGYLRDQKCFI-UHFFFAOYSA-N 0 0 418.337 5.472 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000001233427 568882053 /nfs/dbraw/zinc/88/20/53/568882053.db2.gz FCHUGWKYFXFFAV-UHFFFAOYSA-N 0 0 416.480 6.498 50 0 HKAARN CCOc1ccc(N[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001233920 568882046 /nfs/dbraw/zinc/88/20/46/568882046.db2.gz RSRQHYZHKSXEPJ-OAHLLOKOSA-N 0 0 402.709 5.015 50 0 HKAARN CCOc1ccc(N[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001233921 568882122 /nfs/dbraw/zinc/88/21/22/568882122.db2.gz RSRQHYZHKSXEPJ-HNNXBMFYSA-N 0 0 402.709 5.015 50 0 HKAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC ZINC000001233944 557250360 /nfs/dbraw/zinc/25/03/60/557250360.db2.gz GTOXQKBWQAEXKA-UHFFFAOYSA-N 0 0 420.490 5.241 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1I ZINC000001234067 557250224 /nfs/dbraw/zinc/25/02/24/557250224.db2.gz VGUZMQQNFYAQSF-UHFFFAOYSA-N 0 0 407.038 5.242 50 0 HKAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(N)=O)c2)c(C(C)(C)CC)c1 ZINC000001234722 568883156 /nfs/dbraw/zinc/88/31/56/568883156.db2.gz ZRVGPUXWHKDSOZ-UHFFFAOYSA-N 0 0 410.558 5.178 50 0 HKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4cccs4)[C@H]2C3(Cl)Cl)cc1 ZINC000001234786 569277406 /nfs/dbraw/zinc/27/74/06/569277406.db2.gz BAXCSTVFRWBGTD-AQNXPRMDSA-N 0 0 403.330 5.980 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)c1 ZINC000001236019 568886174 /nfs/dbraw/zinc/88/61/74/568886174.db2.gz HLWRCSWXRBUKBS-WPFOTENUSA-N 0 0 413.945 5.459 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1 ZINC000001236024 568886123 /nfs/dbraw/zinc/88/61/23/568886123.db2.gz UBOPKOJZKXANGC-BHDDXSALSA-N 0 0 403.975 5.299 50 0 HKAARN S=C(Nc1ccccc1)N1CCN(C(=S)Nc2ccccc2)c2ccccc21 ZINC000001236198 132243239 /nfs/dbraw/zinc/24/32/39/132243239.db2.gz CLWKXUOVIMTBGK-UHFFFAOYSA-N 0 0 404.564 5.107 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccnc2)cc1 ZINC000001236913 569281676 /nfs/dbraw/zinc/28/16/76/569281676.db2.gz FFJCCCDTOBFJLJ-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 ZINC000001239415 568907418 /nfs/dbraw/zinc/90/74/18/568907418.db2.gz RNJFRYRVBUJAEZ-UHFFFAOYSA-N 0 0 419.575 5.910 50 0 HKAARN Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4s3)nc2n1 ZINC000001239449 568907459 /nfs/dbraw/zinc/90/74/59/568907459.db2.gz LNBWCHIOWCRYAN-UHFFFAOYSA-N 0 0 405.346 5.011 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCCC(C)C)n21)C[C@H](C(C)C)OC3 ZINC000001239453 568907478 /nfs/dbraw/zinc/90/74/78/568907478.db2.gz HEIYRINWULZGJY-CYBMUJFWSA-N 0 0 422.645 5.296 50 0 HKAARN Clc1cccc(-n2cc3c(c2)CCc2cn(-c4cccc(Cl)c4)cc2CC3)c1 ZINC000001239750 568907221 /nfs/dbraw/zinc/90/72/21/568907221.db2.gz CUSPUQHTJVFWED-UHFFFAOYSA-N 0 0 407.344 6.459 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1 ZINC000001239907 568907209 /nfs/dbraw/zinc/90/72/09/568907209.db2.gz KXUVBLCNPLSNKA-UHFFFAOYSA-N 0 0 405.548 5.656 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1CCCC2 ZINC000001240299 568907586 /nfs/dbraw/zinc/90/75/86/568907586.db2.gz LBGSEBVOUXHTFQ-UHFFFAOYSA-N 0 0 402.567 5.896 50 0 HKAARN Cc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)c(Cl)c4)n21)CCC3 ZINC000001240333 568907651 /nfs/dbraw/zinc/90/76/51/568907651.db2.gz IRHCTCGBRUBUMV-UHFFFAOYSA-N 0 0 421.378 5.735 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(C(=O)OC)cc3)ccc2oc1C(C)(C)C ZINC000001240830 568907567 /nfs/dbraw/zinc/90/75/67/568907567.db2.gz BJWVWJFHTNRPLL-UHFFFAOYSA-N 0 0 410.466 5.273 50 0 biogenic HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1oc2ccccc2c1C ZINC000001241088 568907909 /nfs/dbraw/zinc/90/79/09/568907909.db2.gz YJGGKFBLCHPMEE-UHFFFAOYSA-N 0 0 419.502 6.207 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1C ZINC000001241362 557250817 /nfs/dbraw/zinc/25/08/17/557250817.db2.gz XYMBAJQJPBGCML-UHFFFAOYSA-N 0 0 403.305 5.228 50 0 HKAARN CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001241518 568907914 /nfs/dbraw/zinc/90/79/14/568907914.db2.gz AGWQQWRGNYSICK-UHFFFAOYSA-N 0 0 406.551 5.422 50 0 biogenic HKAARN CC1(C)Cc2nc3sc4c(ncnc4SCCc4ccccc4)c3cc2CO1 ZINC000001241613 568907759 /nfs/dbraw/zinc/90/77/59/568907759.db2.gz CWEWSOXVBUXGAI-UHFFFAOYSA-N 0 0 407.564 5.426 50 0 HKAARN CCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001241835 568907789 /nfs/dbraw/zinc/90/77/89/568907789.db2.gz BXWBHRNYYAXNPW-UHFFFAOYSA-N 0 0 408.527 5.197 50 0 HKAARN Cc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2 ZINC000001242027 568907756 /nfs/dbraw/zinc/90/77/56/568907756.db2.gz WGJJGZQDEMXPNO-UHFFFAOYSA-N 0 0 401.329 5.059 50 0 HKAARN Clc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000001242164 557250754 /nfs/dbraw/zinc/25/07/54/557250754.db2.gz FKNVWVNUNCHUNV-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(OCC)cc21 ZINC000001242854 568908232 /nfs/dbraw/zinc/90/82/32/568908232.db2.gz ZCLYCVJCDDFNSP-UHFFFAOYSA-N 0 0 402.288 5.277 50 0 HKAARN COc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000001242864 557250743 /nfs/dbraw/zinc/25/07/43/557250743.db2.gz FGCFWCMOSJKQQO-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 ZINC000001243091 568908366 /nfs/dbraw/zinc/90/83/66/568908366.db2.gz GGZPPOOETKRJKK-UHFFFAOYSA-N 0 0 418.518 5.647 50 0 HKAARN O=C(Nc1nnc(COc2ccccc2F)s1)Nc1ccc(Cl)cc1Cl ZINC000001243212 557250766 /nfs/dbraw/zinc/25/07/66/557250766.db2.gz DIWSTQCPEMQBDK-UHFFFAOYSA-N 0 0 413.261 5.207 50 0 HKAARN CCOC(=O)c1c2cc(OCc3cccc(F)c3)ccc2oc1-c1ccc(OC)cc1 ZINC000001243245 568908323 /nfs/dbraw/zinc/90/83/23/568908323.db2.gz PPHDIUJLDBJGQG-UHFFFAOYSA-N 0 0 420.436 6.003 50 0 HKAARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000001243351 568908270 /nfs/dbraw/zinc/90/82/70/568908270.db2.gz KIZUAJDRMFLPPE-UHFFFAOYSA-N 0 0 417.292 6.100 50 0 HKAARN Brc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 ZINC000001243368 569282386 /nfs/dbraw/zinc/28/23/86/569282386.db2.gz AGQVHGPXLGPHHG-UHFFFAOYSA-N 0 0 423.339 5.384 50 0 HKAARN CCCc1nc2sc3c(ncnc3N3CCC(C)CC3)c2c2c1COC(C)(C)C2 ZINC000001243516 132243212 /nfs/dbraw/zinc/24/32/12/132243212.db2.gz HEPXYGFHVAXKID-UHFFFAOYSA-N 0 0 410.587 5.280 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1C ZINC000001243540 557250788 /nfs/dbraw/zinc/25/07/88/557250788.db2.gz QADMXQKPKVFYJD-UHFFFAOYSA-N 0 0 403.305 5.228 50 0 HKAARN CCOC(=O)c1c2cc(OC(=O)c3cccs3)ccc2oc1-c1ccc(OC)cc1 ZINC000001243551 568908436 /nfs/dbraw/zinc/90/84/36/568908436.db2.gz OHHXSLWQCPVLCC-UHFFFAOYSA-N 0 0 422.458 5.566 50 0 HKAARN Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)cc1 ZINC000001243701 568908509 /nfs/dbraw/zinc/90/85/09/568908509.db2.gz KKVGFSRXDAFRLM-LJQANCHMSA-N 0 0 409.283 5.342 50 0 HKAARN Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)cc1 ZINC000001243702 568908484 /nfs/dbraw/zinc/90/84/84/568908484.db2.gz KKVGFSRXDAFRLM-IBGZPJMESA-N 0 0 409.283 5.342 50 0 HKAARN CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc32)cc1 ZINC000001244004 557251183 /nfs/dbraw/zinc/25/11/83/557251183.db2.gz SFZCRDIOHAIEJX-UHFFFAOYSA-N 0 0 412.493 5.228 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000001244513 568908406 /nfs/dbraw/zinc/90/84/06/568908406.db2.gz NFOMZWDRZVIHMF-UHFFFAOYSA-N 0 0 418.566 5.826 50 0 HKAARN COC(=O)COc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000001244562 557251121 /nfs/dbraw/zinc/25/11/21/557251121.db2.gz JHHPCDFSMVAUNR-UHFFFAOYSA-N 0 0 419.868 5.246 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccnc2)cc1 ZINC000001244991 569282376 /nfs/dbraw/zinc/28/23/76/569282376.db2.gz DMMGAUKSJIZDJX-UHFFFAOYSA-N 0 0 402.523 5.329 50 0 HKAARN O=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000001245058 568908401 /nfs/dbraw/zinc/90/84/01/568908401.db2.gz HEGCPHTZVRULIH-GOSISDBHSA-N 0 0 413.246 5.173 50 0 HKAARN O=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000001245059 568908420 /nfs/dbraw/zinc/90/84/20/568908420.db2.gz HEGCPHTZVRULIH-SFHVURJKSA-N 0 0 413.246 5.173 50 0 HKAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC1CCCCC1)c1ccccc1CC2 ZINC000001245156 568908495 /nfs/dbraw/zinc/90/84/95/568908495.db2.gz OJUBTOULITXVKB-UHFFFAOYSA-N 0 0 407.514 5.534 50 0 HKAARN COc1ccc(CSc2nc3sc4c(c3c(N)n2)CC(C)(C)SC4)cc1 ZINC000001245185 568908407 /nfs/dbraw/zinc/90/84/07/568908407.db2.gz FGIOERJYEAVBNS-UHFFFAOYSA-N 0 0 403.598 5.142 50 0 HKAARN COc1ccc(Br)cc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000001245237 560728004 /nfs/dbraw/zinc/72/80/04/560728004.db2.gz JDELULJJXIFMBR-UHFFFAOYSA-N 0 0 403.301 5.142 50 0 HKAARN CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000001245360 557251191 /nfs/dbraw/zinc/25/11/91/557251191.db2.gz AGBGPZBVVPKMTG-CQSZACIVSA-N 0 0 410.543 5.891 50 0 HKAARN CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000001245362 557251053 /nfs/dbraw/zinc/25/10/53/557251053.db2.gz AGBGPZBVVPKMTG-AWEZNQCLSA-N 0 0 410.543 5.891 50 0 HKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000001246554 568908596 /nfs/dbraw/zinc/90/85/96/568908596.db2.gz ZNXPRTRPIOBOBZ-OAQYLSRUSA-N 0 0 407.901 5.293 50 0 HKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000001246555 568908615 /nfs/dbraw/zinc/90/86/15/568908615.db2.gz ZNXPRTRPIOBOBZ-NRFANRHFSA-N 0 0 407.901 5.293 50 0 HKAARN Cc1cccc(C)c1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000001246598 557251047 /nfs/dbraw/zinc/25/10/47/557251047.db2.gz WCAFJXSZRPBTAH-UHFFFAOYSA-N 0 0 423.325 5.685 50 0 HKAARN O=C(N1CCN(c2ccccc2F)CC1)N1c2ccccc2Sc2ccccc21 ZINC000001246628 132243348 /nfs/dbraw/zinc/24/33/48/132243348.db2.gz XWVPGTWJMIHZHA-UHFFFAOYSA-N 0 0 405.498 5.371 50 0 HKAARN CCc1nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c2c2c1CCCC2 ZINC000001246889 557251444 /nfs/dbraw/zinc/25/14/44/557251444.db2.gz CQKSZOBZLMLYLW-UHFFFAOYSA-N 0 0 420.365 5.879 50 0 HKAARN CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000001246951 568908429 /nfs/dbraw/zinc/90/84/29/568908429.db2.gz BPGCABROFVIMKC-UHFFFAOYSA-N 0 0 417.534 5.832 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 ZINC000001247413 568908595 /nfs/dbraw/zinc/90/85/95/568908595.db2.gz WLYUMERUIIJNTN-UHFFFAOYSA-N 0 0 403.507 5.660 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccnc2)cc1 ZINC000001247428 557251394 /nfs/dbraw/zinc/25/13/94/557251394.db2.gz CLFNHLKQKIUVEM-UHFFFAOYSA-N 0 0 422.941 5.674 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nnc(SCc3ccccc3)s2)c(C)c1 ZINC000001247846 569007800 /nfs/dbraw/zinc/00/78/00/569007800.db2.gz VOXMJNZSKARCBL-UHFFFAOYSA-N 0 0 415.609 5.486 50 0 HKAARN COc1cc(C)ccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001248152 568908624 /nfs/dbraw/zinc/90/86/24/568908624.db2.gz RJIWRMXVRMTZRI-UHFFFAOYSA-N 0 0 420.896 5.113 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccccc3F)ccc2oc1-c1ccc(OC)cc1 ZINC000001249405 568908617 /nfs/dbraw/zinc/90/86/17/568908617.db2.gz IDHMGYMPFLUHNQ-UHFFFAOYSA-N 0 0 420.436 6.003 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000001250096 568908880 /nfs/dbraw/zinc/90/88/80/568908880.db2.gz XHNPPIWKJHKESB-UHFFFAOYSA-N 0 0 407.857 5.123 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1C ZINC000001250369 568908894 /nfs/dbraw/zinc/90/88/94/568908894.db2.gz VLYNWGDCTYDCHC-UHFFFAOYSA-N 0 0 419.575 5.965 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 ZINC000001250518 557251375 /nfs/dbraw/zinc/25/13/75/557251375.db2.gz LDPJLDBTGKZXCQ-MRXNPFEDSA-N 0 0 410.473 7.007 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 ZINC000001250519 557251417 /nfs/dbraw/zinc/25/14/17/557251417.db2.gz LDPJLDBTGKZXCQ-INIZCTEOSA-N 0 0 410.473 7.007 50 0 HKAARN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 ZINC000001250596 568908837 /nfs/dbraw/zinc/90/88/37/568908837.db2.gz GJBZRCPSWITMLD-UHFFFAOYSA-N 0 0 404.560 6.107 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000001250741 557251480 /nfs/dbraw/zinc/25/14/80/557251480.db2.gz VSSWHQNTMFVEEE-UHFFFAOYSA-N 0 0 413.717 5.733 50 0 HKAARN Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000001251394 568908867 /nfs/dbraw/zinc/90/88/67/568908867.db2.gz FHCLWXUJVRGXSY-UHFFFAOYSA-N 0 0 419.575 5.416 50 0 HKAARN Cc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)c2cccnc12 ZINC000001251457 132243342 /nfs/dbraw/zinc/24/33/42/132243342.db2.gz ALSDWYMFIKEABT-UHFFFAOYSA-N 0 0 421.500 5.487 50 0 HKAARN CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1NC(=O)c1ccccc1)CCCC3 ZINC000001251466 568908752 /nfs/dbraw/zinc/90/87/52/568908752.db2.gz QUEVIWUKWFZPBX-UHFFFAOYSA-N 0 0 422.550 5.728 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccnc2)cc1 ZINC000001252704 557251803 /nfs/dbraw/zinc/25/18/03/557251803.db2.gz AECVFKXENVIUKA-UHFFFAOYSA-N 0 0 422.941 5.674 50 0 HKAARN O=C1N2CCCN2[C@H](c2ccc(Br)cc2)N1c1cccc2ccccc21 ZINC000001252740 568908996 /nfs/dbraw/zinc/90/89/96/568908996.db2.gz MRJXYMLZHFRGMG-FQEVSTJZSA-N 0 0 408.299 5.164 50 0 HKAARN O=C1N2CCCN2[C@@H](c2ccc(Br)cc2)N1c1cccc2ccccc21 ZINC000001252742 568908991 /nfs/dbraw/zinc/90/89/91/568908991.db2.gz MRJXYMLZHFRGMG-HXUWFJFHSA-N 0 0 408.299 5.164 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2cccnc2)cc1 ZINC000001253636 569282407 /nfs/dbraw/zinc/28/24/07/569282407.db2.gz SVXVEHBBXVFGAX-UHFFFAOYSA-N 0 0 418.522 5.029 50 0 HKAARN Cc1cccc(C)c1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001253813 568908769 /nfs/dbraw/zinc/90/87/69/568908769.db2.gz VEKXEXKMXZIADQ-UHFFFAOYSA-N 0 0 404.897 5.413 50 0 HKAARN Brc1ccc2nc(Nc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000001254137 568908977 /nfs/dbraw/zinc/90/89/77/568908977.db2.gz VDXRSWIJYRHQHR-UHFFFAOYSA-N 0 0 416.282 5.679 50 0 HKAARN Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c1 ZINC000001254336 568908956 /nfs/dbraw/zinc/90/89/56/568908956.db2.gz JJXAFRWVKDJCEF-UHFFFAOYSA-N 0 0 417.534 5.968 50 0 HKAARN Cc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000001254773 568908928 /nfs/dbraw/zinc/90/89/28/568908928.db2.gz DGHMMUVNLKCWAX-UHFFFAOYSA-N 0 0 407.564 5.692 50 0 HKAARN COc1ccccc1Oc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000001254934 568909044 /nfs/dbraw/zinc/90/90/44/568909044.db2.gz GXHBAHLNKANVJN-UHFFFAOYSA-N 0 0 407.267 5.860 50 0 HKAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 ZINC000001255467 568909037 /nfs/dbraw/zinc/90/90/37/568909037.db2.gz PDJKQWYGXBLCMK-UHFFFAOYSA-N 0 0 419.506 5.278 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000001255472 568909030 /nfs/dbraw/zinc/90/90/30/568909030.db2.gz SPWYNCKZDQQITE-NQIIRXRSSA-N 0 0 409.283 5.593 50 0 HKAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 ZINC000001255548 568908951 /nfs/dbraw/zinc/90/89/51/568908951.db2.gz MXCMMJWIFAQVPE-UHFFFAOYSA-N 0 0 419.506 5.278 50 0 HKAARN Cc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000001255553 568908925 /nfs/dbraw/zinc/90/89/25/568908925.db2.gz NKZRRWQTFHYFSV-UHFFFAOYSA-N 0 0 404.897 5.413 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001256089 536548564 /nfs/dbraw/zinc/54/85/64/536548564.db2.gz ZDQCJNBTFQSMAS-UHFFFAOYSA-N 0 0 412.839 5.610 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1C ZINC000001256281 568909098 /nfs/dbraw/zinc/90/90/98/568909098.db2.gz XXQQEZBSQROVDO-UHFFFAOYSA-N 0 0 421.488 5.049 50 0 HKAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000001256632 568909141 /nfs/dbraw/zinc/90/91/41/568909141.db2.gz SUAYJSUNXOUJLR-INIZCTEOSA-N 0 0 419.337 5.393 50 0 HKAARN O=C1C[C@H](c2ccccc2Cl)c2c(sc3c2NC2(CCCCC2)NC3=O)N1 ZINC000001257005 568909196 /nfs/dbraw/zinc/90/91/96/568909196.db2.gz SPDOWDJMIICQCH-GFCCVEGCSA-N 0 0 401.919 5.341 50 0 HKAARN O=C1C[C@@H](c2ccccc2Cl)c2c(sc3c2NC2(CCCCC2)NC3=O)N1 ZINC000001257007 568909159 /nfs/dbraw/zinc/90/91/59/568909159.db2.gz SPDOWDJMIICQCH-LBPRGKRZSA-N 0 0 401.919 5.341 50 0 HKAARN Clc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000001257587 557252132 /nfs/dbraw/zinc/25/21/32/557252132.db2.gz NBYRMFUCNYUWKG-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN CCOc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001257624 568909124 /nfs/dbraw/zinc/90/91/24/568909124.db2.gz BAVZJPCEGCLEAM-UHFFFAOYSA-N 0 0 420.896 5.195 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1oc2ccccc2c1C ZINC000001258071 568909191 /nfs/dbraw/zinc/90/91/91/568909191.db2.gz BWIYXBYCAFWTRW-UHFFFAOYSA-N 0 0 405.475 5.899 50 0 HKAARN O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000001258939 568909112 /nfs/dbraw/zinc/90/91/12/568909112.db2.gz AWPURSNZKSCATR-HXUWFJFHSA-N 0 0 400.478 6.234 50 0 aggregator HKAARN O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000001258943 568909138 /nfs/dbraw/zinc/90/91/38/568909138.db2.gz AWPURSNZKSCATR-FQEVSTJZSA-N 0 0 400.478 6.234 50 0 aggregator HKAARN Cc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)c(C)c3)s2)cc1C ZINC000001259081 557252173 /nfs/dbraw/zinc/25/21/73/557252173.db2.gz VQTGYLDWQAOJAK-UHFFFAOYSA-N 0 0 402.907 5.340 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3Br)s2)cc1C ZINC000001259646 557252224 /nfs/dbraw/zinc/25/22/24/557252224.db2.gz DDSWVXSXICVAQV-UHFFFAOYSA-N 0 0 403.305 5.228 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(C)cc1)c1ccccc21 ZINC000001260282 568909105 /nfs/dbraw/zinc/90/91/05/568909105.db2.gz AQLCMZGDILWPLT-UHFFFAOYSA-N 0 0 401.462 5.344 50 0 HKAARN Cc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)c(C)c1 ZINC000001261329 568909330 /nfs/dbraw/zinc/90/93/30/568909330.db2.gz RWGFSSRKYQGHOS-UHFFFAOYSA-N 0 0 407.539 5.211 50 0 HKAARN Cc1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000001261575 568909285 /nfs/dbraw/zinc/90/92/85/568909285.db2.gz JIRPJPIVMKHQRV-UHFFFAOYSA-N 0 0 421.591 5.734 50 0 HKAARN O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001262329 557252581 /nfs/dbraw/zinc/25/25/81/557252581.db2.gz VYAUQYYFHIUHBU-UHFFFAOYSA-N 0 0 407.278 5.086 50 0 HKAARN O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001262440 568909341 /nfs/dbraw/zinc/90/93/41/568909341.db2.gz DTHJFAKFOVATOQ-UHFFFAOYSA-N 0 0 405.306 5.058 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000001262546 568909313 /nfs/dbraw/zinc/90/93/13/568909313.db2.gz ZLLQYZYHBYBOAT-UHFFFAOYSA-N 0 0 422.868 5.483 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000001262706 560727983 /nfs/dbraw/zinc/72/79/83/560727983.db2.gz JMYWBVYJEQMIEM-UHFFFAOYSA-N 0 0 400.478 5.944 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(Cl)ccc1Cl ZINC000001262726 557252598 /nfs/dbraw/zinc/25/25/98/557252598.db2.gz SSIPDGAGPBIGAE-UHFFFAOYSA-N 0 0 403.231 5.865 50 0 HKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccco1 ZINC000001263935 568909280 /nfs/dbraw/zinc/90/92/80/568909280.db2.gz MRZFVYLBQSCLRN-UHFFFAOYSA-N 0 0 413.911 5.337 50 0 HKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1Cl ZINC000001264199 557252594 /nfs/dbraw/zinc/25/25/94/557252594.db2.gz FWCFXSSWXOAURZ-UHFFFAOYSA-N 0 0 420.900 5.260 50 0 HKAARN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000001264336 568909464 /nfs/dbraw/zinc/90/94/64/568909464.db2.gz HJVMAUASMILKLR-UHFFFAOYSA-N 0 0 407.495 5.229 50 0 HKAARN O=C(Nc1cccc(Br)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001264690 568909479 /nfs/dbraw/zinc/90/94/79/568909479.db2.gz VWEPEDNFJCAGRN-UHFFFAOYSA-N 0 0 411.082 6.268 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl ZINC000001265086 557252848 /nfs/dbraw/zinc/25/28/48/557252848.db2.gz HYSKCUUMZUVIQL-UHFFFAOYSA-N 0 0 412.839 5.610 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)nc2c1 ZINC000001266070 568909476 /nfs/dbraw/zinc/90/94/76/568909476.db2.gz FLZDWTQPAHIWLJ-CQSZACIVSA-N 0 0 405.885 6.309 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)nc2c1 ZINC000001266071 568909475 /nfs/dbraw/zinc/90/94/75/568909475.db2.gz FLZDWTQPAHIWLJ-AWEZNQCLSA-N 0 0 405.885 6.309 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001266378 557252830 /nfs/dbraw/zinc/25/28/30/557252830.db2.gz VHIIJAQPZCGNBM-UHFFFAOYSA-N 0 0 412.839 5.285 50 0 HKAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000001267706 568909477 /nfs/dbraw/zinc/90/94/77/568909477.db2.gz SIJVSJKMHZXFAO-INIZCTEOSA-N 0 0 419.337 5.393 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000001267986 557252924 /nfs/dbraw/zinc/25/29/24/557252924.db2.gz LCJYRPKGFKDGCN-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000001267989 568909469 /nfs/dbraw/zinc/90/94/69/568909469.db2.gz ZTLLNVDWMOJEFA-UHFFFAOYSA-N 0 0 401.466 5.205 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)cc1Cl ZINC000001268375 557252866 /nfs/dbraw/zinc/25/28/66/557252866.db2.gz IVUIFFDSQOKGIF-UHFFFAOYSA-N 0 0 403.231 5.865 50 0 HKAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000001268378 132243562 /nfs/dbraw/zinc/24/35/62/132243562.db2.gz PUYHXGYTGUFCRQ-UHFFFAOYSA-N 0 0 402.922 5.380 50 0 HKAARN Nc1c2ccc(-c3ccc(Br)cc3)nc2sc1C(=O)c1ccccc1 ZINC000001273841 557253121 /nfs/dbraw/zinc/25/31/21/557253121.db2.gz YCZPOLNXGHQZHX-UHFFFAOYSA-N 0 0 409.308 5.539 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000001275088 557253249 /nfs/dbraw/zinc/25/32/49/557253249.db2.gz POPVLQJFAYTPPJ-UHFFFAOYSA-N 0 0 424.481 5.836 50 0 HKAARN CC(C)CCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000001275507 568909846 /nfs/dbraw/zinc/90/98/46/568909846.db2.gz DFYYUCZVDHFAOD-FQEVSTJZSA-N 0 0 410.518 5.003 50 0 HKAARN CC(C)CCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000001275508 568909793 /nfs/dbraw/zinc/90/97/93/568909793.db2.gz DFYYUCZVDHFAOD-HXUWFJFHSA-N 0 0 410.518 5.003 50 0 HKAARN COC(=O)c1cc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)co1 ZINC000001275852 568909839 /nfs/dbraw/zinc/90/98/39/568909839.db2.gz DAAPZVIJBTZKCH-UHFFFAOYSA-N 0 0 410.809 5.072 50 0 HKAARN Oc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000001278561 569006506 /nfs/dbraw/zinc/00/65/06/569006506.db2.gz ABGCGXCLZZXCOT-UHFFFAOYSA-N 0 0 400.150 5.201 50 0 HKAARN Nc1c(Br)cc2oc(-c3ccc(Cl)cc3)nc2c1Br ZINC000001288490 557253537 /nfs/dbraw/zinc/25/35/37/557253537.db2.gz HPNXRBUKMNTVDM-UHFFFAOYSA-N 0 0 402.473 5.255 50 0 HKAARN Cc1cccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 ZINC000001288514 568911392 /nfs/dbraw/zinc/91/13/92/568911392.db2.gz PKXYRLPMOARKIV-UHFFFAOYSA-N 0 0 400.569 5.107 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)Nc1ccccc1 ZINC000001288568 557253645 /nfs/dbraw/zinc/25/36/45/557253645.db2.gz DBIDRJXEYMDOGI-UHFFFAOYSA-N 0 0 411.339 5.781 50 0 HKAARN Brc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000001288614 569282369 /nfs/dbraw/zinc/28/23/69/569282369.db2.gz IWCKJSOBOIUYSP-UHFFFAOYSA-N 0 0 423.339 5.384 50 0 HKAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001292370 568912787 /nfs/dbraw/zinc/91/27/87/568912787.db2.gz FOMZEBIEBOYKJM-INIZCTEOSA-N 0 0 419.337 5.393 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)cc3C)s2)cc1 ZINC000001293476 557253671 /nfs/dbraw/zinc/25/36/71/557253671.db2.gz WEHXYRGLDPXWEX-UHFFFAOYSA-N 0 0 418.906 5.122 50 0 HKAARN COc1cc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)cc(OC)c1 ZINC000001293520 568912830 /nfs/dbraw/zinc/91/28/30/568912830.db2.gz PKPWFKWZZAFEJN-LKUDQCMESA-N 0 0 401.418 5.078 50 0 biogenic HKAARN CC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000001293852 568912952 /nfs/dbraw/zinc/91/29/52/568912952.db2.gz GRJWOWZIFZJCEQ-UHFFFAOYSA-N 0 0 403.865 6.014 50 0 biogenic HKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000001293887 557253679 /nfs/dbraw/zinc/25/36/79/557253679.db2.gz KCYKLNHRIZPQJF-CYBMUJFWSA-N 0 0 416.934 5.928 50 0 HKAARN CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000001293889 557253577 /nfs/dbraw/zinc/25/35/77/557253577.db2.gz KCYKLNHRIZPQJF-ZDUSSCGKSA-N 0 0 416.934 5.928 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)c1 ZINC000001293931 568913048 /nfs/dbraw/zinc/91/30/48/568913048.db2.gz CRUDTTXKWRVJCI-UHFFFAOYSA-N 0 0 422.554 5.201 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)cc1 ZINC000001294516 568912797 /nfs/dbraw/zinc/91/27/97/568912797.db2.gz SEYVYNURYLFZAV-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000001294554 568912844 /nfs/dbraw/zinc/91/28/44/568912844.db2.gz HHSXYDOROIURIP-SFCIDSGNSA-N 0 0 420.593 6.063 50 0 biogenic HKAARN CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccnc2)cc1 ZINC000001294860 557253939 /nfs/dbraw/zinc/25/39/39/557253939.db2.gz ASEZSHNPSNPLHX-UHFFFAOYSA-N 0 0 402.523 5.329 50 0 HKAARN CCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCC1 ZINC000001294966 568912889 /nfs/dbraw/zinc/91/28/89/568912889.db2.gz CNJDFTPJESMHRF-UHFFFAOYSA-N 0 0 415.537 5.265 50 0 HKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NCc1ccccc1 ZINC000001295567 557253825 /nfs/dbraw/zinc/25/38/25/557253825.db2.gz OZFWIKGJXBWLNH-UHFFFAOYSA-N 0 0 415.927 5.013 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3)s2)cc1C ZINC000001295668 557253976 /nfs/dbraw/zinc/25/39/76/557253976.db2.gz PBNCBNAFGUXYKR-UHFFFAOYSA-N 0 0 418.975 5.886 50 0 HKAARN CCCc1nc2sc3c(ncnc3S[C@@H](C)C(=O)OCC)c2c2c1CCCC2 ZINC000001295706 568912983 /nfs/dbraw/zinc/91/29/83/568912983.db2.gz NNTVLCLXXWPPQQ-LBPRGKRZSA-N 0 0 415.584 5.115 50 0 HKAARN CCCc1nc2sc3c(ncnc3S[C@H](C)C(=O)OCC)c2c2c1CCCC2 ZINC000001295707 568913058 /nfs/dbraw/zinc/91/30/58/568913058.db2.gz NNTVLCLXXWPPQQ-GFCCVEGCSA-N 0 0 415.584 5.115 50 0 HKAARN CCOc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001295988 568912958 /nfs/dbraw/zinc/91/29/58/568912958.db2.gz SGNCICGNAJJING-UHFFFAOYSA-N 0 0 420.896 5.195 50 0 HKAARN O=C(c1cccc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000001296057 568912957 /nfs/dbraw/zinc/91/29/57/568912957.db2.gz ZRAUYGYEAHVEAD-JOCHJYFZSA-N 0 0 400.865 6.078 50 0 HKAARN O=C(c1cccc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000001296059 568912969 /nfs/dbraw/zinc/91/29/69/568912969.db2.gz ZRAUYGYEAHVEAD-QFIPXVFZSA-N 0 0 400.865 6.078 50 0 HKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000001296138 568912966 /nfs/dbraw/zinc/91/29/66/568912966.db2.gz WEPIKUCVYNFQOY-UHFFFAOYSA-N 0 0 414.461 6.176 50 0 HKAARN Cn1c2ccccc2nc1-n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000001296399 568913024 /nfs/dbraw/zinc/91/30/24/568913024.db2.gz JFEWFSJPGIYHNP-UHFFFAOYSA-N 0 0 421.287 5.246 50 0 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CC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000001308362 568913536 /nfs/dbraw/zinc/91/35/36/568913536.db2.gz VCXGIPXKFGZGLD-HSZRJFAPSA-N 0 0 421.924 5.639 50 0 HKAARN CC(C)CNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001308536 568913581 /nfs/dbraw/zinc/91/35/81/568913581.db2.gz GQYAXKNNKIHHEA-UHFFFAOYSA-N 0 0 408.527 5.419 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 ZINC000001309958 568913703 /nfs/dbraw/zinc/91/37/03/568913703.db2.gz RFGVKTOCGIAKOM-UHFFFAOYSA-N 0 0 419.575 6.128 50 0 HKAARN C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000001310291 557254903 /nfs/dbraw/zinc/25/49/03/557254903.db2.gz FPFKHHSZIHLJJS-JTQLQIEISA-N 0 0 409.298 5.629 50 0 HKAARN C[C@@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000001310293 557255021 /nfs/dbraw/zinc/25/50/21/557255021.db2.gz FPFKHHSZIHLJJS-SNVBAGLBSA-N 0 0 409.298 5.629 50 0 HKAARN CCOC(=O)c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 ZINC000001310382 132243854 /nfs/dbraw/zinc/24/38/54/132243854.db2.gz BZYROFJBIUSQJV-UHFFFAOYSA-N 0 0 412.283 5.136 50 0 HKAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1F ZINC000001311417 557254909 /nfs/dbraw/zinc/25/49/09/557254909.db2.gz USOGCQCSWGEJED-UHFFFAOYSA-N 0 0 412.218 5.044 50 0 HKAARN CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccccc1Cl ZINC000001311526 568913891 /nfs/dbraw/zinc/91/38/91/568913891.db2.gz TYOOGFZUTDNWMK-UHFFFAOYSA-N 0 0 403.869 5.488 50 0 HKAARN CC(C)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000001311606 557254999 /nfs/dbraw/zinc/25/49/99/557254999.db2.gz PHUVFTYWNNJSDL-UHFFFAOYSA-N 0 0 406.448 5.593 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Br)cc1 ZINC000001311806 568913873 /nfs/dbraw/zinc/91/38/73/568913873.db2.gz ZKPWMNWZBQQLSP-UHFFFAOYSA-N 0 0 413.237 5.320 50 0 HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3)c2)cc1 ZINC000001317134 568913924 /nfs/dbraw/zinc/91/39/24/568913924.db2.gz WLPYBHUMKWQWJL-UHFFFAOYSA-N 0 0 400.430 5.305 50 0 HKAARN COc1ccc(-c2cc3ccc(OCc4ccccc4C)cc3oc2=O)cc1OC ZINC000001317667 557255151 /nfs/dbraw/zinc/25/51/51/557255151.db2.gz BTRAUYPBKSVHOQ-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 ZINC000001317818 568914023 /nfs/dbraw/zinc/91/40/23/568914023.db2.gz FRMLVAXKVHTDOD-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 biogenic HKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)o1 ZINC000001320451 568914156 /nfs/dbraw/zinc/91/41/56/568914156.db2.gz YDIOFZALMPVJPK-SANMLTNESA-N 0 0 417.505 5.027 50 0 HKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C(C)C)ccc3C)C2=O)o1 ZINC000001320452 568914121 /nfs/dbraw/zinc/91/41/21/568914121.db2.gz YDIOFZALMPVJPK-AREMUKBSSA-N 0 0 417.505 5.027 50 0 HKAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4ccccc4c3)C2=O)cc1 ZINC000001320509 568914196 /nfs/dbraw/zinc/91/41/96/568914196.db2.gz FUICWQAPRHSSOE-MUUNZHRXSA-N 0 0 421.496 5.156 50 0 HKAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4ccccc4c3)C2=O)cc1 ZINC000001320510 568914153 /nfs/dbraw/zinc/91/41/53/568914153.db2.gz FUICWQAPRHSSOE-NDEPHWFRSA-N 0 0 421.496 5.156 50 0 HKAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)c1 ZINC000001321263 568914440 /nfs/dbraw/zinc/91/44/40/568914440.db2.gz CBKGMYRKCUOLLZ-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN Cc1ccc([C@@H](CC(=O)NCCc2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001321469 568914527 /nfs/dbraw/zinc/91/45/27/568914527.db2.gz AUNQBWIYTIBORR-AREMUKBSSA-N 0 0 401.550 5.663 50 0 biogenic HKAARN Cc1ccc([C@H](CC(=O)NCCc2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001321470 568914532 /nfs/dbraw/zinc/91/45/32/568914532.db2.gz AUNQBWIYTIBORR-SANMLTNESA-N 0 0 401.550 5.663 50 0 biogenic HKAARN COc1ccccc1[C@H](CCN(Cc1ccco1)C(C)=O)c1ccc(OC(C)C)cc1 ZINC000001321518 568914461 /nfs/dbraw/zinc/91/44/61/568914461.db2.gz UBRQBRSAYMZVFZ-XMMPIXPASA-N 0 0 421.537 5.646 50 0 biogenic HKAARN COc1ccccc1[C@@H](CCN(Cc1ccco1)C(C)=O)c1ccc(OC(C)C)cc1 ZINC000001321519 568914627 /nfs/dbraw/zinc/91/46/27/568914627.db2.gz UBRQBRSAYMZVFZ-DEOSSOPVSA-N 0 0 421.537 5.646 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3Cl)ccc2c1=O ZINC000001321528 568914624 /nfs/dbraw/zinc/91/46/24/568914624.db2.gz UBKYETBLJPZDKQ-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 biogenic HKAARN COc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)cc1 ZINC000001321614 568914476 /nfs/dbraw/zinc/91/44/76/568914476.db2.gz XSMPHZCSHJWFGA-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1OC)c2=O ZINC000001321685 568914560 /nfs/dbraw/zinc/91/45/60/568914560.db2.gz PKSGTZONLSLDOA-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001321687 568914472 /nfs/dbraw/zinc/91/44/72/568914472.db2.gz LIVPLQUWCKYLML-AREMUKBSSA-N 0 0 405.538 5.946 50 0 biogenic HKAARN CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001321688 568914451 /nfs/dbraw/zinc/91/44/51/568914451.db2.gz LIVPLQUWCKYLML-SANMLTNESA-N 0 0 405.538 5.946 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)cc3)ccc2c1=O ZINC000001321812 568914591 /nfs/dbraw/zinc/91/45/91/568914591.db2.gz QYMHDBBIRZMROD-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)c(C)c3)s2)cc1 ZINC000001322065 557255321 /nfs/dbraw/zinc/25/53/21/557255321.db2.gz XKVQJSVWMNWBPW-UHFFFAOYSA-N 0 0 418.906 5.122 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OCc3ccccc3Cl)ccc2c1=O ZINC000001322179 568914662 /nfs/dbraw/zinc/91/46/62/568914662.db2.gz PWUFZKKKHWMSAX-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1ccc([C@@H](CCN(C[C@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 ZINC000001322293 568914802 /nfs/dbraw/zinc/91/48/02/568914802.db2.gz XWVVJKVSQBGTHS-OFVILXPXSA-N 0 0 409.570 5.271 50 0 biogenic HKAARN COc1ccc([C@H](CCN(C[C@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 ZINC000001322294 568914734 /nfs/dbraw/zinc/91/47/34/568914734.db2.gz XWVVJKVSQBGTHS-SQJMNOBHSA-N 0 0 409.570 5.271 50 0 biogenic HKAARN COc1ccc([C@@H](CCN(C[C@@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 ZINC000001322295 568914773 /nfs/dbraw/zinc/91/47/73/568914773.db2.gz XWVVJKVSQBGTHS-BWKNWUBXSA-N 0 0 409.570 5.271 50 0 biogenic HKAARN COc1ccc([C@H](CCN(C[C@@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 ZINC000001322296 568914677 /nfs/dbraw/zinc/91/46/77/568914677.db2.gz XWVVJKVSQBGTHS-PXDATVDWSA-N 0 0 409.570 5.271 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C(C)=O)cc1 ZINC000001322534 568914749 /nfs/dbraw/zinc/91/47/49/568914749.db2.gz HMYMAWNTJABJFM-VWLOTQADSA-N 0 0 417.549 5.469 50 0 biogenic HKAARN COc1ccc(CN(CC[C@H](Cc2ccccc2)c2ccc(OC)cc2)C(C)=O)cc1 ZINC000001322535 568914762 /nfs/dbraw/zinc/91/47/62/568914762.db2.gz HMYMAWNTJABJFM-RUZDIDTESA-N 0 0 417.549 5.469 50 0 biogenic HKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001322571 568914799 /nfs/dbraw/zinc/91/47/99/568914799.db2.gz ODGCNJOZODJNMZ-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001322585 568914688 /nfs/dbraw/zinc/91/46/88/568914688.db2.gz KTMCXBDPKPKSCG-RUZDIDTESA-N 0 0 403.522 5.952 50 0 biogenic HKAARN COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001322586 568914759 /nfs/dbraw/zinc/91/47/59/568914759.db2.gz KTMCXBDPKPKSCG-VWLOTQADSA-N 0 0 403.522 5.952 50 0 biogenic HKAARN COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc32)c(OC)c1 ZINC000001322602 568914658 /nfs/dbraw/zinc/91/46/58/568914658.db2.gz KUUOQSCDYXMSJW-LHLOQNFPSA-N 0 0 417.461 5.367 50 0 biogenic HKAARN COc1ccc(-c2cn3cc(-c4ccc(OC)c(OC)c4)c4c3n2CCCC4)cc1 ZINC000001322647 568914792 /nfs/dbraw/zinc/91/47/92/568914792.db2.gz BMGUQXNMYRHJBI-UHFFFAOYSA-N 0 0 402.494 5.437 50 0 biogenic HKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000001322759 132243871 /nfs/dbraw/zinc/24/38/71/132243871.db2.gz TUTSOCBJGXIYGY-AREMUKBSSA-N 0 0 417.505 5.171 50 0 biogenic HKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000001322760 132243937 /nfs/dbraw/zinc/24/39/37/132243937.db2.gz TUTSOCBJGXIYGY-SANMLTNESA-N 0 0 417.505 5.171 50 0 biogenic HKAARN CCOc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)cc1 ZINC000001322772 568914766 /nfs/dbraw/zinc/91/47/66/568914766.db2.gz RCUWSJZQCLZHTR-LKUDQCMESA-N 0 0 401.418 5.165 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OCc3cccc(Cl)c3)ccc2c1=O ZINC000001322844 568914672 /nfs/dbraw/zinc/91/46/72/568914672.db2.gz XVAFOYSMAUVSAJ-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(OC)c3)c2)cc1 ZINC000001322957 568914926 /nfs/dbraw/zinc/91/49/26/568914926.db2.gz JNRJGBZKHFPNNE-SLEBQGDGSA-N 0 0 415.489 5.975 50 0 HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001322978 568914976 /nfs/dbraw/zinc/91/49/76/568914976.db2.gz RTXCJBCDOYBERV-VWLOTQADSA-N 0 0 405.538 6.028 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001322979 568914890 /nfs/dbraw/zinc/91/48/90/568914890.db2.gz RTXCJBCDOYBERV-RUZDIDTESA-N 0 0 405.538 6.028 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC)cc1)C[C@H]1CCOC(C)(C)C1 ZINC000001323158 568914928 /nfs/dbraw/zinc/91/49/28/568914928.db2.gz LZDDYPLHIJEGQH-OFVILXPXSA-N 0 0 423.597 5.661 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC)cc1)C[C@H]1CCOC(C)(C)C1 ZINC000001323159 568914888 /nfs/dbraw/zinc/91/48/88/568914888.db2.gz LZDDYPLHIJEGQH-SQJMNOBHSA-N 0 0 423.597 5.661 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC)cc1)C[C@@H]1CCOC(C)(C)C1 ZINC000001323160 568914886 /nfs/dbraw/zinc/91/48/86/568914886.db2.gz LZDDYPLHIJEGQH-BWKNWUBXSA-N 0 0 423.597 5.661 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC)cc1)C[C@@H]1CCOC(C)(C)C1 ZINC000001323161 568914958 /nfs/dbraw/zinc/91/49/58/568914958.db2.gz LZDDYPLHIJEGQH-PXDATVDWSA-N 0 0 423.597 5.661 50 0 biogenic HKAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnc(SCC(=O)c2ccccc2)n1 ZINC000001324133 557255275 /nfs/dbraw/zinc/25/52/75/557255275.db2.gz AZOWTOZAYLLREH-UHFFFAOYSA-N 0 0 421.909 5.735 50 0 HKAARN Cc1ccc(NC(=O)N2CCCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000001324219 557255582 /nfs/dbraw/zinc/25/55/82/557255582.db2.gz LLTTWYGCEZIIMV-UHFFFAOYSA-N 0 0 400.935 5.002 50 0 HKAARN O=C(c1ccccc1Br)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001326718 568914239 /nfs/dbraw/zinc/91/42/39/568914239.db2.gz URCNUFBBQLRUOH-UHFFFAOYSA-N 0 0 401.329 5.079 50 0 HKAARN CSc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000001327378 557255539 /nfs/dbraw/zinc/25/55/39/557255539.db2.gz FETMRCAIUYKFLJ-UHFFFAOYSA-N 0 0 400.935 5.350 50 0 HKAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2c1C ZINC000001333007 568915146 /nfs/dbraw/zinc/91/51/46/568915146.db2.gz RHRPBEOYJGFLCC-UHFFFAOYSA-N 0 0 411.474 5.366 50 0 HKAARN Cc1sc2nc(C)nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)c2c1C ZINC000001340332 560575486 /nfs/dbraw/zinc/57/54/86/560575486.db2.gz CQTOZAIAAZDQPU-UHFFFAOYSA-N 0 0 413.612 5.536 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccncc2)nc1-c1ccccc1 ZINC000001381793 568921626 /nfs/dbraw/zinc/92/16/26/568921626.db2.gz DQMQAKKOPQXMIS-UHFFFAOYSA-N 0 0 420.394 5.477 50 0 HKAARN C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381819 132245320 /nfs/dbraw/zinc/24/53/20/132245320.db2.gz CLKIDUWUSJCONU-INIZCTEOSA-N 0 0 424.422 5.288 50 0 HKAARN C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381820 132245368 /nfs/dbraw/zinc/24/53/68/132245368.db2.gz CLKIDUWUSJCONU-MRXNPFEDSA-N 0 0 424.422 5.288 50 0 HKAARN C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381828 132245324 /nfs/dbraw/zinc/24/53/24/132245324.db2.gz FEHLZDLWHOZTGV-HNNXBMFYSA-N 0 0 408.860 5.061 50 0 HKAARN C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381829 132245355 /nfs/dbraw/zinc/24/53/55/132245355.db2.gz FEHLZDLWHOZTGV-OAHLLOKOSA-N 0 0 408.860 5.061 50 0 HKAARN C[C@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381852 132245371 /nfs/dbraw/zinc/24/53/71/132245371.db2.gz DVTDZPPDZPOTPE-IBGZPJMESA-N 0 0 412.533 5.566 50 0 HKAARN C[C@@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381854 132245303 /nfs/dbraw/zinc/24/53/03/132245303.db2.gz DVTDZPPDZPOTPE-LJQANCHMSA-N 0 0 412.533 5.566 50 0 HKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 ZINC000001381908 132245313 /nfs/dbraw/zinc/24/53/13/132245313.db2.gz XOGGCBYHXZUJHQ-QGZVFWFLSA-N 0 0 404.897 5.231 50 0 HKAARN Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(Cl)cc3)C(=O)[C@@H]2C)cc1 ZINC000001381910 132245326 /nfs/dbraw/zinc/24/53/26/132245326.db2.gz XOGGCBYHXZUJHQ-KRWDZBQOSA-N 0 0 404.897 5.231 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000001381986 568921639 /nfs/dbraw/zinc/92/16/39/568921639.db2.gz ZCKIFBCPVBUJNE-UHFFFAOYSA-N 0 0 423.847 6.549 50 0 HKAARN O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccccc2Cl)c[nH]1 ZINC000001382118 568921539 /nfs/dbraw/zinc/92/15/39/568921539.db2.gz DDEFQVKSNJHGLW-UHFFFAOYSA-N 0 0 404.684 5.400 50 0 HKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 ZINC000001382124 568921647 /nfs/dbraw/zinc/92/16/47/568921647.db2.gz HZWQDHFXJDWUSA-UHFFFAOYSA-N 0 0 404.684 5.400 50 0 HKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1Cl ZINC000001382126 568921667 /nfs/dbraw/zinc/92/16/67/568921667.db2.gz KIKBHKHQKQDVRN-UHFFFAOYSA-N 0 0 404.684 5.400 50 0 HKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1c(F)cccc1Cl ZINC000001382131 568921549 /nfs/dbraw/zinc/92/15/49/568921549.db2.gz TXGWCVSCZORSER-UHFFFAOYSA-N 0 0 422.674 5.539 50 0 HKAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 ZINC000001382142 568921819 /nfs/dbraw/zinc/92/18/19/568921819.db2.gz LRQSQUIWBCLXLT-UHFFFAOYSA-N 0 0 404.684 5.400 50 0 HKAARN Cc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn32)cc1 ZINC000001382297 568921782 /nfs/dbraw/zinc/92/17/82/568921782.db2.gz AYEPUKQPOJNJTO-UHFFFAOYSA-N 0 0 421.835 5.318 50 0 HKAARN FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccccc4)n3n2)c(Cl)c1 ZINC000001382299 568921851 /nfs/dbraw/zinc/92/18/51/568921851.db2.gz MIGYHPMXVDRNPC-UHFFFAOYSA-N 0 0 407.808 5.010 50 0 HKAARN O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000001383059 568921817 /nfs/dbraw/zinc/92/18/17/568921817.db2.gz RXERMXCCZZQERE-UHFFFAOYSA-N 0 0 418.543 5.269 50 0 aggregator HKAARN CC1(C)CN(c2ccc(-c3ccnc4c(-c5ccc(Cl)cc5)cnn43)cc2)C1=O ZINC000001383259 568921981 /nfs/dbraw/zinc/92/19/81/568921981.db2.gz JBZOMYLUSPVFHO-UHFFFAOYSA-N 0 0 402.885 5.090 50 0 HKAARN O=C(Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000001383335 568922078 /nfs/dbraw/zinc/92/20/78/568922078.db2.gz MYMPIJVBLUGSTL-UHFFFAOYSA-N 0 0 404.438 6.296 50 0 HKAARN O=C(NCc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000001383344 568922007 /nfs/dbraw/zinc/92/20/07/568922007.db2.gz BDGXCCLLNUINRA-UHFFFAOYSA-N 0 0 418.465 5.974 50 0 HKAARN COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccc(Cl)cc2)cn1 ZINC000001383567 568921802 /nfs/dbraw/zinc/92/18/02/568921802.db2.gz HAJWVWYANCAHMV-CCEZHUSRSA-N 0 0 403.718 5.262 50 0 HKAARN COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccccc2Cl)cn1 ZINC000001383569 568921844 /nfs/dbraw/zinc/92/18/44/568921844.db2.gz UCQIGRAAQLUNDC-CCEZHUSRSA-N 0 0 403.718 5.262 50 0 HKAARN Cc1ccccc1NC(=O)COc1ccc(-c2nccc(-c3cccs3)n2)cc1 ZINC000001383625 568922036 /nfs/dbraw/zinc/92/20/36/568922036.db2.gz LBCAVJSVSFXUBV-UHFFFAOYSA-N 0 0 401.491 5.198 50 0 HKAARN O=C(c1ccccc1)n1ccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000001383661 568922025 /nfs/dbraw/zinc/92/20/25/568922025.db2.gz VZXQIXHVLXYVHC-UHFFFAOYSA-N 0 0 406.844 5.610 50 0 HKAARN O=C(c1ccc(Cl)cc1)n1ccc(-c2nc3ccccc3n2Cc2ccccc2)n1 ZINC000001383760 568922014 /nfs/dbraw/zinc/92/20/14/568922014.db2.gz WTMFUIWRMKTWRR-UHFFFAOYSA-N 0 0 412.880 5.290 50 0 HKAARN Cc1ccc(CSc2nc3c4ccccc4sc3c(N3CCOCC3)n2)cc1 ZINC000001384005 132245528 /nfs/dbraw/zinc/24/55/28/132245528.db2.gz WOUIKNMWILSKIG-UHFFFAOYSA-N 0 0 407.564 5.282 50 0 HKAARN COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000001384033 568922170 /nfs/dbraw/zinc/92/21/70/568922170.db2.gz RYIUETQRLULNFE-UHFFFAOYSA-N 0 0 414.305 5.982 50 0 HKAARN O=C(Nc1cccn2c(-c3ccc(Cl)cc3)cnc12)c1ccc(Cl)cc1Cl ZINC000001384170 568922353 /nfs/dbraw/zinc/92/23/53/568922353.db2.gz NZYZDSYJQZWGLB-UHFFFAOYSA-N 0 0 416.695 6.214 50 0 HKAARN CC1(C)CN(c2cccc(-c3ccnc4c(-c5ccc(Cl)cc5)cnn43)c2)C1=O ZINC000001384428 557258372 /nfs/dbraw/zinc/25/83/72/557258372.db2.gz FIZOZGOJAYHTKL-UHFFFAOYSA-N 0 0 402.885 5.090 50 0 HKAARN COc1ccc(-c2ccc3cc(Br)cc(Br)c3n2)cc1OC ZINC000001384491 568922206 /nfs/dbraw/zinc/92/22/06/568922206.db2.gz MFTWGTDNMDIUHH-UHFFFAOYSA-N 0 0 423.104 5.444 50 0 HKAARN O=C1c2ccccc2C(=O)N1CCc1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001384557 568922204 /nfs/dbraw/zinc/92/22/04/568922204.db2.gz KQYLISUHEDQJSP-UHFFFAOYSA-N 0 0 418.305 5.032 50 0 HKAARN Nc1c(-c2ccc(F)cc2)cnc2nc(SCc3c(Cl)cccc3Cl)nn21 ZINC000001384807 568922172 /nfs/dbraw/zinc/92/21/72/568922172.db2.gz USSDYVPBAZRJIW-UHFFFAOYSA-N 0 0 420.300 5.112 50 0 HKAARN COc1ccc(-c2ccnc3nc(SCc4c(Cl)cccc4Cl)nn32)cc1 ZINC000001384814 568922243 /nfs/dbraw/zinc/92/22/43/568922243.db2.gz OYUVQJKPSCDEAM-UHFFFAOYSA-N 0 0 417.321 5.399 50 0 HKAARN Cc1c2cc(Br)cc(Br)c2oc1C(=O)c1ccc(F)cc1 ZINC000001385002 568922223 /nfs/dbraw/zinc/92/22/23/568922223.db2.gz JUBQBNXOCKZFDE-UHFFFAOYSA-N 0 0 412.052 5.636 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 ZINC000001385082 132245549 /nfs/dbraw/zinc/24/55/49/132245549.db2.gz FFWWDUGLKYMYTQ-OAHLLOKOSA-N 0 0 414.349 5.353 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 ZINC000001385084 132245527 /nfs/dbraw/zinc/24/55/27/132245527.db2.gz FFWWDUGLKYMYTQ-HNNXBMFYSA-N 0 0 414.349 5.353 50 0 HKAARN Cc1cccc(COc2ccccc2C(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000001385101 568922285 /nfs/dbraw/zinc/92/22/85/568922285.db2.gz PCKNBPHACYYGAG-UHFFFAOYSA-N 0 0 402.881 5.644 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1-c1nnc(COc2ccc(Cl)cc2)o1 ZINC000001385335 568922225 /nfs/dbraw/zinc/92/22/25/568922225.db2.gz CZMZGXMYZORAOU-UHFFFAOYSA-N 0 0 402.237 5.586 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1N1CCN(c2c(C)cccc2C)CC1 ZINC000001385395 132245540 /nfs/dbraw/zinc/24/55/40/132245540.db2.gz MZXCDMTWVZGWPP-UHFFFAOYSA-N 0 0 417.553 5.110 50 0 HKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC ZINC000001385514 568922412 /nfs/dbraw/zinc/92/24/12/568922412.db2.gz QHAGVGQANNFIIX-UHFFFAOYSA-N 0 0 423.321 5.695 50 0 HKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1OC ZINC000001385515 568922345 /nfs/dbraw/zinc/92/23/45/568922345.db2.gz UZBQINOAXZDVSA-UHFFFAOYSA-N 0 0 422.428 5.407 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000001385609 568922410 /nfs/dbraw/zinc/92/24/10/568922410.db2.gz VNVRJLCCWPECFJ-VBKZILBWSA-N 0 0 400.261 5.284 50 0 HKAARN O=C(Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl)Oc1ccc(Cl)cc1 ZINC000001385684 568922415 /nfs/dbraw/zinc/92/24/15/568922415.db2.gz PHOVDOQXYWNAND-UHFFFAOYSA-N 0 0 416.186 5.809 50 0 HKAARN Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cc(Cl)ccc1Cl ZINC000001385691 568922365 /nfs/dbraw/zinc/92/23/65/568922365.db2.gz GNZCKIDRWSQRPX-UHFFFAOYSA-N 0 0 416.095 5.442 50 0 HKAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385709 568922417 /nfs/dbraw/zinc/92/24/17/568922417.db2.gz FOCYRKQPCNSEGH-UHFFFAOYSA-N 0 0 416.095 5.442 50 0 HKAARN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385718 568922375 /nfs/dbraw/zinc/92/23/75/568922375.db2.gz LEWVDEUHABCZPQ-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385741 568922367 /nfs/dbraw/zinc/92/23/67/568922367.db2.gz XUVURDOJTGIHLP-UHFFFAOYSA-N 0 0 416.095 5.442 50 0 HKAARN Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385742 568922342 /nfs/dbraw/zinc/92/23/42/568922342.db2.gz JSPHYJJIQSPOQA-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN COC(=O)c1ccc(-c2nc(OCc3ccc(Cl)c(Cl)c3)c(C)s2)cc1 ZINC000001385770 568922354 /nfs/dbraw/zinc/92/23/54/568922354.db2.gz DINWXOUHAKVCBH-UHFFFAOYSA-N 0 0 408.306 5.791 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000001385885 568922537 /nfs/dbraw/zinc/92/25/37/568922537.db2.gz MKDBXWIZJQAGBT-FQEVSTJZSA-N 0 0 410.304 5.584 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000001385886 568922605 /nfs/dbraw/zinc/92/26/05/568922605.db2.gz MKDBXWIZJQAGBT-HXUWFJFHSA-N 0 0 410.304 5.584 50 0 HKAARN C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)C(C)(C)C ZINC000001386007 132245520 /nfs/dbraw/zinc/24/55/20/132245520.db2.gz HYTNFTWYVHYVKB-ZDUSSCGKSA-N 0 0 405.325 5.308 50 0 HKAARN C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)C(C)(C)C ZINC000001386008 132245557 /nfs/dbraw/zinc/24/55/57/132245557.db2.gz HYTNFTWYVHYVKB-CYBMUJFWSA-N 0 0 405.325 5.308 50 0 HKAARN O=C(c1oc2ccccc2c1CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000001386032 568922594 /nfs/dbraw/zinc/92/25/94/568922594.db2.gz WKPVVVYQFBIDKY-UHFFFAOYSA-N 0 0 410.878 5.291 50 0 aggregator HKAARN Cc1nn2c(nccc2-c2ccc(-c3ccc(Cl)cc3Cl)o2)c1Br ZINC000001386150 568922974 /nfs/dbraw/zinc/92/29/74/568922974.db2.gz NMOZFTPADKCYFH-UHFFFAOYSA-N 0 0 423.097 6.034 50 0 HKAARN Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000001386179 568923018 /nfs/dbraw/zinc/92/30/18/568923018.db2.gz UUIKFXRFLUACPU-UHFFFAOYSA-N 0 0 403.330 5.069 50 0 HKAARN O=C(NC1CCCC1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 ZINC000001386302 568922604 /nfs/dbraw/zinc/92/26/04/568922604.db2.gz WYBMFFOFBPDOKL-UHFFFAOYSA-N 0 0 403.501 5.230 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(Nc3ncc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000001386439 568922813 /nfs/dbraw/zinc/92/28/13/568922813.db2.gz VMHHBPAIHCKBAU-UHFFFAOYSA-N 0 0 406.795 5.453 50 0 HKAARN Cc1ccc(C(=O)CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001387020 568922811 /nfs/dbraw/zinc/92/28/11/568922811.db2.gz REISHSIFQJQSOX-UHFFFAOYSA-N 0 0 411.836 5.223 50 0 HKAARN Nc1c(-c2ccc(Cl)cc2)cnc2nc(SCc3c(F)cccc3Cl)nn21 ZINC000001387394 568922967 /nfs/dbraw/zinc/92/29/67/568922967.db2.gz WZPWGUXMDKNPJR-UHFFFAOYSA-N 0 0 420.300 5.112 50 0 HKAARN COc1ccc(COC(=O)Nc2nnsc2Sc2ccc(Cl)cc2)cc1 ZINC000001387846 568923011 /nfs/dbraw/zinc/92/30/11/568923011.db2.gz IPFLAPTWBAJXTN-UHFFFAOYSA-N 0 0 407.904 5.100 50 0 HKAARN O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(Cl)cc1Cl ZINC000001388007 568922913 /nfs/dbraw/zinc/92/29/13/568922913.db2.gz QDXACBYSFDOMHJ-UHFFFAOYSA-N 0 0 417.079 5.238 50 0 HKAARN Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000001388035 568922916 /nfs/dbraw/zinc/92/29/16/568922916.db2.gz SSLMUJWJWRNZED-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3cccc(Cl)c3)c2n1 ZINC000001388036 568922955 /nfs/dbraw/zinc/92/29/55/568922955.db2.gz HRCGDRYAIRJCTC-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN FC(F)(F)c1cnc(-c2cnc(SCc3ccc(Cl)cc3)nc2)c(Cl)c1 ZINC000001388204 568922924 /nfs/dbraw/zinc/92/29/24/568922924.db2.gz ZBZZLDANSFVLGM-UHFFFAOYSA-N 0 0 416.255 6.157 50 0 HKAARN COc1ccc(-c2cnn3cc(-c4ncc(C(F)(F)F)cc4Cl)cnc23)cc1 ZINC000001388212 568922981 /nfs/dbraw/zinc/92/29/81/568922981.db2.gz FSUVJGREXGBZEG-UHFFFAOYSA-N 0 0 404.779 5.139 50 0 HKAARN COc1ccc(Sc2nc(SCc3ccc(Cl)cc3)ncc2OC)cc1 ZINC000001388507 568923176 /nfs/dbraw/zinc/92/31/76/568923176.db2.gz CJAGFZVNMMPXOC-UHFFFAOYSA-N 0 0 404.944 5.591 50 0 HKAARN O=C(c1oc2ccccc2c1CS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000001388653 568923260 /nfs/dbraw/zinc/92/32/60/568923260.db2.gz VJOCMWNXVZYQDH-UHFFFAOYSA-N 0 0 410.878 5.291 50 0 HKAARN O=C(c1oc2ccccc2c1CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001388654 568923321 /nfs/dbraw/zinc/92/33/21/568923321.db2.gz KTTGBSXYQOWAQJ-UHFFFAOYSA-N 0 0 410.878 5.291 50 0 HKAARN COc1ccc(Oc2nc(SCc3ccc(Cl)cc3Cl)ncc2OC)cc1 ZINC000001388679 568923306 /nfs/dbraw/zinc/92/33/06/568923306.db2.gz HVHCKDALWQCNLA-UHFFFAOYSA-N 0 0 423.321 5.885 50 0 HKAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Oc1ccc(F)cc1 ZINC000001388688 568923245 /nfs/dbraw/zinc/92/32/45/568923245.db2.gz VJBPRUMVIWRVHX-UHFFFAOYSA-N 0 0 411.285 6.016 50 0 HKAARN COc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001388774 568923256 /nfs/dbraw/zinc/92/32/56/568923256.db2.gz PXGKTLWCPXDHGY-UHFFFAOYSA-N 0 0 400.503 5.667 50 0 HKAARN Cn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001388792 568923210 /nfs/dbraw/zinc/92/32/10/568923210.db2.gz HZXNSWCKBWQEIH-UHFFFAOYSA-N 0 0 422.937 5.381 50 0 HKAARN Cn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1Cl ZINC000001388801 568923248 /nfs/dbraw/zinc/92/32/48/568923248.db2.gz XHOUWLDHABFEAG-UHFFFAOYSA-N 0 0 422.937 5.381 50 0 HKAARN O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1F ZINC000001388804 568923278 /nfs/dbraw/zinc/92/32/78/568923278.db2.gz OCVRHRYAZLGLQL-UHFFFAOYSA-N 0 0 406.457 5.937 50 0 HKAARN COc1ccc(SCc2c(CSc3ccc(C)cc3)nn(C)c2Cl)cc1 ZINC000001388907 568923203 /nfs/dbraw/zinc/92/32/03/568923203.db2.gz UTCMMLKEMLTPNW-UHFFFAOYSA-N 0 0 404.988 5.975 50 0 HKAARN FC(F)(F)c1cnc(-n2ccc(-c3cnc(-c4ccccc4)s3)n2)c(Cl)c1 ZINC000001389009 568923327 /nfs/dbraw/zinc/92/33/27/568923327.db2.gz MVMQVUQANYJPJG-UHFFFAOYSA-N 0 0 406.820 5.730 50 0 HKAARN Clc1ccc(OCCn2ccc(-c3cnc(-c4ccccc4)s3)n2)c(Cl)c1 ZINC000001389014 568923335 /nfs/dbraw/zinc/92/33/35/568923335.db2.gz AUFPFSHHKXZYAD-UHFFFAOYSA-N 0 0 416.333 6.059 50 0 HKAARN COCc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 ZINC000001389110 568923294 /nfs/dbraw/zinc/92/32/94/568923294.db2.gz UCFMBJLYPBZZQH-UHFFFAOYSA-N 0 0 407.322 6.014 50 0 HKAARN Cc1ccc(CN2C(=O)CCC(C(=O)Nc3cccc(C(F)(F)F)c3)=C2C)cc1 ZINC000001389183 568923268 /nfs/dbraw/zinc/92/32/68/568923268.db2.gz GLURQRACJXKNLS-UHFFFAOYSA-N 0 0 402.416 5.049 50 0 HKAARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Oc1cccc(Cl)c1 ZINC000001389402 568923405 /nfs/dbraw/zinc/92/34/05/568923405.db2.gz PWDFYUJYNFUXOC-UHFFFAOYSA-N 0 0 413.758 5.276 50 0 HKAARN CCOC(=O)c1ccccc1-c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000001389439 557258422 /nfs/dbraw/zinc/25/84/22/557258422.db2.gz YYGZMFBVBAZFFZ-UHFFFAOYSA-N 0 0 420.412 5.258 50 0 HKAARN COc1ccc(NC(=O)c2c3ccccc3n(C)c2Sc2ccc(C)cc2)cc1 ZINC000001389601 568923417 /nfs/dbraw/zinc/92/34/17/568923417.db2.gz HRYQVPKINZYOTJ-UHFFFAOYSA-N 0 0 402.519 5.899 50 0 HKAARN O=C(NC1CC1)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000001389668 568923415 /nfs/dbraw/zinc/92/34/15/568923415.db2.gz 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Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000001393562 568925024 /nfs/dbraw/zinc/92/50/24/568925024.db2.gz LPGLFCABRKJDNP-UHFFFAOYSA-N 0 0 400.532 5.974 50 0 HKAARN COc1ccc(Oc2c(Cl)cnn(-c3c(Cl)cc(F)cc3Cl)c2=O)cc1 ZINC000001393847 568925058 /nfs/dbraw/zinc/92/50/58/568925058.db2.gz MJTRLPMJALCHJY-UHFFFAOYSA-N 0 0 415.635 5.133 50 0 HKAARN CC(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)C(C)=O ZINC000001393863 568925075 /nfs/dbraw/zinc/92/50/75/568925075.db2.gz ZAXVBTJZVOFCEL-UHFFFAOYSA-N 0 0 418.147 6.250 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001394538 568925237 /nfs/dbraw/zinc/92/52/37/568925237.db2.gz XCHHNSJUGPUFLF-UPVQGACJSA-N 0 0 424.972 5.269 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000001394539 568925178 /nfs/dbraw/zinc/92/51/78/568925178.db2.gz XCHHNSJUGPUFLF-LADGPHEKSA-N 0 0 424.972 5.269 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001394540 568925145 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CCOC(=O)c1csc(N(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)n1 ZINC000001395331 568926135 /nfs/dbraw/zinc/92/61/35/568926135.db2.gz KMJGKZDXOSLYAT-UHFFFAOYSA-N 0 0 424.419 5.816 50 0 HKAARN COc1cc2nc(SCc3ccc(C(C)(C)C)cc3)n3nc(C)nc3c2cc1OC ZINC000001396382 568926284 /nfs/dbraw/zinc/92/62/84/568926284.db2.gz HZMXRPNURHYTJP-UHFFFAOYSA-N 0 0 422.554 5.193 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396420 568926252 /nfs/dbraw/zinc/92/62/52/568926252.db2.gz FYQOZNKJMOVJMW-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001396450 568926312 /nfs/dbraw/zinc/92/63/12/568926312.db2.gz PTOKOBIMZNEJOG-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000001396460 568926275 /nfs/dbraw/zinc/92/62/75/568926275.db2.gz MEMIDRSKGNRTJB-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN CN(C(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 ZINC000001396474 568926371 /nfs/dbraw/zinc/92/63/71/568926371.db2.gz BNHQNWMOWPTIMH-UHFFFAOYSA-N 0 0 421.711 5.133 50 0 HKAARN O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396479 568926317 /nfs/dbraw/zinc/92/63/17/568926317.db2.gz KKIOVDFUNJWXPL-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN COC(=O)c1sccc1Oc1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000001396550 557258730 /nfs/dbraw/zinc/25/87/30/557258730.db2.gz OZPAUCDWPALWJM-UHFFFAOYSA-N 0 0 422.306 5.308 50 0 HKAARN O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1 ZINC000001396567 568926488 /nfs/dbraw/zinc/92/64/88/568926488.db2.gz KYWJYATUMSISDB-UHFFFAOYSA-N 0 0 413.221 5.093 50 0 HKAARN O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000001396570 568926518 /nfs/dbraw/zinc/92/65/18/568926518.db2.gz GEMQIENFEPCGCG-UHFFFAOYSA-N 0 0 402.322 5.350 50 0 HKAARN FC(F)(F)c1cccc(COn2c3cccnc3nc2-c2ccc(Cl)cc2)c1 ZINC000001396593 568926456 /nfs/dbraw/zinc/92/64/56/568926456.db2.gz PLTJJZCEJDVESM-UHFFFAOYSA-N 0 0 403.791 5.399 50 0 HKAARN Clc1ccc(-c2nc3ncccc3n2OCc2ccc(Cl)cc2Cl)cc1 ZINC000001396608 568926483 /nfs/dbraw/zinc/92/64/83/568926483.db2.gz MUJJVOPUEWZYCX-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN O=C1C(=CNc2ccc(Cl)cc2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000001396632 568926423 /nfs/dbraw/zinc/92/64/23/568926423.db2.gz UHFPSBBQORDZHL-CSKARUKUSA-N 0 0 402.203 5.140 50 0 HKAARN Cc1c(OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1ccccc1 ZINC000001396712 568926443 /nfs/dbraw/zinc/92/64/43/568926443.db2.gz XURXNBNMWKFZEP-UHFFFAOYSA-N 0 0 401.215 6.085 50 0 HKAARN Cc1c(OCc2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1ccccc1 ZINC000001396728 568926503 /nfs/dbraw/zinc/92/65/03/568926503.db2.gz MFYBCSHLLOYPLZ-UHFFFAOYSA-N 0 0 401.215 6.085 50 0 HKAARN O=C(CSc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1)c1ccccc1 ZINC000001396888 568926508 /nfs/dbraw/zinc/92/65/08/568926508.db2.gz KXQBPIXYAZMDMA-UHFFFAOYSA-N 0 0 409.820 5.186 50 0 HKAARN COc1ccc(-n2ncc(S(=O)(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1 ZINC000001396957 568926493 /nfs/dbraw/zinc/92/64/93/568926493.db2.gz 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/nfs/dbraw/zinc/92/56/92/568925692.db2.gz STYZCWBMZANDJF-UHFFFAOYSA-N 0 0 417.861 5.239 50 0 HKAARN Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)cc(C)c1OC(=O)N(C)C ZINC000001397554 568925820 /nfs/dbraw/zinc/92/58/20/568925820.db2.gz TXJARFVLZQIICC-UHFFFAOYSA-N 0 0 411.445 5.358 50 0 HKAARN COc1cc(-n2c(=O)c3ccc(Cl)cc3nc2SC)c(Cl)cc1Cl ZINC000001397942 568925836 /nfs/dbraw/zinc/92/58/36/568925836.db2.gz NJUDIBFSBYGABX-UHFFFAOYSA-N 0 0 401.702 5.076 50 0 HKAARN Cn1nc(-c2ccccc2)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc21 ZINC000001398198 568925839 /nfs/dbraw/zinc/92/58/39/568925839.db2.gz LWIYXPBWWJKARX-UHFFFAOYSA-N 0 0 401.413 5.573 50 0 HKAARN Cn1nc(CSc2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000001398201 568925833 /nfs/dbraw/zinc/92/58/33/568925833.db2.gz KHRBDJSBBPGECH-UHFFFAOYSA-N 0 0 422.337 5.768 50 0 HKAARN COc1cc(OC)cc(-n2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)c1 ZINC000001398240 568925837 /nfs/dbraw/zinc/92/58/37/568925837.db2.gz SMBWSVZWPLAJBG-UHFFFAOYSA-N 0 0 404.293 5.061 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(Oc2ccc(I)cc2)n1 ZINC000001398393 568925828 /nfs/dbraw/zinc/92/58/28/568925828.db2.gz RSBKWPDXCLUNDK-UHFFFAOYSA-N 0 0 416.140 5.046 50 0 HKAARN Cc1ccc(CS(=O)(=O)c2nc3c(c(Sc4ccc(C)cc4)n2)CCCC3)cc1 ZINC000001398535 568925863 /nfs/dbraw/zinc/92/58/63/568925863.db2.gz VWDJVKJWBSVGBR-UHFFFAOYSA-N 0 0 424.591 5.097 50 0 HKAARN Cc1ccc(C(=O)COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000001398603 568925852 /nfs/dbraw/zinc/92/58/52/568925852.db2.gz QZTXPUKQCZTULS-UHFFFAOYSA-N 0 0 419.830 5.915 50 0 HKAARN Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Br)cc1 ZINC000001398615 568925842 /nfs/dbraw/zinc/92/58/42/568925842.db2.gz MSTCWSNQZJEWEO-UHFFFAOYSA-N 0 0 408.708 5.116 50 0 HKAARN O=C(COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(F)cc1 ZINC000001398616 568925830 /nfs/dbraw/zinc/92/58/30/568925830.db2.gz LMFATHCTZSPSLN-UHFFFAOYSA-N 0 0 423.793 5.745 50 0 HKAARN NC(=O)c1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000001398626 568925826 /nfs/dbraw/zinc/92/58/26/568925826.db2.gz NLNCESZQAJPXDI-UHFFFAOYSA-N 0 0 420.818 5.023 50 0 HKAARN Cc1ccc(NC(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000001398635 568925861 /nfs/dbraw/zinc/92/58/61/568925861.db2.gz VISCYBWZDPJNJL-UHFFFAOYSA-N 0 0 420.818 6.264 50 0 HKAARN CCOC(=O)c1c2ccc(OCc3cccc(C(F)(F)F)c3)cc2n2ccccc12 ZINC000001398645 568925881 /nfs/dbraw/zinc/92/58/81/568925881.db2.gz CIQWQCCCKISODC-UHFFFAOYSA-N 0 0 413.395 5.867 50 0 HKAARN CCOC(=O)c1c2ccc(Oc3snnc3-c3ccccc3)cc2n2ccccc12 ZINC000001398653 568925849 /nfs/dbraw/zinc/92/58/49/568925849.db2.gz AWJKSEPMFJFCOS-UHFFFAOYSA-N 0 0 415.474 5.580 50 0 HKAARN CCOC(=O)c1c2ccc(OCc3c(Cl)cccc3Cl)cc2n2ccccc12 ZINC000001398654 568925829 /nfs/dbraw/zinc/92/58/29/568925829.db2.gz SGQJQDHGOGGWHN-UHFFFAOYSA-N 0 0 414.288 6.155 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)c1ccc(F)cc1 ZINC000001398794 568925834 /nfs/dbraw/zinc/92/58/34/568925834.db2.gz LJRCEWICAIKNIT-UHFFFAOYSA-N 0 0 401.485 5.013 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)c1c(F)cccc1F ZINC000001398796 568925875 /nfs/dbraw/zinc/92/58/75/568925875.db2.gz HYXYGDUZUHBOEN-UHFFFAOYSA-N 0 0 419.475 5.152 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)c1ccccc1Cl ZINC000001398800 568925853 /nfs/dbraw/zinc/92/58/53/568925853.db2.gz XXNSXPYQRLEKHA-UHFFFAOYSA-N 0 0 417.940 5.527 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)c1cccc(Cl)c1 ZINC000001398803 568925835 /nfs/dbraw/zinc/92/58/35/568925835.db2.gz CLTAFZCGIWFLLV-UHFFFAOYSA-N 0 0 417.940 5.527 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(C)cc1 ZINC000001398813 568926007 /nfs/dbraw/zinc/92/60/07/568926007.db2.gz NHGJMKGCQXZTPH-UHFFFAOYSA-N 0 0 412.537 5.574 50 0 HKAARN Clc1cccc(Cl)c1CSc1nnc(-c2sccc2-n2cccc2)o1 ZINC000001398818 568926022 /nfs/dbraw/zinc/92/60/22/568926022.db2.gz NHKJHJCIEJFVLY-UHFFFAOYSA-N 0 0 408.335 6.188 50 0 HKAARN FC(F)(F)c1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1 ZINC000001398822 568926027 /nfs/dbraw/zinc/92/60/27/568926027.db2.gz FLUGICUNQYGZNY-UHFFFAOYSA-N 0 0 407.442 5.900 50 0 HKAARN O=C(CSc1nnc(-c2sccc2-n2cccc2)o1)c1ccc(Cl)cc1 ZINC000001398824 568926010 /nfs/dbraw/zinc/92/60/10/568926010.db2.gz FKOALCUTOSJVKR-UHFFFAOYSA-N 0 0 401.900 5.217 50 0 HKAARN O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000001399218 568926044 /nfs/dbraw/zinc/92/60/44/568926044.db2.gz RCTXSMPWBXDKCK-UHFFFAOYSA-N 0 0 409.892 5.058 50 0 HKAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c2ccccc2nc1C(F)(F)F ZINC000001399302 568926000 /nfs/dbraw/zinc/92/60/00/568926000.db2.gz ADDBGKDAWPWZJL-JTQLQIEISA-N 0 0 401.310 5.274 50 0 HKAARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c2ccccc2nc1C(F)(F)F ZINC000001399303 568926016 /nfs/dbraw/zinc/92/60/16/568926016.db2.gz ADDBGKDAWPWZJL-SNVBAGLBSA-N 0 0 401.310 5.274 50 0 HKAARN O=C(C=Cc1ccccc1)N1CCC(c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000001399627 568926002 /nfs/dbraw/zinc/92/60/02/568926002.db2.gz YUOWPNXGYZOMOT-BUHFOSPRSA-N 0 0 407.517 5.649 50 0 HKAARN O=C(c1cc(-c2ccccn2)c(N2CCOCC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000001399994 568926013 /nfs/dbraw/zinc/92/60/13/568926013.db2.gz UXPZZGHVSYVHDK-UHFFFAOYSA-N 0 0 419.333 5.185 50 0 HKAARN CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1 ZINC000001400050 568926006 /nfs/dbraw/zinc/92/60/06/568926006.db2.gz ARGQRQILNLOQOL-UHFFFAOYSA-N 0 0 421.711 5.133 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000001400078 568926231 /nfs/dbraw/zinc/92/62/31/568926231.db2.gz OXVGXSFAEFILKT-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000001400080 568926149 /nfs/dbraw/zinc/92/61/49/568926149.db2.gz KVVMOZRGWPPYRT-UHFFFAOYSA-N 0 0 407.684 5.109 50 0 HKAARN CC(C)CC(=O)Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001400113 568926181 /nfs/dbraw/zinc/92/61/81/568926181.db2.gz FIRXADVSUWFMER-UHFFFAOYSA-N 0 0 421.246 5.207 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000001400118 568926214 /nfs/dbraw/zinc/92/62/14/568926214.db2.gz TWUDLFSIKRBSLF-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN Brc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)cc1 ZINC000001400146 568926702 /nfs/dbraw/zinc/92/67/02/568926702.db2.gz OZBMTAWDGHTNTF-UHFFFAOYSA-N 0 0 416.282 5.451 50 0 HKAARN FC(F)(F)c1cccc(-c2nc3ncccc3n2OCc2ccccc2Cl)c1 ZINC000001400180 568926624 /nfs/dbraw/zinc/92/66/24/568926624.db2.gz PGOPMAHTKZCGJK-UHFFFAOYSA-N 0 0 403.791 5.399 50 0 HKAARN COc1ccc(-c2nc3ncccc3n2OCc2ccc(Cl)cc2Cl)cc1 ZINC000001400226 568926659 /nfs/dbraw/zinc/92/66/59/568926659.db2.gz KMYDWBFKYIUKDZ-UHFFFAOYSA-N 0 0 400.265 5.043 50 0 HKAARN Clc1ccc(COn2c3cccnc3nc2-c2ccccc2Cl)c(Cl)c1 ZINC000001400245 568926656 /nfs/dbraw/zinc/92/66/56/568926656.db2.gz URXPDOWCGFGTRP-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN Clc1ccccc1-c1nc2ncccc2n1OCc1c(Cl)cccc1Cl ZINC000001400246 568926684 /nfs/dbraw/zinc/92/66/84/568926684.db2.gz ZTJAGKYATNRVNM-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN Clc1ccc(COn2c3cccnc3nc2-c2ccccc2Cl)cc1Cl ZINC000001400247 568926693 /nfs/dbraw/zinc/92/66/93/568926693.db2.gz MLDNTNLJZORLDZ-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN Clc1ccccc1-c1nc2ncccc2n1OCc1ccc(Br)cc1 ZINC000001400248 568926658 /nfs/dbraw/zinc/92/66/58/568926658.db2.gz RYDKHTHWFCGYHP-UHFFFAOYSA-N 0 0 414.690 5.143 50 0 HKAARN Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001400390 568926868 /nfs/dbraw/zinc/92/68/68/568926868.db2.gz OWIXUZXAIJYSQV-UHFFFAOYSA-N 0 0 419.424 5.099 50 0 HKAARN O=C(Nc1ccc(F)cc1F)c1sccc1OCc1ccc(Cl)cc1Cl ZINC000001400560 568926829 /nfs/dbraw/zinc/92/68/29/568926829.db2.gz VVBWAYXQJNPCOQ-UHFFFAOYSA-N 0 0 414.260 6.164 50 0 HKAARN COc1ccc(COc2ccsc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001400562 568926825 /nfs/dbraw/zinc/92/68/25/568926825.db2.gz RIRATKYZPATJBO-UHFFFAOYSA-N 0 0 418.312 5.351 50 0 HKAARN COc1ccc(COc2ccsc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000001400567 568926863 /nfs/dbraw/zinc/92/68/63/568926863.db2.gz XKNVDTHKIGDHBO-UHFFFAOYSA-N 0 0 407.413 5.607 50 0 HKAARN COc1ccc(COc2ccsc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001400568 568926844 /nfs/dbraw/zinc/92/68/44/568926844.db2.gz QBMHGXYQCKIGQQ-UHFFFAOYSA-N 0 0 407.413 5.607 50 0 HKAARN COc1ccc(NC(=O)Cn2c(CSc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000001400648 568926827 /nfs/dbraw/zinc/92/68/27/568926827.db2.gz PHSLLWUFGHTARB-UHFFFAOYSA-N 0 0 417.534 5.284 50 0 HKAARN Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001400649 568926854 /nfs/dbraw/zinc/92/68/54/568926854.db2.gz VIYLMQDAPVRMRG-UHFFFAOYSA-N 0 0 421.953 5.929 50 0 aggregator HKAARN Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000001400650 568926843 /nfs/dbraw/zinc/92/68/43/568926843.db2.gz UXVDFSNUMMFECO-UHFFFAOYSA-N 0 0 415.562 5.893 50 0 HKAARN CN(C(=O)Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000001400652 568926834 /nfs/dbraw/zinc/92/68/34/568926834.db2.gz QQBUDJLGRGALAB-UHFFFAOYSA-N 0 0 421.953 5.645 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1Cl ZINC000001400784 568926862 /nfs/dbraw/zinc/92/68/62/568926862.db2.gz VJVHPTJVLHTPRV-UHFFFAOYSA-N 0 0 421.953 5.929 50 0 HKAARN O=C(Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1 ZINC000001400789 568926828 /nfs/dbraw/zinc/92/68/28/568926828.db2.gz NMTQTELHFPCERW-UHFFFAOYSA-N 0 0 407.926 5.621 50 0 HKAARN CN(C(=O)Cn1c(CSc2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000001400801 568926851 /nfs/dbraw/zinc/92/68/51/568926851.db2.gz WHTRMDVGOQSULJ-UHFFFAOYSA-N 0 0 421.953 5.645 50 0 HKAARN O=C(Cn1c(CSc2ccccc2Cl)nc2ccccc21)Nc1ccccc1 ZINC000001400802 568926860 /nfs/dbraw/zinc/92/68/60/568926860.db2.gz NGHLVTYTJSKICX-UHFFFAOYSA-N 0 0 407.926 5.621 50 0 HKAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000001400936 568927039 /nfs/dbraw/zinc/92/70/39/568927039.db2.gz ODLRCAJAQIZBOD-UHFFFAOYSA-N 0 0 410.882 5.031 50 0 HKAARN Cc1ccc(-c2nnc(-c3ccccc3S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000001400937 568927062 /nfs/dbraw/zinc/92/70/62/568927062.db2.gz FEPVLLXEAWPRGQ-UHFFFAOYSA-N 0 0 424.909 5.339 50 0 aggregator HKAARN Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000001400942 568927053 /nfs/dbraw/zinc/92/70/53/568927053.db2.gz IMBUHFIEMQTQCO-UHFFFAOYSA-N 0 0 424.909 5.339 50 0 aggregator HKAARN CCOC(=O)C1C(C)=Nc2c(cnn2-c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000001401036 568927009 /nfs/dbraw/zinc/92/70/09/568927009.db2.gz FWAVMSACZIUSCG-HXUWFJFHSA-N 0 0 411.864 5.059 50 0 HKAARN CCOC(=O)C1C(C)=Nc2c(cnn2-c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000001401037 568927042 /nfs/dbraw/zinc/92/70/42/568927042.db2.gz FWAVMSACZIUSCG-FQEVSTJZSA-N 0 0 411.864 5.059 50 0 HKAARN Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1F ZINC000001401137 568927047 /nfs/dbraw/zinc/92/70/47/568927047.db2.gz MSEDHPXJXOCTIP-UHFFFAOYSA-N 0 0 411.330 5.070 50 0 HKAARN Cc1nn(C)c(Sc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1 ZINC000001401152 568926990 /nfs/dbraw/zinc/92/69/90/568926990.db2.gz FZVHRPLIWGEPSB-UHFFFAOYSA-N 0 0 409.408 5.290 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001401190 568927052 /nfs/dbraw/zinc/92/70/52/568927052.db2.gz AMGMZXIOKIAYLQ-UHFFFAOYSA-N 0 0 416.346 6.100 50 0 HKAARN FC(F)(F)c1cnc2c(c1)n(-c1ccc(Cl)cc1Cl)nc2-c1cccnc1 ZINC000001401427 568927208 /nfs/dbraw/zinc/92/72/08/568927208.db2.gz GHUCVZJYEMOKKO-UHFFFAOYSA-N 0 0 409.198 5.808 50 0 HKAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC000001401491 568927191 /nfs/dbraw/zinc/92/71/91/568927191.db2.gz CJUOZBFMMMHHHT-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000001401593 568927169 /nfs/dbraw/zinc/92/71/69/568927169.db2.gz ZAAVMYHIIXFUKX-UHFFFAOYSA-N 0 0 407.783 5.536 50 0 HKAARN FC(F)(F)c1cnc2c(c1)n(-c1ccc(Cl)nn1)nc2-c1ccc(Cl)cc1 ZINC000001401610 568927234 /nfs/dbraw/zinc/92/72/34/568927234.db2.gz KGECEXBSDAFDNR-UHFFFAOYSA-N 0 0 410.186 5.203 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401658 568927219 /nfs/dbraw/zinc/92/72/19/568927219.db2.gz FMYBYLKBQMGEFJ-UHFFFAOYSA-N 0 0 419.406 6.082 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401660 568927171 /nfs/dbraw/zinc/92/71/71/568927171.db2.gz FNNLXVWMXDUIJO-UHFFFAOYSA-N 0 0 420.299 6.370 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401661 568927392 /nfs/dbraw/zinc/92/73/92/568927392.db2.gz FYIFJDMANNXPBX-UHFFFAOYSA-N 0 0 419.406 6.082 50 0 HKAARN CN(C(=O)CC(=O)N(C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000001401702 568927393 /nfs/dbraw/zinc/92/73/93/568927393.db2.gz KJRAOCMDWCOELA-UHFFFAOYSA-N 0 0 420.123 5.316 50 0 HKAARN Cc1cccc(CSc2nnc(-c3cc4c(C(F)(F)F)nn(C)c4s3)o2)c1 ZINC000001401893 568927366 /nfs/dbraw/zinc/92/73/66/568927366.db2.gz ZTRSQKLNRJCUQG-UHFFFAOYSA-N 0 0 410.446 5.304 50 0 HKAARN Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4ccc(F)cc4)o3)sc21 ZINC000001401897 568927409 /nfs/dbraw/zinc/92/74/09/568927409.db2.gz IJNQACUDHRLRKZ-UHFFFAOYSA-N 0 0 414.409 5.135 50 0 HKAARN O=c1c2cc(Cl)cc(Cl)c2nc(C(F)(F)F)n1OCc1ccc(Cl)cc1 ZINC000001401926 568927401 /nfs/dbraw/zinc/92/74/01/568927401.db2.gz XNNOXWOFQYRMLG-UHFFFAOYSA-N 0 0 423.605 5.004 50 0 HKAARN CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1Cl)SCc1ccc(F)cc1 ZINC000001401974 568927397 /nfs/dbraw/zinc/92/73/97/568927397.db2.gz KHMVXDIFKBJOLX-UHFFFAOYSA-N 0 0 422.374 5.123 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2)cc1 ZINC000001402096 568927391 /nfs/dbraw/zinc/92/73/91/568927391.db2.gz YWNRGZSKJXAIDS-UHFFFAOYSA-N 0 0 402.475 5.077 50 0 HKAARN Clc1ccsc1-c1ccc2cc(Br)cc(Br)c2n1 ZINC000001402283 568927548 /nfs/dbraw/zinc/92/75/48/568927548.db2.gz OVTRPIDISNYOQH-UHFFFAOYSA-N 0 0 403.526 6.142 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000001402417 568927546 /nfs/dbraw/zinc/92/75/46/568927546.db2.gz IZYOERQRUCTLLZ-UHFFFAOYSA-N 0 0 409.272 5.550 50 0 HKAARN CN(C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000001402424 568927527 /nfs/dbraw/zinc/92/75/27/568927527.db2.gz NLLCISMCHOOPFD-UHFFFAOYSA-N 0 0 423.299 5.574 50 0 HKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1F ZINC000001402556 568927575 /nfs/dbraw/zinc/92/75/75/568927575.db2.gz ZXEMWKHKEVKZAV-UHFFFAOYSA-N 0 0 424.428 5.047 50 0 HKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1 ZINC000001402559 568927533 /nfs/dbraw/zinc/92/75/33/568927533.db2.gz XOQGVZYJMAZPCL-UHFFFAOYSA-N 0 0 422.506 5.267 50 0 HKAARN O=C(Oc1ccc2sc(=O)oc2c1)c1cccnc1SCCC(F)=C(F)F ZINC000001402579 568927555 /nfs/dbraw/zinc/92/75/55/568927555.db2.gz JHZQDFSIKMAXKZ-UHFFFAOYSA-N 0 0 413.398 5.029 50 0 HKAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1Cl ZINC000001402826 568927479 /nfs/dbraw/zinc/92/74/79/568927479.db2.gz XKSKLPKUIWAXQV-UHFFFAOYSA-N 0 0 406.894 5.297 50 0 HKAARN Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000001402977 568927564 /nfs/dbraw/zinc/92/75/64/568927564.db2.gz NWZOPECHMZXNMD-UHFFFAOYSA-N 0 0 413.713 5.245 50 0 HKAARN O=C(Nc1nc(-c2sccc2Br)cs1)Nc1ccc(Cl)cc1 ZINC000001403081 568927536 /nfs/dbraw/zinc/92/75/36/568927536.db2.gz DLABTXPDYBHNCW-UHFFFAOYSA-N 0 0 414.737 5.932 50 0 HKAARN Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000001403239 568927629 /nfs/dbraw/zinc/92/76/29/568927629.db2.gz VBYZTODZEZMNCW-UHFFFAOYSA-N 0 0 423.275 5.061 50 0 HKAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000001403469 568927399 /nfs/dbraw/zinc/92/73/99/568927399.db2.gz REWVSEUYDFQNLU-UHFFFAOYSA-N 0 0 421.440 5.651 50 0 HKAARN COc1ccc(CSc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001403472 568927365 /nfs/dbraw/zinc/92/73/65/568927365.db2.gz KUTVTVLBBIZDJI-UHFFFAOYSA-N 0 0 413.564 5.141 50 0 HKAARN Cc1cc(-c2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)c1S(C)(=O)=O ZINC000001403488 568927402 /nfs/dbraw/zinc/92/74/02/568927402.db2.gz GCZRPVMKVOGBIT-UHFFFAOYSA-N 0 0 407.413 5.272 50 0 HKAARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CC(=O)c1ccc(Cl)cc1 ZINC000001403530 568927389 /nfs/dbraw/zinc/92/73/89/568927389.db2.gz ZSLCYJOAPZDSJX-UHFFFAOYSA-N 0 0 420.723 5.591 50 0 HKAARN COc1ccc(C(=O)NCC(C)(C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001403539 568927394 /nfs/dbraw/zinc/92/73/94/568927394.db2.gz MDEHJBJAOWDFFH-UHFFFAOYSA-N 0 0 418.868 5.063 50 0 HKAARN Cc1ccc2c(c1)-c1nc(SCc3cccc(C(F)(F)F)c3)ncc1CS2 ZINC000001403610 568927500 /nfs/dbraw/zinc/92/75/00/568927500.db2.gz WKNZCNJPOHEMHH-UHFFFAOYSA-N 0 0 404.482 6.369 50 0 HKAARN CCSc1nc2c(cnn2-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000001403681 568927525 /nfs/dbraw/zinc/92/75/25/568927525.db2.gz MGXIHAZIVXAMEH-UHFFFAOYSA-N 0 0 416.428 5.739 50 0 HKAARN CSc1nc2c(cnn2-c2ccccc2)c(Sc2cccc(C(F)(F)F)c2)n1 ZINC000001403689 568927583 /nfs/dbraw/zinc/92/75/83/568927583.db2.gz QSEUDMUTYQWLDV-UHFFFAOYSA-N 0 0 418.469 5.707 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCCC(F)=C(F)F ZINC000001403696 568927573 /nfs/dbraw/zinc/92/75/73/568927573.db2.gz AIIFRNFVRIUJCC-UHFFFAOYSA-N 0 0 422.350 5.792 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001403823 568927468 /nfs/dbraw/zinc/92/74/68/568927468.db2.gz BIBLNZCVSLZZJR-UHFFFAOYSA-N 0 0 402.972 5.448 50 0 HKAARN COc1ccccc1NC(=S)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001404486 568927634 /nfs/dbraw/zinc/92/76/34/568927634.db2.gz SZVVNAMIEFMNIP-VGOFRKELSA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccccc1NC(=S)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001404489 568927706 /nfs/dbraw/zinc/92/77/06/568927706.db2.gz SZVVNAMIEFMNIP-VGSWGCGISA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccccc1NC(=S)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001404492 568927665 /nfs/dbraw/zinc/92/76/65/568927665.db2.gz SZVVNAMIEFMNIP-HTAPYJJXSA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccccc1NC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001404494 568927655 /nfs/dbraw/zinc/92/76/55/568927655.db2.gz SZVVNAMIEFMNIP-JTSKRJEESA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccc(NC(=S)NCC[C@@H]2[C@H](c3c(C)[nH]c4ccccc43)C2(C)C)cc1 ZINC000001404506 568927617 /nfs/dbraw/zinc/92/76/17/568927617.db2.gz ZZDCOZXHCBYOND-DENIHFKCSA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccc(NC(=S)NCC[C@@H]2[C@@H](c3c(C)[nH]c4ccccc43)C2(C)C)cc1 ZINC000001404508 568927628 /nfs/dbraw/zinc/92/76/28/568927628.db2.gz ZZDCOZXHCBYOND-KNQAVFIVSA-N 0 0 407.583 5.601 50 0 HKAARN COc1ccc(NC(=S)NCC[C@H]2[C@H](c3c(C)[nH]c4ccccc43)C2(C)C)cc1 ZINC000001404510 568927645 /nfs/dbraw/zinc/92/76/45/568927645.db2.gz ZZDCOZXHCBYOND-SIKLNZKXSA-N 0 0 407.583 5.601 50 0 HKAARN Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NC(=O)c4ccccc4Cl)c23)cc1 ZINC000001404637 568927685 /nfs/dbraw/zinc/92/76/85/568927685.db2.gz KJEKAEJZMAQUBE-UHFFFAOYSA-N 0 0 419.916 5.462 50 0 HKAARN CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000001404987 568927652 /nfs/dbraw/zinc/92/76/52/568927652.db2.gz LGFDTXFZKICYCQ-UHFFFAOYSA-N 0 0 403.429 5.015 50 0 HKAARN O=C(NC1CC1)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000001404989 568927697 /nfs/dbraw/zinc/92/76/97/568927697.db2.gz GMKFBAPEBYTVNN-UHFFFAOYSA-N 0 0 415.440 5.206 50 0 HKAARN O=CNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001404993 568927679 /nfs/dbraw/zinc/92/76/79/568927679.db2.gz GFUOWRYZMLHKRL-UHFFFAOYSA-N 0 0 415.305 5.538 50 0 HKAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(C)cc2)cs1 ZINC000001405026 568927725 /nfs/dbraw/zinc/92/77/25/568927725.db2.gz PBKPXFRYBPZASZ-UHFFFAOYSA-N 0 0 408.914 5.583 50 0 HKAARN Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405036 568927694 /nfs/dbraw/zinc/92/76/94/568927694.db2.gz GCSGPRDMBQZKQR-UHFFFAOYSA-N 0 0 415.291 5.147 50 0 HKAARN CSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1C ZINC000001405134 568927710 /nfs/dbraw/zinc/92/77/10/568927710.db2.gz PNZMGINWUMHSQT-UHFFFAOYSA-N 0 0 412.487 5.561 50 0 HKAARN COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC(C)=O)n2)cc1 ZINC000001405136 568927687 /nfs/dbraw/zinc/92/76/87/568927687.db2.gz BQHSMTXQWKHPQB-UHFFFAOYSA-N 0 0 424.913 5.283 50 0 HKAARN Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1c(F)cccc1Cl ZINC000001405181 568927794 /nfs/dbraw/zinc/92/77/94/568927794.db2.gz OHTBVAUXTSBIQQ-UHFFFAOYSA-N 0 0 410.247 5.369 50 0 HKAARN CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3ccc(OC)cc3)c(O)cc21 ZINC000001405256 568927871 /nfs/dbraw/zinc/92/78/71/568927871.db2.gz UFUQJNUEMCMLMT-UHFFFAOYSA-N 0 0 405.450 5.149 50 0 HKAARN CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3ccc(Cl)cc3)c(O)cc21 ZINC000001405271 568927890 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Cc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)c(F)c4)c3C2=O)c1 ZINC000001405632 568927925 /nfs/dbraw/zinc/92/79/25/568927925.db2.gz XZWGQSYSZHKHRK-UHFFFAOYSA-N 0 0 410.445 5.070 50 0 HKAARN Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)c(C)c1 ZINC000001405638 568927793 /nfs/dbraw/zinc/92/77/93/568927793.db2.gz KQVJQLLJAZSERL-UHFFFAOYSA-N 0 0 406.482 5.239 50 0 HKAARN Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)c(C)c1 ZINC000001405788 568928050 /nfs/dbraw/zinc/92/80/50/568928050.db2.gz AWDONBKSTNWJCE-UHFFFAOYSA-N 0 0 406.482 5.239 50 0 HKAARN Cc1cc2c(c(SCc3ccc(F)cc3F)n1)C(=O)N(c1ccccc1C)C2=O ZINC000001405808 568928107 /nfs/dbraw/zinc/92/81/07/568928107.db2.gz UWDDNIMTFORMNY-UHFFFAOYSA-N 0 0 410.445 5.070 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(Cl)c1 ZINC000001405837 557258749 /nfs/dbraw/zinc/25/87/49/557258749.db2.gz ACOXAWSPFHKXTA-UHFFFAOYSA-N 0 0 421.884 5.486 50 0 HKAARN O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1cccs1 ZINC000001406396 568928176 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Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1-c1nc2ncccc2o1 ZINC000001408531 557259107 /nfs/dbraw/zinc/25/91/07/557259107.db2.gz DVZJAZRQGQKFKL-UHFFFAOYSA-N 0 0 419.484 5.969 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000001408532 557259083 /nfs/dbraw/zinc/25/90/83/557259083.db2.gz ULWLTIRNZBOGJA-UHFFFAOYSA-N 0 0 401.466 5.339 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000001408542 557258983 /nfs/dbraw/zinc/25/89/83/557258983.db2.gz FMWXVZHFRORXRX-UHFFFAOYSA-N 0 0 416.506 5.140 50 0 HKAARN COc1c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)ccc2ccccc21 ZINC000001409340 568929012 /nfs/dbraw/zinc/92/90/12/568929012.db2.gz JBDNZZCEQTZYTL-UHFFFAOYSA-N 0 0 407.473 5.952 50 0 HKAARN FC(F)(F)c1cc(-c2ccc3ccccc3c2)nn1C(=S)N1CCCCCC1 ZINC000001409536 527679975 /nfs/dbraw/zinc/67/99/75/527679975.db2.gz ZEMDIYLAQMCDEW-UHFFFAOYSA-N 0 0 403.473 5.731 50 0 HKAARN Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000001409678 568929009 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Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 ZINC000001413638 568933559 /nfs/dbraw/zinc/93/35/59/568933559.db2.gz TUGCVYQTUCRHNB-UHFFFAOYSA-N 0 0 401.413 5.696 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3cccc(O)c3)cs2)n1 ZINC000001413640 568933567 /nfs/dbraw/zinc/93/35/67/568933567.db2.gz JYNYXIMUIJDWRJ-UHFFFAOYSA-N 0 0 417.412 5.396 50 0 HKAARN Oc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3C(F)(F)F)n2)cc1 ZINC000001413642 568933511 /nfs/dbraw/zinc/93/35/11/568933511.db2.gz BCNNWVMZZRWQOJ-UHFFFAOYSA-N 0 0 421.831 6.041 50 0 HKAARN COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3C(F)(F)F)n2)cc1 ZINC000001413648 568933570 /nfs/dbraw/zinc/93/35/70/568933570.db2.gz CVWHPYDUBJUMNX-UHFFFAOYSA-N 0 0 415.440 5.999 50 0 HKAARN COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000001413785 557259571 /nfs/dbraw/zinc/25/95/71/557259571.db2.gz XDMHYOMSWLBUNT-UHFFFAOYSA-N 0 0 424.909 5.790 50 0 HKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(F)c1 ZINC000001413790 557259549 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COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001413852 557259546 /nfs/dbraw/zinc/25/95/46/557259546.db2.gz GTEISRGLMLQOCJ-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001413856 557259587 /nfs/dbraw/zinc/25/95/87/557259587.db2.gz ICCAZXZMLOZORJ-QHHAFSJGSA-N 0 0 410.260 5.849 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)oc2c1 ZINC000001413857 557259578 /nfs/dbraw/zinc/25/95/78/557259578.db2.gz RLTDCXVRTZHMQF-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 ZINC000001413870 557259598 /nfs/dbraw/zinc/25/95/98/557259598.db2.gz VZCUZMOKRCCKDL-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1Cl ZINC000001413871 557259528 /nfs/dbraw/zinc/25/95/28/557259528.db2.gz WKQJXKLMQWPHII-UHFFFAOYSA-N 0 0 408.841 5.174 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000001413883 557259559 /nfs/dbraw/zinc/25/95/59/557259559.db2.gz 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/nfs/dbraw/zinc/24/61/81/132246181.db2.gz BEOXTYSIHIQPFM-UHFFFAOYSA-N 0 0 405.523 5.124 50 0 HKAARN COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000001441061 568969315 /nfs/dbraw/zinc/96/93/15/568969315.db2.gz SZIQBZPPVUHOFY-UHFFFAOYSA-N 0 0 411.457 5.829 50 0 HKAARN COc1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1Cl ZINC000001441301 557264164 /nfs/dbraw/zinc/26/41/64/557264164.db2.gz ZWLHMOJGQUUJKJ-INIZCTEOSA-N 0 0 418.893 5.210 50 0 HKAARN COc1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1Cl ZINC000001441302 557264220 /nfs/dbraw/zinc/26/42/20/557264220.db2.gz ZWLHMOJGQUUJKJ-MRXNPFEDSA-N 0 0 418.893 5.210 50 0 HKAARN Fc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1 ZINC000001441320 557264558 /nfs/dbraw/zinc/26/45/58/557264558.db2.gz CKAQPKHHHBPMPH-ZDUSSCGKSA-N 0 0 403.367 5.094 50 0 HKAARN Fc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1 ZINC000001441321 557264570 /nfs/dbraw/zinc/26/45/70/557264570.db2.gz CKAQPKHHHBPMPH-CYBMUJFWSA-N 0 0 403.367 5.094 50 0 HKAARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)OCCO3)cc1 ZINC000001441482 557264562 /nfs/dbraw/zinc/26/45/62/557264562.db2.gz VORGWAQMVBKWCB-UHFFFAOYSA-N 0 0 422.868 5.295 50 0 HKAARN CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c1 ZINC000001441549 557264536 /nfs/dbraw/zinc/26/45/36/557264536.db2.gz BRDLJTJRXAKSCC-AWEZNQCLSA-N 0 0 402.947 5.329 50 0 HKAARN CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)c1 ZINC000001441550 557264620 /nfs/dbraw/zinc/26/46/20/557264620.db2.gz BRDLJTJRXAKSCC-CQSZACIVSA-N 0 0 402.947 5.329 50 0 HKAARN O=C(Nc1cccc2ccccc21)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 ZINC000001441552 557264515 /nfs/dbraw/zinc/26/45/15/557264515.db2.gz LLBUUVIEBOBFED-UHFFFAOYSA-N 0 0 424.456 5.486 50 0 HKAARN COc1cc2c(cc1NC(=S)NC(=O)C=Cc1ccc(F)cc1)oc1ccccc12 ZINC000001442212 568977984 /nfs/dbraw/zinc/97/79/84/568977984.db2.gz XOIGOXQPPSSMSJ-DHZHZOJOSA-N 0 0 420.465 5.260 50 0 HKAARN O=C(OCc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1Br ZINC000001443283 557264862 /nfs/dbraw/zinc/26/48/62/557264862.db2.gz DDQJANCRHSFLCT-UHFFFAOYSA-N 0 0 419.278 5.416 50 0 HKAARN Cc1cc2nc(SCc3ccc(Cl)cc3)oc2c(-n2nc3ccccc3n2)c1 ZINC000001443424 557264850 /nfs/dbraw/zinc/26/48/50/557264850.db2.gz IQZWXNICCALEPO-UHFFFAOYSA-N 0 0 406.898 5.816 50 0 HKAARN CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1cccc(C)c1 ZINC000001444043 132246358 /nfs/dbraw/zinc/24/63/58/132246358.db2.gz WXVLVVPAQZJTAK-UHFFFAOYSA-N 0 0 419.521 5.110 50 0 HKAARN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001444253 557265434 /nfs/dbraw/zinc/26/54/34/557265434.db2.gz ZZVOYKBAXOPYPP-UHFFFAOYSA-N 0 0 419.502 5.100 50 0 HKAARN Cc1nc2c(sc(=S)n2-c2ccccc2)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000001444472 557265701 /nfs/dbraw/zinc/26/57/01/557265701.db2.gz ROIATJSJNGGJPH-QGZVFWFLSA-N 0 0 404.564 5.514 50 0 HKAARN Cc1nc2c(sc(=S)n2-c2ccccc2)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000001444474 557265776 /nfs/dbraw/zinc/26/57/76/557265776.db2.gz ROIATJSJNGGJPH-KRWDZBQOSA-N 0 0 404.564 5.514 50 0 HKAARN CCOC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn21 ZINC000001445141 568982199 /nfs/dbraw/zinc/98/21/99/568982199.db2.gz KTTKZLIIDLNJMN-UHFFFAOYSA-N 0 0 401.285 5.155 50 0 HKAARN O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000001445639 568983443 /nfs/dbraw/zinc/98/34/43/568983443.db2.gz OICNFHJTLWDWQI-UHFFFAOYSA-N 0 0 423.588 5.714 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000001445775 557265908 /nfs/dbraw/zinc/26/59/08/557265908.db2.gz GKYGKAUGERQNCT-UHFFFAOYSA-N 0 0 416.713 6.131 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000001445776 557265965 /nfs/dbraw/zinc/26/59/65/557265965.db2.gz GCQBAIFISKSWOJ-UHFFFAOYSA-N 0 0 400.670 5.843 50 0 HKAARN CCOc1nc(Sc2ccccn2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000001446028 557266316 /nfs/dbraw/zinc/26/63/16/557266316.db2.gz IDRFYBHHWURQAI-UHFFFAOYSA-N 0 0 401.495 5.286 50 0 HKAARN CCOC(=O)c1sc2nc(C)c(C)c(C)c2c1NC(=O)c1ccccc1Cl ZINC000001446080 557266327 /nfs/dbraw/zinc/26/63/27/557266327.db2.gz PNMXTLLUTSGZJA-UHFFFAOYSA-N 0 0 402.903 5.304 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2NC(=O)c1ccccc1 ZINC000001446081 557266341 /nfs/dbraw/zinc/26/63/41/557266341.db2.gz HGMOACPPIVCGIR-UHFFFAOYSA-N 0 0 419.481 5.557 50 0 HKAARN Cc1ccc(OCC(=O)n2c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000001446502 557266523 /nfs/dbraw/zinc/26/65/23/557266523.db2.gz PWWZZDNQKNTGSI-UHFFFAOYSA-N 0 0 406.482 5.495 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(F)cc2)cc1 ZINC000001446660 557266510 /nfs/dbraw/zinc/26/65/10/557266510.db2.gz XXEKAHQVKRBTQR-CXUHLZMHSA-N 0 0 413.452 5.339 50 0 HKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000001446662 557266546 /nfs/dbraw/zinc/26/65/46/557266546.db2.gz KPYALQJRBIAZKQ-OVCLIPMQSA-N 0 0 401.416 5.469 50 0 HKAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001446701 557266532 /nfs/dbraw/zinc/26/65/32/557266532.db2.gz AYTILEHTPROPNM-KGENOOAVSA-N 0 0 408.860 5.197 50 0 HKAARN Brc1ccc(Cn2c3ccccc3nc2-c2ccc(Br)o2)o1 ZINC000001447045 557266543 /nfs/dbraw/zinc/26/65/43/557266543.db2.gz XIYLXOICWPVXGN-UHFFFAOYSA-N 0 0 422.076 5.463 50 0 HKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000001447525 557266574 /nfs/dbraw/zinc/26/65/74/557266574.db2.gz WPBGQZAMJWOAHU-UHFFFAOYSA-N 0 0 412.512 6.529 50 0 HKAARN c1c(-c2ccccc2)c2c(ncnc2NCc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000001447531 557266581 /nfs/dbraw/zinc/26/65/81/557266581.db2.gz CZTWHSCZHBOBLZ-UHFFFAOYSA-N 0 0 420.472 5.428 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1OC ZINC000001447536 557266588 /nfs/dbraw/zinc/26/65/88/557266588.db2.gz BEYASRVRWSLVIM-UHFFFAOYSA-N 0 0 422.488 5.848 50 0 HKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)cc1Cl ZINC000001447559 557266646 /nfs/dbraw/zinc/26/66/46/557266646.db2.gz WPUCXKPMLXSVMB-LJQANCHMSA-N 0 0 418.928 5.640 50 0 HKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1Cl ZINC000001447560 557266609 /nfs/dbraw/zinc/26/66/09/557266609.db2.gz WPUCXKPMLXSVMB-IBGZPJMESA-N 0 0 418.928 5.640 50 0 HKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)cc1Cl ZINC000001447561 557266976 /nfs/dbraw/zinc/26/69/76/557266976.db2.gz UGQREVOBOOZWCJ-UHFFFAOYSA-N 0 0 414.896 6.254 50 0 HKAARN COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)OC ZINC000001447563 557267008 /nfs/dbraw/zinc/26/70/08/557267008.db2.gz AIPZSYFGROOQQX-UHFFFAOYSA-N 0 0 422.916 5.080 50 0 HKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC2=CCCCC2)c1 ZINC000001447568 557267030 /nfs/dbraw/zinc/26/70/30/557267030.db2.gz GZHXFYYUIMXQRR-UHFFFAOYSA-N 0 0 408.549 6.698 50 0 HKAARN COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000001447569 557266967 /nfs/dbraw/zinc/26/69/67/557266967.db2.gz DKEORSZIBNIVQV-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000001447588 568985443 /nfs/dbraw/zinc/98/54/43/568985443.db2.gz XIOODZBUDRWMFA-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)cc1 ZINC000001447590 557266845 /nfs/dbraw/zinc/26/68/45/557266845.db2.gz SFMKCGGVWSZIFA-UHFFFAOYSA-N 0 0 411.896 5.748 50 0 HKAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000001447593 132246282 /nfs/dbraw/zinc/24/62/82/132246282.db2.gz APJYHERCIDOZRE-IAGOWNOFSA-N 0 0 418.928 5.355 50 0 HKAARN C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000001447594 132246287 /nfs/dbraw/zinc/24/62/87/132246287.db2.gz APJYHERCIDOZRE-IRXDYDNUSA-N 0 0 418.928 5.355 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)cc1 ZINC000001447596 557266827 /nfs/dbraw/zinc/26/68/27/557266827.db2.gz FCCCBFZSEVGVMH-LJQANCHMSA-N 0 0 404.901 5.332 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000001447597 557266880 /nfs/dbraw/zinc/26/68/80/557266880.db2.gz FCCCBFZSEVGVMH-IBGZPJMESA-N 0 0 404.901 5.332 50 0 HKAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)c1 ZINC000001447617 557267001 /nfs/dbraw/zinc/26/70/01/557267001.db2.gz WXKONZQFLGIMTK-UHFFFAOYSA-N 0 0 400.869 5.946 50 0 HKAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000001447619 132246324 /nfs/dbraw/zinc/24/63/24/132246324.db2.gz RNEFFOIJRPZVFW-IAGOWNOFSA-N 0 0 418.928 5.355 50 0 HKAARN C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000001447620 132246335 /nfs/dbraw/zinc/24/63/35/132246335.db2.gz RNEFFOIJRPZVFW-IRXDYDNUSA-N 0 0 418.928 5.355 50 0 HKAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)c1 ZINC000001447623 557266888 /nfs/dbraw/zinc/26/68/88/557266888.db2.gz FNONCBXQNHTCBR-UHFFFAOYSA-N 0 0 411.896 5.748 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)cc1 ZINC000001447632 557266873 /nfs/dbraw/zinc/26/68/73/557266873.db2.gz NQJUFLHJGWNGDK-UHFFFAOYSA-N 0 0 407.477 5.103 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccccc2)cc1 ZINC000001447637 557267036 /nfs/dbraw/zinc/26/70/36/557267036.db2.gz HJNRMKMYHZCPIE-UHFFFAOYSA-N 0 0 420.516 5.751 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccnc2)cc1 ZINC000001447650 557266852 /nfs/dbraw/zinc/26/68/52/557266852.db2.gz OYKWXJXCHMDXPW-UHFFFAOYSA-N 0 0 407.477 5.103 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2)cc1 ZINC000001447653 568985515 /nfs/dbraw/zinc/98/55/15/568985515.db2.gz UQQHFGYIEMXSCM-UHFFFAOYSA-N 0 0 406.489 5.708 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccc(F)cc2)cc1 ZINC000001447655 557267014 /nfs/dbraw/zinc/26/70/14/557267014.db2.gz UGPUEDWXURAFJK-UHFFFAOYSA-N 0 0 424.479 5.847 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cccc(OC)c2)cc1 ZINC000001447658 557266942 /nfs/dbraw/zinc/26/69/42/557266942.db2.gz GOSBFWNIFZDWRC-UHFFFAOYSA-N 0 0 422.488 5.848 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000001447659 557266895 /nfs/dbraw/zinc/26/68/95/557266895.db2.gz DBJCJVLWLUNOJB-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000001447703 568985647 /nfs/dbraw/zinc/98/56/47/568985647.db2.gz WXNLZRCLKIZONU-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN COc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)c1 ZINC000001447704 568985662 /nfs/dbraw/zinc/98/56/62/568985662.db2.gz NVWDXCBJDFFWBM-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)cc1 ZINC000001447706 557266991 /nfs/dbraw/zinc/26/69/91/557266991.db2.gz MHOHLOXKSDJONU-UHFFFAOYSA-N 0 0 400.869 5.946 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccs2)cc1 ZINC000001447707 568985758 /nfs/dbraw/zinc/98/57/58/568985758.db2.gz LLGMPMTWHLCZRR-UHFFFAOYSA-N 0 0 416.937 6.415 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccccc2OC)cc1 ZINC000001447728 568985637 /nfs/dbraw/zinc/98/56/37/568985637.db2.gz RFXMXBGCYKSVLQ-UHFFFAOYSA-N 0 0 422.488 5.848 50 0 HKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccn2)cc1 ZINC000001447735 568985613 /nfs/dbraw/zinc/98/56/13/568985613.db2.gz XKALPUIFAIDVSF-UHFFFAOYSA-N 0 0 421.504 5.493 50 0 HKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)cc1 ZINC000001447740 568985712 /nfs/dbraw/zinc/98/57/12/568985712.db2.gz ALSOTDFNRXSEJA-OAQYLSRUSA-N 0 0 414.509 5.077 50 0 HKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000001447741 568985680 /nfs/dbraw/zinc/98/56/80/568985680.db2.gz ALSOTDFNRXSEJA-NRFANRHFSA-N 0 0 414.509 5.077 50 0 HKAARN COc1ccc(-c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1OC ZINC000001447788 568985734 /nfs/dbraw/zinc/98/57/34/568985734.db2.gz OPKBXYNHTYCWBW-UHFFFAOYSA-N 0 0 408.885 5.453 50 0 HKAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc21 ZINC000001447873 568985653 /nfs/dbraw/zinc/98/56/53/568985653.db2.gz JRLPHYKGJDIEQT-UHFFFAOYSA-N 0 0 415.445 6.255 50 0 HKAARN Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001447906 568985188 /nfs/dbraw/zinc/98/51/88/568985188.db2.gz BGHSNZUWQXKWTP-UHFFFAOYSA-N 0 0 413.454 5.597 50 0 HKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000001447913 568985139 /nfs/dbraw/zinc/98/51/39/568985139.db2.gz NYRHCSOWGFASHU-UHFFFAOYSA-N 0 0 416.429 5.259 50 0 biogenic HKAARN Cc1oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000001447918 568985151 /nfs/dbraw/zinc/98/51/51/568985151.db2.gz YOTLRFVRWWJGAA-UHFFFAOYSA-N 0 0 422.839 5.823 50 0 HKAARN Cc1oc2cc(OCC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000001447919 568985165 /nfs/dbraw/zinc/98/51/65/568985165.db2.gz XBKHVIPXWKRHBY-UHFFFAOYSA-N 0 0 404.849 5.684 50 0 HKAARN O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc(F)cc1 ZINC000001447931 568985146 /nfs/dbraw/zinc/98/51/46/568985146.db2.gz OVUKCCMWHHRHJW-UHFFFAOYSA-N 0 0 408.812 5.514 50 0 HKAARN O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1cccs1 ZINC000001447936 568985193 /nfs/dbraw/zinc/98/51/93/568985193.db2.gz SJIYDYBOMXYFGU-UHFFFAOYSA-N 0 0 405.456 5.350 50 0 HKAARN O=c1c2ccc(OCc3cc(Cl)cc4c3OCOC4)cc2occ1-c1ccccc1 ZINC000001447947 568985192 /nfs/dbraw/zinc/98/51/92/568985192.db2.gz QQSHADPIQOZCHN-UHFFFAOYSA-N 0 0 420.848 5.559 50 0 biogenic HKAARN CCOC(=O)c1c(C)oc2ccc(OCc3cc(=O)oc4cc(C)cc(C)c34)cc21 ZINC000001447954 568985153 /nfs/dbraw/zinc/98/51/53/568985153.db2.gz GHJLKESBPBTIHP-UHFFFAOYSA-N 0 0 406.434 5.220 50 0 biogenic HKAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)c1 ZINC000001447985 568985181 /nfs/dbraw/zinc/98/51/81/568985181.db2.gz YTDSJPQKYOBHBF-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000001447988 568985169 /nfs/dbraw/zinc/98/51/69/568985169.db2.gz KTRGHGIVXZUIMY-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)C1CC1 ZINC000001447990 568985125 /nfs/dbraw/zinc/98/51/25/568985125.db2.gz JGFMNCUZUMMBHG-UHFFFAOYSA-N 0 0 408.759 5.448 50 0 HKAARN COc1ccccc1-c1c(=O)c2ccc(OCC=C(C)C)cc2oc1C(F)(F)F ZINC000001447991 557267021 /nfs/dbraw/zinc/26/70/21/557267021.db2.gz DXTUPLFOVYIRNA-UHFFFAOYSA-N 0 0 404.384 5.832 50 0 biogenic HKAARN CCOC(=O)c1c2cc(OC(=O)C3CCCCC3)ccc2oc1-c1ccc(OC)cc1 ZINC000001448004 568985337 /nfs/dbraw/zinc/98/53/37/568985337.db2.gz AZMHHYAAWYUBEL-UHFFFAOYSA-N 0 0 422.477 5.771 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3F)cc21 ZINC000001448007 568985308 /nfs/dbraw/zinc/98/53/08/568985308.db2.gz FLKBUIIRIIQLHM-UHFFFAOYSA-N 0 0 421.218 5.039 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000001448035 568985312 /nfs/dbraw/zinc/98/53/12/568985312.db2.gz QBYWHWHCXAOHNV-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN COc1cccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)c1 ZINC000001448042 568985306 /nfs/dbraw/zinc/98/53/06/568985306.db2.gz RLUFWSNDJYPXFG-UHFFFAOYSA-N 0 0 422.820 5.467 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 ZINC000001448050 568985376 /nfs/dbraw/zinc/98/53/76/568985376.db2.gz HMOXKNASHCLLCB-OVCLIPMQSA-N 0 0 412.441 5.396 50 0 biogenic HKAARN COc1cccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)c1 ZINC000001448056 568985367 /nfs/dbraw/zinc/98/53/67/568985367.db2.gz NKQXOGISFNMMME-JLHYYAGUSA-N 0 0 414.413 5.213 50 0 biogenic HKAARN COc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 ZINC000001448058 568985332 /nfs/dbraw/zinc/98/53/32/568985332.db2.gz LRHJPTNXIFJAJC-VGOFMYFVSA-N 0 0 414.413 5.213 50 0 biogenic HKAARN COc1ccc(-c2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1OC ZINC000001448064 568985384 /nfs/dbraw/zinc/98/53/84/568985384.db2.gz RBNIXMYSRAKKBM-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN COc1ccc(-c2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1OC ZINC000001448065 557266914 /nfs/dbraw/zinc/26/69/14/557266914.db2.gz IDGPQQUSBQLMPQ-UHFFFAOYSA-N 0 0 422.864 5.710 50 0 HKAARN COc1ccc(-c2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1OC ZINC000001448066 557266860 /nfs/dbraw/zinc/26/68/60/557266860.db2.gz KURCSIGAAJCCLY-UHFFFAOYSA-N 0 0 406.409 5.195 50 0 HKAARN COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC ZINC000001448067 568985366 /nfs/dbraw/zinc/98/53/66/568985366.db2.gz VOIDXPSMRDVFEZ-UHFFFAOYSA-N 0 0 422.864 5.710 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c1=O ZINC000001448068 568985314 /nfs/dbraw/zinc/98/53/14/568985314.db2.gz HMTZCQNODGJSSZ-NTCAYCPXSA-N 0 0 412.441 5.396 50 0 HKAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000001448083 568985325 /nfs/dbraw/zinc/98/53/25/568985325.db2.gz YQFDSHXAISEKBI-UHFFFAOYSA-N 0 0 405.372 5.319 50 0 HKAARN COc1ccccc1Oc1coc2cc(OCc3ccccc3Cl)ccc2c1=O ZINC000001448087 568985350 /nfs/dbraw/zinc/98/53/50/568985350.db2.gz OISVZWABHPGJHB-UHFFFAOYSA-N 0 0 408.837 5.826 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OC(=O)c3cccs3)ccc2c1=O ZINC000001448095 568985377 /nfs/dbraw/zinc/98/53/77/568985377.db2.gz QZTZWMFWLLPUMG-UHFFFAOYSA-N 0 0 408.431 5.265 50 0 HKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 ZINC000001448101 557266985 /nfs/dbraw/zinc/26/69/85/557266985.db2.gz XMEIPGGJUBGYAW-UHFFFAOYSA-N 0 0 416.429 5.341 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3)ccc2c1=O ZINC000001448104 568985364 /nfs/dbraw/zinc/98/53/64/568985364.db2.gz PKOBDALGJGTTNS-UHFFFAOYSA-N 0 0 402.402 5.203 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O ZINC000001448105 568985302 /nfs/dbraw/zinc/98/53/02/568985302.db2.gz LCQQREIWIALRDQ-UHFFFAOYSA-N 0 0 420.392 5.342 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OCc3ccc(C)cc3)ccc2c1=O ZINC000001448107 568985348 /nfs/dbraw/zinc/98/53/48/568985348.db2.gz RJZLCNDQEASEJA-UHFFFAOYSA-N 0 0 402.446 5.871 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3)ccc2c1=O ZINC000001448110 568985316 /nfs/dbraw/zinc/98/53/16/568985316.db2.gz ZBVOHACOAXALEO-UHFFFAOYSA-N 0 0 406.409 5.702 50 0 HKAARN COc1ccccc1Oc1coc2cc(OCc3cccc(Cl)c3)ccc2c1=O ZINC000001448111 568985379 /nfs/dbraw/zinc/98/53/79/568985379.db2.gz CGPWQXBLVFTTMU-UHFFFAOYSA-N 0 0 408.837 5.826 50 0 HKAARN COc1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448161 568985381 /nfs/dbraw/zinc/98/53/81/568985381.db2.gz DMWQNOYJCOLMQF-UHFFFAOYSA-N 0 0 420.392 5.261 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001448175 568985343 /nfs/dbraw/zinc/98/53/43/568985343.db2.gz KPYAIOXTEBPVMB-UHFFFAOYSA-N 0 0 420.392 5.342 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001448176 568985353 /nfs/dbraw/zinc/98/53/53/568985353.db2.gz SPYBJSXTIXOAMS-UHFFFAOYSA-N 0 0 404.393 5.135 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001448178 568985296 /nfs/dbraw/zinc/98/52/96/568985296.db2.gz ZMCGGUKSSNQHIN-UHFFFAOYSA-N 0 0 420.392 5.261 50 0 biogenic HKAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N(CC)CC)ccc2c1=O ZINC000001448179 568985360 /nfs/dbraw/zinc/98/53/60/568985360.db2.gz JAUQFXYSOGAXNC-UHFFFAOYSA-N 0 0 411.454 5.133 50 0 HKAARN Cc1cc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 ZINC000001448231 568985298 /nfs/dbraw/zinc/98/52/98/568985298.db2.gz GOZJMCLKEIJRFR-NRFANRHFSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1cc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)c1 ZINC000001448232 568985310 /nfs/dbraw/zinc/98/53/10/568985310.db2.gz GOZJMCLKEIJRFR-OAQYLSRUSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1C ZINC000001448233 557266952 /nfs/dbraw/zinc/26/69/52/557266952.db2.gz GPIVKKMUNCLQGL-QFIPXVFZSA-N 0 0 423.560 5.839 50 0 HKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c1C ZINC000001448234 557267025 /nfs/dbraw/zinc/26/70/25/557267025.db2.gz GPIVKKMUNCLQGL-JOCHJYFZSA-N 0 0 423.560 5.839 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1 ZINC000001448237 568985319 /nfs/dbraw/zinc/98/53/19/568985319.db2.gz YZTNCSLPACZILI-INIZCTEOSA-N 0 0 419.887 5.398 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1 ZINC000001448238 568985369 /nfs/dbraw/zinc/98/53/69/568985369.db2.gz YZTNCSLPACZILI-MRXNPFEDSA-N 0 0 419.887 5.398 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000001448239 557266936 /nfs/dbraw/zinc/26/69/36/557266936.db2.gz VDDFWXDLTSHWFB-SFHVURJKSA-N 0 0 401.897 5.259 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000001448240 557266866 /nfs/dbraw/zinc/26/68/66/557266866.db2.gz VDDFWXDLTSHWFB-GOSISDBHSA-N 0 0 401.897 5.259 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1 ZINC000001448243 557266919 /nfs/dbraw/zinc/26/69/19/557266919.db2.gz FCPKLAFQEHYQCW-SFHVURJKSA-N 0 0 401.897 5.259 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1 ZINC000001448244 557267175 /nfs/dbraw/zinc/26/71/75/557267175.db2.gz FCPKLAFQEHYQCW-GOSISDBHSA-N 0 0 401.897 5.259 50 0 HKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000001448245 557267179 /nfs/dbraw/zinc/26/71/79/557267179.db2.gz SVEVWNAUWQQRIR-QFIPXVFZSA-N 0 0 409.533 5.729 50 0 HKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000001448246 557267165 /nfs/dbraw/zinc/26/71/65/557267165.db2.gz SVEVWNAUWQQRIR-JOCHJYFZSA-N 0 0 409.533 5.729 50 0 HKAARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc32)ccc1O ZINC000001448322 560583276 /nfs/dbraw/zinc/58/32/76/560583276.db2.gz ICBUOZHDQKKUOR-VWLOTQADSA-N 0 0 410.473 5.715 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc32)ccc1O ZINC000001448323 560583222 /nfs/dbraw/zinc/58/32/22/560583222.db2.gz ICBUOZHDQKKUOR-RUZDIDTESA-N 0 0 410.473 5.715 50 0 HKAARN COc1cc([C@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000001448688 557267236 /nfs/dbraw/zinc/26/72/36/557267236.db2.gz ZNHBAJAVRCBEQY-QFIPXVFZSA-N 0 0 407.470 5.000 50 0 HKAARN COc1cc([C@@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000001448689 557267304 /nfs/dbraw/zinc/26/73/04/557267304.db2.gz ZNHBAJAVRCBEQY-JOCHJYFZSA-N 0 0 407.470 5.000 50 0 HKAARN COc1ccc([C@H](OC(=O)c2ccccc2Cl)c2nccc3ccccc32)cc1 ZINC000001448900 568985533 /nfs/dbraw/zinc/98/55/33/568985533.db2.gz BLDWOSLRHNFAMA-QHCPKHFHSA-N 0 0 403.865 5.843 50 0 HKAARN COc1ccc([C@@H](OC(=O)c2ccccc2Cl)c2nccc3ccccc32)cc1 ZINC000001448901 568985560 /nfs/dbraw/zinc/98/55/60/568985560.db2.gz BLDWOSLRHNFAMA-HSZRJFAPSA-N 0 0 403.865 5.843 50 0 HKAARN O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001452566 568986593 /nfs/dbraw/zinc/98/65/93/568986593.db2.gz PVSQXFJTYUXYML-SFHVURJKSA-N 0 0 405.306 5.106 50 0 HKAARN O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001452567 568986579 /nfs/dbraw/zinc/98/65/79/568986579.db2.gz PVSQXFJTYUXYML-GOSISDBHSA-N 0 0 405.306 5.106 50 0 HKAARN O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001452571 568986542 /nfs/dbraw/zinc/98/65/42/568986542.db2.gz BNBDWDYYHWSFPT-SFHVURJKSA-N 0 0 405.306 5.106 50 0 HKAARN O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1cccs1 ZINC000001452572 568986605 /nfs/dbraw/zinc/98/66/05/568986605.db2.gz BNBDWDYYHWSFPT-GOSISDBHSA-N 0 0 405.306 5.106 50 0 HKAARN O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)NC(=S)N1c1ccccc1 ZINC000001452593 568986673 /nfs/dbraw/zinc/98/66/73/568986673.db2.gz GVWLKUAHPWJUAL-BOPFTXTBSA-N 0 0 415.301 5.516 50 0 HKAARN COc1ccc(Cc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000001452858 557267517 /nfs/dbraw/zinc/26/75/17/557267517.db2.gz ZISLTUOYJGVZQZ-UHFFFAOYSA-N 0 0 413.521 5.077 50 0 HKAARN COc1cc2c(cc1OC)C(c1ccc(-c3ccc(Cl)cc3Cl)o1)=NCC2 ZINC000001453172 569060397 /nfs/dbraw/zinc/06/03/97/569060397.db2.gz OKXSCKAQLXJNPE-UHFFFAOYSA-N 0 0 402.277 5.664 50 0 biogenic HKAARN COc1cc2c(cc1OC)C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)=NCC2 ZINC000001453173 569060378 /nfs/dbraw/zinc/06/03/78/569060378.db2.gz MRWNESHUWGQEMM-UHFFFAOYSA-N 0 0 402.277 5.664 50 0 biogenic HKAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000001453666 557267570 /nfs/dbraw/zinc/26/75/70/557267570.db2.gz XQLUPEAIKWJZBW-UHFFFAOYSA-N 0 0 403.356 5.394 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000001453755 568986743 /nfs/dbraw/zinc/98/67/43/568986743.db2.gz QFCPMCXYUSSNEN-SIKLNZKXSA-N 0 0 422.868 5.270 50 0 HKAARN COc1ccc(C(=O)c2ccc(N3CCC(C)CC3)c(F)c2)cc1Br ZINC000001453785 132246320 /nfs/dbraw/zinc/24/63/20/132246320.db2.gz NAXLVOVOLZRBKS-UHFFFAOYSA-N 0 0 406.295 5.064 50 0 HKAARN O=C(CSc1nc2ccccc2o1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001454036 568987168 /nfs/dbraw/zinc/98/71/68/568987168.db2.gz UYBHBJCJIHMMHE-UHFFFAOYSA-N 0 0 415.927 5.259 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCCC2 ZINC000001454215 568986870 /nfs/dbraw/zinc/98/68/70/568986870.db2.gz GPAUXIZQAITYKU-GFCCVEGCSA-N 0 0 403.569 5.242 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCCC2 ZINC000001454216 568986995 /nfs/dbraw/zinc/98/69/95/568986995.db2.gz GPAUXIZQAITYKU-LBPRGKRZSA-N 0 0 403.569 5.242 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 ZINC000001454263 568986884 /nfs/dbraw/zinc/98/68/84/568986884.db2.gz DQXIRCFKLYLYJS-UHFFFAOYSA-N 0 0 407.322 5.367 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 ZINC000001454283 557267579 /nfs/dbraw/zinc/26/75/79/557267579.db2.gz WSHXDXKCIIUSOX-KBXCAEBGSA-N 0 0 401.285 5.346 50 0 HKAARN c1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2ccncc2)cc1 ZINC000001454304 557267530 /nfs/dbraw/zinc/26/75/30/557267530.db2.gz GIAIJRJPPCSYOA-UHFFFAOYSA-N 0 0 401.520 5.231 50 0 HKAARN c1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccnc2)cc1 ZINC000001454307 568987015 /nfs/dbraw/zinc/98/70/15/568987015.db2.gz KHQMXRLFMNISNO-UHFFFAOYSA-N 0 0 401.520 5.231 50 0 HKAARN c1csc(-c2nnc(SCc3nc4ccccc4s3)n2-c2ccccc2)c1 ZINC000001454341 557267540 /nfs/dbraw/zinc/26/75/40/557267540.db2.gz STXOKZLTLMFKNO-UHFFFAOYSA-N 0 0 406.561 5.898 50 0 HKAARN Cc1cccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)c1C ZINC000001454351 568986984 /nfs/dbraw/zinc/98/69/84/568986984.db2.gz WQHBDQHASKCMJN-UHFFFAOYSA-N 0 0 423.538 5.727 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1OC ZINC000001454642 568986905 /nfs/dbraw/zinc/98/69/05/568986905.db2.gz PTPQSEXRCBWYDX-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN COc1ccc(CCNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000001454834 568987162 /nfs/dbraw/zinc/98/71/62/568987162.db2.gz WJDWDSFRKRXKDN-UHFFFAOYSA-N 0 0 420.292 5.243 50 0 HKAARN COc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1 ZINC000001455642 568987222 /nfs/dbraw/zinc/98/72/22/568987222.db2.gz VRVZDFQMKUPUGD-OAHLLOKOSA-N 0 0 406.294 5.138 50 0 HKAARN COc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1 ZINC000001455643 568987219 /nfs/dbraw/zinc/98/72/19/568987219.db2.gz VRVZDFQMKUPUGD-HNNXBMFYSA-N 0 0 406.294 5.138 50 0 HKAARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000001456150 132246597 /nfs/dbraw/zinc/24/65/97/132246597.db2.gz MWKDGTQTIAUTGP-UHFFFAOYSA-N 0 0 422.536 5.538 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)c(OC)c1OC ZINC000001456429 557267937 /nfs/dbraw/zinc/26/79/37/557267937.db2.gz SSFBMGPWKIPMTM-UHFFFAOYSA-N 0 0 404.441 5.576 50 0 HKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc(OC)c1O ZINC000001456436 568987053 /nfs/dbraw/zinc/98/70/53/568987053.db2.gz BINZFQJBVATPPO-UHFFFAOYSA-N 0 0 406.869 5.787 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000001456934 557267825 /nfs/dbraw/zinc/26/78/25/557267825.db2.gz OJAORGDBJDRUCQ-UHFFFAOYSA-N 0 0 408.501 5.499 50 0 HKAARN CCc1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000001457178 568987146 /nfs/dbraw/zinc/98/71/46/568987146.db2.gz NYUDSPBYFUZABX-UHFFFAOYSA-N 0 0 405.563 5.099 50 0 HKAARN COc1cc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3)C2=O)ccc1OC(F)F ZINC000001457654 521949866 /nfs/dbraw/zinc/94/98/66/521949866.db2.gz VODAUYOHBFMFEN-QBSYBSNLSA-N 0 0 413.464 5.583 50 0 HKAARN CCc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]3C2)cc1 ZINC000001458799 568987301 /nfs/dbraw/zinc/98/73/01/568987301.db2.gz ZEGSSFRCYVEIHQ-QFIPXVFZSA-N 0 0 412.489 5.492 50 0 biogenic HKAARN CCc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]3C2)cc1 ZINC000001458800 568987375 /nfs/dbraw/zinc/98/73/75/568987375.db2.gz ZEGSSFRCYVEIHQ-JOCHJYFZSA-N 0 0 412.489 5.492 50 0 biogenic HKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000001459717 568987383 /nfs/dbraw/zinc/98/73/83/568987383.db2.gz AXODPUWQSGHBRV-UHFFFAOYSA-N 0 0 421.544 5.700 50 0 HKAARN CCOc1ccc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2c1 ZINC000001459772 557268173 /nfs/dbraw/zinc/26/81/73/557268173.db2.gz JQMOZZCFDRGHHN-UHFFFAOYSA-N 0 0 411.509 5.416 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000001459806 568987318 /nfs/dbraw/zinc/98/73/18/568987318.db2.gz PEOHWJLBZQXSDA-IAGOWNOFSA-N 0 0 402.494 5.076 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000001459807 568987345 /nfs/dbraw/zinc/98/73/45/568987345.db2.gz PEOHWJLBZQXSDA-IRXDYDNUSA-N 0 0 402.494 5.076 50 0 HKAARN CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000001459920 557268122 /nfs/dbraw/zinc/26/81/22/557268122.db2.gz ITLLNJZEFJIHRH-HIFRSBDPSA-N 0 0 405.325 5.499 50 0 HKAARN CC[C@H](C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000001459921 557268228 /nfs/dbraw/zinc/26/82/28/557268228.db2.gz ITLLNJZEFJIHRH-ZFWWWQNUSA-N 0 0 405.325 5.499 50 0 HKAARN CC[C@@H](C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000001459922 557268551 /nfs/dbraw/zinc/26/85/51/557268551.db2.gz ITLLNJZEFJIHRH-UKRRQHHQSA-N 0 0 405.325 5.499 50 0 HKAARN CC[C@H](C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000001459923 557268567 /nfs/dbraw/zinc/26/85/67/557268567.db2.gz ITLLNJZEFJIHRH-DZGCQCFKSA-N 0 0 405.325 5.499 50 0 HKAARN Cc1cccc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000001460243 568988231 /nfs/dbraw/zinc/98/82/31/568988231.db2.gz TVFBUXTUGVOEJN-UHFFFAOYSA-N 0 0 421.544 5.700 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001460350 568988251 /nfs/dbraw/zinc/98/82/51/568988251.db2.gz RMASZIYHMOTGIH-JOCHJYFZSA-N 0 0 422.484 5.438 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001460351 568988234 /nfs/dbraw/zinc/98/82/34/568988234.db2.gz RMASZIYHMOTGIH-QFIPXVFZSA-N 0 0 422.484 5.438 50 0 HKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000001460394 568988218 /nfs/dbraw/zinc/98/82/18/568988218.db2.gz NJLQOXQUVAZVEI-UHFFFAOYSA-N 0 0 421.544 5.700 50 0 HKAARN COc1ccc(OCC(=O)n2c3ccccc3nc2SCc2ccccc2)cc1 ZINC000001462100 568988808 /nfs/dbraw/zinc/98/88/08/568988808.db2.gz SULULLLMXJFLFW-UHFFFAOYSA-N 0 0 404.491 5.056 50 0 HKAARN COc1ccc(-c2noc(CC(=O)Nc3ccccc3)c2-c2ccc(OC)cc2)cc1 ZINC000001462217 568988864 /nfs/dbraw/zinc/98/88/64/568988864.db2.gz NTRZQNAKRFBUDA-UHFFFAOYSA-N 0 0 414.461 5.207 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccco2)Sc2cccc3cccnc32)cc1OC ZINC000001463200 568989022 /nfs/dbraw/zinc/98/90/22/568989022.db2.gz ACNGCUNXAIQROK-HSZRJFAPSA-N 0 0 419.502 5.951 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccco2)Sc2cccc3cccnc32)cc1OC ZINC000001463201 568988994 /nfs/dbraw/zinc/98/89/94/568988994.db2.gz ACNGCUNXAIQROK-QHCPKHFHSA-N 0 0 419.502 5.951 50 0 HKAARN COc1cc([C@@H](CC(=O)c2cccs2)Sc2ccccc2)cc(OC)c1OC ZINC000001463227 568988988 /nfs/dbraw/zinc/98/89/88/568988988.db2.gz AKALSHQUQSZUQX-OAQYLSRUSA-N 0 0 414.548 5.880 50 0 HKAARN COc1cc([C@H](CC(=O)c2cccs2)Sc2ccccc2)cc(OC)c1OC ZINC000001463228 568988991 /nfs/dbraw/zinc/98/89/91/568988991.db2.gz AKALSHQUQSZUQX-NRFANRHFSA-N 0 0 414.548 5.880 50 0 HKAARN CC(=O)Nc1ccccc1S[C@@H](CC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000001463269 568989014 /nfs/dbraw/zinc/98/90/14/568989014.db2.gz YNUMZAUJPFCUSI-QFIPXVFZSA-N 0 0 409.463 5.073 50 0 HKAARN CC(=O)Nc1ccccc1S[C@H](CC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000001463270 568989025 /nfs/dbraw/zinc/98/90/25/568989025.db2.gz YNUMZAUJPFCUSI-JOCHJYFZSA-N 0 0 409.463 5.073 50 0 HKAARN O=C(C[C@H](Sc1cccc2cccnc21)c1ccc2c(c1)OCO2)c1cccs1 ZINC000001463358 568989004 /nfs/dbraw/zinc/98/90/04/568989004.db2.gz JGSPSCPKQXJLSC-QFIPXVFZSA-N 0 0 419.527 6.131 50 0 HKAARN O=C(C[C@@H](Sc1cccc2cccnc21)c1ccc2c(c1)OCO2)c1cccs1 ZINC000001463359 568988983 /nfs/dbraw/zinc/98/89/83/568988983.db2.gz JGSPSCPKQXJLSC-JOCHJYFZSA-N 0 0 419.527 6.131 50 0 HKAARN CCOC(=O)c1c2cc(OCC(=O)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000001463412 568988993 /nfs/dbraw/zinc/98/89/93/568988993.db2.gz MVNKKMVLIXPBJR-UHFFFAOYSA-N 0 0 400.430 5.538 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3C)cc21 ZINC000001463660 568989038 /nfs/dbraw/zinc/98/90/38/568989038.db2.gz DOIXAWRODIYNOD-UHFFFAOYSA-N 0 0 417.255 5.208 50 0 HKAARN CCOC(=O)c1c2cc(OCC=C(C)C)c(Br)cc2oc1C(C)(C)C ZINC000001463678 568988987 /nfs/dbraw/zinc/98/89/87/568988987.db2.gz GXZFMVRBNKQMMP-UHFFFAOYSA-N 0 0 409.320 6.015 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(F)cc3)cc21 ZINC000001463693 568988995 /nfs/dbraw/zinc/98/89/95/568988995.db2.gz GSJVNXAMYWUYLF-UHFFFAOYSA-N 0 0 421.218 5.039 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccccc3)ccc2oc1-c1ccc(OC)cc1 ZINC000001463695 568988978 /nfs/dbraw/zinc/98/89/78/568988978.db2.gz MIGWKHYCUUPPGJ-UHFFFAOYSA-N 0 0 402.446 5.864 50 0 HKAARN Cc1oc2ccc(OC(=O)c3ccccc3Br)cc2c1C(=O)OC(C)C ZINC000001463700 568989036 /nfs/dbraw/zinc/98/90/36/568989036.db2.gz BCGWJZNPOUHNJW-UHFFFAOYSA-N 0 0 417.255 5.288 50 0 HKAARN Cc1csc(-c2coc3c(C)c(OC(=O)c4ccccc4Cl)ccc3c2=O)n1 ZINC000001463823 568989023 /nfs/dbraw/zinc/98/90/23/568989023.db2.gz ADUAVFMZNZNLDH-UHFFFAOYSA-N 0 0 411.866 5.406 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1OC ZINC000001463836 568988985 /nfs/dbraw/zinc/98/89/85/568988985.db2.gz AJLBUBNANNQPLM-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 ZINC000001463851 568989009 /nfs/dbraw/zinc/98/90/09/568989009.db2.gz VRGFCMGRNNQOKS-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000001463853 568989035 /nfs/dbraw/zinc/98/90/35/568989035.db2.gz QGYZOTMDVWTCGZ-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001463855 568988984 /nfs/dbraw/zinc/98/89/84/568988984.db2.gz BKUZBJQQUYADJZ-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1OC ZINC000001463861 568989040 /nfs/dbraw/zinc/98/90/40/568989040.db2.gz AIABOZVHORZBRV-UHFFFAOYSA-N 0 0 420.436 5.504 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1OC ZINC000001463866 568989005 /nfs/dbraw/zinc/98/90/05/568989005.db2.gz LHXFVOBIIHGJJQ-UHFFFAOYSA-N 0 0 420.436 5.504 50 0 HKAARN COc1cccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2OC)c3=O)c1 ZINC000001463885 568989012 /nfs/dbraw/zinc/98/90/12/568989012.db2.gz BBLNEGDRWNLUMZ-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)cc1 ZINC000001463934 568989030 /nfs/dbraw/zinc/98/90/30/568989030.db2.gz DPNMLJOGXRWRRM-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN Cc1nn([S@](=O)c2ccc3ccccc3c2)c(C)c1Sc1ccc(Cl)cc1 ZINC000001465096 568990217 /nfs/dbraw/zinc/99/02/17/568990217.db2.gz RSXBPMZLFGZZBX-MHZLTWQESA-N 0 0 412.967 6.029 50 0 HKAARN Cc1nn(C(=O)c2ccc(Br)cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000001465099 557268862 /nfs/dbraw/zinc/26/88/62/557268862.db2.gz JNYWGSJFPCFVHN-UHFFFAOYSA-N 0 0 421.747 5.756 50 0 HKAARN O=C(Nc1ccccc1)c1sc(Nc2c(F)cccc2F)nc1-c1ccccc1 ZINC000001465355 568990429 /nfs/dbraw/zinc/99/04/29/568990429.db2.gz DASXMRDROFCXKH-UHFFFAOYSA-N 0 0 407.445 6.084 50 0 HKAARN Cc1cc(C(=O)CSc2cc(C)c3ccccc3n2)c(C)n1Cc1ccccc1 ZINC000001465358 568990452 /nfs/dbraw/zinc/99/04/52/568990452.db2.gz YBWIVNJWGXZPSV-UHFFFAOYSA-N 0 0 400.547 5.985 50 0 HKAARN COc1ccc2c(C)cc(SCC(=O)Nc3ccc(SC(F)F)cc3)nc2c1 ZINC000001465425 568990464 /nfs/dbraw/zinc/99/04/64/568990464.db2.gz SYLQRTVTAWJMRH-UHFFFAOYSA-N 0 0 420.506 5.597 50 0 HKAARN COc1cccc(NC(=O)CSc2ncnc3sc(C)c(-c4ccccc4)c32)c1 ZINC000001465486 568990894 /nfs/dbraw/zinc/99/08/94/568990894.db2.gz FZYLBLNYGPRJJK-UHFFFAOYSA-N 0 0 421.547 5.406 50 0 HKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cc2ccccc2o1 ZINC000001465661 568990653 /nfs/dbraw/zinc/99/06/53/568990653.db2.gz YBBJQYRRFVZQHC-UHFFFAOYSA-N 0 0 421.474 5.599 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C=C/c1ccco1 ZINC000001465662 569320323 /nfs/dbraw/zinc/32/03/23/569320323.db2.gz SGPMELYIMLLASY-VAWYXSNFSA-N 0 0 409.507 5.960 50 0 HKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)Cc1cccc2ccccc21 ZINC000001465703 568990674 /nfs/dbraw/zinc/99/06/74/568990674.db2.gz JSXIEFMHQSZCCB-UHFFFAOYSA-N 0 0 421.543 5.988 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccc2ccccc2c1 ZINC000001465775 568990671 /nfs/dbraw/zinc/99/06/71/568990671.db2.gz JIELCQHAYWUXMV-UHFFFAOYSA-N 0 0 405.475 5.899 50 0 HKAARN Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c(C)c1 ZINC000001465876 568990919 /nfs/dbraw/zinc/99/09/19/568990919.db2.gz CIOOMBBGYQUMSC-UHFFFAOYSA-N 0 0 400.507 5.818 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1c(Cl)cccc1Cl ZINC000001465889 568990960 /nfs/dbraw/zinc/99/09/60/568990960.db2.gz GQUIUMNRXWTAMJ-UHFFFAOYSA-N 0 0 424.378 5.608 50 0 HKAARN COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)c(OC)c1 ZINC000001466491 568991531 /nfs/dbraw/zinc/99/15/31/568991531.db2.gz NQJOCLYNNJSEIF-UHFFFAOYSA-N 0 0 410.473 5.122 50 0 HKAARN O=C(COc1ccc(F)cc1)n1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000001467661 568991731 /nfs/dbraw/zinc/99/17/31/568991731.db2.gz FWUPWRYLHUPXBT-UHFFFAOYSA-N 0 0 410.445 5.326 50 0 HKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nc(COc2ccccc2)cs1 ZINC000001467703 560581200 /nfs/dbraw/zinc/58/12/00/560581200.db2.gz ABAHUGQVSWRDED-MDZDMXLPSA-N 0 0 404.413 5.393 50 0 HKAARN CCOC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2c1cc(O)c1ccccc21 ZINC000001467868 568991817 /nfs/dbraw/zinc/99/18/17/568991817.db2.gz KYFJTAKBDCUILN-UHFFFAOYSA-N 0 0 403.478 5.373 50 0 HKAARN COc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000001470591 568928401 /nfs/dbraw/zinc/92/84/01/568928401.db2.gz UZXHYXHPABVGQA-UHFFFAOYSA-N 0 0 413.304 5.979 50 0 HKAARN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccs1 ZINC000001471285 557269404 /nfs/dbraw/zinc/26/94/04/557269404.db2.gz FUCQDNGHHZWAPD-UHFFFAOYSA-N 0 0 405.548 5.669 50 0 HKAARN COC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 ZINC000001471286 557269517 /nfs/dbraw/zinc/26/95/17/557269517.db2.gz MSXJXQQXPHOUBL-UHFFFAOYSA-N 0 0 415.927 5.068 50 0 HKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000001471626 568994471 /nfs/dbraw/zinc/99/44/71/568994471.db2.gz BWMRMYWAHWWYFU-UHFFFAOYSA-N 0 0 421.375 5.549 50 0 HKAARN Cc1nc2sc(C(=O)Nc3cccc(Cl)c3Cl)c(N)c2c2c1CCCC2 ZINC000001471879 568994955 /nfs/dbraw/zinc/99/49/55/568994955.db2.gz CJRYMXWYCJDQEN-UHFFFAOYSA-N 0 0 406.338 5.625 50 0 HKAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 ZINC000001471894 568994841 /nfs/dbraw/zinc/99/48/41/568994841.db2.gz NPEHYYBSOVZKFH-UHFFFAOYSA-N 0 0 409.898 5.460 50 0 HKAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)c1ccc(Cl)cc1Cl ZINC000001471945 568995013 /nfs/dbraw/zinc/99/50/13/568995013.db2.gz IUNIRCSPLYEUCQ-UHFFFAOYSA-N 0 0 400.290 5.478 50 0 HKAARN Cc1nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c2c2c1CCCC2 ZINC000001471992 568994910 /nfs/dbraw/zinc/99/49/10/568994910.db2.gz WXOMNNSSNPQZJV-UHFFFAOYSA-N 0 0 406.338 5.625 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(C)cc3)ccc2c1N ZINC000001472112 568995011 /nfs/dbraw/zinc/99/50/11/568995011.db2.gz SFCBOSCNFITERC-UHFFFAOYSA-N 0 0 423.925 5.768 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001472333 568995184 /nfs/dbraw/zinc/99/51/84/568995184.db2.gz QRSVKJNYPQYCSJ-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(SC(F)F)cc1 ZINC000001473169 568997690 /nfs/dbraw/zinc/99/76/90/568997690.db2.gz XTEOJQXPVSYJGK-UHFFFAOYSA-N 0 0 401.434 5.811 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000001474769 557269705 /nfs/dbraw/zinc/26/97/05/557269705.db2.gz CUZSKGYBGSHMEG-UHFFFAOYSA-N 0 0 422.000 5.523 50 0 HKAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1cccc(Cl)c1 ZINC000001474805 569282382 /nfs/dbraw/zinc/28/23/82/569282382.db2.gz METFVZZELZJGLQ-UHFFFAOYSA-N 0 0 407.973 5.215 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 ZINC000001474806 569287747 /nfs/dbraw/zinc/28/77/47/569287747.db2.gz DZXCIOCOMNEIJG-UHFFFAOYSA-N 0 0 401.582 5.178 50 0 HKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(SCc2ccccc2)s1 ZINC000001474807 569007798 /nfs/dbraw/zinc/00/77/98/569007798.db2.gz AEXDKPGEZYICBJ-UHFFFAOYSA-N 0 0 415.609 5.685 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000001474828 557269766 /nfs/dbraw/zinc/26/97/66/557269766.db2.gz OQBXPTYDKHXLMQ-UHFFFAOYSA-N 0 0 420.925 5.266 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001476568 569287809 /nfs/dbraw/zinc/28/78/09/569287809.db2.gz RRRANIKEHZUKNE-UHFFFAOYSA-N 0 0 420.925 5.266 50 0 HKAARN O=C(Nc1sc(-c2cccnc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000001477087 569000303 /nfs/dbraw/zinc/00/03/03/569000303.db2.gz XTLCKCPHDIKURD-UHFFFAOYSA-N 0 0 409.873 5.917 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)o1 ZINC000001480357 569000923 /nfs/dbraw/zinc/00/09/23/569000923.db2.gz KDTMQSQBHXGJFA-UHFFFAOYSA-N 0 0 410.517 5.898 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl ZINC000001480423 557270147 /nfs/dbraw/zinc/27/01/47/557270147.db2.gz BWHWUIAXAWPWKC-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN O=C(N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000001480464 557270049 /nfs/dbraw/zinc/27/00/49/557270049.db2.gz ZXQOFQGABIYFFW-AWEZNQCLSA-N 0 0 413.515 5.499 50 0 HKAARN O=C(N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000001480465 557270132 /nfs/dbraw/zinc/27/01/32/557270132.db2.gz ZXQOFQGABIYFFW-CQSZACIVSA-N 0 0 413.515 5.499 50 0 HKAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C=C/c1ccccc1 ZINC000001480942 569001026 /nfs/dbraw/zinc/00/10/26/569001026.db2.gz IGMMJBOIOYWVNG-NTEUORMPSA-N 0 0 407.491 5.252 50 0 HKAARN O=C1OC(c2ccccc2Br)=NC1=CNc1ccc(Cl)cc1Cl ZINC000001497212 569004239 /nfs/dbraw/zinc/00/42/39/569004239.db2.gz ZSWSDBWPQFCHJB-ZSOIEALJSA-N 0 0 412.070 5.013 50 0 HKAARN O=C(Nc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1Cl)c1ccccc1 ZINC000001499570 569004482 /nfs/dbraw/zinc/00/44/82/569004482.db2.gz CNKWWRNMKTTWFC-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C/c1cc(Br)cs1 ZINC000001499607 569004596 /nfs/dbraw/zinc/00/45/96/569004596.db2.gz KFHXBIGGFUGKDG-LFYBBSHMSA-N 0 0 403.084 5.162 50 0 HKAARN N=c1oc2ccc(Br)cc2cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000001501035 569006069 /nfs/dbraw/zinc/00/60/69/569006069.db2.gz QTSNQWBJNYNEOZ-UHFFFAOYSA-N 0 0 412.070 5.234 50 0 HKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000001501371 557270447 /nfs/dbraw/zinc/27/04/47/557270447.db2.gz DFZAJZITWMSBDA-UHFFFAOYSA-N 0 0 411.530 6.164 50 0 HKAARN Cc1ccnc(Sc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501383 557270496 /nfs/dbraw/zinc/27/04/96/557270496.db2.gz ATFOUTZAPSYPGR-UHFFFAOYSA-N 0 0 413.568 5.035 50 0 HKAARN CC(C)(C)c1cc2cc(NC(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc2[nH]1 ZINC000001501412 557270479 /nfs/dbraw/zinc/27/04/79/557270479.db2.gz CMBHMMHCHOILNO-UHFFFAOYSA-N 0 0 424.444 5.011 50 0 HKAARN CC(=O)N1CCC(N(C(=O)c2cccs2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501419 557270526 /nfs/dbraw/zinc/27/05/26/557270526.db2.gz GNEXENLEICKXTQ-UHFFFAOYSA-N 0 0 423.582 5.185 50 0 HKAARN O=C(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000001501423 557270492 /nfs/dbraw/zinc/27/04/92/557270492.db2.gz JHZUAGWSAHWICM-UHFFFAOYSA-N 0 0 406.272 5.743 50 0 HKAARN O=C(c1ccc(Cl)cc1)c1cnc(-c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000001501424 557270520 /nfs/dbraw/zinc/27/05/20/557270520.db2.gz YXAAGHFPSCAUJH-UHFFFAOYSA-N 0 0 406.272 5.743 50 0 HKAARN CC(C)(C)c1cc2cc(NC3CCN(C(=O)c4ccccc4Cl)CC3)ccc2[nH]1 ZINC000001501482 557270484 /nfs/dbraw/zinc/27/04/84/557270484.db2.gz QSORFIHZQGJXIJ-UHFFFAOYSA-N 0 0 409.961 5.836 50 0 HKAARN O[C@H](c1ccc(Cl)cc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000001501489 557270488 /nfs/dbraw/zinc/27/04/88/557270488.db2.gz KDKKJUOCEAKOJT-OAQYLSRUSA-N 0 0 408.288 5.594 50 0 HKAARN O[C@@H](c1ccc(Cl)cc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000001501491 557270465 /nfs/dbraw/zinc/27/04/65/557270465.db2.gz KDKKJUOCEAKOJT-NRFANRHFSA-N 0 0 408.288 5.594 50 0 HKAARN Cc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cccnc1 ZINC000001504843 569006678 /nfs/dbraw/zinc/00/66/78/569006678.db2.gz RIULWPYDWXWCBS-UHFFFAOYSA-N 0 0 400.265 5.201 50 0 HKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Br)cc1 ZINC000001505401 569006781 /nfs/dbraw/zinc/00/67/81/569006781.db2.gz YICNKASRSFRMER-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)oc2c1 ZINC000001505712 569006780 /nfs/dbraw/zinc/00/67/80/569006780.db2.gz SMNAHSYDMXWZSD-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1Cl ZINC000001506186 569006829 /nfs/dbraw/zinc/00/68/29/569006829.db2.gz JVJWZTJUYIRSMB-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 ZINC000001506409 569006886 /nfs/dbraw/zinc/00/68/86/569006886.db2.gz QNJWMRKVVDBVDS-UHFFFAOYSA-N 0 0 402.475 5.863 50 0 HKAARN O=C(Nc1cccc2ccccc21)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001506460 569006842 /nfs/dbraw/zinc/00/68/42/569006842.db2.gz QDCQIUARLPAVMI-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN O=C1OC(c2ccccc2Br)=NC1=CNc1cc(Cl)ccc1Cl ZINC000001506588 569006850 /nfs/dbraw/zinc/00/68/50/569006850.db2.gz IRUKLIGORABMPC-ZSOIEALJSA-N 0 0 412.070 5.013 50 0 HKAARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1ccc(Cl)cc1Cl ZINC000001507760 569007045 /nfs/dbraw/zinc/00/70/45/569007045.db2.gz NZRQHDSEHIPCHS-ZSOIEALJSA-N 0 0 412.070 5.013 50 0 HKAARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1cc(Cl)ccc1Cl ZINC000001507768 569007052 /nfs/dbraw/zinc/00/70/52/569007052.db2.gz GULVCHTVBHTPSO-ZSOIEALJSA-N 0 0 412.070 5.013 50 0 HKAARN CC(=O)Nc1cccc(-c2cc(-c3cccc(NC(C)=O)c3)nc(-c3ccccc3)n2)c1 ZINC000001507846 569007129 /nfs/dbraw/zinc/00/71/29/569007129.db2.gz OSPBXQCOCNOFJN-UHFFFAOYSA-N 0 0 422.488 5.394 50 0 HKAARN COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000001507874 569007144 /nfs/dbraw/zinc/00/71/44/569007144.db2.gz DIWCSSFZFFEUCE-GBXBDOIYSA-N 0 0 403.522 5.258 50 0 HKAARN CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 ZINC000001508083 569007014 /nfs/dbraw/zinc/00/70/14/569007014.db2.gz OCTPFJXBYJBJGY-OAHLLOKOSA-N 0 0 407.948 5.206 50 0 HKAARN CC1(C)SC(=S)N(c2ccccc2)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 ZINC000001508091 569007031 /nfs/dbraw/zinc/00/70/31/569007031.db2.gz OCTPFJXBYJBJGY-HNNXBMFYSA-N 0 0 407.948 5.206 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)c1cccc(C(=O)Nc2ccc3ccccc3c2)n1 ZINC000001508499 569007268 /nfs/dbraw/zinc/00/72/68/569007268.db2.gz 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CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000001533896 569024984 /nfs/dbraw/zinc/02/49/84/569024984.db2.gz WPGBZYODOQWWFN-UHFFFAOYSA-N 0 0 417.559 5.653 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000001533898 569024974 /nfs/dbraw/zinc/02/49/74/569024974.db2.gz HFNLOMRWMXKYNW-UHFFFAOYSA-N 0 0 415.971 5.714 50 0 HKAARN CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000001542929 557271844 /nfs/dbraw/zinc/27/18/44/557271844.db2.gz SAPNXPWPAUFAJU-UHFFFAOYSA-N 0 0 418.968 5.782 50 0 world HKAARN Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl ZINC000001550170 560182109 /nfs/dbraw/zinc/18/21/09/560182109.db2.gz HDCLCHNAEZNGNV-UHFFFAOYSA-N 0 0 415.718 5.968 50 0 in-vitro HKAARN C(=C/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(-c2nc3ccccc3o2)cc1 ZINC000001556898 557272206 /nfs/dbraw/zinc/27/22/06/557272206.db2.gz ORACIQIJMCYPHQ-MDZDMXLPSA-N 0 0 414.464 7.473 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001560964 569012602 /nfs/dbraw/zinc/01/26/02/569012602.db2.gz ZCJVUZBBRFOTKX-UHFFFAOYSA-N 0 0 420.679 6.489 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001560965 569012587 /nfs/dbraw/zinc/01/25/87/569012587.db2.gz HIHQCRDZALOBDX-UHFFFAOYSA-N 0 0 420.679 6.489 50 0 HKAARN COc1cc2c(cc1OC)C(c1c(C)onc1-c1c(Cl)cccc1Cl)=NCC2 ZINC000001572090 557273159 /nfs/dbraw/zinc/27/31/59/557273159.db2.gz OPCNQKDDOWBSAV-UHFFFAOYSA-N 0 0 417.292 5.368 50 0 HKAARN Cc1c(N2CCCC2)cc2c(c1NC(=O)c1ccccc1Cl)C(C)(C)CC2(C)C ZINC000001572767 557273090 /nfs/dbraw/zinc/27/30/90/557273090.db2.gz MEFFWHUBVHSLML-UHFFFAOYSA-N 0 0 410.989 6.460 50 0 in-vitro HKAARN CC(C)(C)SC(=S)SCC(=O)c1cc2cc(Br)ccc2o1 ZINC000001579658 557273744 /nfs/dbraw/zinc/27/37/44/557273744.db2.gz GLRXPYXAYKFWDP-UHFFFAOYSA-N 0 0 403.388 5.928 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 ZINC000001579735 569282413 /nfs/dbraw/zinc/28/24/13/569282413.db2.gz IZBMXOAQCSAWPJ-UHFFFAOYSA-N 0 0 423.299 6.470 50 0 HKAARN O=C(c1ccccc1)[C@@H](C[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001584193 560558387 /nfs/dbraw/zinc/55/83/87/560558387.db2.gz KPOYPXGVRAXXPN-SVBPBHIXSA-N 0 0 404.509 6.710 50 0 HKAARN O=C(c1ccccc1)[C@H](C[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001584194 560558409 /nfs/dbraw/zinc/55/84/09/560558409.db2.gz KPOYPXGVRAXXPN-KAYWLYCHSA-N 0 0 404.509 6.710 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)OCCN(C)C(=O)Nc1cc(Cl)ccc1C ZINC000001588514 557274690 /nfs/dbraw/zinc/27/46/90/557274690.db2.gz SSPYUZHYXWCWPA-UHFFFAOYSA-N 0 0 410.301 5.323 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000001588987 557274719 /nfs/dbraw/zinc/27/47/19/557274719.db2.gz VARNJAJOKUWOAT-UHFFFAOYSA-N 0 0 419.695 6.522 50 0 HKAARN CCCSC(=O)Nc1ccc(Cc2ccc(NC(=O)SCCC)cc2)cc1 ZINC000001590794 569012612 /nfs/dbraw/zinc/01/26/12/569012612.db2.gz CUDYMQSQAMATES-UHFFFAOYSA-N 0 0 402.585 6.628 50 0 HKAARN CC(=O)NC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001592597 557275068 /nfs/dbraw/zinc/27/50/68/557275068.db2.gz MCSLBZGLEIGWTI-UHFFFAOYSA-N 0 0 411.543 5.743 50 0 HKAARN ClC(Cl)=C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001596155 569012595 /nfs/dbraw/zinc/01/25/95/569012595.db2.gz XYMOLSVHRUAQPB-UHFFFAOYSA-N 0 0 406.932 6.406 50 0 HKAARN ClC1(Cl)SN(c2ccccc2)C(Cl)(Cl)SN1c1ccccc1 ZINC000001604694 569031056 /nfs/dbraw/zinc/03/10/56/569031056.db2.gz MPVHRNNNEQHLIA-UHFFFAOYSA-N 0 0 412.194 6.487 50 0 HKAARN Cc1ccc(C(O)(c2ccc(C)cc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000001622005 557276565 /nfs/dbraw/zinc/27/65/65/557276565.db2.gz UWVQXJFNNKWNLZ-UHFFFAOYSA-N 0 0 422.568 6.092 50 0 HKAARN O=C(Sc1sc(=S)sc1SC(=O)c1ccccc1)c1ccccc1 ZINC000001622293 557276624 /nfs/dbraw/zinc/27/66/24/557276624.db2.gz YQZPSSPUVUGQQS-UHFFFAOYSA-N 0 0 406.600 6.404 50 0 HKAARN Cc1ccc(C)c(Nc2nc(O)c(CC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000001622429 557276846 /nfs/dbraw/zinc/27/68/46/557276846.db2.gz IRAMVOUQVQWORO-MRXNPFEDSA-N 0 0 422.337 5.049 50 0 HKAARN CC(C)N(C(=O)c1ccc(C(=O)N(c2ccccc2)C(C)C)cc1)c1ccccc1 ZINC000001640130 557278033 /nfs/dbraw/zinc/27/80/33/557278033.db2.gz ADYLOKVCQUWSJF-UHFFFAOYSA-N 0 0 400.522 5.797 50 0 HKAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/SCc1ccccc1)N1CCCCC1 ZINC000001640436 569031541 /nfs/dbraw/zinc/03/15/41/569031541.db2.gz JMPXJKIBJJUVFW-JQIJEIRASA-N 0 0 407.750 5.737 50 0 HKAARN O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)Sc1ccccc1 ZINC000001640445 569031558 /nfs/dbraw/zinc/03/15/58/569031558.db2.gz KDLDVVOYKRVOOK-UHFFFAOYSA-N 0 0 418.754 6.902 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1-c1ccccc1 ZINC000001641207 559062069 /nfs/dbraw/zinc/06/20/69/559062069.db2.gz QARIOUOTENZTDH-UHFFFAOYSA-N 0 0 402.386 6.999 50 0 HKAARN Cc1c(C)c(-c2c(C)c(C)c(Br)c(C)c2C)c(C)c(C)c1Br ZINC000001643370 569012608 /nfs/dbraw/zinc/01/26/08/569012608.db2.gz PJIPXHPDUXVICC-UHFFFAOYSA-N 0 0 424.220 7.346 50 0 HKAARN CC(C)(C)c1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000001653049 557278810 /nfs/dbraw/zinc/27/88/10/557278810.db2.gz GSOYMOAPJZYXTB-UHFFFAOYSA-N 0 0 410.642 7.955 50 0 in-vivo HKAARN Cc1ccc2nc(-c3ccc(/N=c4\oc5ccccc5cc4C(N)=O)cc3)sc2c1 ZINC000001656409 569031696 /nfs/dbraw/zinc/03/16/96/569031696.db2.gz KAXTUTWOEMUPIL-RWEWTDSWSA-N 0 0 411.486 5.349 50 0 HKAARN Clc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000001658869 569031686 /nfs/dbraw/zinc/03/16/86/569031686.db2.gz GQHIAHYUXZUZOG-QYQHSDTDSA-N 0 0 406.272 6.515 50 0 HKAARN O=c1oc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001660078 557279132 /nfs/dbraw/zinc/27/91/32/557279132.db2.gz QGLAPFHTDCRVOR-UHFFFAOYSA-N 0 0 400.477 7.308 50 0 HKAARN CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000001661162 557279201 /nfs/dbraw/zinc/27/92/01/557279201.db2.gz MDWVSAYEQPLWMX-UHFFFAOYSA-N 0 0 424.669 7.879 50 0 in-vitro HKAARN CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000001661672 569031735 /nfs/dbraw/zinc/03/17/35/569031735.db2.gz PSWUWKSWXBQZGC-UHFFFAOYSA-N 0 0 420.965 6.246 50 0 HKAARN CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000001663339 557279079 /nfs/dbraw/zinc/27/90/79/557279079.db2.gz AASAJUFVVCTGFV-UHFFFAOYSA-N 0 0 417.314 5.143 50 0 HKAARN Cc1ccc(C(=O)c2ccc(CCc3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000001670094 569287882 /nfs/dbraw/zinc/28/78/82/569287882.db2.gz UKPMUAIJGCXPBB-UHFFFAOYSA-N 0 0 418.536 6.551 50 0 HKAARN ClC(c1ccccc1)(c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000001672036 557279649 /nfs/dbraw/zinc/27/96/49/557279649.db2.gz JWLJITRPNAZVRK-UHFFFAOYSA-N 0 0 403.352 7.352 50 0 HKAARN Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2 ZINC000001687554 569012627 /nfs/dbraw/zinc/01/26/27/569012627.db2.gz DESWTTXWHWPCJD-UHFFFAOYSA-N 0 0 417.926 5.128 50 0 HKAARN CCc1ccc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)cc1 ZINC000001689740 557280675 /nfs/dbraw/zinc/28/06/75/557280675.db2.gz UVEZKBHSZJILKL-UHFFFAOYSA-N 0 0 410.450 7.128 50 0 HKAARN O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1-c1ccccc1 ZINC000001692124 557281014 /nfs/dbraw/zinc/28/10/14/557281014.db2.gz GBLGVAZRPHWBIU-UHFFFAOYSA-N 0 0 416.571 5.817 50 0 HKAARN Cc1ccc(OP(=O)(Oc2ccc(C)c(C)c2)Oc2ccc(C)c(C)c2)cc1C ZINC000001693887 569287872 /nfs/dbraw/zinc/28/78/72/569287872.db2.gz BCTKCHOESSAGCN-UHFFFAOYSA-N 0 0 410.450 7.182 50 0 HKAARN Cc1cccc(OP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1C ZINC000001693913 569287886 /nfs/dbraw/zinc/28/78/86/569287886.db2.gz CAPOZRICGSDRLP-UHFFFAOYSA-N 0 0 410.450 7.182 50 0 HKAARN Cc1ccc(C)c(OP(=O)(Oc2cc(C)ccc2C)Oc2cc(C)ccc2C)c1 ZINC000001693914 569287905 /nfs/dbraw/zinc/28/79/05/569287905.db2.gz MDHAARLWBHZGIP-UHFFFAOYSA-N 0 0 410.450 7.182 50 0 HKAARN Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1 ZINC000001693933 569261440 /nfs/dbraw/zinc/26/14/40/569261440.db2.gz LLPMAOBOEQFPRE-UHFFFAOYSA-N 0 0 410.450 7.182 50 0 HKAARN C[C@@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000001695341 569282393 /nfs/dbraw/zinc/28/23/93/569282393.db2.gz ATHBXDPWCKSOLE-WTGUMLROSA-N 0 0 414.586 6.430 50 0 HKAARN O=C(Nc1cccc2cnccc21)c1ccc(C(=O)Nc2cccc3cnccc32)cc1 ZINC000001703250 559179372 /nfs/dbraw/zinc/17/93/72/559179372.db2.gz HGSHVEHTRPLTJR-UHFFFAOYSA-N 0 0 418.456 5.288 50 0 HKAARN O=C(OC1CCCCC1)c1ccccc1-c1ccccc1C(=O)OC1CCCCC1 ZINC000001705609 557281976 /nfs/dbraw/zinc/28/19/76/557281976.db2.gz WXYKSYQIZPBQLT-UHFFFAOYSA-N 0 0 406.522 6.333 50 0 HKAARN CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000001712105 557282242 /nfs/dbraw/zinc/28/22/42/557282242.db2.gz GDGDLBOVIAWEAD-UHFFFAOYSA-N 0 0 410.642 7.955 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000001715305 557282459 /nfs/dbraw/zinc/28/24/59/557282459.db2.gz ULCZSQUMVLKFFC-RUZDIDTESA-N 0 0 415.429 7.148 50 0 HKAARN Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1 ZINC000001718867 557282720 /nfs/dbraw/zinc/28/27/20/557282720.db2.gz KOWVWXQNQNCRRS-UHFFFAOYSA-N 0 0 410.450 7.182 50 0 HKAARN Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000001720678 557283002 /nfs/dbraw/zinc/28/30/02/557283002.db2.gz OENCHEBBVZSWKN-HXUWFJFHSA-N 0 0 402.346 6.682 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000001721589 557282979 /nfs/dbraw/zinc/28/29/79/557282979.db2.gz AYXDXVGGAIDTQI-NQPQQJEYSA-N 0 0 402.663 6.792 50 0 HKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000001724860 568824880 /nfs/dbraw/zinc/82/48/80/568824880.db2.gz WYWVDAOTGALEFP-UHFFFAOYSA-N 0 0 420.468 5.793 50 0 HKAARN O=C1/C(=C/c2c(Cl)cccc2Cl)CCC/C1=C/c1c(Cl)cccc1Cl ZINC000001728377 569039099 /nfs/dbraw/zinc/03/90/99/569039099.db2.gz QGRADUQJYBJJER-PJABCKPXSA-N 0 0 412.143 7.520 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001729354 557283202 /nfs/dbraw/zinc/28/32/02/557283202.db2.gz YIKKMWSQVKJCOP-ONDVZXOSSA-N 0 0 400.647 6.568 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Br)cc1 ZINC000001737780 569041649 /nfs/dbraw/zinc/04/16/49/569041649.db2.gz NSKMKBLHRXHNEZ-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)sc2c1 ZINC000001738379 557283779 /nfs/dbraw/zinc/28/37/79/557283779.db2.gz IWCWDWMWDGEJPT-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC000001738384 569012625 /nfs/dbraw/zinc/01/26/25/569012625.db2.gz VXORPWAYOYBWNQ-UHFFFAOYSA-N 0 0 405.803 6.561 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)sc2c1 ZINC000001738423 568827682 /nfs/dbraw/zinc/82/76/82/568827682.db2.gz XMAOQLGKPIMFSV-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000001738578 569041697 /nfs/dbraw/zinc/04/16/97/569041697.db2.gz MKGSRZUYTWXMTC-UHFFFAOYSA-N 0 0 412.558 7.027 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)sc2c1 ZINC000001738583 569041716 /nfs/dbraw/zinc/04/17/16/569041716.db2.gz OPMGYXZURQBIOU-UHFFFAOYSA-N 0 0 413.329 6.831 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)sc2c1 ZINC000001738598 557283758 /nfs/dbraw/zinc/28/37/58/557283758.db2.gz NVKWTYYGOOPYJI-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000001738603 557283724 /nfs/dbraw/zinc/28/37/24/557283724.db2.gz FDYBIZXETYRMBZ-UHFFFAOYSA-N 0 0 402.519 6.395 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000001738621 557283783 /nfs/dbraw/zinc/28/37/83/557283783.db2.gz FCGHYEHPPJODAQ-UHFFFAOYSA-N 0 0 404.680 6.130 50 0 HKAARN COc1ccc(OC)c(/C=C/c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)c1 ZINC000001738628 569012607 /nfs/dbraw/zinc/01/26/07/569012607.db2.gz LZDHWLOTHLRTDC-ZZXKWVIFSA-N 0 0 400.689 5.183 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1Br ZINC000001738653 569041729 /nfs/dbraw/zinc/04/17/29/569041729.db2.gz YTBUAYBIAXUWFM-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN Cc1ccc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)cc1 ZINC000001738749 569041748 /nfs/dbraw/zinc/04/17/48/569041748.db2.gz UDRHLCPRUPCQQG-UHFFFAOYSA-N 0 0 420.472 5.607 50 0 HKAARN O=c1nc(NCc2ccccc2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000001738759 557283704 /nfs/dbraw/zinc/28/37/04/557283704.db2.gz UZFBUOPLGXBRPX-UHFFFAOYSA-N 0 0 420.472 5.167 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000001738810 569041778 /nfs/dbraw/zinc/04/17/78/569041778.db2.gz RZWUAABGXODDCZ-UHFFFAOYSA-N 0 0 400.261 5.485 50 0 HKAARN Cc1ccc(NC(Nc2ccc(C)c(Cl)c2)C(Cl)(Cl)Cl)cc1Cl ZINC000001739799 569012622 /nfs/dbraw/zinc/01/26/22/569012622.db2.gz GQIRSJSFOWCEFK-UHFFFAOYSA-N 0 0 412.575 6.831 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 ZINC000001741025 557284019 /nfs/dbraw/zinc/28/40/19/557284019.db2.gz UEADSHVLVUUQTQ-UHFFFAOYSA-N 0 0 407.539 5.676 50 0 HKAARN CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Sc2nccc(C)n2)cc1 ZINC000001741027 557284086 /nfs/dbraw/zinc/28/40/86/557284086.db2.gz BSLWPNTYORFZSK-UHFFFAOYSA-N 0 0 405.567 5.900 50 0 HKAARN O=C(c1ccc(Cl)cc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000001741037 557283988 /nfs/dbraw/zinc/28/39/88/557283988.db2.gz BHPDHNCWTLEBAZ-UHFFFAOYSA-N 0 0 406.272 5.743 50 0 HKAARN Cc1cccc(OC(=O)Nc2ccc(C)c(NC(=O)Oc3cccc(C)c3C)c2)c1C ZINC000001741425 569012626 /nfs/dbraw/zinc/01/26/26/569012626.db2.gz JSXIMLSPUHCTPB-UHFFFAOYSA-N 0 0 418.493 6.451 50 0 HKAARN Cc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c(Cl)c1 ZINC000001741580 569012618 /nfs/dbraw/zinc/01/26/18/569012618.db2.gz ZYNWIRCOXRUSIF-UHFFFAOYSA-N 0 0 419.500 5.784 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3)oc2c1 ZINC000001742505 569050454 /nfs/dbraw/zinc/05/04/54/569050454.db2.gz DOMRKFBIHGULLH-RQZHXJHFSA-N 0 0 408.505 6.055 50 0 HKAARN CCCCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 ZINC000001743489 569050423 /nfs/dbraw/zinc/05/04/23/569050423.db2.gz PRVHMGHEARIZTO-UHFFFAOYSA-N 0 0 406.555 6.005 50 0 HKAARN CCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001744066 568828954 /nfs/dbraw/zinc/82/89/54/568828954.db2.gz BMMNGFWQFMBEOQ-UHFFFAOYSA-N 0 0 401.601 6.106 50 0 HKAARN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1 ZINC000001744227 557284308 /nfs/dbraw/zinc/28/43/08/557284308.db2.gz OOMRLAPGMXELSG-MDZDMXLPSA-N 0 0 402.490 5.973 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001744280 557284306 /nfs/dbraw/zinc/28/43/06/557284306.db2.gz WKKRSSDPYAKWAT-UHFFFAOYSA-N 0 0 409.507 5.226 50 0 HKAARN Cc1cc(OC(=O)c2ccc(Cl)cc2)cc(OC(=O)c2ccc(Cl)cc2)c1 ZINC000001744286 557284295 /nfs/dbraw/zinc/28/42/95/557284295.db2.gz QYTRPNSQJWORCD-UHFFFAOYSA-N 0 0 401.245 5.740 50 0 biogenic HKAARN O=c1oc(-c2ccccc2F)nc2scc(-c3ccc(Br)cc3)c21 ZINC000001745013 557284250 /nfs/dbraw/zinc/28/42/50/557284250.db2.gz OSWDZDSEARNMCE-UHFFFAOYSA-N 0 0 402.244 5.485 50 0 HKAARN O=c1oc2cc(OCc3ccc(Br)cc3)c(Cl)cc2c2c1CCC2 ZINC000001745124 557284284 /nfs/dbraw/zinc/28/42/84/557284284.db2.gz KCQXSBUNKNBTLG-UHFFFAOYSA-N 0 0 405.675 5.277 50 0 HKAARN Cc1cc(C)c(C)c(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001745242 569051441 /nfs/dbraw/zinc/05/14/41/569051441.db2.gz XZYVFZXQGHXFBT-UHFFFAOYSA-N 0 0 418.924 5.721 50 0 HKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cccc(Cl)c1 ZINC000001746117 568828968 /nfs/dbraw/zinc/82/89/68/568828968.db2.gz JWHIHUFQWDHSHX-UHFFFAOYSA-N 0 0 424.978 6.809 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1 ZINC000001746120 557284539 /nfs/dbraw/zinc/28/45/39/557284539.db2.gz AQYUTQCAEPITCA-UHFFFAOYSA-N 0 0 415.543 5.604 50 0 HKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(Cl)cc1 ZINC000001746122 569051402 /nfs/dbraw/zinc/05/14/02/569051402.db2.gz QAZAWZKAMJFPFW-UHFFFAOYSA-N 0 0 424.978 6.809 50 0 HKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccccc1Cl ZINC000001746136 569051489 /nfs/dbraw/zinc/05/14/89/569051489.db2.gz UGCGRMZIGUPOQH-UHFFFAOYSA-N 0 0 424.978 6.809 50 0 HKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1-n1c(C)ccc1C ZINC000001746451 568828995 /nfs/dbraw/zinc/82/89/95/568828995.db2.gz YWCORXWTVVQGFQ-UHFFFAOYSA-N 0 0 401.531 6.666 50 0 HKAARN Cc1cc2nnc(SCCOc3ccc(Cl)cc3Cl)n2c2ccccc12 ZINC000001746504 569051650 /nfs/dbraw/zinc/05/16/50/569051650.db2.gz HGVVKQYEDORVCI-UHFFFAOYSA-N 0 0 404.322 5.669 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001746507 568829005 /nfs/dbraw/zinc/82/90/05/568829005.db2.gz BUKZVFIIWLFAKB-UHFFFAOYSA-N 0 0 407.535 6.142 50 0 HKAARN c1ccc2cc(Oc3nnc(Oc4ccc5ccccc5c4)c4ccccc43)ccc2c1 ZINC000001746567 568828973 /nfs/dbraw/zinc/82/89/73/568828973.db2.gz GTOATMUZCWCCGL-UHFFFAOYSA-N 0 0 414.464 7.521 50 0 HKAARN CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc1OCC ZINC000001746845 569051733 /nfs/dbraw/zinc/05/17/33/569051733.db2.gz XLCHUHRRURLCNM-SXGWCWSVSA-N 0 0 406.265 5.135 50 0 HKAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2ccccc2)cc1 ZINC000001747180 557284609 /nfs/dbraw/zinc/28/46/09/557284609.db2.gz SRWPGGPRCQEAAQ-UHFFFAOYSA-N 0 0 413.473 5.116 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1sc2ccccc2c1Cl ZINC000001748003 557284613 /nfs/dbraw/zinc/28/46/13/557284613.db2.gz YGIHQKGPQYQXFR-UHFFFAOYSA-N 0 0 420.946 7.084 50 0 HKAARN CCCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001748208 557284545 /nfs/dbraw/zinc/28/45/45/557284545.db2.gz PYQLSWIGTWUYKO-UHFFFAOYSA-N 0 0 422.355 5.838 50 0 HKAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)OCc1ccccc1 ZINC000001748247 557284598 /nfs/dbraw/zinc/28/45/98/557284598.db2.gz XHYNIGHXVUMGFA-UHFFFAOYSA-N 0 0 420.848 5.236 50 0 HKAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)OC1CCCCC1 ZINC000001748248 557284568 /nfs/dbraw/zinc/28/45/68/557284568.db2.gz LASWWCGNCWVFRY-UHFFFAOYSA-N 0 0 412.869 5.368 50 0 biogenic HKAARN CC(C)CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001748309 560558410 /nfs/dbraw/zinc/55/84/10/560558410.db2.gz QOWKHSDVQRDYKP-OAHLLOKOSA-N 0 0 414.885 5.470 50 0 HKAARN CC(C)CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001748311 569051840 /nfs/dbraw/zinc/05/18/40/569051840.db2.gz QOWKHSDVQRDYKP-HNNXBMFYSA-N 0 0 414.885 5.470 50 0 HKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001748315 557284604 /nfs/dbraw/zinc/28/46/04/557284604.db2.gz VTUKPUJXIKJKGY-CQSZACIVSA-N 0 0 400.858 5.224 50 0 HKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001748318 557284619 /nfs/dbraw/zinc/28/46/19/557284619.db2.gz VTUKPUJXIKJKGY-AWEZNQCLSA-N 0 0 400.858 5.224 50 0 HKAARN COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001748325 569051892 /nfs/dbraw/zinc/05/18/92/569051892.db2.gz LIHQQCALUWGKGB-UHFFFAOYSA-N 0 0 412.363 6.280 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Oc2ccccc2)c1 ZINC000001748745 569051884 /nfs/dbraw/zinc/05/18/84/569051884.db2.gz NKXIBZULEPHKNL-UHFFFAOYSA-N 0 0 422.509 7.008 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001748798 569051867 /nfs/dbraw/zinc/05/18/67/569051867.db2.gz YDQKBZPHHYEQAV-AREMUKBSSA-N 0 0 411.932 6.894 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001748800 569051881 /nfs/dbraw/zinc/05/18/81/569051881.db2.gz YDQKBZPHHYEQAV-SANMLTNESA-N 0 0 411.932 6.894 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000001749713 569051885 /nfs/dbraw/zinc/05/18/85/569051885.db2.gz ZEXXBVVHXGVDNZ-QGZVFWFLSA-N 0 0 414.596 5.355 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000001749716 569051886 /nfs/dbraw/zinc/05/18/86/569051886.db2.gz ZEXXBVVHXGVDNZ-KRWDZBQOSA-N 0 0 414.596 5.355 50 0 HKAARN C[C@H]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000001750633 557284789 /nfs/dbraw/zinc/28/47/89/557284789.db2.gz FGQLNAOKBRFZBV-INIZCTEOSA-N 0 0 418.587 5.864 50 0 HKAARN C[C@@H]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000001750635 557284802 /nfs/dbraw/zinc/28/48/02/557284802.db2.gz FGQLNAOKBRFZBV-MRXNPFEDSA-N 0 0 418.587 5.864 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000001750995 569282371 /nfs/dbraw/zinc/28/23/71/569282371.db2.gz ASSKHRDAVFGWCL-VMPITWQZSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000001751011 557284828 /nfs/dbraw/zinc/28/48/28/557284828.db2.gz OAHDHWNTZZJNHH-CMDGGOBGSA-N 0 0 422.859 6.058 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000001751027 557284815 /nfs/dbraw/zinc/28/48/15/557284815.db2.gz JAKFLPHHVUCXGY-FPYGCLRLSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001751035 569051971 /nfs/dbraw/zinc/05/19/71/569051971.db2.gz HNAHBPWEICNZAK-XBXARRHUSA-N 0 0 423.752 6.346 50 0 HKAARN Brc1ccc2c(c1)c(-c1ccccc1)cc1nnc(-c3ccccc3)n12 ZINC000001751050 569051956 /nfs/dbraw/zinc/05/19/56/569051956.db2.gz PYHBCAJJEPGBOL-UHFFFAOYSA-N 0 0 400.279 5.979 50 0 HKAARN Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 ZINC000001751061 557284844 /nfs/dbraw/zinc/28/48/44/557284844.db2.gz NCRGYEAUSBLRJZ-CMDGGOBGSA-N 0 0 403.334 6.001 50 0 HKAARN Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000001751066 557284796 /nfs/dbraw/zinc/28/47/96/557284796.db2.gz XXTLJNAZVWAYBC-SOFGYWHQSA-N 0 0 403.334 6.001 50 0 HKAARN Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000001751072 557284851 /nfs/dbraw/zinc/28/48/51/557284851.db2.gz WPHPPLGSESBSRF-MDZDMXLPSA-N 0 0 402.441 5.713 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 ZINC000001751093 557284778 /nfs/dbraw/zinc/28/47/78/557284778.db2.gz CZQQWHXJQDWTTR-JXMROGBWSA-N 0 0 419.333 5.701 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000001751098 569051958 /nfs/dbraw/zinc/05/19/58/569051958.db2.gz PZALZSUSNDRVHA-WEVVVXLNSA-N 0 0 419.333 5.701 50 0 HKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001751115 569287868 /nfs/dbraw/zinc/28/78/68/569287868.db2.gz JFAXRKZMRCYBSD-SOFGYWHQSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001751123 569282504 /nfs/dbraw/zinc/28/25/04/569282504.db2.gz RIDIGKLGLRARSY-XBXARRHUSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001751151 557284817 /nfs/dbraw/zinc/28/48/17/557284817.db2.gz HFZSFSSKUXVJQR-CMDGGOBGSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001751157 557284781 /nfs/dbraw/zinc/28/47/81/557284781.db2.gz YEPSCLNKOPXFEY-RMKNXTFCSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001751190 557284793 /nfs/dbraw/zinc/28/47/93/557284793.db2.gz GVHJMPWGKGVRGM-FPYGCLRLSA-N 0 0 423.752 6.346 50 0 HKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001751212 557284820 /nfs/dbraw/zinc/28/48/20/557284820.db2.gz WFVTVZGKHMGTLM-RMKNXTFCSA-N 0 0 422.859 6.058 50 0 HKAARN Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000001751810 557285075 /nfs/dbraw/zinc/28/50/75/557285075.db2.gz BAFKRPOFIYPKBQ-UHFFFAOYSA-N 0 0 402.064 6.675 50 0 aggregator,in-vivo HKAARN O=C(Nc1ccccc1C(F)(F)F)OCCOc1ccc(Br)cc1 ZINC000001753668 557285061 /nfs/dbraw/zinc/28/50/61/557285061.db2.gz GVIBBBUSVLFTLL-UHFFFAOYSA-N 0 0 404.182 5.095 50 0 HKAARN O=C(Nc1c(Cl)cccc1Cl)OCCOc1ccc(Br)cc1 ZINC000001753764 569012592 /nfs/dbraw/zinc/01/25/92/569012592.db2.gz WNICUTAOANEXMW-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN COc1cc(OC)c(NC(=O)OCCSc2ccc(Cl)cc2)cc1Cl ZINC000001753804 557285081 /nfs/dbraw/zinc/28/50/81/557285081.db2.gz IEYUDXBVOMCKQW-UHFFFAOYSA-N 0 0 402.299 5.351 50 0 HKAARN C/C=C/c1ccc(OCCOC(=O)Nc2cc(Cl)c(OC)cc2OC)c(OC)c1 ZINC000001753811 557285028 /nfs/dbraw/zinc/28/50/28/557285028.db2.gz SHMZSTGUZLIPBX-AATRIKPKSA-N 0 0 421.877 5.026 50 0 HKAARN COc1ccc(C)cc1NC(=O)SCCSC(=O)Nc1cc(C)ccc1OC ZINC000001754054 569287941 /nfs/dbraw/zinc/28/79/41/569287941.db2.gz YRVGXYUCMVIKAJ-UHFFFAOYSA-N 0 0 420.556 5.551 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001755164 557285089 /nfs/dbraw/zinc/28/50/89/557285089.db2.gz FDDIQTJFBGCJGF-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 biogenic HKAARN CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000001755546 557285073 /nfs/dbraw/zinc/28/50/73/557285073.db2.gz NRKGBRUCSBZXCI-NRFANRHFSA-N 0 0 409.894 6.989 50 0 HKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000001755547 557285021 /nfs/dbraw/zinc/28/50/21/557285021.db2.gz NRKGBRUCSBZXCI-OAQYLSRUSA-N 0 0 409.894 6.989 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000001755812 568829284 /nfs/dbraw/zinc/82/92/84/568829284.db2.gz RHWSPALCHSGQOI-UHFFFAOYSA-N 0 0 418.949 6.309 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000001755824 557285107 /nfs/dbraw/zinc/28/51/07/557285107.db2.gz HOKUXFRXYFVABD-NRFANRHFSA-N 0 0 409.894 7.277 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000001755826 557285113 /nfs/dbraw/zinc/28/51/13/557285113.db2.gz HOKUXFRXYFVABD-OAQYLSRUSA-N 0 0 409.894 7.277 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1Cl ZINC000001756845 569052082 /nfs/dbraw/zinc/05/20/82/569052082.db2.gz RRXMMYWJDOIYDG-UHFFFAOYSA-N 0 0 411.288 5.449 50 0 HKAARN Cc1cccc(-n2c(=O)c3c(nc2SC(C)C)-c2ccccc2CC32CCCC2)c1 ZINC000001757267 569052038 /nfs/dbraw/zinc/05/20/38/569052038.db2.gz MLHCRZORAVAORE-UHFFFAOYSA-N 0 0 416.590 6.076 50 0 HKAARN CCCCN(C)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001757635 569052061 /nfs/dbraw/zinc/05/20/61/569052061.db2.gz WLSQJCYKMRNYTL-UHFFFAOYSA-N 0 0 422.554 5.587 50 0 HKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc(F)cc1 ZINC000001757646 132247671 /nfs/dbraw/zinc/24/76/71/132247671.db2.gz OAXCHQGYRKNBFP-UHFFFAOYSA-N 0 0 415.580 6.478 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000001759387 569052087 /nfs/dbraw/zinc/05/20/87/569052087.db2.gz DXLAIPXRZIZENW-UHFFFAOYSA-N 0 0 411.288 6.616 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1CCCC2 ZINC000001759757 568829580 /nfs/dbraw/zinc/82/95/80/568829580.db2.gz RSSVYRKWFQUCSJ-UHFFFAOYSA-N 0 0 405.592 6.534 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)cc1 ZINC000001759978 569052048 /nfs/dbraw/zinc/05/20/48/569052048.db2.gz PTMFNOUHIOZBMW-UHFFFAOYSA-N 0 0 413.546 5.903 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccccc1F ZINC000001760094 569052091 /nfs/dbraw/zinc/05/20/91/569052091.db2.gz XXPJEMOJQIEYBJ-UHFFFAOYSA-N 0 0 408.860 5.325 50 0 HKAARN Cc1ccccc1-n1c(=O)c2c(nc1SCc1ccccc1)sc1c2CCC1 ZINC000001760964 569052130 /nfs/dbraw/zinc/05/21/30/569052130.db2.gz MHOKQCSVHMDIHZ-UHFFFAOYSA-N 0 0 404.560 5.537 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 ZINC000001761263 557285421 /nfs/dbraw/zinc/28/54/21/557285421.db2.gz FWAKBTOSPQMBMW-UHFFFAOYSA-N 0 0 401.466 5.629 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cccc(C)c1 ZINC000001761317 132247649 /nfs/dbraw/zinc/24/76/49/132247649.db2.gz HZCARKFBDBYFJK-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(C)c(C)c1 ZINC000001761710 557285300 /nfs/dbraw/zinc/28/53/00/557285300.db2.gz JDZWSSLLNPIJBE-JOCHJYFZSA-N 0 0 409.942 5.946 50 0 HKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(C)c(C)c1 ZINC000001761711 557285311 /nfs/dbraw/zinc/28/53/11/557285311.db2.gz JDZWSSLLNPIJBE-QFIPXVFZSA-N 0 0 409.942 5.946 50 0 HKAARN CCc1nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c2c2c1CCCC2 ZINC000001762043 557285380 /nfs/dbraw/zinc/28/53/80/557285380.db2.gz IPZYNHSDTRDJEJ-UHFFFAOYSA-N 0 0 405.350 5.858 50 0 HKAARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000001762060 557285280 /nfs/dbraw/zinc/28/52/80/557285280.db2.gz OFXBJBACTMZJBK-IBGZPJMESA-N 0 0 416.285 7.147 50 0 HKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000001762062 557285374 /nfs/dbraw/zinc/28/53/74/557285374.db2.gz OFXBJBACTMZJBK-LJQANCHMSA-N 0 0 416.285 7.147 50 0 HKAARN CCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001762691 569052170 /nfs/dbraw/zinc/05/21/70/569052170.db2.gz JALZVBLKSABKCY-UHFFFAOYSA-N 0 0 415.628 6.497 50 0 HKAARN O=C1O[C@]2(C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 ZINC000001763440 569052123 /nfs/dbraw/zinc/05/21/23/569052123.db2.gz JQKXIOGQANFJIF-TVCBXBRYSA-N 0 0 422.528 6.016 50 0 biogenic HKAARN CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000001764063 569052158 /nfs/dbraw/zinc/05/21/58/569052158.db2.gz YTUZUWRJCYAXSQ-ZDUSSCGKSA-N 0 0 418.632 5.076 50 0 HKAARN CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000001764064 569052137 /nfs/dbraw/zinc/05/21/37/569052137.db2.gz YTUZUWRJCYAXSQ-CYBMUJFWSA-N 0 0 418.632 5.076 50 0 HKAARN O=C(c1ccccc1)[C@@H](S[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001764170 569287921 /nfs/dbraw/zinc/28/79/21/569287921.db2.gz RJCISMJZIFOITC-NSOVKSMOSA-N 0 0 422.549 6.968 50 0 HKAARN O=C(c1ccccc1)[C@H](S[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001764174 569287875 /nfs/dbraw/zinc/28/78/75/569287875.db2.gz RJCISMJZIFOITC-VSGBNLITSA-N 0 0 422.549 6.968 50 0 HKAARN Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl ZINC000001764612 557285284 /nfs/dbraw/zinc/28/52/84/557285284.db2.gz RTNLUFLDZOAXIC-UHFFFAOYSA-N 0 0 403.734 8.067 50 0 HKAARN Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000001764894 569052139 /nfs/dbraw/zinc/05/21/39/569052139.db2.gz VCDWWQGLLXFSHP-QGZVFWFLSA-N 0 0 414.596 5.353 50 0 HKAARN Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000001764896 568830029 /nfs/dbraw/zinc/83/00/29/568830029.db2.gz VCDWWQGLLXFSHP-KRWDZBQOSA-N 0 0 414.596 5.353 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(C)cc1 ZINC000001764909 132247600 /nfs/dbraw/zinc/24/76/00/132247600.db2.gz BCGIVHQKHBLDSG-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN Cc1ccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 ZINC000001766021 569052171 /nfs/dbraw/zinc/05/21/71/569052171.db2.gz KWJAIFCBLMJLDY-UHFFFAOYSA-N 0 0 416.908 5.021 50 0 HKAARN Cc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001766436 569052207 /nfs/dbraw/zinc/05/22/07/569052207.db2.gz HDSAWIHTTHYDSR-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000001766754 557285641 /nfs/dbraw/zinc/28/56/41/557285641.db2.gz CYPPNVQWMUVRTE-UHFFFAOYSA-N 0 0 418.375 6.196 50 0 HKAARN Cc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 ZINC000001767310 569052237 /nfs/dbraw/zinc/05/22/37/569052237.db2.gz MRWLNGCRMBMKLF-UHFFFAOYSA-N 0 0 406.327 5.877 50 0 HKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl ZINC000001768078 535430393 /nfs/dbraw/zinc/43/03/93/535430393.db2.gz ASLRTAWPEPWRHN-UHFFFAOYSA-N 0 0 411.954 6.796 50 0 HKAARN Cc1cc(C)cc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)c1 ZINC000001768234 557285565 /nfs/dbraw/zinc/28/55/65/557285565.db2.gz IYMVBWVHBOTHNJ-UHFFFAOYSA-N 0 0 406.865 6.435 50 0 HKAARN Cc1cc(C)cc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)c1 ZINC000001768237 557285633 /nfs/dbraw/zinc/28/56/33/557285633.db2.gz VPIGBCQIDUHJCE-UHFFFAOYSA-N 0 0 406.865 6.435 50 0 HKAARN Cc1cc(C)cc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)c1 ZINC000001768239 557285620 /nfs/dbraw/zinc/28/56/20/557285620.db2.gz ZSKTWVJZAHSQQY-UHFFFAOYSA-N 0 0 406.865 6.435 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001768329 557285572 /nfs/dbraw/zinc/28/55/72/557285572.db2.gz JHJHRLIYZOMWKL-UHFFFAOYSA-N 0 0 420.317 6.151 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 ZINC000001768537 569052273 /nfs/dbraw/zinc/05/22/73/569052273.db2.gz FDSXKNAJBXGQCO-MDWZMJQESA-N 0 0 421.924 6.196 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000001768541 557285568 /nfs/dbraw/zinc/28/55/68/557285568.db2.gz GIYHOUDLEOKZGR-UKTHLTGXSA-N 0 0 421.924 6.196 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000001768548 557285600 /nfs/dbraw/zinc/28/56/00/557285600.db2.gz DFNYQYQAEMDLPF-GXDHUFHOSA-N 0 0 421.924 6.196 50 0 HKAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001768801 557285674 /nfs/dbraw/zinc/28/56/74/557285674.db2.gz NWXGSHGXLYWTSI-UHFFFAOYSA-N 0 0 413.439 6.049 50 0 HKAARN CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)CC1 ZINC000001768804 132247698 /nfs/dbraw/zinc/24/76/98/132247698.db2.gz GELSFKULIMYRPA-UHFFFAOYSA-N 0 0 414.578 6.022 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000001769007 569052248 /nfs/dbraw/zinc/05/22/48/569052248.db2.gz LPDHXFHRGMPUKK-UHFFFAOYSA-N 0 0 421.466 7.357 50 0 HKAARN CCCCCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 ZINC000001769077 569052306 /nfs/dbraw/zinc/05/23/06/569052306.db2.gz PPDNAAFERDFEGD-UHFFFAOYSA-N 0 0 410.819 6.701 50 0 HKAARN CCCCCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769090 569052308 /nfs/dbraw/zinc/05/23/08/569052308.db2.gz HCGGWYQLQPRGJG-UHFFFAOYSA-N 0 0 420.427 6.790 50 0 HKAARN CCCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769097 557285689 /nfs/dbraw/zinc/28/56/89/557285689.db2.gz WOTDPWCMFFOPRB-UHFFFAOYSA-N 0 0 420.383 5.926 50 0 HKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001769102 557285654 /nfs/dbraw/zinc/28/56/54/557285654.db2.gz ADKNWRIERYHQEE-UHFFFAOYSA-N 0 0 422.355 5.756 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)c1 ZINC000001769915 568830163 /nfs/dbraw/zinc/83/01/63/568830163.db2.gz CLIDSMQOHDIGBQ-UHFFFAOYSA-N 0 0 400.931 5.493 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)cc1 ZINC000001769917 569052345 /nfs/dbraw/zinc/05/23/45/569052345.db2.gz HZDHEFCVAHNRRK-UHFFFAOYSA-N 0 0 400.931 5.493 50 0 HKAARN O=C(CCCOc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001769922 557285679 /nfs/dbraw/zinc/28/56/79/557285679.db2.gz BYRIPWFPXOCGOM-UHFFFAOYSA-N 0 0 404.894 5.324 50 0 HKAARN Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OCCC(C)C)ccc3c2=O)c1 ZINC000001769975 569052379 /nfs/dbraw/zinc/05/23/79/569052379.db2.gz OKIAHRKMCJOOEW-KRWDZBQOSA-N 0 0 410.466 5.250 50 0 biogenic HKAARN Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCCC(C)C)ccc3c2=O)c1 ZINC000001769976 569052331 /nfs/dbraw/zinc/05/23/31/569052331.db2.gz OKIAHRKMCJOOEW-QGZVFWFLSA-N 0 0 410.466 5.250 50 0 biogenic HKAARN Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000001769999 569052372 /nfs/dbraw/zinc/05/23/72/569052372.db2.gz PZHCDJCTEUKTKI-KRWDZBQOSA-N 0 0 422.477 5.537 50 0 biogenic HKAARN Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 ZINC000001770001 569052363 /nfs/dbraw/zinc/05/23/63/569052363.db2.gz PZHCDJCTEUKTKI-QGZVFWFLSA-N 0 0 422.477 5.537 50 0 biogenic HKAARN COC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1cccc3ccccc31)c2=O ZINC000001770093 568830187 /nfs/dbraw/zinc/83/01/87/568830187.db2.gz DYDXZQVXKLQALL-UHFFFAOYSA-N 0 0 414.335 5.777 50 0 HKAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770135 569052355 /nfs/dbraw/zinc/05/23/55/569052355.db2.gz SGUMMDLJTKJHHQ-MRXNPFEDSA-N 0 0 424.493 5.602 50 0 HKAARN CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770136 569052334 /nfs/dbraw/zinc/05/23/34/569052334.db2.gz SGUMMDLJTKJHHQ-INIZCTEOSA-N 0 0 424.493 5.602 50 0 HKAARN CCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770144 569052352 /nfs/dbraw/zinc/05/23/52/569052352.db2.gz XGXIEEURFKJVCX-UHFFFAOYSA-N 0 0 410.466 5.215 50 0 HKAARN CCCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770145 557285996 /nfs/dbraw/zinc/28/59/96/557285996.db2.gz NPJBSHGDWRDTOR-UHFFFAOYSA-N 0 0 424.493 5.605 50 0 HKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770170 569052347 /nfs/dbraw/zinc/05/23/47/569052347.db2.gz MFEKCRFXQGZIDF-HXUWFJFHSA-N 0 0 410.466 5.313 50 0 HKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770172 569052356 /nfs/dbraw/zinc/05/23/56/569052356.db2.gz MFEKCRFXQGZIDF-FQEVSTJZSA-N 0 0 410.466 5.313 50 0 HKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770178 569052340 /nfs/dbraw/zinc/05/23/40/569052340.db2.gz MDNPBSAXYDCIAI-QGZVFWFLSA-N 0 0 410.466 5.313 50 0 HKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770179 569052374 /nfs/dbraw/zinc/05/23/74/569052374.db2.gz MDNPBSAXYDCIAI-KRWDZBQOSA-N 0 0 410.466 5.313 50 0 HKAARN CCCCCOC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770231 569052377 /nfs/dbraw/zinc/05/23/77/569052377.db2.gz SDSHFJLUMOZHQY-UHFFFAOYSA-N 0 0 400.858 5.226 50 0 HKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770234 568831979 /nfs/dbraw/zinc/83/19/79/568831979.db2.gz DCHPARBQWIFMSK-LJQANCHMSA-N 0 0 400.858 5.224 50 0 HKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770235 569052380 /nfs/dbraw/zinc/05/23/80/569052380.db2.gz DCHPARBQWIFMSK-IBGZPJMESA-N 0 0 400.858 5.224 50 0 HKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770239 557285955 /nfs/dbraw/zinc/28/59/55/557285955.db2.gz LDIUYKNGVHUOCQ-CQSZACIVSA-N 0 0 400.858 5.224 50 0 HKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770241 557285876 /nfs/dbraw/zinc/28/58/76/557285876.db2.gz LDIUYKNGVHUOCQ-AWEZNQCLSA-N 0 0 400.858 5.224 50 0 HKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000001770319 557285974 /nfs/dbraw/zinc/28/59/74/557285974.db2.gz HCEXFNKNMRNXSR-WEVVVXLNSA-N 0 0 413.823 5.808 50 0 HKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001770420 568832035 /nfs/dbraw/zinc/83/20/35/568832035.db2.gz QEFDJNCDXFMBMP-UHFFFAOYSA-N 0 0 409.700 6.424 50 0 HKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001770427 569052404 /nfs/dbraw/zinc/05/24/04/569052404.db2.gz CLBMRAZXPNIRKI-UHFFFAOYSA-N 0 0 408.807 6.136 50 0 HKAARN CCOC(=O)c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000001770455 557285978 /nfs/dbraw/zinc/28/59/78/557285978.db2.gz WNMLXGHKHPIUMY-UHFFFAOYSA-N 0 0 403.869 5.871 50 0 HKAARN CCCOC(=O)c1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000001770459 557285902 /nfs/dbraw/zinc/28/59/02/557285902.db2.gz ZWXNGYMAACZMOK-UHFFFAOYSA-N 0 0 417.896 6.261 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1C(C)C ZINC000001770624 557285856 /nfs/dbraw/zinc/28/58/56/557285856.db2.gz ZGKONCZEKACUFF-UHFFFAOYSA-N 0 0 409.526 5.625 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CCCC2 ZINC000001770627 557285945 /nfs/dbraw/zinc/28/59/45/557285945.db2.gz HQNQFUBYUDXRMC-UHFFFAOYSA-N 0 0 415.555 5.253 50 0 HKAARN Cc1ccccc1OCCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001770741 569052384 /nfs/dbraw/zinc/05/23/84/569052384.db2.gz FPSYSCCTRZHARZ-UHFFFAOYSA-N 0 0 418.924 5.885 50 0 HKAARN CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC ZINC000001770804 557285949 /nfs/dbraw/zinc/28/59/49/557285949.db2.gz BOJUTAHHOPROGE-XYOKQWHBSA-N 0 0 408.523 5.568 50 0 HKAARN CCCCCOC(=O)COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770841 557285958 /nfs/dbraw/zinc/28/59/58/557285958.db2.gz FOQBLWODTQNNOL-UHFFFAOYSA-N 0 0 400.858 5.226 50 0 HKAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)OCc1ccccc1 ZINC000001770842 557285935 /nfs/dbraw/zinc/28/59/35/557285935.db2.gz VWWZSHXQHMEGDB-UHFFFAOYSA-N 0 0 420.848 5.236 50 0 biogenic HKAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)OC1CCCCC1 ZINC000001770845 557285970 /nfs/dbraw/zinc/28/59/70/557285970.db2.gz KHPSRUZQWUFVDH-UHFFFAOYSA-N 0 0 412.869 5.368 50 0 biogenic HKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770848 557285865 /nfs/dbraw/zinc/28/58/65/557285865.db2.gz AUAAFWBQGUGCOQ-LJQANCHMSA-N 0 0 400.858 5.224 50 0 HKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770850 557285962 /nfs/dbraw/zinc/28/59/62/557285962.db2.gz AUAAFWBQGUGCOQ-IBGZPJMESA-N 0 0 400.858 5.224 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1ccccc1Cl ZINC000001770859 569052394 /nfs/dbraw/zinc/05/23/94/569052394.db2.gz ARRYWPNNOMGPLH-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1cccc(Cl)c1 ZINC000001770861 569052399 /nfs/dbraw/zinc/05/23/99/569052399.db2.gz XJYZOPDDAVMUQD-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770871 569052409 /nfs/dbraw/zinc/05/24/09/569052409.db2.gz LHJCOHFESRJMHI-UHFFFAOYSA-N 0 0 406.821 5.341 50 0 biogenic HKAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2Cl)c3=O)cc1 ZINC000001770873 569052400 /nfs/dbraw/zinc/05/24/00/569052400.db2.gz RGFOIHCISCPIHJ-UHFFFAOYSA-N 0 0 406.821 5.341 50 0 biogenic HKAARN CCCCCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 ZINC000001770950 568832064 /nfs/dbraw/zinc/83/20/64/568832064.db2.gz JXKXUKRQSOHKCD-UHFFFAOYSA-N 0 0 410.819 6.701 50 0 HKAARN CC(C)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770960 569052429 /nfs/dbraw/zinc/05/24/29/569052429.db2.gz PGHHDLOEAOBDHX-UHFFFAOYSA-N 0 0 410.775 5.694 50 0 HKAARN CC(C)(C)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770962 569052401 /nfs/dbraw/zinc/05/24/01/569052401.db2.gz JHZZFBPDOFYVRR-UHFFFAOYSA-N 0 0 424.802 6.084 50 0 HKAARN CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000001770964 557285990 /nfs/dbraw/zinc/28/59/90/557285990.db2.gz JLJKMLPRMIMBQA-UHFFFAOYSA-N 0 0 412.747 5.668 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001770974 569052421 /nfs/dbraw/zinc/05/24/21/569052421.db2.gz DDCAESDSEFBKNJ-QFIPXVFZSA-N 0 0 419.458 6.353 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001770976 569052385 /nfs/dbraw/zinc/05/23/85/569052385.db2.gz DDCAESDSEFBKNJ-JOCHJYFZSA-N 0 0 419.458 6.353 50 0 HKAARN CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC ZINC000001771028 569052435 /nfs/dbraw/zinc/05/24/35/569052435.db2.gz KJERSCBMYRVMET-UKTHLTGXSA-N 0 0 422.550 5.876 50 0 HKAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000001771561 569052428 /nfs/dbraw/zinc/05/24/28/569052428.db2.gz LYOAURKKJCYKDE-JLHYYAGUSA-N 0 0 401.934 6.268 50 0 HKAARN Cc1ccc2sc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4)cc3)nc2c1 ZINC000001771585 569052427 /nfs/dbraw/zinc/05/24/27/569052427.db2.gz ZBLMJTRXLGNMTO-OAHLLOKOSA-N 0 0 422.937 6.331 50 0 HKAARN Cc1ccc2sc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4)cc3)nc2c1 ZINC000001771587 568832136 /nfs/dbraw/zinc/83/21/36/568832136.db2.gz ZBLMJTRXLGNMTO-HNNXBMFYSA-N 0 0 422.937 6.331 50 0 HKAARN CC(C)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771714 569052408 /nfs/dbraw/zinc/05/24/08/569052408.db2.gz UWCRTTKCVOQUPI-UHFFFAOYSA-N 0 0 400.430 5.814 50 0 HKAARN CC(C)(C)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771716 569052419 /nfs/dbraw/zinc/05/24/19/569052419.db2.gz XDBOHYLFKRSTQM-UHFFFAOYSA-N 0 0 414.457 6.204 50 0 HKAARN CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771718 557285844 /nfs/dbraw/zinc/28/58/44/557285844.db2.gz JHCQWZUQIBLKBB-UHFFFAOYSA-N 0 0 402.402 5.788 50 0 HKAARN CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000001771741 557285916 /nfs/dbraw/zinc/28/59/16/557285916.db2.gz PPJBTYGMXRGTJJ-UHFFFAOYSA-N 0 0 400.352 6.156 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000001771790 557285849 /nfs/dbraw/zinc/28/58/49/557285849.db2.gz HFXZLIWJKALGNQ-QGZVFWFLSA-N 0 0 414.596 5.437 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001771791 557285889 /nfs/dbraw/zinc/28/58/89/557285889.db2.gz HFXZLIWJKALGNQ-KRWDZBQOSA-N 0 0 414.596 5.437 50 0 HKAARN CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000001771885 569052414 /nfs/dbraw/zinc/05/24/14/569052414.db2.gz HZACOFWZKYPXFH-MHZLTWQESA-N 0 0 415.577 6.435 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000001771887 569052433 /nfs/dbraw/zinc/05/24/33/569052433.db2.gz HZACOFWZKYPXFH-HHHXNRCGSA-N 0 0 415.577 6.435 50 0 biogenic HKAARN CC(C)(C)c1ccccc1OC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000001771920 569052389 /nfs/dbraw/zinc/05/23/89/569052389.db2.gz SPONXTUIIXVZIZ-UHFFFAOYSA-N 0 0 401.256 5.072 50 0 HKAARN CC(C)(C)c1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000001771922 569052382 /nfs/dbraw/zinc/05/23/82/569052382.db2.gz JIUIWVDZGNSPCS-UHFFFAOYSA-N 0 0 401.256 5.072 50 0 HKAARN O=C(Oc1ccccc1-c1ccccc1)c1cc2cc(Br)ccc2oc1=O ZINC000001771924 569052393 /nfs/dbraw/zinc/05/23/93/569052393.db2.gz YNGDIDCZBXXNHH-UHFFFAOYSA-N 0 0 421.246 5.442 50 0 HKAARN CCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001772152 569052390 /nfs/dbraw/zinc/05/23/90/569052390.db2.gz NXZGFGXTDPYSRU-AREMUKBSSA-N 0 0 418.606 6.075 50 0 HKAARN CCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001772153 569052387 /nfs/dbraw/zinc/05/23/87/569052387.db2.gz NXZGFGXTDPYSRU-SANMLTNESA-N 0 0 418.606 6.075 50 0 HKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001772189 569052454 /nfs/dbraw/zinc/05/24/54/569052454.db2.gz MATVUZAXRLMNKN-UHFFFAOYSA-N 0 0 414.457 6.102 50 0 HKAARN CCCCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(OC)cc1)c2=O ZINC000001772204 557286258 /nfs/dbraw/zinc/28/62/58/557286258.db2.gz RXDZCVPOJIDXPR-UHFFFAOYSA-N 0 0 408.372 5.792 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c(C)c1 ZINC000001772256 557286270 /nfs/dbraw/zinc/28/62/70/557286270.db2.gz YPHUDSSGGYGLNW-UHFFFAOYSA-N 0 0 404.348 5.689 50 0 HKAARN Cc1ccc(COc2ccc3c(c2)occ(Oc2ccc4ccccc4c2)c3=O)cc1 ZINC000001772380 569052437 /nfs/dbraw/zinc/05/24/37/569052437.db2.gz DZTCXNBGHRXOIM-UHFFFAOYSA-N 0 0 408.453 6.626 50 0 HKAARN O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCCc3ccccc3)ccc21 ZINC000001772384 568832313 /nfs/dbraw/zinc/83/23/13/568832313.db2.gz HXAOWXYWLGRCEM-UHFFFAOYSA-N 0 0 408.453 6.360 50 0 HKAARN O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccc(F)cc3)ccc21 ZINC000001772386 569052458 /nfs/dbraw/zinc/05/24/58/569052458.db2.gz SJTNEXDHTTUVIN-UHFFFAOYSA-N 0 0 412.416 6.457 50 0 HKAARN Cc1cccc(COc2ccc3c(c2)occ(Oc2ccc4ccccc4c2)c3=O)c1 ZINC000001772387 569052452 /nfs/dbraw/zinc/05/24/52/569052452.db2.gz FAQVQLJAOGXSEA-UHFFFAOYSA-N 0 0 408.453 6.626 50 0 HKAARN CCCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772388 557286284 /nfs/dbraw/zinc/28/62/84/557286284.db2.gz MYACENXNWWQWEJ-UHFFFAOYSA-N 0 0 418.445 5.461 50 0 HKAARN Cc1ccccc1C(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772393 568832437 /nfs/dbraw/zinc/83/24/37/568832437.db2.gz FRNZSUDXYRMMGL-UHFFFAOYSA-N 0 0 422.436 6.266 50 0 HKAARN Cc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc4ccccc4c2)c3=O)c1 ZINC000001772395 569052451 /nfs/dbraw/zinc/05/24/51/569052451.db2.gz SGBLBZVIYQENJX-UHFFFAOYSA-N 0 0 422.436 6.266 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccc4ccccc4c2)c3=O)cc1 ZINC000001772396 569052443 /nfs/dbraw/zinc/05/24/43/569052443.db2.gz BTEZNJROTFZDEN-UHFFFAOYSA-N 0 0 422.436 6.266 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)C1CCCCC1 ZINC000001772419 557286280 /nfs/dbraw/zinc/28/62/80/557286280.db2.gz RQSHSOUDLUQGST-UHFFFAOYSA-N 0 0 414.457 6.224 50 0 HKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772420 557286294 /nfs/dbraw/zinc/28/62/94/557286294.db2.gz AKGHRJBIUGRDOT-UHFFFAOYSA-N 0 0 404.418 6.054 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Cl)c(Cl)c1)CO3 ZINC000001772422 569052475 /nfs/dbraw/zinc/05/24/75/569052475.db2.gz GSPGMVNBVDGFOM-UHFFFAOYSA-N 0 0 424.283 6.123 50 0 biogenic HKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CC[C@H](C)C2 ZINC000001772509 568832411 /nfs/dbraw/zinc/83/24/11/568832411.db2.gz SULNWMIVVFBJHS-HNNXBMFYSA-N 0 0 415.555 5.156 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CC[C@@H](C)C2 ZINC000001772510 569052468 /nfs/dbraw/zinc/05/24/68/569052468.db2.gz SULNWMIVVFBJHS-OAHLLOKOSA-N 0 0 415.555 5.156 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccccc1C ZINC000001772519 569052447 /nfs/dbraw/zinc/05/24/47/569052447.db2.gz WSUDXVSGNAULHQ-UHFFFAOYSA-N 0 0 423.534 5.698 50 0 HKAARN Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001772537 557286155 /nfs/dbraw/zinc/28/61/55/557286155.db2.gz LCOYAKXPKJASQR-UHFFFAOYSA-N 0 0 407.897 5.677 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCCOc4ccccc4C)cc3)sc2c1 ZINC000001772538 569052457 /nfs/dbraw/zinc/05/24/57/569052457.db2.gz FBUTYQLALDZJEC-UHFFFAOYSA-N 0 0 416.546 6.378 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001772967 569052483 /nfs/dbraw/zinc/05/24/83/569052483.db2.gz PMZCIZPZMAPAPB-UHFFFAOYSA-N 0 0 409.700 6.424 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cc(Cl)ccc1OC ZINC000001772978 568832322 /nfs/dbraw/zinc/83/23/22/568832322.db2.gz JQJSKPLAWKNVRP-UHFFFAOYSA-N 0 0 405.281 5.779 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001772981 568832380 /nfs/dbraw/zinc/83/23/80/568832380.db2.gz UUQRRIWHVXJNGV-UHFFFAOYSA-N 0 0 408.807 6.136 50 0 HKAARN CC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000001773025 557286110 /nfs/dbraw/zinc/28/61/10/557286110.db2.gz INLXLBWHSMGPKW-UHFFFAOYSA-N 0 0 408.288 6.550 50 0 HKAARN CN(C)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000001773027 569052461 /nfs/dbraw/zinc/05/24/61/569052461.db2.gz YEOOAMRMUZHOKD-UHFFFAOYSA-N 0 0 409.320 6.413 50 0 HKAARN COC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000001773028 557286144 /nfs/dbraw/zinc/28/61/44/557286144.db2.gz GNZNJIBEGNQSAU-UHFFFAOYSA-N 0 0 424.287 6.134 50 0 HKAARN CC(C)CN(CC(C)C)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773049 569052453 /nfs/dbraw/zinc/05/24/53/569052453.db2.gz LJAMLTILZCUEJL-UHFFFAOYSA-N 0 0 402.369 6.722 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000001773375 569052439 /nfs/dbraw/zinc/05/24/39/569052439.db2.gz SNCVCHLUHIOTRH-INIZCTEOSA-N 0 0 415.555 5.156 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000001773376 569052481 /nfs/dbraw/zinc/05/24/81/569052481.db2.gz SNCVCHLUHIOTRH-MRXNPFEDSA-N 0 0 415.555 5.156 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001773386 557286207 /nfs/dbraw/zinc/28/62/07/557286207.db2.gz ZVEXAXVOLWQQOR-UHFFFAOYSA-N 0 0 423.534 5.698 50 0 HKAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCC2 ZINC000001773509 569052444 /nfs/dbraw/zinc/05/24/44/569052444.db2.gz PQMMMTAXAHQUGV-UHFFFAOYSA-N 0 0 415.555 5.119 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000001773515 569052436 /nfs/dbraw/zinc/05/24/36/569052436.db2.gz HJLCWGJMYNPPOP-UHFFFAOYSA-N 0 0 417.571 5.637 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001773534 569052488 /nfs/dbraw/zinc/05/24/88/569052488.db2.gz KTQOUDLMYGEFAA-UHFFFAOYSA-N 0 0 408.567 6.214 50 0 HKAARN Cc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000001773538 557286149 /nfs/dbraw/zinc/28/61/49/557286149.db2.gz HQQZIQYGYNFHRH-UHFFFAOYSA-N 0 0 404.348 5.853 50 0 HKAARN COc1cc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl ZINC000001773539 557286242 /nfs/dbraw/zinc/28/62/42/557286242.db2.gz MRSNBGMUZNSYKK-UHFFFAOYSA-N 0 0 405.922 5.452 50 0 HKAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001773542 568832480 /nfs/dbraw/zinc/83/24/80/568832480.db2.gz YMXCZMUNEZANBY-UHFFFAOYSA-N 0 0 413.867 6.454 50 0 HKAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001773562 569052449 /nfs/dbraw/zinc/05/24/49/569052449.db2.gz FFDJOBHMGQXGJD-UHFFFAOYSA-N 0 0 413.867 6.454 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000001773619 569052442 /nfs/dbraw/zinc/05/24/42/569052442.db2.gz IKRRZFCBOACKLJ-UHFFFAOYSA-N 0 0 421.946 5.255 50 0 HKAARN Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000001773660 557286162 /nfs/dbraw/zinc/28/61/62/557286162.db2.gz BFSOBOVMWDCYGE-UHFFFAOYSA-N 0 0 400.931 5.878 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)cc1 ZINC000001773663 557286125 /nfs/dbraw/zinc/28/61/25/557286125.db2.gz 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ZINC000001774314 569052528 /nfs/dbraw/zinc/05/25/28/569052528.db2.gz ZWCOJNSKPIDOHY-UHFFFAOYSA-N 0 0 421.349 6.082 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000001774316 557286137 /nfs/dbraw/zinc/28/61/37/557286137.db2.gz VTBUTALMRJLAMR-UHFFFAOYSA-N 0 0 420.456 5.794 50 0 HKAARN CCCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC ZINC000001774339 568832664 /nfs/dbraw/zinc/83/26/64/568832664.db2.gz PJCDKEXYNNONJN-IUXPMGMMSA-N 0 0 421.827 5.150 50 0 HKAARN Cc1ccccc1-n1c(=O)c2cc3c(nc2nc1SCc1ccccc1)CCCC3 ZINC000001774591 569052503 /nfs/dbraw/zinc/05/25/03/569052503.db2.gz MYVXTDAXVUUFHH-UHFFFAOYSA-N 0 0 413.546 5.260 50 0 HKAARN Cc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)ccc2C)c3=O)c1 ZINC000001774623 569052445 /nfs/dbraw/zinc/05/24/45/569052445.db2.gz OBACGZAKRYNSRM-UHFFFAOYSA-N 0 0 400.430 5.730 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)ccc2C)c3=O)cc1 ZINC000001774624 569052460 /nfs/dbraw/zinc/05/24/60/569052460.db2.gz HTTNPXVVHUFNEC-UHFFFAOYSA-N 0 0 400.430 5.730 50 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/nfs/dbraw/zinc/05/25/01/569052501.db2.gz NZVDUTAILINWNB-KRWDZBQOSA-N 0 0 410.466 5.313 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)c1 ZINC000001774638 569052508 /nfs/dbraw/zinc/05/25/08/569052508.db2.gz KBUBOHVFSDMBSK-JLHYYAGUSA-N 0 0 412.441 5.821 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)c1 ZINC000001774641 568832663 /nfs/dbraw/zinc/83/26/63/568832663.db2.gz BUYQTFMJUNWSJJ-UHFFFAOYSA-N 0 0 420.848 6.075 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)c1 ZINC000001774643 569052492 /nfs/dbraw/zinc/05/24/92/569052492.db2.gz MDKIOPWZWPIYOG-UHFFFAOYSA-N 0 0 420.848 6.075 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)c1 ZINC000001774645 557286546 /nfs/dbraw/zinc/28/65/46/557286546.db2.gz PMJGBZMGQJXKRC-UHFFFAOYSA-N 0 0 420.848 6.075 50 0 HKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(Cl)c(Cl)c1 ZINC000001774713 569052517 /nfs/dbraw/zinc/05/25/17/569052517.db2.gz UGJRYSHJTUDCHA-UHFFFAOYSA-N 0 0 405.281 5.861 50 0 HKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001774720 569052524 /nfs/dbraw/zinc/05/25/24/569052524.db2.gz HDKWZAAFGYATIY-UHFFFAOYSA-N 0 0 404.388 5.573 50 0 HKAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(OCC)cc32)cc1 ZINC000001774722 569052511 /nfs/dbraw/zinc/05/25/11/569052511.db2.gz GDLVGIBHOWBVCG-UHFFFAOYSA-N 0 0 422.481 5.121 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000001774759 132247765 /nfs/dbraw/zinc/24/77/65/132247765.db2.gz XJEGRDZYHGVOFC-UHFFFAOYSA-N 0 0 403.526 5.762 50 0 HKAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc32)cc1 ZINC000001774761 568832695 /nfs/dbraw/zinc/83/26/95/568832695.db2.gz OCEPPJKTYMGWHA-UHFFFAOYSA-N 0 0 406.482 5.339 50 0 HKAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc32)cc1 ZINC000001774762 568832676 /nfs/dbraw/zinc/83/26/76/568832676.db2.gz QWNRFCYXYGCNDE-UHFFFAOYSA-N 0 0 420.509 5.729 50 0 HKAARN CCCCCCOc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775075 569052532 /nfs/dbraw/zinc/05/25/32/569052532.db2.gz ZAOACRGQQKFQBK-UHFFFAOYSA-N 0 0 400.902 6.815 50 0 HKAARN CCCOc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)c(OCCC)c1 ZINC000001775079 569052489 /nfs/dbraw/zinc/05/24/89/569052489.db2.gz RKOWXGQDYCMWBF-UHFFFAOYSA-N 0 0 404.506 6.193 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 ZINC000001775080 569052499 /nfs/dbraw/zinc/05/24/99/569052499.db2.gz LYFFXZTUYBWNJK-UHFFFAOYSA-N 0 0 406.865 6.380 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000001775082 569052520 /nfs/dbraw/zinc/05/25/20/569052520.db2.gz DKZCJAKCKHDBIS-UHFFFAOYSA-N 0 0 406.865 6.380 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000001775083 569052500 /nfs/dbraw/zinc/05/25/00/569052500.db2.gz YPZMPZUSIZWKBQ-UHFFFAOYSA-N 0 0 406.865 6.380 50 0 HKAARN Cc1cc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000001775084 569052504 /nfs/dbraw/zinc/05/25/04/569052504.db2.gz QHGWKDGNNNSBHQ-UHFFFAOYSA-N 0 0 406.865 6.435 50 0 HKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000001775087 557286479 /nfs/dbraw/zinc/28/64/79/557286479.db2.gz WTKWVQHPMKUXTJ-HXUWFJFHSA-N 0 0 410.466 5.258 50 0 HKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000001775088 557286526 /nfs/dbraw/zinc/28/65/26/557286526.db2.gz WTKWVQHPMKUXTJ-FQEVSTJZSA-N 0 0 410.466 5.258 50 0 HKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000001775089 569052507 /nfs/dbraw/zinc/05/25/07/569052507.db2.gz BTSDRCVNSZVALL-MRXNPFEDSA-N 0 0 410.466 5.258 50 0 HKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000001775091 569052529 /nfs/dbraw/zinc/05/25/29/569052529.db2.gz BTSDRCVNSZVALL-INIZCTEOSA-N 0 0 410.466 5.258 50 0 HKAARN CCc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 ZINC000001775095 569052491 /nfs/dbraw/zinc/05/24/91/569052491.db2.gz CZSIGYXNKJOYQI-XNTDXEJSSA-N 0 0 412.441 5.767 50 0 HKAARN O=c1c(Oc2ccccc2Cl)coc2cc(OCc3cccc(Cl)c3)ccc21 ZINC000001775098 569052535 /nfs/dbraw/zinc/05/25/35/569052535.db2.gz BUYKMVSXBSSGMT-UHFFFAOYSA-N 0 0 413.256 6.471 50 0 HKAARN O=c1c(Oc2ccccc2Cl)coc2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000001775100 569052509 /nfs/dbraw/zinc/05/25/09/569052509.db2.gz QHQTXMRQOIWMSQ-UHFFFAOYSA-N 0 0 413.256 6.471 50 0 HKAARN CCC(CC)C(=O)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775102 569052537 /nfs/dbraw/zinc/05/25/37/569052537.db2.gz ICCQEIISDIQXKC-UHFFFAOYSA-N 0 0 414.885 6.197 50 0 HKAARN CCCOC(=O)COc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775105 569052496 /nfs/dbraw/zinc/05/24/96/569052496.db2.gz ZRZOBQKFPYNYNK-UHFFFAOYSA-N 0 0 416.857 5.188 50 0 HKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775106 568832692 /nfs/dbraw/zinc/83/26/92/568832692.db2.gz WZNICRBDKVFHAS-UHFFFAOYSA-N 0 0 416.857 6.171 50 0 HKAARN CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775107 568832703 /nfs/dbraw/zinc/83/27/03/568832703.db2.gz QZXSWPWHWMGATR-QGZVFWFLSA-N 0 0 416.857 5.349 50 0 HKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775108 569052502 /nfs/dbraw/zinc/05/25/02/569052502.db2.gz QZXSWPWHWMGATR-KRWDZBQOSA-N 0 0 416.857 5.349 50 0 HKAARN O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 ZINC000001775110 569052533 /nfs/dbraw/zinc/05/25/33/569052533.db2.gz IKRKBPXGTSKURP-JLHYYAGUSA-N 0 0 418.832 5.858 50 0 HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 ZINC000001775114 568832660 /nfs/dbraw/zinc/83/26/60/568832660.db2.gz ZYGMAWPJDZFXTO-UHFFFAOYSA-N 0 0 420.848 6.020 50 0 HKAARN Cc1cc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000001775115 569052494 /nfs/dbraw/zinc/05/24/94/569052494.db2.gz JZXSKJKJJDDAIJ-UHFFFAOYSA-N 0 0 420.848 6.075 50 0 HKAARN Cc1ccc(COc2ccc3c(c2)occ(Oc2cc(C)c(Cl)c(C)c2)c3=O)cc1 ZINC000001775116 569052526 /nfs/dbraw/zinc/05/25/26/569052526.db2.gz DYJWSSWCEZZCHY-UHFFFAOYSA-N 0 0 420.892 6.743 50 0 HKAARN Cc1cc(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000001775117 569052510 /nfs/dbraw/zinc/05/25/10/569052510.db2.gz CHFVDVBHULBVNY-UHFFFAOYSA-N 0 0 420.892 6.477 50 0 HKAARN Cc1cccc(COc2ccc3c(c2)occ(Oc2cc(C)c(Cl)c(C)c2)c3=O)c1 ZINC000001775119 569052539 /nfs/dbraw/zinc/05/25/39/569052539.db2.gz SZAVFCNEDKMPQA-UHFFFAOYSA-N 0 0 420.892 6.743 50 0 HKAARN Cc1cc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc(C)c1Cl ZINC000001775121 569052540 /nfs/dbraw/zinc/05/25/40/569052540.db2.gz XGWCGWBULGRKNI-UHFFFAOYSA-N 0 0 424.855 6.574 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(Nc3ccc(C)c(Br)c3)n2)cc1 ZINC000001775391 569052514 /nfs/dbraw/zinc/05/25/14/569052514.db2.gz ODUBJKMWZSPHNK-UHFFFAOYSA-N 0 0 404.311 6.420 50 0 HKAARN CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)cc1 ZINC000001775415 568833027 /nfs/dbraw/zinc/83/30/27/568833027.db2.gz QFMQRJFWAAFYNC-UHFFFAOYSA-N 0 0 406.526 6.423 50 0 HKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000001775417 569052536 /nfs/dbraw/zinc/05/25/36/569052536.db2.gz IHHXVGQBBRHHKD-UHFFFAOYSA-N 0 0 412.489 6.043 50 0 HKAARN CCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OC)cc32)cc1 ZINC000001775442 569052493 /nfs/dbraw/zinc/05/24/93/569052493.db2.gz TUHGMMXWTMEWJE-UHFFFAOYSA-N 0 0 422.481 5.121 50 0 HKAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc4ccccc43)c2c1 ZINC000001775628 569052521 /nfs/dbraw/zinc/05/25/21/569052521.db2.gz RVLCMPJOYLBRRG-UHFFFAOYSA-N 0 0 414.461 5.485 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000001775635 569052541 /nfs/dbraw/zinc/05/25/41/569052541.db2.gz AGACANGDTYZSDP-OAHLLOKOSA-N 0 0 404.897 6.914 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000001775637 569052495 /nfs/dbraw/zinc/05/24/95/569052495.db2.gz AGACANGDTYZSDP-HNNXBMFYSA-N 0 0 404.897 6.914 50 0 HKAARN CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 ZINC000001775685 560558408 /nfs/dbraw/zinc/55/84/08/560558408.db2.gz KLIXNMBPIDCMLJ-UHFFFAOYSA-N 0 0 420.347 5.551 50 0 HKAARN CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000001775686 557286514 /nfs/dbraw/zinc/28/65/14/557286514.db2.gz MKRBPJPOKSXMOM-UHFFFAOYSA-N 0 0 403.522 5.817 50 0 HKAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000001775720 568833199 /nfs/dbraw/zinc/83/31/99/568833199.db2.gz XRLHUFSNEHJMAK-XNTDXEJSSA-N 0 0 423.306 6.134 50 0 HKAARN COc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2c1 ZINC000001775909 569052498 /nfs/dbraw/zinc/05/24/98/569052498.db2.gz WTIIZOPECKXHGT-UHFFFAOYSA-N 0 0 411.310 5.409 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1c(C)ccc(C)c1C ZINC000001775924 569052584 /nfs/dbraw/zinc/05/25/84/569052584.db2.gz CRVJYVIZYIVRMD-UHFFFAOYSA-N 0 0 423.534 5.535 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)ccc(C)c4C)cc3)sc2c1 ZINC000001775926 569052599 /nfs/dbraw/zinc/05/25/99/569052599.db2.gz VHJBDPVNOGTTQB-UHFFFAOYSA-N 0 0 416.546 6.214 50 0 aggregator HKAARN C[C@H](NC(=O)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001776602 557286531 /nfs/dbraw/zinc/28/65/31/557286531.db2.gz OXWWCLJHFTXRKD-DWACAAAGSA-N 0 0 405.541 6.480 50 0 HKAARN C[C@@H](NC(=O)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001776604 557286544 /nfs/dbraw/zinc/28/65/44/557286544.db2.gz OXWWCLJHFTXRKD-DFHRPNOPSA-N 0 0 405.541 6.480 50 0 HKAARN C[C@H](NC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001776605 557286466 /nfs/dbraw/zinc/28/64/66/557286466.db2.gz OXWWCLJHFTXRKD-RBISFHTESA-N 0 0 405.541 6.480 50 0 HKAARN C[C@@H](NC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001776607 557286483 /nfs/dbraw/zinc/28/64/83/557286483.db2.gz OXWWCLJHFTXRKD-SKCUWOTOSA-N 0 0 405.541 6.480 50 0 HKAARN CC(C)c1ccccc1Oc1coc2cc(OC(=O)C3CCCCC3)ccc2c1=O ZINC000001776879 568833634 /nfs/dbraw/zinc/83/36/34/568833634.db2.gz JSOQHMXVTZTIBW-UHFFFAOYSA-N 0 0 406.478 6.194 50 0 HKAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1 ZINC000001776892 568833628 /nfs/dbraw/zinc/83/36/28/568833628.db2.gz LFIMQZCDXXVVDB-UHFFFAOYSA-N 0 0 405.679 5.571 50 0 HKAARN Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000001776956 568833639 /nfs/dbraw/zinc/83/36/39/568833639.db2.gz BIDDGOVLFFHXAD-UHFFFAOYSA-N 0 0 417.555 5.973 50 0 HKAARN CC(C)(C)CC(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001777090 557286487 /nfs/dbraw/zinc/28/64/87/557286487.db2.gz VJKGJPVWJVHSBK-UHFFFAOYSA-N 0 0 402.446 6.080 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1C ZINC000001777091 568833870 /nfs/dbraw/zinc/83/38/70/568833870.db2.gz ZEUNHKHNSFTQDZ-UHFFFAOYSA-N 0 0 404.849 5.949 50 0 HKAARN O=C(CCc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001777092 568833824 /nfs/dbraw/zinc/83/38/24/568833824.db2.gz MROBQDIVALDCCO-UHFFFAOYSA-N 0 0 404.849 5.652 50 0 HKAARN CC(C)(C)CC(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1Cl)c2=O ZINC000001777093 569052586 /nfs/dbraw/zinc/05/25/86/569052586.db2.gz UHIPMXNSBRDFMT-UHFFFAOYSA-N 0 0 405.277 6.108 50 0 HKAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)c1 ZINC000001777094 569052550 /nfs/dbraw/zinc/05/25/50/569052550.db2.gz KMSCDVBDPAEDFZ-UHFFFAOYSA-N 0 0 406.821 5.341 50 0 biogenic HKAARN Cc1ccc(-c2c3c4c(sc3nc(C)c2C(=O)Nc2ccccc2)CCCC4)cc1 ZINC000001777184 569052605 /nfs/dbraw/zinc/05/26/05/569052605.db2.gz KMAKXJCILMZQIR-UHFFFAOYSA-N 0 0 412.558 6.711 50 0 HKAARN CCCCOc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000001777261 557286500 /nfs/dbraw/zinc/28/65/00/557286500.db2.gz IGJZLRFNPXNNDL-UHFFFAOYSA-N 0 0 409.942 6.934 50 0 HKAARN O=C(Oc1ccc(F)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000001777299 557286490 /nfs/dbraw/zinc/28/64/90/557286490.db2.gz BRUPERDKPQNJTJ-UHFFFAOYSA-N 0 0 422.253 6.023 50 0 HKAARN CC(C)c1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001777314 569052577 /nfs/dbraw/zinc/05/25/77/569052577.db2.gz BFBBDEFWKJJTDH-UHFFFAOYSA-N 0 0 418.924 5.919 50 0 HKAARN CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001777354 569052553 /nfs/dbraw/zinc/05/25/53/569052553.db2.gz LKYYRKZQFFMAOQ-BMRADRMJSA-N 0 0 415.533 6.051 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000001777360 557286511 /nfs/dbraw/zinc/28/65/11/557286511.db2.gz JTMMBYYMQWRKDI-UHFFFAOYSA-N 0 0 418.375 5.889 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000001777364 569052595 /nfs/dbraw/zinc/05/25/95/569052595.db2.gz BXMFUTGXICRXLW-UHFFFAOYSA-N 0 0 401.550 6.155 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000001777400 557286900 /nfs/dbraw/zinc/28/69/00/557286900.db2.gz NQTSUQFQSYXZGL-UHFFFAOYSA-N 0 0 410.739 5.726 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(CC)cc1 ZINC000001777665 557286916 /nfs/dbraw/zinc/28/69/16/557286916.db2.gz AZAPZBUOOCJESX-UHFFFAOYSA-N 0 0 409.507 5.172 50 0 HKAARN CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc32)cc1 ZINC000001777773 569052548 /nfs/dbraw/zinc/05/25/48/569052548.db2.gz FMBIFTSUGKPJCX-UHFFFAOYSA-N 0 0 406.526 6.423 50 0 HKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000001777775 569052559 /nfs/dbraw/zinc/05/25/59/569052559.db2.gz YMYVAPIPCLBDJZ-UHFFFAOYSA-N 0 0 412.489 6.043 50 0 HKAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc32)cc1 ZINC000001777782 569052551 /nfs/dbraw/zinc/05/25/51/569052551.db2.gz YWVVRPHRYYIVSQ-UHFFFAOYSA-N 0 0 406.482 5.420 50 0 HKAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)cc1 ZINC000001777812 569052546 /nfs/dbraw/zinc/05/25/46/569052546.db2.gz DCBBUDNVWAUBGD-UHFFFAOYSA-N 0 0 406.482 5.420 50 0 HKAARN CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(OC)cccc32)cc1 ZINC000001777835 569052587 /nfs/dbraw/zinc/05/25/87/569052587.db2.gz MAAVNAUQIKPBHT-UHFFFAOYSA-N 0 0 422.525 6.123 50 0 HKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000001777848 569052579 /nfs/dbraw/zinc/05/25/79/569052579.db2.gz FTESHYSEGWIYLF-UHFFFAOYSA-N 0 0 419.525 5.544 50 0 HKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1 ZINC000001778072 557286780 /nfs/dbraw/zinc/28/67/80/557286780.db2.gz VUZNADZOSUYHNA-IZZDOVSWSA-N 0 0 421.278 5.040 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(OC)cc3)n2)cc1 ZINC000001778283 569052574 /nfs/dbraw/zinc/05/25/74/569052574.db2.gz QEJCMKRWRGQAQB-UHFFFAOYSA-N 0 0 412.511 5.015 50 0 HKAARN COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000001778323 557286921 /nfs/dbraw/zinc/28/69/21/557286921.db2.gz QZPGNERSSMFJMJ-UHFFFAOYSA-N 0 0 423.896 5.377 50 0 HKAARN CCOc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(OCC)c1OCC ZINC000001778338 568834799 /nfs/dbraw/zinc/83/47/99/568834799.db2.gz FWDZROUHZGWAIR-UHFFFAOYSA-N 0 0 413.558 6.382 50 0 HKAARN COc1ccc(-c2csc3ncn(Cc4c(Cl)cccc4Cl)c(=O)c23)cc1 ZINC000001778445 557286802 /nfs/dbraw/zinc/28/68/02/557286802.db2.gz UBICVEIRXREAMM-UHFFFAOYSA-N 0 0 417.317 5.489 50 0 HKAARN C[C@H]1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c23)C1 ZINC000001778452 557286909 /nfs/dbraw/zinc/28/69/09/557286909.db2.gz JONGIJGGEOULEM-INIZCTEOSA-N 0 0 401.535 6.139 50 0 HKAARN C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c23)C1 ZINC000001778453 557286903 /nfs/dbraw/zinc/28/69/03/557286903.db2.gz JONGIJGGEOULEM-MRXNPFEDSA-N 0 0 401.535 6.139 50 0 HKAARN Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1C ZINC000001778486 557286913 /nfs/dbraw/zinc/28/69/13/557286913.db2.gz HQHBCDZBSCYYCH-INIZCTEOSA-N 0 0 410.539 5.179 50 0 HKAARN Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1C ZINC000001778488 557286884 /nfs/dbraw/zinc/28/68/84/557286884.db2.gz HQHBCDZBSCYYCH-MRXNPFEDSA-N 0 0 410.539 5.179 50 0 HKAARN Cc1ccc(-c2csc3ncn(Cc4c(Cl)cccc4Cl)c(=O)c23)cc1C ZINC000001778494 557286872 /nfs/dbraw/zinc/28/68/72/557286872.db2.gz GSDCQWUCWJCKRY-UHFFFAOYSA-N 0 0 415.345 6.097 50 0 HKAARN Cc1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 ZINC000001778510 557286865 /nfs/dbraw/zinc/28/68/65/557286865.db2.gz AMPAXODBKWVDQL-UHFFFAOYSA-N 0 0 411.324 5.244 50 0 HKAARN CCCCOC(=O)c1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000001778613 569052590 /nfs/dbraw/zinc/05/25/90/569052590.db2.gz SQPCIVCYFFDOPN-UHFFFAOYSA-N 0 0 400.276 5.093 50 0 HKAARN CCCCCOC(=O)c1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000001778614 568834795 /nfs/dbraw/zinc/83/47/95/568834795.db2.gz BENYJJDBYVSFHK-UHFFFAOYSA-N 0 0 414.303 5.483 50 0 HKAARN Brc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000001778619 569052576 /nfs/dbraw/zinc/05/25/76/569052576.db2.gz XFTUDEYATQLWOU-UHFFFAOYSA-N 0 0 406.283 5.715 50 0 HKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(OC(C)C)cc1 ZINC000001778799 569052604 /nfs/dbraw/zinc/05/26/04/569052604.db2.gz MJEBOKQCIHQPAV-UHFFFAOYSA-N 0 0 419.308 6.249 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001779001 569052581 /nfs/dbraw/zinc/05/25/81/569052581.db2.gz YAENVNMFJUPAJI-PKNBQFBNSA-N 0 0 406.309 5.313 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)CCCOc3cc(C)ccc3C)n2)cc1 ZINC000001779166 569052625 /nfs/dbraw/zinc/05/26/25/569052625.db2.gz VRTIMVGTLZQINI-UHFFFAOYSA-N 0 0 410.539 5.623 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1CC ZINC000001779171 569052620 /nfs/dbraw/zinc/05/26/20/569052620.db2.gz NXJCXPQNSBKORJ-UHFFFAOYSA-N 0 0 409.507 5.172 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001779636 569052643 /nfs/dbraw/zinc/05/26/43/569052643.db2.gz LMYBJEGTSBWTCH-UHFFFAOYSA-N 0 0 410.498 6.134 50 0 HKAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1F ZINC000001779739 557287214 /nfs/dbraw/zinc/28/72/14/557287214.db2.gz GMCFJJOPOZQPPV-SANMLTNESA-N 0 0 419.540 6.184 50 0 HKAARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1F ZINC000001779741 557287107 /nfs/dbraw/zinc/28/71/07/557287107.db2.gz GMCFJJOPOZQPPV-AREMUKBSSA-N 0 0 419.540 6.184 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Br ZINC000001779806 557287139 /nfs/dbraw/zinc/28/71/39/557287139.db2.gz NFUACVYVIKLLSP-ZRDIBKRKSA-N 0 0 416.359 6.356 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000001779812 557287238 /nfs/dbraw/zinc/28/72/38/557287238.db2.gz DSIMOIUOQSBFCF-UHFFFAOYSA-N 0 0 420.553 5.729 50 0 HKAARN Cc1cc(Cl)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000001779862 569052645 /nfs/dbraw/zinc/05/26/45/569052645.db2.gz JZFPKGGAVOKESL-UHFFFAOYSA-N 0 0 411.723 5.693 50 0 HKAARN CCCCc1ccc(Nc2ncnc3ccc(I)cc32)cc1 ZINC000001779976 568834896 /nfs/dbraw/zinc/83/48/96/568834896.db2.gz PGZMNLQUQGJNFI-UHFFFAOYSA-N 0 0 403.267 5.321 50 0 HKAARN CCCCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000001779981 569282486 /nfs/dbraw/zinc/28/24/86/569282486.db2.gz INEDHJHMXRASQJ-UHFFFAOYSA-N 0 0 403.906 5.403 50 0 HKAARN O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccccc3)ccc21 ZINC000001780028 569052644 /nfs/dbraw/zinc/05/26/44/569052644.db2.gz UTGGLSDNFGYXFN-UHFFFAOYSA-N 0 0 423.262 5.927 50 0 biogenic HKAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)C(C)(C)C)cc2oc1C(F)(F)F ZINC000001780040 569052628 /nfs/dbraw/zinc/05/26/28/569052628.db2.gz JKBUOMVOXSHNLU-UHFFFAOYSA-N 0 0 420.383 5.439 50 0 HKAARN COc1ccccc1-c1coc2cc(OC(=O)c3c(C)cc(C)cc3C)ccc2c1=O ZINC000001780167 557287152 /nfs/dbraw/zinc/28/71/52/557287152.db2.gz KIWJVDAGPPBUFX-UHFFFAOYSA-N 0 0 414.457 5.613 50 0 HKAARN CCCCCC1(CCCCC)SCC(=O)N1Nc1ncc(Cl)cc1Cl ZINC000001780565 569052693 /nfs/dbraw/zinc/05/26/93/569052693.db2.gz VDBMVRJTFYZBNI-UHFFFAOYSA-N 0 0 404.407 6.148 50 0 HKAARN O=C(Oc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccc(Cl)cc1 ZINC000001780712 569052681 /nfs/dbraw/zinc/05/26/81/569052681.db2.gz LFWNEBBNOCGMLA-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN COc1ccccc1-c1coc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O ZINC000001780845 569052761 /nfs/dbraw/zinc/05/27/61/569052761.db2.gz YHSVAOAQBLYLQU-UHFFFAOYSA-N 0 0 410.828 5.840 50 0 biogenic HKAARN CCCCCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000001781050 557287074 /nfs/dbraw/zinc/28/70/74/557287074.db2.gz VJRPKVXBZCLFLN-UHFFFAOYSA-N 0 0 403.906 5.321 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 ZINC000001781057 557287167 /nfs/dbraw/zinc/28/71/67/557287167.db2.gz FVOYOEQDIIGWFB-UHFFFAOYSA-N 0 0 409.526 5.625 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001781058 557287232 /nfs/dbraw/zinc/28/72/32/557287232.db2.gz XEIMHHPCQYHBIB-UHFFFAOYSA-N 0 0 422.308 5.500 50 0 HKAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001781077 557287228 /nfs/dbraw/zinc/28/72/28/557287228.db2.gz BNAGTKKBRCRPKY-UHFFFAOYSA-N 0 0 409.526 5.491 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CCC2 ZINC000001781103 569052733 /nfs/dbraw/zinc/05/27/33/569052733.db2.gz VCSGGLUBSIHSDP-UHFFFAOYSA-N 0 0 415.555 5.037 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1 ZINC000001781200 568835088 /nfs/dbraw/zinc/83/50/88/568835088.db2.gz ORCPAHYRAWLMNV-UHFFFAOYSA-N 0 0 420.464 6.831 50 0 HKAARN CCCCN(CC)c1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000001781485 569052779 /nfs/dbraw/zinc/05/27/79/569052779.db2.gz XTCLFZNMENIRGS-UHFFFAOYSA-N 0 0 412.603 5.670 50 0 HKAARN Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 ZINC000001781851 132247770 /nfs/dbraw/zinc/24/77/70/132247770.db2.gz FWPLXDCPKQVZKI-UHFFFAOYSA-N 0 0 406.942 5.338 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000001781894 557287202 /nfs/dbraw/zinc/28/72/02/557287202.db2.gz ZDCMRBDCBXZXRU-UHFFFAOYSA-N 0 0 406.482 5.216 50 0 HKAARN Cc1sc2ncn(Cc3c(F)cccc3Cl)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000001781935 557287192 /nfs/dbraw/zinc/28/71/92/557287192.db2.gz SJXDWXSEVBXYTD-UHFFFAOYSA-N 0 0 419.308 5.928 50 0 HKAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1cccc(Br)c1 ZINC000001782056 569052731 /nfs/dbraw/zinc/05/27/31/569052731.db2.gz KXNTUQFDRKOKHK-UHFFFAOYSA-N 0 0 421.246 5.442 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccccc1OC ZINC000001782367 569052789 /nfs/dbraw/zinc/05/27/89/569052789.db2.gz NHJRZBAJAHWJEV-BUHFOSPRSA-N 0 0 407.491 5.252 50 0 HKAARN COc1ccc(C2=C(Cl)C=C(c3ccc(C)cc3)c3ccccc3O2)cc1OC ZINC000001782829 557287464 /nfs/dbraw/zinc/28/74/64/557287464.db2.gz IVBWRYGQQLYQRI-UHFFFAOYSA-N 0 0 404.893 6.444 50 0 HKAARN CC(C)(C)c1cc(C(C)(C)C)c(NC(=S)NC(=O)c2ccccc2)c(C(C)(C)C)c1 ZINC000001782900 557287509 /nfs/dbraw/zinc/28/75/09/557287509.db2.gz HEFTZORMGMTRPG-UHFFFAOYSA-N 0 0 424.654 6.706 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 ZINC000001782915 569052915 /nfs/dbraw/zinc/05/29/15/569052915.db2.gz JSEQBIAYFOBMPO-UHFFFAOYSA-N 0 0 420.537 6.734 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C(c1ccccc1)c1ccccc1 ZINC000001782920 569052881 /nfs/dbraw/zinc/05/28/81/569052881.db2.gz RJPYIWJBTOSVGN-UHFFFAOYSA-N 0 0 420.537 6.734 50 0 HKAARN c1nc2sc3c(c2c(Sc2ncnc4sc5c(c42)CCCC5)n1)CCCC3 ZINC000001783002 568835219 /nfs/dbraw/zinc/83/52/19/568835219.db2.gz KYRFZUHBAIEIFC-UHFFFAOYSA-N 0 0 410.593 5.605 50 0 HKAARN CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1Nc1cccc(Cl)c1 ZINC000001783101 569052880 /nfs/dbraw/zinc/05/28/80/569052880.db2.gz SLFSGENZYZTMOC-UHFFFAOYSA-N 0 0 418.880 6.601 50 0 HKAARN CC(C)c1ccccc1OCC(=O)NC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000001783119 557287581 /nfs/dbraw/zinc/28/75/81/557287581.db2.gz OCAKHVLSDMHPMT-UHFFFAOYSA-N 0 0 412.599 5.949 50 0 HKAARN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1cc2ccccc2oc1=O ZINC000001783169 557287399 /nfs/dbraw/zinc/28/73/99/557287399.db2.gz XGXUNQZDDIUDLN-UHFFFAOYSA-N 0 0 421.246 5.442 50 0 HKAARN CCCCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 ZINC000001783202 569052849 /nfs/dbraw/zinc/05/28/49/569052849.db2.gz GQDLBJGFWRSECY-OAHLLOKOSA-N 0 0 406.320 5.424 50 0 HKAARN CCCCCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 ZINC000001783203 569052883 /nfs/dbraw/zinc/05/28/83/569052883.db2.gz GQDLBJGFWRSECY-HNNXBMFYSA-N 0 0 406.320 5.424 50 0 HKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/C=C/c1ccccc1 ZINC000001783231 569052873 /nfs/dbraw/zinc/05/28/73/569052873.db2.gz WMRCUAOBXZRUQK-JMQWPVDRSA-N 0 0 421.493 5.939 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)c(C)c1 ZINC000001783378 569052874 /nfs/dbraw/zinc/05/28/74/569052874.db2.gz FACGAFFSSDZFMP-UHFFFAOYSA-N 0 0 419.575 6.014 50 0 HKAARN CCc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001783569 569052913 /nfs/dbraw/zinc/05/29/13/569052913.db2.gz SVOSCRKHJMJQKG-UHFFFAOYSA-N 0 0 418.924 5.748 50 0 HKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000001784010 569052871 /nfs/dbraw/zinc/05/28/71/569052871.db2.gz QVBGMUXJZILKDA-MTJSOVHGSA-N 0 0 424.283 5.917 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000001784571 557287432 /nfs/dbraw/zinc/28/74/32/557287432.db2.gz OQCBWYGBQPWAIL-UHFFFAOYSA-N 0 0 400.569 5.109 50 0 HKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000001784627 569052949 /nfs/dbraw/zinc/05/29/49/569052949.db2.gz PTDHEJPQSPVPAJ-MRXNPFEDSA-N 0 0 412.624 6.478 50 0 HKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000001784629 569052936 /nfs/dbraw/zinc/05/29/36/569052936.db2.gz PTDHEJPQSPVPAJ-INIZCTEOSA-N 0 0 412.624 6.478 50 0 HKAARN Cc1cccc(-n2c3nnc(SCCC(C)C)n3c3sc4c(c3c2=O)CCC4)c1 ZINC000001784747 569052920 /nfs/dbraw/zinc/05/29/20/569052920.db2.gz MUZKBKQTOYXAQF-UHFFFAOYSA-N 0 0 424.595 5.030 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4c(Cl)cccc4Cl)c(=O)c23)C1 ZINC000001784986 569052917 /nfs/dbraw/zinc/05/29/17/569052917.db2.gz UOKCVFGTXYNPGD-NSHDSACASA-N 0 0 422.381 5.359 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4c(Cl)cccc4Cl)c(=O)c23)C1 ZINC000001784987 569052961 /nfs/dbraw/zinc/05/29/61/569052961.db2.gz UOKCVFGTXYNPGD-LLVKDONJSA-N 0 0 422.381 5.359 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 ZINC000001784996 569052938 /nfs/dbraw/zinc/05/29/38/569052938.db2.gz AUEAEKLDDGBVPG-LBPRGKRZSA-N 0 0 422.381 5.359 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 ZINC000001784997 569052923 /nfs/dbraw/zinc/05/29/23/569052923.db2.gz AUEAEKLDDGBVPG-GFCCVEGCSA-N 0 0 422.381 5.359 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4cccc5ccccc54)c(=O)c23)C1 ZINC000001784998 569052955 /nfs/dbraw/zinc/05/29/55/569052955.db2.gz HNGJIJGMZGZRDF-KRWDZBQOSA-N 0 0 403.551 5.206 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4cccc5ccccc54)c(=O)c23)C1 ZINC000001784999 568835278 /nfs/dbraw/zinc/83/52/78/568835278.db2.gz HNGJIJGMZGZRDF-QGZVFWFLSA-N 0 0 403.551 5.206 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 ZINC000001785002 568835262 /nfs/dbraw/zinc/83/52/62/568835262.db2.gz AYZXVPVKKSGANU-LBPRGKRZSA-N 0 0 422.381 5.359 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 ZINC000001785003 568835225 /nfs/dbraw/zinc/83/52/25/568835225.db2.gz AYZXVPVKKSGANU-GFCCVEGCSA-N 0 0 422.381 5.359 50 0 HKAARN O=c1c2cc(-c3ccccc3)sc2nnn1Cc1c(Cl)ccc(Cl)c1Cl ZINC000001785071 568835286 /nfs/dbraw/zinc/83/52/86/568835286.db2.gz WPKPHVPUKHRNGY-UHFFFAOYSA-N 0 0 422.724 5.529 50 0 HKAARN COc1cccc(-n2c(=O)c3c(nc2SC)-c2ccccc2CC32CCCCC2)c1 ZINC000001786136 557287503 /nfs/dbraw/zinc/28/75/03/557287503.db2.gz FURKQMUSVUSYBJ-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 biogenic HKAARN O=C1C(Cl)=C(Nc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786153 569053011 /nfs/dbraw/zinc/05/30/11/569053011.db2.gz ZIIXMLMKVKTRIR-UHFFFAOYSA-N 0 0 416.091 5.078 50 0 HKAARN O=C1C(Cl)=C(Nc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786192 569053014 /nfs/dbraw/zinc/05/30/14/569053014.db2.gz BFVKKKNZFPXDCS-UHFFFAOYSA-N 0 0 416.091 5.078 50 0 HKAARN CCCCc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000001786200 569052979 /nfs/dbraw/zinc/05/29/79/569052979.db2.gz KHJSYSODGCNWLH-UHFFFAOYSA-N 0 0 403.309 5.114 50 0 HKAARN CCCOc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 ZINC000001786357 569052976 /nfs/dbraw/zinc/05/29/76/569052976.db2.gz KOVXCZPDGGWNBN-UHFFFAOYSA-N 0 0 420.347 5.687 50 0 HKAARN CCCCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000001787156 557287773 /nfs/dbraw/zinc/28/77/73/557287773.db2.gz VYQGBELCEXOGLW-UHFFFAOYSA-N 0 0 422.638 6.361 50 0 biogenic HKAARN Cc1sc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)nc1-c1ccccc1 ZINC000001787157 569053066 /nfs/dbraw/zinc/05/30/66/569053066.db2.gz BTXJNEKLYGDIDW-UHFFFAOYSA-N 0 0 414.958 6.186 50 0 HKAARN CCCCN(CCCC)C(=S)SCC(=O)n1c2ccccc2c2ccccc21 ZINC000001787158 569053061 /nfs/dbraw/zinc/05/30/61/569053061.db2.gz MUBXQDXKYHAJEQ-UHFFFAOYSA-N 0 0 412.624 6.355 50 0 HKAARN CCCc1ccc(OCCCC(=O)Nc2ccc(I)cc2)cc1 ZINC000001787222 569053099 /nfs/dbraw/zinc/05/30/99/569053099.db2.gz IMHSPZPWRXCMJU-UHFFFAOYSA-N 0 0 423.294 5.041 50 0 HKAARN CCCc1ccc(OCCCC(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)cc1 ZINC000001787225 569053106 /nfs/dbraw/zinc/05/31/06/569053106.db2.gz RJVWIKMFELWDII-UHFFFAOYSA-N 0 0 424.566 5.959 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 ZINC000001787267 569277691 /nfs/dbraw/zinc/27/76/91/569277691.db2.gz VWPDTNMNAVHFFN-MRXNPFEDSA-N 0 0 410.311 5.831 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 ZINC000001787268 569277684 /nfs/dbraw/zinc/27/76/84/569277684.db2.gz VWPDTNMNAVHFFN-INIZCTEOSA-N 0 0 410.311 5.831 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000001787479 569053074 /nfs/dbraw/zinc/05/30/74/569053074.db2.gz RDBKOSDCQIOHMD-XNTDXEJSSA-N 0 0 410.469 6.202 50 0 HKAARN CCCCCCOc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001787484 568835259 /nfs/dbraw/zinc/83/52/59/568835259.db2.gz RBLQLZFNRRRYJK-UHFFFAOYSA-N 0 0 417.299 6.307 50 0 HKAARN COc1ccc(-c2csc3ncn(Cc4ccc(C(C)C)cc4)c(=O)c23)cc1OC ZINC000001787574 569053042 /nfs/dbraw/zinc/05/30/42/569053042.db2.gz OPNOACLRAIVHGR-UHFFFAOYSA-N 0 0 420.534 5.314 50 0 HKAARN Cc1sc2ncnc(SCC(=O)c3ccc(Cl)cc3)c2c1-c1ccccc1 ZINC000001787576 569053030 /nfs/dbraw/zinc/05/30/30/569053030.db2.gz BILBPBZUGUNPRN-UHFFFAOYSA-N 0 0 410.951 6.295 50 0 HKAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000001787724 557288104 /nfs/dbraw/zinc/28/81/04/557288104.db2.gz BLMYFOFPYMZFLH-UHFFFAOYSA-N 0 0 412.873 5.513 50 0 HKAARN CCCCOC(=O)c1cccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000001787725 557288093 /nfs/dbraw/zinc/28/80/93/557288093.db2.gz NPSJUDJEIZOATF-UHFFFAOYSA-N 0 0 412.873 5.513 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCCCCCCCC1 ZINC000001787728 557288011 /nfs/dbraw/zinc/28/80/11/557288011.db2.gz FTNFPJNBCVUGOO-UHFFFAOYSA-N 0 0 402.966 6.707 50 0 HKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(C)cc3)ccc2oc1-c1ccccc1 ZINC000001787847 569053055 /nfs/dbraw/zinc/05/30/55/569053055.db2.gz IJGZRMJULRSPIC-UHFFFAOYSA-N 0 0 400.430 5.804 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1CCCC2 ZINC000001788046 569053107 /nfs/dbraw/zinc/05/31/07/569053107.db2.gz UOFUSXXDTKASJE-UHFFFAOYSA-N 0 0 419.619 6.577 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1CCCC2 ZINC000001788357 569053101 /nfs/dbraw/zinc/05/31/01/569053101.db2.gz RXDATRFWYALGRL-UHFFFAOYSA-N 0 0 419.619 6.609 50 0 HKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000001788373 569053091 /nfs/dbraw/zinc/05/30/91/569053091.db2.gz FISSLIDLIKXKLK-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000001788471 569053131 /nfs/dbraw/zinc/05/31/31/569053131.db2.gz BXIZMXSVFMPIKY-YYADALCUSA-N 0 0 403.547 7.026 50 0 biogenic HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccccc1F ZINC000001789271 557288126 /nfs/dbraw/zinc/28/81/26/557288126.db2.gz OULNGBFMXOQNPK-UHFFFAOYSA-N 0 0 422.887 5.715 50 0 HKAARN O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccc2ccccc2n1 ZINC000001789541 569053125 /nfs/dbraw/zinc/05/31/25/569053125.db2.gz CKJOARUFWSRKRU-RMKNXTFCSA-N 0 0 405.453 6.100 50 0 HKAARN Cc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001789625 569053110 /nfs/dbraw/zinc/05/31/10/569053110.db2.gz WUUQGXWFLLCSID-UHFFFAOYSA-N 0 0 418.924 5.803 50 0 HKAARN Clc1ccc(Oc2nc3ccccc3n3c(-c4ccc(Cl)cc4)nnc23)cc1 ZINC000001789627 569053104 /nfs/dbraw/zinc/05/31/04/569053104.db2.gz HAMFNOGXQGPOKB-UHFFFAOYSA-N 0 0 407.260 6.044 50 0 HKAARN Clc1ccc2nc(N(Cc3ccccc3)c3ccccc3)nc(-c3ccccc3)c2c1 ZINC000001789664 569053100 /nfs/dbraw/zinc/05/31/00/569053100.db2.gz WEIDJPHPLCKWQI-UHFFFAOYSA-N 0 0 421.931 7.289 50 0 HKAARN CC(C)(C)c1ccc(Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 ZINC000001789836 569053088 /nfs/dbraw/zinc/05/30/88/569053088.db2.gz AJIDGMWHHBZDLI-UHFFFAOYSA-N 0 0 424.569 6.624 50 0 HKAARN CC(C)(C)c1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000001789840 569053129 /nfs/dbraw/zinc/05/31/29/569053129.db2.gz HPCAWGHWMNTJSD-UHFFFAOYSA-N 0 0 408.954 6.124 50 0 HKAARN O=c1c2c(-c3ccc4ccccc4c3)csc2ncn1Cc1ccc(Cl)cc1 ZINC000001789842 569277670 /nfs/dbraw/zinc/27/76/70/569277670.db2.gz URFQAXBOJKUYIH-UHFFFAOYSA-N 0 0 402.906 5.980 50 0 HKAARN CCc1ccc(-c2csc3ncn(Cc4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 ZINC000001789844 569053079 /nfs/dbraw/zinc/05/30/79/569053079.db2.gz XXXWCABOYNGHBU-UHFFFAOYSA-N 0 0 402.563 6.033 50 0 HKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccco1)c1ccc(Cl)cc1Cl ZINC000001789878 569053103 /nfs/dbraw/zinc/05/31/03/569053103.db2.gz FPACJZRESHCZLA-UHFFFAOYSA-N 0 0 401.201 5.579 50 0 HKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000001789893 569277651 /nfs/dbraw/zinc/27/76/51/569277651.db2.gz LNSCKGUPWNJQDW-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 aggregator HKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cc2ccccc2o1 ZINC000001790012 557288019 /nfs/dbraw/zinc/28/80/19/557288019.db2.gz ACTCDUPXTDVWHY-UHFFFAOYSA-N 0 0 423.255 6.800 50 0 HKAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001790016 569282498 /nfs/dbraw/zinc/28/24/98/569282498.db2.gz ONMIPROXMUMFEL-UHFFFAOYSA-N 0 0 419.981 6.805 50 0 HKAARN O=c1c2ccc(OCc3cccc(Br)c3)cc2occ1-c1ccccc1 ZINC000001790937 569053182 /nfs/dbraw/zinc/05/31/82/569053182.db2.gz LFDLHXMSWXTJPY-UHFFFAOYSA-N 0 0 407.263 5.802 50 0 HKAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000001790977 569053183 /nfs/dbraw/zinc/05/31/83/569053183.db2.gz UYOWIZWKWSXQHL-MHZLTWQESA-N 0 0 401.550 6.045 50 0 biogenic HKAARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000001790979 569053144 /nfs/dbraw/zinc/05/31/44/569053144.db2.gz UYOWIZWKWSXQHL-HHHXNRCGSA-N 0 0 401.550 6.045 50 0 biogenic HKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)C(c1ccccc1)c1ccccc1 ZINC000001791030 557288268 /nfs/dbraw/zinc/28/82/68/557288268.db2.gz JDGPFPQRUQXZMZ-UHFFFAOYSA-N 0 0 404.922 6.234 50 0 HKAARN CCOc1ccccc1-c1csc(NC(=O)c2ccccc2Br)n1 ZINC000001791069 568835379 /nfs/dbraw/zinc/83/53/79/568835379.db2.gz CEEYAIUKCCHMAO-UHFFFAOYSA-N 0 0 403.301 5.224 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1-c1ccc(Cl)cc1 ZINC000001791146 569277734 /nfs/dbraw/zinc/27/77/34/569277734.db2.gz HCDWDVCNOZAHLN-UHFFFAOYSA-N 0 0 417.889 5.945 50 0 HKAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001791321 569053176 /nfs/dbraw/zinc/05/31/76/569053176.db2.gz LEYMRTDRLQYTIZ-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN COC(=O)c1ccc(COc2c(=O)c3ccccc3oc2-c2ccc(C)cc2)cc1 ZINC000001791327 569053139 /nfs/dbraw/zinc/05/31/39/569053139.db2.gz XUKRNAIKBYNXHT-UHFFFAOYSA-N 0 0 400.430 5.134 50 0 HKAARN Cc1ccc(OCCCOc2c(=O)c3ccccc3oc2-c2ccc(C)cc2)cc1 ZINC000001791334 569053151 /nfs/dbraw/zinc/05/31/51/569053151.db2.gz ZLVBSAJFGOLYGV-UHFFFAOYSA-N 0 0 400.474 5.925 50 0 HKAARN COC(=O)c1ccc(COc2c(=O)c3ccccc3oc2-c2ccc(Cl)cc2)cc1 ZINC000001791340 557288257 /nfs/dbraw/zinc/28/82/57/557288257.db2.gz WOVRXVIINCCRAO-UHFFFAOYSA-N 0 0 420.848 5.479 50 0 HKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCCCOc2cccc(C)c2)cc1 ZINC000001791356 557288399 /nfs/dbraw/zinc/28/83/99/557288399.db2.gz WDDDTSGYYCGVAV-UHFFFAOYSA-N 0 0 416.473 5.625 50 0 HKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2c(F)cccc2Cl)cc1 ZINC000001791363 557288286 /nfs/dbraw/zinc/28/82/86/557288286.db2.gz MGQTYCVQRDGLTM-UHFFFAOYSA-N 0 0 410.828 5.840 50 0 HKAARN CCCc1ccc(OCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 ZINC000001791434 569053181 /nfs/dbraw/zinc/05/31/81/569053181.db2.gz VTEINWQXPKAURQ-UHFFFAOYSA-N 0 0 423.534 5.480 50 0 HKAARN Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)N2CCCCC2)cc1 ZINC000001791524 569053161 /nfs/dbraw/zinc/05/31/61/569053161.db2.gz IPVSTGDGPLDECN-UHFFFAOYSA-N 0 0 404.535 5.602 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1ccc(OCCCOc2cccc(C)c2)cc1 ZINC000001791554 569277736 /nfs/dbraw/zinc/27/77/36/569277736.db2.gz WHXDJPDCFFVRRX-UHFFFAOYSA-N 0 0 405.494 5.412 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCOc2ccccc2)cc1 ZINC000001791654 569277710 /nfs/dbraw/zinc/27/77/10/569277710.db2.gz AXQCSVQTRMFXOM-UHFFFAOYSA-N 0 0 401.384 5.416 50 0 HKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\CCc3ccc(OC)c(OC)c3)c2c1 ZINC000001791701 569053217 /nfs/dbraw/zinc/05/32/17/569053217.db2.gz LWZSCAICTNCCEE-WEMUOSSPSA-N 0 0 413.517 5.823 50 0 HKAARN O=C(Oc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1ccccc1Cl ZINC000001791873 560583264 /nfs/dbraw/zinc/58/32/64/560583264.db2.gz HJABMMRIOZSVEM-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN Brc1ccc2oc(-c3ccccc3)c/c(=N\CCc3ccccc3)c2c1 ZINC000001791875 569053236 /nfs/dbraw/zinc/05/32/36/569053236.db2.gz YLSCGCVHUZVCKS-NJNXFGOHSA-N 0 0 404.307 6.006 50 0 HKAARN CCCCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(CCCC)cc2)cc1 ZINC000001791928 569053205 /nfs/dbraw/zinc/05/32/05/569053205.db2.gz GYBBUTFDXVXJEY-UHFFFAOYSA-N 0 0 424.592 7.802 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2nc3c(ccc(C)c3C)s2)ccc1OCCC(C)C ZINC000001792033 569053206 /nfs/dbraw/zinc/05/32/06/569053206.db2.gz MWZRXNIPXVPHQG-DHZHZOJOSA-N 0 0 424.566 5.999 50 0 HKAARN C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O ZINC000001792228 569053218 /nfs/dbraw/zinc/05/32/18/569053218.db2.gz TZKXAMYRKPQWHT-INIZCTEOSA-N 0 0 414.530 5.448 50 0 HKAARN C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O ZINC000001792229 569053235 /nfs/dbraw/zinc/05/32/35/569053235.db2.gz TZKXAMYRKPQWHT-MRXNPFEDSA-N 0 0 414.530 5.448 50 0 HKAARN Cc1cc(-c2ccc(OCCC(C)C)cc2)cc(-c2ccc(OCCC(C)C)cc2)n1 ZINC000001792423 569053226 /nfs/dbraw/zinc/05/32/26/569053226.db2.gz KDEQOEFCPYJKCU-UHFFFAOYSA-N 0 0 417.593 7.574 50 0 HKAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)N(c1ccccc1)c1ccccc1 ZINC000001792714 569053211 /nfs/dbraw/zinc/05/32/11/569053211.db2.gz YSCPYOSJAWKDMU-UHFFFAOYSA-N 0 0 409.272 6.879 50 0 HKAARN O=C(Oc1ccc2ccccc2c1Br)N(c1ccccc1)c1ccccc1 ZINC000001792716 569053233 /nfs/dbraw/zinc/05/32/33/569053233.db2.gz DYDLMNOGGXAPSS-UHFFFAOYSA-N 0 0 418.290 6.939 50 0 HKAARN Cc1ccc(-c2c3c(nc4sc(C(=O)NCc5ccccc5)c(N)c42)CCC3)cc1 ZINC000001792725 569053241 /nfs/dbraw/zinc/05/32/41/569053241.db2.gz OHBZVOHGBLTBSR-UHFFFAOYSA-N 0 0 413.546 5.273 50 0 HKAARN CC1(C)C[C@@H](n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)CCO1 ZINC000001792775 557288365 /nfs/dbraw/zinc/28/83/65/557288365.db2.gz DSAVXXSXNFGQRS-KRWDZBQOSA-N 0 0 410.583 5.461 50 0 HKAARN CC1(C)C[C@H](n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)CCO1 ZINC000001792777 557288330 /nfs/dbraw/zinc/28/83/30/557288330.db2.gz DSAVXXSXNFGQRS-QGZVFWFLSA-N 0 0 410.583 5.461 50 0 HKAARN O=C(NC(NC(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000001792830 569053237 /nfs/dbraw/zinc/05/32/37/569053237.db2.gz ZRJGGWLCQXVGMA-UHFFFAOYSA-N 0 0 422.484 5.338 50 0 HKAARN Cc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001793518 569053280 /nfs/dbraw/zinc/05/32/80/569053280.db2.gz BCQNMURBZVOUJO-QGZVFWFLSA-N 0 0 414.596 5.353 50 0 HKAARN Cc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001793520 569053269 /nfs/dbraw/zinc/05/32/69/569053269.db2.gz BCQNMURBZVOUJO-KRWDZBQOSA-N 0 0 414.596 5.353 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccccc2)cc1 ZINC000001793999 557288341 /nfs/dbraw/zinc/28/83/41/557288341.db2.gz YQTOWHWYAIYIKV-UHFFFAOYSA-N 0 0 422.481 5.234 50 0 HKAARN COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001794278 557288304 /nfs/dbraw/zinc/28/83/04/557288304.db2.gz OCNMEHXUHIFFNX-UHFFFAOYSA-N 0 0 411.910 5.554 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OCC ZINC000001794295 557288271 /nfs/dbraw/zinc/28/82/71/557288271.db2.gz LJFWNLOIAKYPEK-UHFFFAOYSA-N 0 0 423.896 5.621 50 0 HKAARN CCCCc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000001794303 557288336 /nfs/dbraw/zinc/28/83/36/557288336.db2.gz CRDXDQHSVQYHMR-UHFFFAOYSA-N 0 0 403.309 6.552 50 0 HKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Nc4ccccc4)cc3)sc2c1 ZINC000001794839 557288675 /nfs/dbraw/zinc/28/86/75/557288675.db2.gz MNQJJKWYSLBHQQ-UHFFFAOYSA-N 0 0 408.910 6.559 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001794888 569053204 /nfs/dbraw/zinc/05/32/04/569053204.db2.gz MJFJMWUUXRINAW-MKMNVTDBSA-N 0 0 400.503 5.932 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCc1ccccc1-2 ZINC000001795664 568835678 /nfs/dbraw/zinc/83/56/78/568835678.db2.gz MHHKIZQIOJHGEG-UHFFFAOYSA-N 0 0 411.910 5.596 50 0 aggregator HKAARN CCCCc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)o1 ZINC000001796376 569053275 /nfs/dbraw/zinc/05/32/75/569053275.db2.gz ZEKTZMQJKOTRJE-UHFFFAOYSA-N 0 0 404.919 5.116 50 0 HKAARN Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Sc2ccccc2)cc1 ZINC000001796387 569053229 /nfs/dbraw/zinc/05/32/29/569053229.db2.gz NYEGDEVVSVPPNK-UHFFFAOYSA-N 0 0 402.441 6.809 50 0 HKAARN CC(C)Oc1ccc(-c2nc3sc(-c4ccc(OC(C)C)cc4)nc3s2)cc1 ZINC000001796567 569053294 /nfs/dbraw/zinc/05/32/94/569053294.db2.gz GDTUBEMUAQCIBW-UHFFFAOYSA-N 0 0 410.564 6.661 50 0 HKAARN CC(C)(C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c(Cl)c1 ZINC000001796597 569053289 /nfs/dbraw/zinc/05/32/89/569053289.db2.gz WERUGNLSNCIGFJ-UHFFFAOYSA-N 0 0 404.897 6.746 50 0 HKAARN CCOC(=O)c1ccc(N[C@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)cc1 ZINC000001796973 569053249 /nfs/dbraw/zinc/05/32/49/569053249.db2.gz AUSNZUBYICPJHQ-VWLOTQADSA-N 0 0 414.505 5.863 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)cc1 ZINC000001796975 568835770 /nfs/dbraw/zinc/83/57/70/568835770.db2.gz AUSNZUBYICPJHQ-RUZDIDTESA-N 0 0 414.505 5.863 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1)c1ccccc1 ZINC000001797115 557288712 /nfs/dbraw/zinc/28/87/12/557288712.db2.gz SQTFQHUCLFHFEC-UHFFFAOYSA-N 0 0 401.384 5.416 50 0 HKAARN O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cc2ccccc2oc1=O ZINC000001797147 557288751 /nfs/dbraw/zinc/28/87/51/557288751.db2.gz LUDIGWPFBHVEDL-UHFFFAOYSA-N 0 0 424.481 5.836 50 0 HKAARN O=c1/c(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2nc3ccccc3n12 ZINC000001797320 569053255 /nfs/dbraw/zinc/05/32/55/569053255.db2.gz CZOMAZOWXBFOQM-YVLHZVERSA-N 0 0 413.285 5.024 50 0 HKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3c(F)cccc3Cl)cc2o1 ZINC000001797477 557288756 /nfs/dbraw/zinc/28/87/56/557288756.db2.gz RYXZTKQBXCTIPW-UHFFFAOYSA-N 0 0 415.247 6.485 50 0 HKAARN CC(C)(C)c1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000001797478 557288644 /nfs/dbraw/zinc/28/86/44/557288644.db2.gz DLTMKHKENBOMOP-UHFFFAOYSA-N 0 0 418.920 6.990 50 0 HKAARN CCCc1cc2c(cc1OCc1ccc(Cl)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797509 557288747 /nfs/dbraw/zinc/28/87/47/557288747.db2.gz HIHPVBWRSGLBFS-UHFFFAOYSA-N 0 0 404.893 6.645 50 0 HKAARN CCCc1cc2c(cc1OCc1ccccc1Cl)oc(=O)cc2-c1ccccc1 ZINC000001797512 557288914 /nfs/dbraw/zinc/28/89/14/557288914.db2.gz DIMKALKGXHAVNZ-UHFFFAOYSA-N 0 0 404.893 6.645 50 0 HKAARN CCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797516 557288970 /nfs/dbraw/zinc/28/89/70/557288970.db2.gz OYDHTSWEDUTDHW-UHFFFAOYSA-N 0 0 414.457 5.388 50 0 HKAARN Cc1cc(OCc2ccc(Br)cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797548 569053329 /nfs/dbraw/zinc/05/33/29/569053329.db2.gz UNIYNNOVCSNBSR-UHFFFAOYSA-N 0 0 421.290 6.110 50 0 HKAARN Cc1cc(OCc2ccc(Cl)cc2Cl)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797549 557288999 /nfs/dbraw/zinc/28/89/99/557288999.db2.gz NPKMNEAFCJQXBD-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN Cc1cc(OCc2ccc(Cl)c(Cl)c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797550 557289011 /nfs/dbraw/zinc/28/90/11/557289011.db2.gz KMWITIXEWPRVOR-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN Cc1cc(OCc2c(Cl)cccc2Cl)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797552 557289014 /nfs/dbraw/zinc/28/90/14/557289014.db2.gz VFXVYIWOXDQNNV-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12 ZINC000001797593 560729408 /nfs/dbraw/zinc/72/94/08/560729408.db2.gz XCJIXQFHCVVDCO-UHFFFAOYSA-N 0 0 406.865 5.913 50 0 HKAARN O=c1oc2cc(OCc3c(Cl)cccc3Cl)c(Cl)cc2c2c1CCCC2 ZINC000001797630 557288996 /nfs/dbraw/zinc/28/89/96/557288996.db2.gz LHRBIQIPZBUUSI-UHFFFAOYSA-N 0 0 409.696 6.211 50 0 HKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3C)ccc2oc1-c1ccccc1 ZINC000001797674 569053365 /nfs/dbraw/zinc/05/33/65/569053365.db2.gz RSYGDMBFJBRXSO-UHFFFAOYSA-N 0 0 400.430 5.804 50 0 HKAARN O=c1oc2cc(OCc3ccccc3F)ccc2cc1-c1nc2ccccc2s1 ZINC000001797679 569053363 /nfs/dbraw/zinc/05/33/63/569053363.db2.gz UGAKQNIKWUZJMM-UHFFFAOYSA-N 0 0 403.434 5.788 50 0 HKAARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3Cl)cc21 ZINC000001797684 569053340 /nfs/dbraw/zinc/05/33/40/569053340.db2.gz KSBKUNCUJAMSJL-UHFFFAOYSA-N 0 0 409.265 5.430 50 0 HKAARN CCOC(=O)c1c2cc(OCc3c(F)cccc3Cl)ccc2oc1-c1ccccc1 ZINC000001797687 569053339 /nfs/dbraw/zinc/05/33/39/569053339.db2.gz NMQFUYXCBYYQMW-UHFFFAOYSA-N 0 0 424.855 6.648 50 0 HKAARN COCCOC(=O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc21 ZINC000001797690 569053323 /nfs/dbraw/zinc/05/33/23/569053323.db2.gz DTHXEECTZAJHQO-UHFFFAOYSA-N 0 0 409.265 5.430 50 0 HKAARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc21 ZINC000001797712 569053356 /nfs/dbraw/zinc/05/33/56/569053356.db2.gz SPZXTSYQSNEEGL-UHFFFAOYSA-N 0 0 409.265 5.430 50 0 HKAARN CCOC(=O)c1c2cc(OCc3cccc(Cl)c3)ccc2oc1-c1ccccc1 ZINC000001797716 569053350 /nfs/dbraw/zinc/05/33/50/569053350.db2.gz LLEDIMNBFMBDNY-UHFFFAOYSA-N 0 0 406.865 6.509 50 0 HKAARN CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(CCCC)c2c2ccccc12 ZINC000001797847 569053367 /nfs/dbraw/zinc/05/33/67/569053367.db2.gz QZXPYAFYWRJFRQ-UHFFFAOYSA-N 0 0 409.526 6.175 50 0 HKAARN CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC)cc1 ZINC000001797979 569053353 /nfs/dbraw/zinc/05/33/53/569053353.db2.gz COVJIFILRBKASE-RUZDIDTESA-N 0 0 411.586 6.051 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC)cc1 ZINC000001797981 569053336 /nfs/dbraw/zinc/05/33/36/569053336.db2.gz COVJIFILRBKASE-VWLOTQADSA-N 0 0 411.586 6.051 50 0 biogenic HKAARN Cc1cccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001798143 557288906 /nfs/dbraw/zinc/28/89/06/557288906.db2.gz JHKKIVILJBVKBI-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000001798228 569053311 /nfs/dbraw/zinc/05/33/11/569053311.db2.gz JIUCLCUFQNVHJB-QGZVFWFLSA-N 0 0 414.596 5.355 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000001798229 569053310 /nfs/dbraw/zinc/05/33/10/569053310.db2.gz JIUCLCUFQNVHJB-KRWDZBQOSA-N 0 0 414.596 5.355 50 0 HKAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000001798898 569007810 /nfs/dbraw/zinc/00/78/10/569007810.db2.gz FPAGOQFLRDAVHX-UHFFFAOYSA-N 0 0 408.910 5.340 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2oc1C(C)(C)C ZINC000001798997 569053351 /nfs/dbraw/zinc/05/33/51/569053351.db2.gz AZZKLSYKQNYWBU-UHFFFAOYSA-N 0 0 421.320 6.793 50 0 HKAARN COC(=O)c1c(C)oc2cc(Br)c(OC/C=C/c3ccccc3)cc21 ZINC000001799026 569053352 /nfs/dbraw/zinc/05/33/52/569053352.db2.gz GITVSUBXPWBTLK-RMKNXTFCSA-N 0 0 401.256 5.383 50 0 HKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC/C=C/c3ccccc3)cc21 ZINC000001799031 569053359 /nfs/dbraw/zinc/05/33/59/569053359.db2.gz YRBQNKDZCPGMFG-JXMROGBWSA-N 0 0 415.283 5.773 50 0 HKAARN Cc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000001799098 569053344 /nfs/dbraw/zinc/05/33/44/569053344.db2.gz WUNWZPZVQXKXHT-UHFFFAOYSA-N 0 0 418.924 5.803 50 0 HKAARN O=c1oc2cc(OCc3cccc(Cl)c3)ccc2cc1-c1nc2ccccc2s1 ZINC000001799112 569053355 /nfs/dbraw/zinc/05/33/55/569053355.db2.gz XAHNDCWILYABLT-UHFFFAOYSA-N 0 0 419.889 6.302 50 0 HKAARN CCC(=O)Oc1cc2oc(CC)c(-c3nc4ccccc4s3)c(=O)c2cc1CC ZINC000001799119 569060409 /nfs/dbraw/zinc/06/04/09/569060409.db2.gz FSCMEBLHXCTWSL-UHFFFAOYSA-N 0 0 407.491 5.510 50 0 biogenic HKAARN O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2cc1-c1ccccn1 ZINC000001799152 569060467 /nfs/dbraw/zinc/06/04/67/569060467.db2.gz FESTVHJRVLGZMZ-UHFFFAOYSA-N 0 0 419.305 5.130 50 0 aggregator HKAARN Cc1ccc(S(=O)(=O)c2nc(Cc3ccccc3)oc2NCc2ccccc2)cc1 ZINC000001799173 557288955 /nfs/dbraw/zinc/28/89/55/557288955.db2.gz KCZQVVRJWJJZLP-UHFFFAOYSA-N 0 0 418.518 5.019 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccc(Br)cc1 ZINC000001799216 557288917 /nfs/dbraw/zinc/28/89/17/557288917.db2.gz ITZPZBZSMXUDGV-UHFFFAOYSA-N 0 0 423.335 5.441 50 0 HKAARN Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(C)c1Sc1ccc(Cl)cc1 ZINC000001799303 557288895 /nfs/dbraw/zinc/28/88/95/557288895.db2.gz FTXKLICJLPNYDJ-UHFFFAOYSA-N 0 0 411.741 6.300 50 0 HKAARN CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000001799602 569053325 /nfs/dbraw/zinc/05/33/25/569053325.db2.gz YICQFPHYYDYFNN-ACCUITESSA-N 0 0 407.432 5.935 50 0 HKAARN CCc1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001799746 557288882 /nfs/dbraw/zinc/28/88/82/557288882.db2.gz RRSJXMKLKQBSAK-UHFFFAOYSA-N 0 0 418.924 5.748 50 0 HKAARN CCN(CC)c1nc(=O)n(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1Cl ZINC000001799802 557288875 /nfs/dbraw/zinc/28/88/75/557288875.db2.gz CMDKQOUVELIVNB-UHFFFAOYSA-N 0 0 420.900 5.054 50 0 HKAARN CCOc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001799831 557288979 /nfs/dbraw/zinc/28/89/79/557288979.db2.gz NQEPRABLBIKNCW-UHFFFAOYSA-N 0 0 420.436 6.011 50 0 HKAARN CCCCc1cc2c(cc1OCC(=O)OC)occ(-c1cc3ccccc3o1)c2=O ZINC000001799840 569060419 /nfs/dbraw/zinc/06/04/19/569060419.db2.gz MXDFHFQLHKKIKB-UHFFFAOYSA-N 0 0 406.434 5.101 50 0 biogenic HKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1CCc1ccccc1 ZINC000001800451 569053386 /nfs/dbraw/zinc/05/33/86/569053386.db2.gz RQFXSHXSZGJUGK-UHFFFAOYSA-N 0 0 407.513 6.303 50 0 HKAARN Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001800529 557289375 /nfs/dbraw/zinc/28/93/75/557289375.db2.gz SCWCMHLQWRFKFI-UHFFFAOYSA-N 0 0 413.258 5.519 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000001800705 557289310 /nfs/dbraw/zinc/28/93/10/557289310.db2.gz PULGTCGRFOAQQW-UHFFFAOYSA-N 0 0 421.518 5.098 50 0 HKAARN Cc1ccc(C(=O)N2c3ccc(Cl)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000001801525 132247754 /nfs/dbraw/zinc/24/77/54/132247754.db2.gz XVVNQRAKLWFXAZ-UHFFFAOYSA-N 0 0 418.008 7.063 50 0 HKAARN Cc1sc2nc(SCCOc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000001801628 557289387 /nfs/dbraw/zinc/28/93/87/557289387.db2.gz LRCDRXWZUNHRND-UHFFFAOYSA-N 0 0 408.548 5.235 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000001801725 569053379 /nfs/dbraw/zinc/05/33/79/569053379.db2.gz PVOOQPAUPRNYJR-UHFFFAOYSA-N 0 0 423.900 6.599 50 0 HKAARN O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccccc1)sc1c2CCC1 ZINC000001801728 557289321 /nfs/dbraw/zinc/28/93/21/557289321.db2.gz NFKKXWUMXUCLMI-UHFFFAOYSA-N 0 0 408.523 5.367 50 0 HKAARN c1ccc(COc2ccc(Oc3nc(-c4cccnc4)nc4ccccc43)cc2)cc1 ZINC000001801750 557289356 /nfs/dbraw/zinc/28/93/56/557289356.db2.gz YQEFVFFCQNTFNO-UHFFFAOYSA-N 0 0 405.457 6.063 50 0 HKAARN Cc1ccc2cccc(Oc3ncnc4scc(-c5ccc(C(C)C)cc5)c43)c2n1 ZINC000001801794 557289331 /nfs/dbraw/zinc/28/93/31/557289331.db2.gz PXXMOEGOPLLQCS-UHFFFAOYSA-N 0 0 411.530 7.131 50 0 HKAARN Cc1ccc2cccc(Oc3ncnc4scc(-c5ccc(Cl)cc5)c43)c2n1 ZINC000001801823 557289384 /nfs/dbraw/zinc/28/93/84/557289384.db2.gz STZICRGBLZXRCN-UHFFFAOYSA-N 0 0 403.894 6.661 50 0 aggregator HKAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000001802723 557289268 /nfs/dbraw/zinc/28/92/68/557289268.db2.gz IJNPTTNOCRLSPM-UHFFFAOYSA-N 0 0 405.548 5.706 50 0 HKAARN c1ccc2c3nc(CCCCc4nc5c(ccc6ccccc56)s4)sc3ccc2c1 ZINC000001802762 569053430 /nfs/dbraw/zinc/05/34/30/569053430.db2.gz JDOIFGIDMCGRFJ-UHFFFAOYSA-N 0 0 424.594 7.778 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc2ccccc2c1Cl ZINC000001802766 557289401 /nfs/dbraw/zinc/28/94/01/557289401.db2.gz MEJTUMVROVUPPX-UHFFFAOYSA-N 0 0 405.331 6.584 50 0 HKAARN Cc1nn(C(=O)c2ccc(Br)cc2)c(C)c1Sc1ccc(C)cc1 ZINC000001803122 568836423 /nfs/dbraw/zinc/83/64/23/568836423.db2.gz GQQUHFBWOJYBNI-UHFFFAOYSA-N 0 0 401.329 5.411 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001803362 569053464 /nfs/dbraw/zinc/05/34/64/569053464.db2.gz UCKAKKDFKKMMLZ-LBPRGKRZSA-N 0 0 407.564 5.581 50 0 HKAARN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001803511 557289632 /nfs/dbraw/zinc/28/96/32/557289632.db2.gz ZUJOHHFWCHKIGO-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN CCCCCOc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001803579 557289600 /nfs/dbraw/zinc/28/96/00/557289600.db2.gz PAVRKJHRZQUJPA-RUZDIDTESA-N 0 0 402.258 6.876 50 0 HKAARN CCCCCOc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001803580 557289638 /nfs/dbraw/zinc/28/96/38/557289638.db2.gz PAVRKJHRZQUJPA-VWLOTQADSA-N 0 0 402.258 6.876 50 0 HKAARN O=C(Oc1ccc(I)cc1)N(c1ccccc1)c1ccccc1 ZINC000001803588 569053438 /nfs/dbraw/zinc/05/34/38/569053438.db2.gz VEEUFJZKSNUTOD-UHFFFAOYSA-N 0 0 415.230 5.628 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(F)cc1 ZINC000001803709 557289541 /nfs/dbraw/zinc/28/95/41/557289541.db2.gz HYPJDKUSCWZEFI-UHFFFAOYSA-N 0 0 408.860 5.325 50 0 HKAARN CCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3N2c2ccccc2)SC1=S ZINC000001803793 559273037 /nfs/dbraw/zinc/27/30/37/559273037.db2.gz WUUKDMCVJYNRBZ-FANOUHKGSA-N 0 0 407.564 5.270 50 0 HKAARN CCCCOc1ccc(-c2nc3sc4c(c3c(=S)[nH]2)CC(C)(C)OC4)cc1 ZINC000001803817 569053467 /nfs/dbraw/zinc/05/34/67/569053467.db2.gz WBJSOUGBMCELGI-UHFFFAOYSA-N 0 0 400.569 6.051 50 0 HKAARN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)c(Cl)c3)c1-2 ZINC000001803963 557289641 /nfs/dbraw/zinc/28/96/41/557289641.db2.gz OSHYTZGMFSFFPB-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN Cc1ccc(C)c(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001804044 569053476 /nfs/dbraw/zinc/05/34/76/569053476.db2.gz OFVPKCTZFODFAZ-UHFFFAOYSA-N 0 0 418.924 5.803 50 0 HKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001804078 569282507 /nfs/dbraw/zinc/28/25/07/569282507.db2.gz FVQRFVHGSUSHPM-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN CCCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1 ZINC000001804415 535140175 /nfs/dbraw/zinc/14/01/75/535140175.db2.gz HVTRLCYNKJMKMI-RLWLMLJZSA-N 0 0 412.577 7.012 50 0 HKAARN CCCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1 ZINC000001804417 535141099 /nfs/dbraw/zinc/14/10/99/535141099.db2.gz HVTRLCYNKJMKMI-LVXARBLLSA-N 0 0 412.577 7.012 50 0 HKAARN CCCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1 ZINC000001804419 535140140 /nfs/dbraw/zinc/14/01/40/535140140.db2.gz HVTRLCYNKJMKMI-QFQXNSOFSA-N 0 0 412.577 7.012 50 0 HKAARN CCCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 ZINC000001804421 535140705 /nfs/dbraw/zinc/14/07/05/535140705.db2.gz HVTRLCYNKJMKMI-HFZDXXHNSA-N 0 0 412.577 7.012 50 0 HKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)cc1 ZINC000001804637 557289505 /nfs/dbraw/zinc/28/95/05/557289505.db2.gz ZQRCDPHOHQLYKN-WEVVVXLNSA-N 0 0 405.548 5.810 50 0 HKAARN CC[C@@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(Cc3ccccc3)c(=O)c21 ZINC000001804768 569053458 /nfs/dbraw/zinc/05/34/58/569053458.db2.gz UDZBQBZMAUNRND-VWLOTQADSA-N 0 0 404.579 5.683 50 0 HKAARN CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(Cc3ccccc3)c(=O)c21 ZINC000001804770 569053437 /nfs/dbraw/zinc/05/34/37/569053437.db2.gz UDZBQBZMAUNRND-RUZDIDTESA-N 0 0 404.579 5.683 50 0 HKAARN COc1cccc(C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 ZINC000001805009 557289581 /nfs/dbraw/zinc/28/95/81/557289581.db2.gz GYPAVCZETMLYTC-UHFFFAOYSA-N 0 0 420.848 5.384 50 0 biogenic HKAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OCc1ccccc1 ZINC000001805031 569053445 /nfs/dbraw/zinc/05/34/45/569053445.db2.gz MHVRVZIPMHXTKO-JOCHJYFZSA-N 0 0 420.534 5.069 50 0 HKAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OCc1ccccc1 ZINC000001805034 569053475 /nfs/dbraw/zinc/05/34/75/569053475.db2.gz MHVRVZIPMHXTKO-QFIPXVFZSA-N 0 0 420.534 5.069 50 0 HKAARN Cc1ccc(-n2c3c(c(=S)nc2-c2ccc(Br)cc2)CCCC3)cc1 ZINC000001805488 569053428 /nfs/dbraw/zinc/05/34/28/569053428.db2.gz RANFYGLYOZYPTH-UHFFFAOYSA-N 0 0 411.368 6.219 50 0 HKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)cc1 ZINC000001805503 569053463 /nfs/dbraw/zinc/05/34/63/569053463.db2.gz VNNUARKIGCWLOO-XBXARRHUSA-N 0 0 409.967 6.455 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)n(-c3cccc4ccccc43)sc1C(C)(C)N2 ZINC000001805527 557289625 /nfs/dbraw/zinc/28/96/25/557289625.db2.gz XXWBXXAKDNAUOP-UHFFFAOYSA-N 0 0 404.560 6.758 50 0 HKAARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc31)c1nc3ccccc3nc12 ZINC000001805555 569053461 /nfs/dbraw/zinc/05/34/61/569053461.db2.gz UREGOTRMGKUSQO-SXOMAYOGSA-N 0 0 407.517 5.751 50 0 biogenic HKAARN CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001805663 569053440 /nfs/dbraw/zinc/05/34/40/569053440.db2.gz KBWDNUSTZHNKBZ-UHFFFAOYSA-N 0 0 408.527 5.563 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(Cl)cc3)c3cc(C)ccc3o2)cc1OC ZINC000001805953 568836543 /nfs/dbraw/zinc/83/65/43/568836543.db2.gz LNUKFGYQVPPREH-LHLOQNFPSA-N 0 0 405.881 6.311 50 0 HKAARN COc1cc2cc(C(=O)NC3CCCCC3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000001806126 557289880 /nfs/dbraw/zinc/28/98/80/557289880.db2.gz DXBUULZGIFEUQW-UHFFFAOYSA-N 0 0 403.522 5.895 50 0 HKAARN Cc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000001807311 132248000 /nfs/dbraw/zinc/24/80/00/132248000.db2.gz NTXUYLRSOUPCMH-UHFFFAOYSA-N 0 0 404.514 5.132 50 0 HKAARN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc1 ZINC000001807466 569053547 /nfs/dbraw/zinc/05/35/47/569053547.db2.gz CNDCKRXEIHUIPA-UHFFFAOYSA-N 0 0 420.505 6.369 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001807744 569053586 /nfs/dbraw/zinc/05/35/86/569053586.db2.gz AFOZEAFMLOHMPF-WEVVVXLNSA-N 0 0 401.245 5.207 50 0 HKAARN CCCCCCOC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001807757 557289864 /nfs/dbraw/zinc/28/98/64/557289864.db2.gz DYWPABJLSITKFH-UHFFFAOYSA-N 0 0 415.533 6.194 50 0 biogenic HKAARN CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001807764 557289964 /nfs/dbraw/zinc/28/99/64/557289964.db2.gz KWSAMRWDKGCNNP-UHFFFAOYSA-N 0 0 401.506 6.343 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000001807795 569053551 /nfs/dbraw/zinc/05/35/51/569053551.db2.gz ZVPXIXGMIRMTDI-HJTPGIPUSA-N 0 0 403.931 5.355 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 ZINC000001807798 568836769 /nfs/dbraw/zinc/83/67/69/568836769.db2.gz ZVPXIXGMIRMTDI-SVTZGKHISA-N 0 0 403.931 5.355 50 0 HKAARN CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 ZINC000001807800 557289872 /nfs/dbraw/zinc/28/98/72/557289872.db2.gz HHNSMKYVCUCEHN-HNNXBMFYSA-N 0 0 415.555 5.020 50 0 HKAARN CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 ZINC000001807801 557289929 /nfs/dbraw/zinc/28/99/29/557289929.db2.gz HHNSMKYVCUCEHN-OAHLLOKOSA-N 0 0 415.555 5.020 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc(Br)cc1 ZINC000001807841 557289970 /nfs/dbraw/zinc/28/99/70/557289970.db2.gz SEGWKRNVMYYTRK-UHFFFAOYSA-N 0 0 419.369 5.308 50 0 HKAARN CCCCCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000001807935 569053539 /nfs/dbraw/zinc/05/35/39/569053539.db2.gz POUURWKHBWLAPC-PKNBQFBNSA-N 0 0 402.918 6.153 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001808007 557289907 /nfs/dbraw/zinc/28/99/07/557289907.db2.gz XTIYPSLQVIKETP-UHFFFAOYSA-N 0 0 416.590 6.078 50 0 biogenic HKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000001808039 557289953 /nfs/dbraw/zinc/28/99/53/557289953.db2.gz ZLTSLBWRHUNGOQ-NRFANRHFSA-N 0 0 414.936 6.147 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000001808041 557289933 /nfs/dbraw/zinc/28/99/33/557289933.db2.gz ZLTSLBWRHUNGOQ-OAQYLSRUSA-N 0 0 414.936 6.147 50 0 HKAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001808231 557289920 /nfs/dbraw/zinc/28/99/20/557289920.db2.gz YSOKQBBAXLUTMA-UHFFFAOYSA-N 0 0 407.897 5.712 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4C(C)C)cc3)sc2c1 ZINC000001808232 557289944 /nfs/dbraw/zinc/28/99/44/557289944.db2.gz WGLFDFMEPCAGLM-UHFFFAOYSA-N 0 0 416.546 6.413 50 0 HKAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001808240 569053651 /nfs/dbraw/zinc/05/36/51/569053651.db2.gz JEUOIGVAFZNTGD-UHFFFAOYSA-N 0 0 421.924 5.886 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CCCC2 ZINC000001808245 557289897 /nfs/dbraw/zinc/28/98/97/557289897.db2.gz LGBRTTANWKWXGN-UHFFFAOYSA-N 0 0 415.555 5.119 50 0 HKAARN O=c1oc2cc(OCc3ccc(Cl)cc3Cl)c(Cl)cc2c2c1CCCC2 ZINC000001808403 557289891 /nfs/dbraw/zinc/28/98/91/557289891.db2.gz LWJQZJGGBCNRNX-UHFFFAOYSA-N 0 0 409.696 6.211 50 0 HKAARN O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc2c2c1CCCC2 ZINC000001808411 569053652 /nfs/dbraw/zinc/05/36/52/569053652.db2.gz FJVHMEZPHJVXKA-UHFFFAOYSA-N 0 0 409.696 6.211 50 0 HKAARN CCOC(=O)c1c(C)n(-c2ccc(N(CC)CC)cc2)c2c1cc(O)c1ccccc21 ZINC000001808431 569053689 /nfs/dbraw/zinc/05/36/89/569053689.db2.gz WEHYXLNETGENJT-UHFFFAOYSA-N 0 0 416.521 5.821 50 0 HKAARN O=c1oc2cc(OCc3ccc(Br)cc3)c(Cl)cc2c2c1CCCC2 ZINC000001808502 569053607 /nfs/dbraw/zinc/05/36/07/569053607.db2.gz GYGGEXDOSHRMHZ-UHFFFAOYSA-N 0 0 419.702 5.667 50 0 HKAARN CCOC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000001808641 557290171 /nfs/dbraw/zinc/29/01/71/557290171.db2.gz WVJULKQCGBSUFZ-UHFFFAOYSA-N 0 0 403.869 5.871 50 0 HKAARN CCOC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000001808645 557290161 /nfs/dbraw/zinc/29/01/61/557290161.db2.gz JGNIAFXBZWALIW-UHFFFAOYSA-N 0 0 403.869 5.871 50 0 HKAARN CCCCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 ZINC000001809046 568836738 /nfs/dbraw/zinc/83/67/38/568836738.db2.gz HVOSOBRUHOJJMB-CYVLTUHYSA-N 0 0 416.315 5.408 50 0 HKAARN Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000001809088 569053711 /nfs/dbraw/zinc/05/37/11/569053711.db2.gz PRJHYUNGWYWXPQ-UHFFFAOYSA-N 0 0 414.530 5.601 50 0 HKAARN CCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 ZINC000001809542 568836734 /nfs/dbraw/zinc/83/67/34/568836734.db2.gz NDQCAWVMZJAPFH-UHFFFAOYSA-N 0 0 407.583 5.640 50 0 HKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 ZINC000001810266 557290152 /nfs/dbraw/zinc/29/01/52/557290152.db2.gz HKNAILHEPNDHLD-UHFFFAOYSA-N 0 0 414.596 5.617 50 0 HKAARN Cc1ccc(SC2=C(Nc3ccccc3F)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001810720 560583329 /nfs/dbraw/zinc/58/33/29/560583329.db2.gz NOFPRMRFXZKFPU-UHFFFAOYSA-N 0 0 418.493 5.119 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000001811810 569056160 /nfs/dbraw/zinc/05/61/60/569056160.db2.gz HZGFPJAHWBOYER-UHFFFAOYSA-N 0 0 424.447 6.748 50 0 HKAARN Cc1c(/N=c2\scc(-c3ccccc3)n2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000001811954 557290127 /nfs/dbraw/zinc/29/01/27/557290127.db2.gz SHUFCMDRWVPUMS-BZZOAKBMSA-N 0 0 418.566 5.002 50 0 HKAARN Clc1ccc(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)c(Cl)c1 ZINC000001811975 569056143 /nfs/dbraw/zinc/05/61/43/569056143.db2.gz CRGXKDGERNACQD-UHFFFAOYSA-N 0 0 412.320 6.025 50 0 HKAARN CCCc1nc2sc3c(ncnc3SCCC(C)C)c2c2c1COC(C)(C)C2 ZINC000001812090 569056165 /nfs/dbraw/zinc/05/61/65/569056165.db2.gz ONKVXVLHSAHMGV-UHFFFAOYSA-N 0 0 415.628 6.182 50 0 HKAARN COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000001812127 557290463 /nfs/dbraw/zinc/29/04/63/557290463.db2.gz CWLAWHOFRCZCHU-ZDUSSCGKSA-N 0 0 400.569 5.081 50 0 HKAARN COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000001812128 557290460 /nfs/dbraw/zinc/29/04/60/557290460.db2.gz CWLAWHOFRCZCHU-CYBMUJFWSA-N 0 0 400.569 5.081 50 0 HKAARN c1ccc(Cc2nc3c(c(N4CCCCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000001812225 132247960 /nfs/dbraw/zinc/24/79/60/132247960.db2.gz PFIPAHIBTHEBPM-UHFFFAOYSA-N 0 0 423.604 6.483 50 0 HKAARN CCCCCCNc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000001812271 569056191 /nfs/dbraw/zinc/05/61/91/569056191.db2.gz SBEKRONGJRGJOO-UHFFFAOYSA-N 0 0 402.567 6.387 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(C)c(Cl)c3)sc1C(C)(C)N2 ZINC000001812568 557290485 /nfs/dbraw/zinc/29/04/85/557290485.db2.gz SUGYEEYWNKRTKW-UHFFFAOYSA-N 0 0 402.972 6.566 50 0 HKAARN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cc(Cl)ccc3Cl)c1-2 ZINC000001812580 557290473 /nfs/dbraw/zinc/29/04/73/557290473.db2.gz VYALTWNMADGZRS-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN CCCCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000001812980 569056184 /nfs/dbraw/zinc/05/61/84/569056184.db2.gz MFRALUHXVYBMNR-UHFFFAOYSA-N 0 0 405.592 6.678 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1CCCC2 ZINC000001813303 569056170 /nfs/dbraw/zinc/05/61/70/569056170.db2.gz WBVGUHPDKDGKGN-UHFFFAOYSA-N 0 0 402.567 5.929 50 0 HKAARN Cc1cccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000001813695 132247991 /nfs/dbraw/zinc/24/79/91/132247991.db2.gz YXKACPSGVJAHNF-UHFFFAOYSA-N 0 0 420.969 5.647 50 0 HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000001813813 557290433 /nfs/dbraw/zinc/29/04/33/557290433.db2.gz BLOIOEJSTVAHGU-VWLOTQADSA-N 0 0 412.468 5.543 50 0 HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(F)cc1 ZINC000001813814 557290490 /nfs/dbraw/zinc/29/04/90/557290490.db2.gz BLOIOEJSTVAHGU-RUZDIDTESA-N 0 0 412.468 5.543 50 0 HKAARN CCOc1cccc2c1N(C(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000001813980 132247923 /nfs/dbraw/zinc/24/79/23/132247923.db2.gz OWHTYWLLUOCEME-UHFFFAOYSA-N 0 0 413.589 6.500 50 0 HKAARN Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5C)c(N)c42)CCC3)cc1 ZINC000001814297 569056180 /nfs/dbraw/zinc/05/61/80/569056180.db2.gz XKBQWROWGXZOPD-UHFFFAOYSA-N 0 0 413.546 5.903 50 0 HKAARN CCCCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001814333 569056174 /nfs/dbraw/zinc/05/61/74/569056174.db2.gz QSFWZOUXLISCFX-UHFFFAOYSA-N 0 0 412.603 5.841 50 0 HKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 ZINC000001814402 568837186 /nfs/dbraw/zinc/83/71/86/568837186.db2.gz YXSISRVTEUCTTE-NDENLUEZSA-N 0 0 424.283 5.917 50 0 HKAARN CCCN(CCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000001814456 569056171 /nfs/dbraw/zinc/05/61/71/569056171.db2.gz WCPOKSUDJYDSEY-UHFFFAOYSA-N 0 0 416.594 6.412 50 0 HKAARN CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001814765 557290401 /nfs/dbraw/zinc/29/04/01/557290401.db2.gz YDJQZKJIUSCZPJ-UHFFFAOYSA-N 0 0 402.563 5.439 50 0 HKAARN COc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001815142 569056186 /nfs/dbraw/zinc/05/61/86/569056186.db2.gz HSRQZYGLYUUTBP-UHFFFAOYSA-N 0 0 420.896 5.195 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 ZINC000001815206 569056153 /nfs/dbraw/zinc/05/61/53/569056153.db2.gz GMWPHEZAHIIJSE-UHFFFAOYSA-N 0 0 420.559 5.333 50 0 HKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000001815263 569056148 /nfs/dbraw/zinc/05/61/48/569056148.db2.gz SYXIIDVXHDDWMH-UHFFFAOYSA-N 0 0 412.603 5.806 50 0 HKAARN Cn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000001815323 557290498 /nfs/dbraw/zinc/29/04/98/557290498.db2.gz VXJRBWCOCGNUPZ-UHFFFAOYSA-N 0 0 416.590 5.540 50 0 HKAARN CCCCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000001815694 557290414 /nfs/dbraw/zinc/29/04/14/557290414.db2.gz JIMPELPXBXADEI-LJSKOJCJSA-N 0 0 406.397 6.573 50 0 HKAARN CCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000001816163 132248006 /nfs/dbraw/zinc/24/80/06/132248006.db2.gz KFIOUAKHOAUKID-RLWLMLJZSA-N 0 0 412.577 6.848 50 0 HKAARN CCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000001816164 132247985 /nfs/dbraw/zinc/24/79/85/132247985.db2.gz KFIOUAKHOAUKID-LVXARBLLSA-N 0 0 412.577 6.848 50 0 HKAARN CCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000001816165 132247954 /nfs/dbraw/zinc/24/79/54/132247954.db2.gz KFIOUAKHOAUKID-QFQXNSOFSA-N 0 0 412.577 6.848 50 0 HKAARN CCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000001816166 132247978 /nfs/dbraw/zinc/24/79/78/132247978.db2.gz KFIOUAKHOAUKID-HFZDXXHNSA-N 0 0 412.577 6.848 50 0 HKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001816660 569056125 /nfs/dbraw/zinc/05/61/25/569056125.db2.gz YFKVOTWCFGXOGA-UHFFFAOYSA-N 0 0 424.658 6.723 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc(F)c1 ZINC000001816753 557290710 /nfs/dbraw/zinc/29/07/10/557290710.db2.gz VOYYCUYYOZZLLW-UHFFFAOYSA-N 0 0 416.839 6.693 50 0 HKAARN Cc1ccc2nc(N(Cc3ccccc3)c3ccccc3)nc(-c3ccccc3)c2c1 ZINC000001817052 569056079 /nfs/dbraw/zinc/05/60/79/569056079.db2.gz FZBBYPQLDMSJHI-UHFFFAOYSA-N 0 0 401.513 6.944 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 ZINC000001817105 569056130 /nfs/dbraw/zinc/05/61/30/569056130.db2.gz VBHMYBMELBXKQH-UHFFFAOYSA-N 0 0 402.610 5.436 50 0 HKAARN C/C(Cl)=C/CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001818405 569056169 /nfs/dbraw/zinc/05/61/69/569056169.db2.gz NZCANRGMXPANCM-JYRVWZFOSA-N 0 0 418.031 6.552 50 0 HKAARN CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2ccc(C)cc2NC3(C)C)cc1 ZINC000001818490 557290773 /nfs/dbraw/zinc/29/07/73/557290773.db2.gz QGSBZYPIKZPRAA-UHFFFAOYSA-N 0 0 410.564 6.081 50 0 HKAARN CCOC(=O)c1c2cc(OCc3c(F)cccc3Cl)ccc2oc1C(C)(C)C ZINC000001818859 569056182 /nfs/dbraw/zinc/05/61/82/569056182.db2.gz SAALGWZTFOSTEK-UHFFFAOYSA-N 0 0 404.865 6.279 50 0 HKAARN COc1ccc(-c2csc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)n2)cc1 ZINC000001819049 557290720 /nfs/dbraw/zinc/29/07/20/557290720.db2.gz BOBCEHUZGPFQEG-UHFFFAOYSA-N 0 0 404.274 5.899 50 0 HKAARN CCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 ZINC000001819209 569056243 /nfs/dbraw/zinc/05/62/43/569056243.db2.gz MGWBAIHMDRXZSO-CYBMUJFWSA-N 0 0 422.645 5.441 50 0 HKAARN CCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 ZINC000001819210 569056224 /nfs/dbraw/zinc/05/62/24/569056224.db2.gz MGWBAIHMDRXZSO-ZDUSSCGKSA-N 0 0 422.645 5.441 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(C)c(Cl)c3)sc1C(C)(C)N2C ZINC000001819567 132247912 /nfs/dbraw/zinc/24/79/12/132247912.db2.gz FRSNBFZIBDFWNG-UHFFFAOYSA-N 0 0 401.000 6.890 50 0 HKAARN CC(C)(C)c1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000001819612 568837527 /nfs/dbraw/zinc/83/75/27/568837527.db2.gz DHDLGPQUUXHQNR-UHFFFAOYSA-N 0 0 406.835 6.906 50 0 HKAARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)c2ccccc2CC12CCCCC2 ZINC000001819618 557290671 /nfs/dbraw/zinc/29/06/71/557290671.db2.gz AANKYPMOOSOWLY-UHFFFAOYSA-N 0 0 423.940 5.551 50 0 HKAARN CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 ZINC000001820165 568837332 /nfs/dbraw/zinc/83/73/32/568837332.db2.gz IXXKQRBWEFLLPN-GFCCVEGCSA-N 0 0 408.618 5.050 50 0 HKAARN CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 ZINC000001820166 569056246 /nfs/dbraw/zinc/05/62/46/569056246.db2.gz IXXKQRBWEFLLPN-LBPRGKRZSA-N 0 0 408.618 5.050 50 0 HKAARN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cc(Cl)cc(Cl)c3)c1-2 ZINC000001820230 569056238 /nfs/dbraw/zinc/05/62/38/569056238.db2.gz JJOLNXHOQCZPOP-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SC/C=C/c2ccccc2)cc1 ZINC000001820434 557290667 /nfs/dbraw/zinc/29/06/67/557290667.db2.gz CLZVUCXNSPETSS-DHZHZOJOSA-N 0 0 414.530 5.590 50 0 HKAARN Clc1ccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1Cl ZINC000001820447 569056221 /nfs/dbraw/zinc/05/62/21/569056221.db2.gz SEAKCPKPQCRSRP-UHFFFAOYSA-N 0 0 421.378 5.817 50 0 HKAARN CCOc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc32)cc1 ZINC000001820522 569056281 /nfs/dbraw/zinc/05/62/81/569056281.db2.gz DJVANDBMHLQZLQ-YYADALCUSA-N 0 0 401.462 5.748 50 0 biogenic HKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001820564 557290738 /nfs/dbraw/zinc/29/07/38/557290738.db2.gz IOGSTRGJABFYRI-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN Cn1c(=O)c2c(nc1SCCc1ccccc1)sc1c2CCc2ccccc2-1 ZINC000001820949 569056273 /nfs/dbraw/zinc/05/62/73/569056273.db2.gz AYNDXVINXWXIFQ-UHFFFAOYSA-N 0 0 404.560 5.095 50 0 HKAARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000001821056 557290693 /nfs/dbraw/zinc/29/06/93/557290693.db2.gz IFDBPDMTPHRVSW-IBGZPJMESA-N 0 0 415.392 6.859 50 0 HKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000001821057 557290674 /nfs/dbraw/zinc/29/06/74/557290674.db2.gz IFDBPDMTPHRVSW-LJQANCHMSA-N 0 0 415.392 6.859 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3C)ccc2c1=O ZINC000001821147 569056298 /nfs/dbraw/zinc/05/62/98/569056298.db2.gz RGFZASSYUVCSHH-UHFFFAOYSA-N 0 0 400.430 5.305 50 0 biogenic HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000001821229 569056256 /nfs/dbraw/zinc/05/62/56/569056256.db2.gz SUQQADGKKZXUFW-NTCAYCPXSA-N 0 0 424.887 6.953 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000001821516 132248003 /nfs/dbraw/zinc/24/80/03/132248003.db2.gz STAJLPRLKITBSB-UHFFFAOYSA-N 0 0 415.580 6.478 50 0 HKAARN CCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001821958 568837649 /nfs/dbraw/zinc/83/76/49/568837649.db2.gz XVPQXGKYYHGDCN-UHFFFAOYSA-N 0 0 420.578 5.812 50 0 biogenic HKAARN Clc1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000001822025 132247939 /nfs/dbraw/zinc/24/79/39/132247939.db2.gz DUUGVIIQYKGWJE-UHFFFAOYSA-N 0 0 406.942 5.338 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3cc(Cl)cc(Cl)c3)sc1C(C)(C)N2 ZINC000001822358 557290699 /nfs/dbraw/zinc/29/06/99/557290699.db2.gz AVNBILVAAYDCSN-UHFFFAOYSA-N 0 0 407.391 7.211 50 0 HKAARN C[C@H]1CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 ZINC000001822597 132247968 /nfs/dbraw/zinc/24/79/68/132247968.db2.gz PGRJQTVGLQRHMB-INIZCTEOSA-N 0 0 416.546 7.186 50 0 HKAARN C[C@@H]1CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 ZINC000001822598 132247981 /nfs/dbraw/zinc/24/79/81/132247981.db2.gz PGRJQTVGLQRHMB-MRXNPFEDSA-N 0 0 416.546 7.186 50 0 HKAARN CCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001822645 557290750 /nfs/dbraw/zinc/29/07/50/557290750.db2.gz UOLZMLNQVDGMED-UHFFFAOYSA-N 0 0 416.590 6.078 50 0 biogenic HKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(C)c(Cl)c3)sc1C(C)(C)N2 ZINC000001822893 557290654 /nfs/dbraw/zinc/29/06/54/557290654.db2.gz GNABIOQODLHGAR-UHFFFAOYSA-N 0 0 416.999 6.956 50 0 HKAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000001823034 569056223 /nfs/dbraw/zinc/05/62/23/569056223.db2.gz IOIMZZLTAABFOM-CQSZACIVSA-N 0 0 424.595 5.427 50 0 HKAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000001823035 569056216 /nfs/dbraw/zinc/05/62/16/569056216.db2.gz IOIMZZLTAABFOM-AWEZNQCLSA-N 0 0 424.595 5.427 50 0 HKAARN Oc1ccccc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001823070 568837788 /nfs/dbraw/zinc/83/77/88/568837788.db2.gz RGNQEMLGCMJMJR-UHFFFAOYSA-N 0 0 404.429 5.577 50 0 HKAARN COc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1 ZINC000001823250 557290759 /nfs/dbraw/zinc/29/07/59/557290759.db2.gz SSYCMIHIBNZODK-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN Fc1ccc(-c2csc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)cc1 ZINC000001823649 132247958 /nfs/dbraw/zinc/24/79/58/132247958.db2.gz UZSIOIMFPODZHR-UHFFFAOYSA-N 0 0 424.932 5.477 50 0 HKAARN CCCCCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000001824858 569056241 /nfs/dbraw/zinc/05/62/41/569056241.db2.gz IDDLOHVXVNHJTA-XMHGGMMESA-N 0 0 414.299 5.363 50 0 HKAARN CCCCCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000001824859 569056210 /nfs/dbraw/zinc/05/62/10/569056210.db2.gz IDDLOHVXVNHJTA-RGEXLXHISA-N 0 0 414.299 5.363 50 0 HKAARN COc1ccc(-n2c(=O)c3c(nc2SC)-c2ccccc2CC32CCCCC2)cc1 ZINC000001825154 569056268 /nfs/dbraw/zinc/05/62/68/569056268.db2.gz XJGVVCXTYSANEG-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 biogenic HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 ZINC000001825227 569056250 /nfs/dbraw/zinc/05/62/50/569056250.db2.gz QQELMZIDWBBDRP-UHFFFAOYSA-N 0 0 418.587 6.023 50 0 HKAARN CC(C)CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001825373 569056264 /nfs/dbraw/zinc/05/62/64/569056264.db2.gz HRKOGQQGNVCBHN-UHFFFAOYSA-N 0 0 415.628 6.352 50 0 HKAARN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(-c4ccccc4)cc3)c1-2 ZINC000001825379 557290731 /nfs/dbraw/zinc/29/07/31/557290731.db2.gz JRMQBHJBZCDZSP-LCUIJRPUSA-N 0 0 414.599 7.345 50 0 HKAARN COc1cccc(C(=O)Sc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000001825507 557290744 /nfs/dbraw/zinc/29/07/44/557290744.db2.gz ASGAECNWNOYCQW-UHFFFAOYSA-N 0 0 406.894 5.891 50 0 HKAARN CSc1nc2sc3c(c2c(N)n1)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000001825554 569056299 /nfs/dbraw/zinc/05/62/99/569056299.db2.gz RVSPEKVTQIGLOB-SJLPKXTDSA-N 0 0 421.616 6.115 50 0 HKAARN CSc1nc2sc3c(c2c(N)n1)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000001825555 568838030 /nfs/dbraw/zinc/83/80/30/568838030.db2.gz RVSPEKVTQIGLOB-FUHWJXTLSA-N 0 0 421.616 6.115 50 0 HKAARN CSc1nc2sc3c(c2c(N)n1)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000001825556 569056293 /nfs/dbraw/zinc/05/62/93/569056293.db2.gz RVSPEKVTQIGLOB-AEFFLSMTSA-N 0 0 421.616 6.115 50 0 HKAARN CSc1nc2sc3c(c2c(N)n1)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000001825557 568838100 /nfs/dbraw/zinc/83/81/00/568838100.db2.gz RVSPEKVTQIGLOB-WMZOPIPTSA-N 0 0 421.616 6.115 50 0 HKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1OC ZINC000001825956 569056285 /nfs/dbraw/zinc/05/62/85/569056285.db2.gz RUGMUYVXEDGAEU-NRFANRHFSA-N 0 0 407.447 5.858 50 0 HKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1OC ZINC000001825957 569056272 /nfs/dbraw/zinc/05/62/72/569056272.db2.gz RUGMUYVXEDGAEU-OAQYLSRUSA-N 0 0 407.447 5.858 50 0 HKAARN CCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001826382 569056254 /nfs/dbraw/zinc/05/62/54/569056254.db2.gz MSQVSZYDCUDVNS-RUZDIDTESA-N 0 0 404.579 5.685 50 0 HKAARN CCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001826383 569056294 /nfs/dbraw/zinc/05/62/94/569056294.db2.gz MSQVSZYDCUDVNS-VWLOTQADSA-N 0 0 404.579 5.685 50 0 HKAARN Cc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001826428 568838083 /nfs/dbraw/zinc/83/80/83/568838083.db2.gz JKTBILBQXUOALA-UHFFFAOYSA-N 0 0 418.924 5.885 50 0 HKAARN CCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001826473 569056292 /nfs/dbraw/zinc/05/62/92/569056292.db2.gz FOASKWUIVCXLCG-UHFFFAOYSA-N 0 0 413.656 6.989 50 0 HKAARN COc1ccc(-c2cc(OC(=O)c3ccccc3Cl)cc3sc(=O)oc32)cc1 ZINC000001827041 569056275 /nfs/dbraw/zinc/05/62/75/569056275.db2.gz QZJDHXVYHOPIKY-UHFFFAOYSA-N 0 0 412.850 5.403 50 0 HKAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)cc1 ZINC000001827251 569056276 /nfs/dbraw/zinc/05/62/76/569056276.db2.gz UCKADYFFGYWCFA-UHFFFAOYSA-N 0 0 404.535 5.329 50 0 HKAARN CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3cccc4ccccc43)cc21 ZINC000001827292 557290962 /nfs/dbraw/zinc/29/09/62/557290962.db2.gz DKVFXXCZFMWQBE-UHFFFAOYSA-N 0 0 415.489 6.080 50 0 HKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1ccccn1 ZINC000001827341 534935137 /nfs/dbraw/zinc/93/51/37/534935137.db2.gz GKKCNCATVZMZJI-RUZDIDTESA-N 0 0 402.563 5.695 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1ccccn1 ZINC000001827342 132248096 /nfs/dbraw/zinc/24/80/96/132248096.db2.gz GKKCNCATVZMZJI-VWLOTQADSA-N 0 0 402.563 5.695 50 0 HKAARN Cc1cccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001827423 568838222 /nfs/dbraw/zinc/83/82/22/568838222.db2.gz LOWLPPBXXIIQKQ-UHFFFAOYSA-N 0 0 418.924 5.885 50 0 HKAARN O=c1oc(-c2ccc(F)cc2)nc2scc(-c3ccc(Br)cc3)c21 ZINC000001827772 557291021 /nfs/dbraw/zinc/29/10/21/557291021.db2.gz KNLVURMDTLQYRR-UHFFFAOYSA-N 0 0 402.244 5.485 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1CCCC2 ZINC000001827871 569056255 /nfs/dbraw/zinc/05/62/55/569056255.db2.gz DZORZUFEWBTTNX-UHFFFAOYSA-N 0 0 416.594 5.971 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 ZINC000001829180 568838250 /nfs/dbraw/zinc/83/82/50/568838250.db2.gz HISFHJJUIHLSDA-MRXNPFEDSA-N 0 0 406.617 5.563 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 ZINC000001829181 568838231 /nfs/dbraw/zinc/83/82/31/568838231.db2.gz HISFHJJUIHLSDA-INIZCTEOSA-N 0 0 406.617 5.563 50 0 HKAARN CC1=CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 ZINC000001829193 132248077 /nfs/dbraw/zinc/24/80/77/132248077.db2.gz HXEMUDHPWKTFLC-UHFFFAOYSA-N 0 0 414.530 7.096 50 0 HKAARN CCCCCC(=O)N1c2ccc(OCC)cc2-c2c(=S)ssc2C1(C)C ZINC000001829476 132248114 /nfs/dbraw/zinc/24/81/14/132248114.db2.gz WSEBGJNYJBFLPD-UHFFFAOYSA-N 0 0 407.626 6.767 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000001829551 557291063 /nfs/dbraw/zinc/29/10/63/557291063.db2.gz QNWXTCZLBHCZKP-RMKNXTFCSA-N 0 0 410.807 6.078 50 0 HKAARN CCCCN(C)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000001829692 569056317 /nfs/dbraw/zinc/05/63/17/569056317.db2.gz KUSRFHGPDCFXBH-UHFFFAOYSA-N 0 0 402.567 6.022 50 0 HKAARN Cc1cc(C)cc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001830297 569056359 /nfs/dbraw/zinc/05/63/59/569056359.db2.gz QHWHHHSOZIDSOZ-UHFFFAOYSA-N 0 0 418.924 5.803 50 0 HKAARN Cc1ccc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000001830677 557290999 /nfs/dbraw/zinc/29/09/99/557290999.db2.gz PFBXNRPMQBQYHB-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccccc1 ZINC000001830704 569056332 /nfs/dbraw/zinc/05/63/32/569056332.db2.gz UHLRMSNYGOIXOO-UHFFFAOYSA-N 0 0 404.897 5.576 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1cc(Cl)sc1Cl ZINC000001831958 557291085 /nfs/dbraw/zinc/29/10/85/557291085.db2.gz JIQQXAKADUQNFL-UHFFFAOYSA-N 0 0 415.392 5.913 50 0 HKAARN CCCCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000001832602 569056357 /nfs/dbraw/zinc/05/63/57/569056357.db2.gz LTTGHQIJMMFTFA-UHFFFAOYSA-N 0 0 402.567 6.022 50 0 HKAARN CCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000001832607 569056328 /nfs/dbraw/zinc/05/63/28/569056328.db2.gz OVLZKDVDDRCDNI-UHFFFAOYSA-N 0 0 401.601 5.936 50 0 HKAARN Cc1ccccc1-n1c(=O)c2c(nc1SC(C)C)-c1ccccc1CC21CCCC1 ZINC000001832773 557291295 /nfs/dbraw/zinc/29/12/95/557291295.db2.gz JULFXHZNNXRJHY-UHFFFAOYSA-N 0 0 416.590 6.076 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)C(C)C)C(=O)c2ccco2)cc1 ZINC000001832903 569056320 /nfs/dbraw/zinc/05/63/20/569056320.db2.gz YUCSSWJWNAQYBE-XMMPIXPASA-N 0 0 421.537 5.769 50 0 HKAARN COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)C(C)C)C(=O)c2ccco2)cc1 ZINC000001832904 569056337 /nfs/dbraw/zinc/05/63/37/569056337.db2.gz YUCSSWJWNAQYBE-DEOSSOPVSA-N 0 0 421.537 5.769 50 0 HKAARN c1ccc(-c2nc3sc4c(ncnc4NC4CCCCC4)c3c3c2CCC3)cc1 ZINC000001833300 569056371 /nfs/dbraw/zinc/05/63/71/569056371.db2.gz ORQCOIVDYAVINB-UHFFFAOYSA-N 0 0 400.551 6.140 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)c1ccccc1F)C(C)(C)c1ssc(=S)c1-2 ZINC000001833377 132248074 /nfs/dbraw/zinc/24/80/74/132248074.db2.gz PQBNYWDFFFBTHG-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN c1ccc(OCc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000001833578 557291297 /nfs/dbraw/zinc/29/12/97/557291297.db2.gz PGEQNMYPOLYINM-UHFFFAOYSA-N 0 0 418.456 5.784 50 0 HKAARN Cc1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001833758 557291269 /nfs/dbraw/zinc/29/12/69/557291269.db2.gz ARKJTTYIUWCNMO-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001833910 569056377 /nfs/dbraw/zinc/05/63/77/569056377.db2.gz FTSVDLSALSJWJZ-UHFFFAOYSA-N 0 0 416.637 5.826 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)cc1 ZINC000001834262 569056367 /nfs/dbraw/zinc/05/63/67/569056367.db2.gz MNMMBARPDWFDFC-UHFFFAOYSA-N 0 0 410.425 5.754 50 0 HKAARN CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001834333 557291310 /nfs/dbraw/zinc/29/13/10/557291310.db2.gz MSBHFLLZCNTNOL-UHFFFAOYSA-N 0 0 416.590 5.633 50 0 biogenic HKAARN CCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001834769 569056379 /nfs/dbraw/zinc/05/63/79/569056379.db2.gz GOHDMBTXUSWLHN-UHFFFAOYSA-N 0 0 416.590 6.078 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001835117 569056412 /nfs/dbraw/zinc/05/64/12/569056412.db2.gz KMCMJLRLIHKKKJ-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 HKAARN CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001835136 557291307 /nfs/dbraw/zinc/29/13/07/557291307.db2.gz IQRSYESZOOBQCG-UHFFFAOYSA-N 0 0 408.611 5.971 50 0 biogenic HKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c(OC)c1 ZINC000001835158 569056387 /nfs/dbraw/zinc/05/63/87/569056387.db2.gz YOKPRSNITFQXRL-NRFANRHFSA-N 0 0 407.447 5.858 50 0 HKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c(OC)c1 ZINC000001835159 569056404 /nfs/dbraw/zinc/05/64/04/569056404.db2.gz YOKPRSNITFQXRL-OAQYLSRUSA-N 0 0 407.447 5.858 50 0 HKAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000001835178 569056326 /nfs/dbraw/zinc/05/63/26/569056326.db2.gz POVDHGHJNWKLPS-MHZLTWQESA-N 0 0 420.464 6.092 50 0 HKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000001835179 569056306 /nfs/dbraw/zinc/05/63/06/569056306.db2.gz POVDHGHJNWKLPS-HHHXNRCGSA-N 0 0 420.464 6.092 50 0 HKAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000001835570 569056386 /nfs/dbraw/zinc/05/63/86/569056386.db2.gz CYKQKAJIAQZTHQ-FQEVSTJZSA-N 0 0 409.419 5.089 50 0 HKAARN CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000001835571 569056373 /nfs/dbraw/zinc/05/63/73/569056373.db2.gz CYKQKAJIAQZTHQ-HXUWFJFHSA-N 0 0 409.419 5.089 50 0 HKAARN CCOc1cc(-c2ccc(OC)cc2)cc(=Nc2cccc(C)c2)c2c(C)oc(C)c21 ZINC000001835681 569056400 /nfs/dbraw/zinc/05/64/00/569056400.db2.gz JHEVVWTXJZGWLK-UHFFFAOYSA-N 0 0 413.517 6.665 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001835812 569056406 /nfs/dbraw/zinc/05/64/06/569056406.db2.gz NTKDSGSUYVVPGW-UHFFFAOYSA-N 0 0 402.610 5.436 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)cc3Cl)sc1C(C)(C)N2 ZINC000001836215 557291265 /nfs/dbraw/zinc/29/12/65/557291265.db2.gz LXVXWOLENCJOCP-UHFFFAOYSA-N 0 0 423.390 6.911 50 0 HKAARN CC(C)c1cccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001836320 568838416 /nfs/dbraw/zinc/83/84/16/568838416.db2.gz VJWHGQAKDJJBOF-UHFFFAOYSA-N 0 0 418.924 5.919 50 0 HKAARN Cc1ccc2sc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000001836334 557291328 /nfs/dbraw/zinc/29/13/28/557291328.db2.gz HYWRRSFCWOVTAC-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN CCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001836975 569056411 /nfs/dbraw/zinc/05/64/11/569056411.db2.gz VKKUQXVORKNOGK-UHFFFAOYSA-N 0 0 416.590 6.160 50 0 HKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 ZINC000001837053 557291317 /nfs/dbraw/zinc/29/13/17/557291317.db2.gz MZMIAJPXUIHSID-UHFFFAOYSA-N 0 0 400.569 5.227 50 0 HKAARN Cc1cc(C)c(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000001837160 569056394 /nfs/dbraw/zinc/05/63/94/569056394.db2.gz XKKIYHORSWYRMG-UHFFFAOYSA-N 0 0 418.924 5.721 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccncc2)cc1 ZINC000001837167 557291325 /nfs/dbraw/zinc/29/13/25/557291325.db2.gz ZOYPHXNSFJYBGD-UHFFFAOYSA-N 0 0 414.578 6.228 50 0 HKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000001837349 557291355 /nfs/dbraw/zinc/29/13/55/557291355.db2.gz AFMGVVJEBTWMHZ-UHFFFAOYSA-N 0 0 418.928 5.977 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)cc3Cl)ccc2oc1C(C)(C)C ZINC000001837386 568838422 /nfs/dbraw/zinc/83/84/22/568838422.db2.gz XWYJSPYAHFWBMJ-UHFFFAOYSA-N 0 0 421.320 6.793 50 0 HKAARN Cc1cccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000001837455 569056378 /nfs/dbraw/zinc/05/63/78/569056378.db2.gz QEXNZCVJTSWBIA-UHFFFAOYSA-N 0 0 418.924 5.803 50 0 HKAARN Cc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000001837523 569056372 /nfs/dbraw/zinc/05/63/72/569056372.db2.gz IXMHTBHBQFRJOF-UHFFFAOYSA-N 0 0 406.913 6.046 50 0 HKAARN O=C(OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001837800 557291357 /nfs/dbraw/zinc/29/13/57/557291357.db2.gz NXJRTFURWXTURW-UHFFFAOYSA-N 0 0 418.290 6.021 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1Cl ZINC000001837828 557291321 /nfs/dbraw/zinc/29/13/21/557291321.db2.gz YJQZCFQJKMZUEA-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN O=C(Oc1ccc(OC(=O)c2ccccc2)c(C2CCCCC2)c1)c1ccccc1 ZINC000001838012 557291339 /nfs/dbraw/zinc/29/13/39/557291339.db2.gz KDBYUAGJTCKIBI-UHFFFAOYSA-N 0 0 400.474 6.173 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Cl)c1Cl ZINC000001838233 569056422 /nfs/dbraw/zinc/05/64/22/569056422.db2.gz DVKHPDPMJQPICA-UHFFFAOYSA-N 0 0 403.231 5.865 50 0 HKAARN CC(C)(C)c1cc(-c2nnc(-c3cccc(Br)c3)o2)cc(C(C)(C)C)c1 ZINC000001838566 557291610 /nfs/dbraw/zinc/29/16/10/557291610.db2.gz LTYBYYPDTFVYBK-UHFFFAOYSA-N 0 0 413.359 6.761 50 0 HKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1 ZINC000001839247 557291547 /nfs/dbraw/zinc/29/15/47/557291547.db2.gz QWSBBMLWISUIND-UHFFFAOYSA-N 0 0 423.950 5.744 50 0 HKAARN Cc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c(C)c1 ZINC000001839270 569056442 /nfs/dbraw/zinc/05/64/42/569056442.db2.gz JWUWXVGUAKFCHQ-UHFFFAOYSA-N 0 0 422.248 7.288 50 0 HKAARN Cc1c(OC(=O)c2ccccc2Cl)cccc1OC(=O)c1ccccc1Cl ZINC000001839394 569056477 /nfs/dbraw/zinc/05/64/77/569056477.db2.gz NRDVHIJMNMDZLJ-UHFFFAOYSA-N 0 0 401.245 5.740 50 0 HKAARN COc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1 ZINC000001839649 557291487 /nfs/dbraw/zinc/29/14/87/557291487.db2.gz GXADDOMJEKODJM-UHFFFAOYSA-N 0 0 424.220 6.680 50 0 HKAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001839708 557291543 /nfs/dbraw/zinc/29/15/43/557291543.db2.gz YRYDCVODOZFZHK-UHFFFAOYSA-N 0 0 422.480 5.972 50 0 HKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Br)c2ccccc2)cc1C ZINC000001839969 557291484 /nfs/dbraw/zinc/29/14/84/557291484.db2.gz AZRFKOPTTWSEOQ-JOCHJYFZSA-N 0 0 423.306 5.847 50 0 HKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Br)c2ccccc2)cc1C ZINC000001839970 557291525 /nfs/dbraw/zinc/29/15/25/557291525.db2.gz AZRFKOPTTWSEOQ-QFIPXVFZSA-N 0 0 423.306 5.847 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000001840256 557291600 /nfs/dbraw/zinc/29/16/00/557291600.db2.gz BXVODQFOXSSNKA-UHFFFAOYSA-N 0 0 403.231 5.865 50 0 HKAARN Cc1ccc(C(=O)[C@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001840258 569056440 /nfs/dbraw/zinc/05/64/40/569056440.db2.gz FEDPZWQLFDIRHM-MUUNZHRXSA-N 0 0 420.508 6.294 50 0 HKAARN Cc1ccc(C(=O)[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001840259 569056518 /nfs/dbraw/zinc/05/65/18/569056518.db2.gz FEDPZWQLFDIRHM-NDEPHWFRSA-N 0 0 420.508 6.294 50 0 HKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3ccccc3n2)cc1 ZINC000001840373 557291580 /nfs/dbraw/zinc/29/15/80/557291580.db2.gz YKIGQBYPQOEMMT-UHFFFAOYSA-N 0 0 409.485 5.867 50 0 HKAARN O=P(Nc1ccccc1F)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000001840477 560584202 /nfs/dbraw/zinc/58/42/02/560584202.db2.gz AZYJVEZOCACPGE-UHFFFAOYSA-N 0 0 412.184 6.811 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000001840483 569056511 /nfs/dbraw/zinc/05/65/11/569056511.db2.gz BVQNSWYZISLYIA-UHFFFAOYSA-N 0 0 406.448 5.737 50 0 HKAARN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1Br ZINC000001840531 557291534 /nfs/dbraw/zinc/29/15/34/557291534.db2.gz CUTPKIGDFJWLIY-NRFANRHFSA-N 0 0 409.279 5.539 50 0 HKAARN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1Br ZINC000001840532 557291529 /nfs/dbraw/zinc/29/15/29/557291529.db2.gz CUTPKIGDFJWLIY-OAQYLSRUSA-N 0 0 409.279 5.539 50 0 HKAARN Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1ccc(Cl)cc1)c3-c1ccccc1 ZINC000001840744 569056503 /nfs/dbraw/zinc/05/65/03/569056503.db2.gz BJAMHTPWTMMKKB-UHFFFAOYSA-N 0 0 414.844 6.399 50 0 biogenic HKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1C ZINC000001842663 557291848 /nfs/dbraw/zinc/29/18/48/557291848.db2.gz SNDQDPYKROMOMW-UHFFFAOYSA-N 0 0 423.512 6.175 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001843403 569056507 /nfs/dbraw/zinc/05/65/07/569056507.db2.gz WUZMPBCBZOTWMI-UHFFFAOYSA-N 0 0 400.569 5.109 50 0 HKAARN Cc1ccc(-c2ccc(OC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1 ZINC000001844515 557291876 /nfs/dbraw/zinc/29/18/76/557291876.db2.gz BJBPXYFVTSJGEU-UHFFFAOYSA-N 0 0 400.562 7.476 50 0 HKAARN CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001844782 557291832 /nfs/dbraw/zinc/29/18/32/557291832.db2.gz KKLXWWCDADEWKI-UHFFFAOYSA-N 0 0 402.490 5.603 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1sc2ccccc2c1Cl ZINC000001844935 557291882 /nfs/dbraw/zinc/29/18/82/557291882.db2.gz DNRKRPKFXQMCFI-UHFFFAOYSA-N 0 0 420.946 7.084 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)c(OC(=O)c2ccccc2Cl)cc1C ZINC000001846153 557291826 /nfs/dbraw/zinc/29/18/26/557291826.db2.gz MIZOXKKCNQPKCU-UHFFFAOYSA-N 0 0 414.288 6.082 50 0 HKAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000001846237 557291896 /nfs/dbraw/zinc/29/18/96/557291896.db2.gz YABCDQATBFLTGZ-UHFFFAOYSA-N 0 0 415.272 5.612 50 0 HKAARN Cc1ccc(-c2ccc(OC(=O)c3cccc(I)c3)cc2)cc1 ZINC000001846310 557291840 /nfs/dbraw/zinc/29/18/40/557291840.db2.gz RUBCJYMQPJTKFV-UHFFFAOYSA-N 0 0 414.242 5.486 50 0 HKAARN O=C(Oc1ccc(OC(=O)c2ccccc2Cl)c(Cl)c1)c1ccccc1Cl ZINC000001846339 569056521 /nfs/dbraw/zinc/05/65/21/569056521.db2.gz QZBYPWHTCLBTPU-UHFFFAOYSA-N 0 0 421.663 6.085 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000001846412 132248099 /nfs/dbraw/zinc/24/80/99/132248099.db2.gz HWDKQTSXGUIDTK-UHFFFAOYSA-N 0 0 406.448 5.735 50 0 HKAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000001846522 557291835 /nfs/dbraw/zinc/29/18/35/557291835.db2.gz APZFLYAEMNJIBZ-MRXNPFEDSA-N 0 0 402.519 6.393 50 0 HKAARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000001846524 557291888 /nfs/dbraw/zinc/29/18/88/557291888.db2.gz 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CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000001891533 557294673 /nfs/dbraw/zinc/29/46/73/557294673.db2.gz BNCCTFYEFXNVJV-UHFFFAOYSA-N 0 0 409.526 5.491 50 0 HKAARN COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 ZINC000001891911 560185223 /nfs/dbraw/zinc/18/52/23/560185223.db2.gz XXMDDBVNWRWNCW-UHFFFAOYSA-N 0 0 423.723 6.813 50 0 in-vitro HKAARN COC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 ZINC000001891935 569057123 /nfs/dbraw/zinc/05/71/23/569057123.db2.gz GLSTVFNFGNDIFN-UHFFFAOYSA-N 0 0 419.546 5.451 50 0 HKAARN CCCOC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000001892109 569057116 /nfs/dbraw/zinc/05/71/16/569057116.db2.gz ZEZSEEWRTUULNU-HPNDGRJYSA-N 0 0 417.892 6.552 50 0 HKAARN CCOC(=O)c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)c1 ZINC000001892112 569057082 /nfs/dbraw/zinc/05/70/82/569057082.db2.gz WVSQQSSSVLNRGK-YYADALCUSA-N 0 0 403.865 6.162 50 0 HKAARN CCCC(=O)Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000001892279 569057100 /nfs/dbraw/zinc/05/71/00/569057100.db2.gz FYIYNFRZYWPKTA-HPNDGRJYSA-N 0 0 417.892 6.691 50 0 HKAARN Cc1cc(C)c2c(c1)oc(-c1ccccc1)c/c2=N\c1ccc(Br)cc1 ZINC000001892296 569057125 /nfs/dbraw/zinc/05/71/25/569057125.db2.gz IWDSPNNLEOJARS-LKUDQCMESA-N 0 0 404.307 6.712 50 0 HKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Br)cc3)c2c1 ZINC000001892351 569057092 /nfs/dbraw/zinc/05/70/92/569057092.db2.gz OUIZCDVNJCUTSE-NJNXFGOHSA-N 0 0 404.307 6.657 50 0 HKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N4CCOCC4)cc3)c2c1 ZINC000001892393 535833290 /nfs/dbraw/zinc/83/32/90/535833290.db2.gz KCSVJOGLROQLJG-AZPGRJICSA-N 0 0 410.517 5.731 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(C(=O)OC)cc3)c2c1 ZINC000001892546 569057063 /nfs/dbraw/zinc/05/70/63/569057063.db2.gz VXAXTYIWWBOFDN-SLEBQGDGSA-N 0 0 413.473 5.690 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(N4CCCC4)cc3)c2c1 ZINC000001892571 568839612 /nfs/dbraw/zinc/83/96/12/568839612.db2.gz RLQCFSDDFBFANV-PBBVDAKRSA-N 0 0 424.544 6.503 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(NC(C)=O)cc3)c2c1 ZINC000001892581 568839630 /nfs/dbraw/zinc/83/96/30/568839630.db2.gz PGQKFQNDTXLINP-ZZIIXHQDSA-N 0 0 412.489 5.862 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(OC)cc3OC)c2c1 ZINC000001892585 569057104 /nfs/dbraw/zinc/05/71/04/569057104.db2.gz VSFACYIDICVGEM-SLEBQGDGSA-N 0 0 415.489 5.920 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(F)c(Cl)c3)c2c1 ZINC000001892589 569057066 /nfs/dbraw/zinc/05/70/66/569057066.db2.gz XOHDBWQMCPOFGL-HPNDGRJYSA-N 0 0 407.872 6.696 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3cccc(C(F)(F)F)c3)c2c1 ZINC000001892593 568839632 /nfs/dbraw/zinc/83/96/32/568839632.db2.gz ZBFMOCLIWOFPTR-QUPMIFSKSA-N 0 0 423.434 6.922 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(OC)c(OC)c3)c3c(C)cc(C)cc3o2)cc1 ZINC000001892621 569057101 /nfs/dbraw/zinc/05/71/01/569057101.db2.gz BEKXKBHCNXZOAN-SZXQPVLSSA-N 0 0 415.489 5.975 50 0 HKAARN CCOCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(Br)c1 ZINC000001893075 557294657 /nfs/dbraw/zinc/29/46/57/557294657.db2.gz SBRQGMBGTRLZAX-UHFFFAOYSA-N 0 0 418.209 5.235 50 0 HKAARN Cc1c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000001893446 557294660 /nfs/dbraw/zinc/29/46/60/557294660.db2.gz DPNNPKQTIZBDLK-UHFFFAOYSA-N 0 0 418.876 5.607 50 0 HKAARN Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001893449 557294667 /nfs/dbraw/zinc/29/46/67/557294667.db2.gz RQWMMUHMMUVBLC-IBGZPJMESA-N 0 0 412.485 5.651 50 0 biogenic HKAARN Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001893452 557294633 /nfs/dbraw/zinc/29/46/33/557294633.db2.gz RQWMMUHMMUVBLC-LJQANCHMSA-N 0 0 412.485 5.651 50 0 biogenic HKAARN Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893480 557294671 /nfs/dbraw/zinc/29/46/71/557294671.db2.gz ULLBIFWTKJSDHM-UHFFFAOYSA-N 0 0 404.849 5.684 50 0 HKAARN Cc1c(OCc2ccc(Br)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893490 569057098 /nfs/dbraw/zinc/05/70/98/569057098.db2.gz WWESSGZUYJZFDC-UHFFFAOYSA-N 0 0 421.290 6.110 50 0 HKAARN Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893492 557294598 /nfs/dbraw/zinc/29/45/98/557294598.db2.gz QFBVPEBBBODLAU-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893493 557294627 /nfs/dbraw/zinc/29/46/27/557294627.db2.gz UGZOPZQSHGTSTB-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN Cc1c(OCc2c(Cl)cccc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893496 557294651 /nfs/dbraw/zinc/29/46/51/557294651.db2.gz NQEXOKYIVDDXJB-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc(F)cc1 ZINC000001893512 569057075 /nfs/dbraw/zinc/05/70/75/569057075.db2.gz OZLDBAVAPFTSOY-UHFFFAOYSA-N 0 0 408.812 5.514 50 0 HKAARN O=C(c1ccccc1)N(CCN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001893835 557294881 /nfs/dbraw/zinc/29/48/81/557294881.db2.gz QONRTUMCXWVOIC-UHFFFAOYSA-N 0 0 420.512 5.680 50 0 HKAARN Cc1nc2sc3c(c2c(Sc2nc(C)nc4sc5c(c42)CCC5)n1)CCC3 ZINC000001895142 557294860 /nfs/dbraw/zinc/29/48/60/557294860.db2.gz FWSTTWGRJBCBDN-UHFFFAOYSA-N 0 0 410.593 5.441 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)c1ccc(-c2ccccc2)cc1 ZINC000001895178 557294868 /nfs/dbraw/zinc/29/48/68/557294868.db2.gz YFLCRWCHGDXKNW-UHFFFAOYSA-N 0 0 402.544 5.822 50 0 HKAARN Cc1cc2nnc(Sc3nc(C)nc4sc5c(c43)CCCC5)n2c2ccccc12 ZINC000001895194 557294830 /nfs/dbraw/zinc/29/48/30/557294830.db2.gz YSWVOZFAGYICFM-UHFFFAOYSA-N 0 0 417.563 5.534 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(F)c(F)c1 ZINC000001895221 557294959 /nfs/dbraw/zinc/29/49/59/557294959.db2.gz DHZZZEBCNZJAOC-UHFFFAOYSA-N 0 0 415.461 5.739 50 0 HKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc2ccccc21 ZINC000001895230 557294843 /nfs/dbraw/zinc/29/48/43/557294843.db2.gz VQEFBQCBIRLRRV-UHFFFAOYSA-N 0 0 419.477 6.136 50 0 HKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(Cc5ccccc5)cc4)c23)cc1C ZINC000001895233 557294900 /nfs/dbraw/zinc/29/49/00/557294900.db2.gz ZMJJRKYMFQICHE-UHFFFAOYSA-N 0 0 422.553 7.358 50 0 HKAARN Cc1cc2nnc(Sc3ncnc4sc5c(c43)CC[C@H](C)C5)n2c2ccccc12 ZINC000001895234 568840088 /nfs/dbraw/zinc/84/00/88/568840088.db2.gz VFSVYVZXRAMXFK-LBPRGKRZSA-N 0 0 417.563 5.472 50 0 HKAARN Cc1cc2nnc(Sc3ncnc4sc5c(c43)CC[C@@H](C)C5)n2c2ccccc12 ZINC000001895235 568840112 /nfs/dbraw/zinc/84/01/12/568840112.db2.gz VFSVYVZXRAMXFK-GFCCVEGCSA-N 0 0 417.563 5.472 50 0 HKAARN c1ccc(COc2ccc(Oc3ncnc4sc5c(c43)CCCCC5)cc2)cc1 ZINC000001895258 557294914 /nfs/dbraw/zinc/29/49/14/557294914.db2.gz SRWQFXKMQYMAOO-UHFFFAOYSA-N 0 0 402.519 6.332 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)/C=C/c1ccco1 ZINC000001895300 557294846 /nfs/dbraw/zinc/29/48/46/557294846.db2.gz VYZRCKKXOWLNLA-OUKQBFOZSA-N 0 0 423.534 6.134 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)c2ccc4ccccc4c2)n1)CCCC3 ZINC000001895319 557294816 /nfs/dbraw/zinc/29/48/16/557294816.db2.gz IEQPBIZPPXWDEW-UHFFFAOYSA-N 0 0 404.560 6.007 50 0 HKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCO1 ZINC000001895338 569057099 /nfs/dbraw/zinc/05/70/99/569057099.db2.gz MPNHWOUULXYWCX-HXUWFJFHSA-N 0 0 421.518 5.376 50 0 HKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCO1 ZINC000001895340 569057154 /nfs/dbraw/zinc/05/71/54/569057154.db2.gz MPNHWOUULXYWCX-FQEVSTJZSA-N 0 0 421.518 5.376 50 0 HKAARN c1ccc(COc2ccc(Oc3nc(-c4ccccc4)nc4ccccc43)cc2)cc1 ZINC000001895350 557294890 /nfs/dbraw/zinc/29/48/90/557294890.db2.gz SZZVTWWVIDELEJ-UHFFFAOYSA-N 0 0 404.469 6.668 50 0 HKAARN Cc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1C ZINC000001895532 557294852 /nfs/dbraw/zinc/29/48/52/557294852.db2.gz XKGPRAASXNJTOF-UHFFFAOYSA-N 0 0 400.425 6.786 50 0 HKAARN Cc1ccc(-c2nnc(Oc3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000001895534 569057174 /nfs/dbraw/zinc/05/71/74/569057174.db2.gz OBDIZKSDHLLKMA-UHFFFAOYSA-N 0 0 418.496 6.977 50 0 HKAARN CCc1nc2sc3c(c2c(Sc2nnc4sc5ccccc5n24)n1)CCCC3 ZINC000001895556 557294865 /nfs/dbraw/zinc/29/48/65/557294865.db2.gz ACTCZUULKLAXKT-UHFFFAOYSA-N 0 0 423.592 5.541 50 0 HKAARN O=c1c2c(nc(SCc3ccccc3F)n1-c1ccccc1)sc1c2CCC1 ZINC000001895585 557294857 /nfs/dbraw/zinc/29/48/57/557294857.db2.gz IKPVJVPIVRXZOF-UHFFFAOYSA-N 0 0 408.523 5.367 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC[C@H](C)C2 ZINC000001895615 569057129 /nfs/dbraw/zinc/05/71/29/569057129.db2.gz NJBVNQSRRARNLN-HNNXBMFYSA-N 0 0 407.535 5.384 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC[C@@H](C)C2 ZINC000001895617 568840145 /nfs/dbraw/zinc/84/01/45/568840145.db2.gz NJBVNQSRRARNLN-OAHLLOKOSA-N 0 0 407.535 5.384 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001895790 569057187 /nfs/dbraw/zinc/05/71/87/569057187.db2.gz UQKYXTJNUWOGHP-UHFFFAOYSA-N 0 0 402.563 5.688 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000001895990 132248528 /nfs/dbraw/zinc/24/85/28/132248528.db2.gz JHVYITMLHFSSMS-SANMLTNESA-N 0 0 419.590 5.987 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000001895993 132248513 /nfs/dbraw/zinc/24/85/13/132248513.db2.gz JHVYITMLHFSSMS-AREMUKBSSA-N 0 0 419.590 5.987 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc21 ZINC000001896228 569057173 /nfs/dbraw/zinc/05/71/73/569057173.db2.gz GQUAMAPLHDGDDV-UHFFFAOYSA-N 0 0 415.514 5.926 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc21 ZINC000001896237 569057181 /nfs/dbraw/zinc/05/71/81/569057181.db2.gz SFKATHKKPPAPAW-UHFFFAOYSA-N 0 0 401.487 5.536 50 0 HKAARN COc1ccc(CSc2nnc(SCc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000001896308 557295172 /nfs/dbraw/zinc/29/51/72/557295172.db2.gz COEBNXSXONQDDE-UHFFFAOYSA-N 0 0 416.637 6.429 50 0 HKAARN O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000001896393 569057143 /nfs/dbraw/zinc/05/71/43/569057143.db2.gz UOILWVIASYOOBH-IBGZPJMESA-N 0 0 410.844 7.058 50 0 HKAARN O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000001896397 568840140 /nfs/dbraw/zinc/84/01/40/568840140.db2.gz UOILWVIASYOOBH-LJQANCHMSA-N 0 0 410.844 7.058 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000001897919 569057152 /nfs/dbraw/zinc/05/71/52/569057152.db2.gz OWQYIPUDKKHGOM-UHFFFAOYSA-N 0 0 408.910 5.902 50 0 HKAARN CCCc1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1CCCC2 ZINC000001898789 569057243 /nfs/dbraw/zinc/05/72/43/569057243.db2.gz NYQJPVFRIBHECE-UHFFFAOYSA-N 0 0 419.619 6.406 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCc1ccccc1-3 ZINC000001898872 569057258 /nfs/dbraw/zinc/05/72/58/569057258.db2.gz FRXKTVIVTVRBCF-UHFFFAOYSA-N 0 0 404.560 5.715 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)c3ccccc3)c2c1 ZINC000001899884 557295195 /nfs/dbraw/zinc/29/51/95/557295195.db2.gz IMQXFUMHIQHCLC-UHFFFAOYSA-N 0 0 415.876 5.903 50 0 HKAARN Cn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000001900341 557295208 /nfs/dbraw/zinc/29/52/08/557295208.db2.gz HXNWIOIJTCQNRT-UHFFFAOYSA-N 0 0 402.563 5.150 50 0 biogenic HKAARN CSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001901641 557295217 /nfs/dbraw/zinc/29/52/17/557295217.db2.gz QCZNPFNCBDJERF-UHFFFAOYSA-N 0 0 402.563 5.688 50 0 biogenic HKAARN Cc1cccc2c1NC(C)(C)c1sn(-c3ccc(Cl)c(Cl)c3)c(=S)c1-2 ZINC000001901785 557295181 /nfs/dbraw/zinc/29/51/81/557295181.db2.gz GCVCZNCYZWIHOS-UHFFFAOYSA-N 0 0 407.391 7.211 50 0 HKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000001901866 557295213 /nfs/dbraw/zinc/29/52/13/557295213.db2.gz CTKQLIRSNBBSJM-UHFFFAOYSA-N 0 0 402.473 5.463 50 0 HKAARN Cc1cccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CCCC2)c1 ZINC000001902318 569057410 /nfs/dbraw/zinc/05/74/10/569057410.db2.gz QUXYRPQXRLYJEB-UHFFFAOYSA-N 0 0 418.587 5.927 50 0 HKAARN Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001902667 557295193 /nfs/dbraw/zinc/29/51/93/557295193.db2.gz RPHWAUIXGWZKLK-UHFFFAOYSA-N 0 0 410.338 5.255 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000001902677 557295206 /nfs/dbraw/zinc/29/52/06/557295206.db2.gz ZTHLQJOOYMJKSA-UHFFFAOYSA-N 0 0 410.469 5.601 50 0 HKAARN Cc1cc(OCC(=O)c2ccc(-c3ccccc3)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000001902678 557295468 /nfs/dbraw/zinc/29/54/68/557295468.db2.gz NLQLLZQPLAZRST-UHFFFAOYSA-N 0 0 410.469 5.519 50 0 HKAARN Cc1cc(OCC(=O)c2ccc(-c3ccccc3)cc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001902686 557295496 /nfs/dbraw/zinc/29/54/96/557295496.db2.gz ZCDALPZMDXRGNY-UHFFFAOYSA-N 0 0 424.496 5.909 50 0 HKAARN Cc1c(OCC(=O)c2ccc(-c3ccccc3)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001902689 557295539 /nfs/dbraw/zinc/29/55/39/557295539.db2.gz UYGWEFIGAVELHR-UHFFFAOYSA-N 0 0 424.496 5.909 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1ccc(OC)cc1)oc(=O)c1c2CCCC1 ZINC000001902731 569057529 /nfs/dbraw/zinc/05/75/29/569057529.db2.gz RCJDLUHHFPOLCW-UHFFFAOYSA-N 0 0 420.549 6.382 50 0 biogenic HKAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc2ccccc2c1 ZINC000001902740 557295405 /nfs/dbraw/zinc/29/54/05/557295405.db2.gz PZZCZGVQMJZZQO-UHFFFAOYSA-N 0 0 418.876 5.740 50 0 HKAARN Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001902742 557295441 /nfs/dbraw/zinc/29/54/41/557295441.db2.gz IMKXHSYUNJNNFO-UHFFFAOYSA-N 0 0 420.464 6.183 50 0 HKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000001902748 569057458 /nfs/dbraw/zinc/05/74/58/569057458.db2.gz CEGUMRPBMFHUJT-UHFFFAOYSA-N 0 0 412.913 6.139 50 0 biogenic HKAARN Cc1cc(OCC(=O)c2ccc(F)cc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001902763 569060428 /nfs/dbraw/zinc/06/04/28/569060428.db2.gz PNQCECPMOZENOO-UHFFFAOYSA-N 0 0 416.448 5.401 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O ZINC000001902779 569057462 /nfs/dbraw/zinc/05/74/62/569057462.db2.gz JAXAPKLUAGWOFU-UHFFFAOYSA-N 0 0 418.455 6.822 50 0 HKAARN Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001902799 569057485 /nfs/dbraw/zinc/05/74/85/569057485.db2.gz NTGBHWGTSWGWGP-UHFFFAOYSA-N 0 0 410.391 6.366 50 0 HKAARN CCc1cc2c(cc1OCc1cccc(C(F)(F)F)c1)oc(=O)cc2-c1ccccc1 ZINC000001902802 569057489 /nfs/dbraw/zinc/05/74/89/569057489.db2.gz MDRYEWCYTGGOMJ-UHFFFAOYSA-N 0 0 424.418 6.620 50 0 HKAARN Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001902810 569057507 /nfs/dbraw/zinc/05/75/07/569057507.db2.gz HPUIRPFZUFNDQK-UHFFFAOYSA-N 0 0 410.391 6.366 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)c1c2CCCC1 ZINC000001902811 569057486 /nfs/dbraw/zinc/05/74/86/569057486.db2.gz UVVCTSLJHMZKQD-UHFFFAOYSA-N 0 0 420.549 6.382 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 ZINC000001902814 568840114 /nfs/dbraw/zinc/84/01/14/568840114.db2.gz BIXGQXNMIAHWPN-UHFFFAOYSA-N 0 0 400.858 5.405 50 0 HKAARN Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001902821 557295551 /nfs/dbraw/zinc/29/55/51/557295551.db2.gz KAEWTHCUNPDQBV-UHFFFAOYSA-N 0 0 420.848 5.730 50 0 HKAARN Cc1cc(OCc2cc3c(cc2Cl)OCO3)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001902833 557295373 /nfs/dbraw/zinc/29/53/73/557295373.db2.gz BYKOEODFRGXWJI-UHFFFAOYSA-N 0 0 420.848 5.730 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2SCc2ccccc2)cc1 ZINC000001902964 557295544 /nfs/dbraw/zinc/29/55/44/557295544.db2.gz PNXNKIIVIUSSPP-UHFFFAOYSA-N 0 0 421.543 5.775 50 0 HKAARN COc1ccccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001903367 557295419 /nfs/dbraw/zinc/29/54/19/557295419.db2.gz NHRDEHWUZDDTJM-UHFFFAOYSA-N 0 0 423.896 5.377 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CCCC2 ZINC000001903799 569322034 /nfs/dbraw/zinc/32/20/34/569322034.db2.gz HUOCNPLMIHDXOQ-UHFFFAOYSA-N 0 0 415.555 5.253 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001903990 557295430 /nfs/dbraw/zinc/29/54/30/557295430.db2.gz NWJKCANOTOGOCO-CSKARUKUSA-N 0 0 424.349 5.762 50 0 HKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000001904083 568840297 /nfs/dbraw/zinc/84/02/97/568840297.db2.gz KSHFTTNJLPZHDQ-ZDUSSCGKSA-N 0 0 421.632 5.250 50 0 HKAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000001904087 569057734 /nfs/dbraw/zinc/05/77/34/569057734.db2.gz KSHFTTNJLPZHDQ-CYBMUJFWSA-N 0 0 421.632 5.250 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2 ZINC000001904273 557295509 /nfs/dbraw/zinc/29/55/09/557295509.db2.gz RNTHGIGUDUIUAM-UHFFFAOYSA-N 0 0 405.519 5.184 50 0 HKAARN CCCCCCOc1ccc(C=CC(=O)Nc2nc(C)c(C(C)=O)s2)cc1OC ZINC000001904316 568840122 /nfs/dbraw/zinc/84/01/22/568840122.db2.gz RPSLDIUWIYFAEG-ZRDIBKRKSA-N 0 0 416.543 5.274 50 0 HKAARN CCCCc1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)s1 ZINC000001904390 569057748 /nfs/dbraw/zinc/05/77/48/569057748.db2.gz BSLBRGHRHZBVEC-WYMLVPIESA-N 0 0 423.538 5.120 50 0 HKAARN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC ZINC000001904455 560583632 /nfs/dbraw/zinc/58/36/32/560583632.db2.gz QEJHLUNYRKRBTM-FMIVXFBMSA-N 0 0 422.550 5.876 50 0 HKAARN CCCOc1ccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000001904532 569057732 /nfs/dbraw/zinc/05/77/32/569057732.db2.gz GHVYESLOWNUHTG-MHWRWJLKSA-N 0 0 418.489 5.682 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000001904704 569057744 /nfs/dbraw/zinc/05/77/44/569057744.db2.gz HPUKJCMCNNUFJX-JTQLQIEISA-N 0 0 412.338 5.609 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000001904706 569057747 /nfs/dbraw/zinc/05/77/47/569057747.db2.gz HPUKJCMCNNUFJX-SNVBAGLBSA-N 0 0 412.338 5.609 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 ZINC000001904756 557295425 /nfs/dbraw/zinc/29/54/25/557295425.db2.gz BCSYAPITFTWDKX-UHFFFAOYSA-N 0 0 420.484 5.438 50 0 HKAARN Cc1c(OCc2cccc(Br)c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001904759 569057753 /nfs/dbraw/zinc/05/77/53/569057753.db2.gz AMDUELFTUCNUGO-UHFFFAOYSA-N 0 0 421.290 6.110 50 0 HKAARN Cc1cccc(Oc2c(=O)c3ccc(OC(=O)C(C)(C)C)cc3oc2C(F)(F)F)c1 ZINC000001904813 557295473 /nfs/dbraw/zinc/29/54/73/557295473.db2.gz JHPGJWUPXKEAET-UHFFFAOYSA-N 0 0 420.383 5.864 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccc(F)cc1 ZINC000001906341 569057817 /nfs/dbraw/zinc/05/78/17/569057817.db2.gz SZAQYAZTUJPFJE-UHFFFAOYSA-N 0 0 422.887 5.715 50 0 HKAARN CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@@](C)(CC)C3 ZINC000001906475 569057799 /nfs/dbraw/zinc/05/77/99/569057799.db2.gz CIOZZOWLZHJUJL-DEOSSOPVSA-N 0 0 423.582 5.223 50 0 HKAARN CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@](C)(CC)C3 ZINC000001906478 569057847 /nfs/dbraw/zinc/05/78/47/569057847.db2.gz CIOZZOWLZHJUJL-XMMPIXPASA-N 0 0 423.582 5.223 50 0 HKAARN Cc1ccc2sc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 ZINC000001908404 557295805 /nfs/dbraw/zinc/29/58/05/557295805.db2.gz NAWMEXVOSWRJPX-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(c1ccccc1)c1ccccc1 ZINC000001908494 557295808 /nfs/dbraw/zinc/29/58/08/557295808.db2.gz PCCRSEBWEGGETI-UHFFFAOYSA-N 0 0 418.949 6.158 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C(c1ccccc1)c1ccccc1 ZINC000001908498 557295768 /nfs/dbraw/zinc/29/57/68/557295768.db2.gz XDKZDZFCEXQYSN-UHFFFAOYSA-N 0 0 418.949 6.158 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001909316 569057946 /nfs/dbraw/zinc/05/79/46/569057946.db2.gz PVXNIRUMROUTCD-VAWYXSNFSA-N 0 0 411.910 5.897 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000001909324 557295780 /nfs/dbraw/zinc/29/57/80/557295780.db2.gz VFPXDTPKMPATGK-UHFFFAOYSA-N 0 0 421.924 6.020 50 0 HKAARN CCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000001909326 569057948 /nfs/dbraw/zinc/05/79/48/569057948.db2.gz FBZROPODNFMSMY-UHFFFAOYSA-N 0 0 407.897 5.541 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl ZINC000001909338 569057993 /nfs/dbraw/zinc/05/79/93/569057993.db2.gz BVGRKOXJJNOKHV-UHFFFAOYSA-N 0 0 414.288 5.550 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000001909343 569057970 /nfs/dbraw/zinc/05/79/70/569057970.db2.gz IMNNJJPUMWDTAW-UHFFFAOYSA-N 0 0 407.897 5.712 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1Br ZINC000001909359 569057944 /nfs/dbraw/zinc/05/79/44/569057944.db2.gz JNYVQLUPPGTDFP-UHFFFAOYSA-N 0 0 414.686 5.586 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000001910186 557295783 /nfs/dbraw/zinc/29/57/83/557295783.db2.gz KTOMOEURSMKMRR-BMRADRMJSA-N 0 0 409.485 6.079 50 0 HKAARN Clc1ccc(COc2ccc(Nc3ncnc4sc5c(c43)CCCC5)cc2)cc1 ZINC000001910377 557295776 /nfs/dbraw/zinc/29/57/76/557295776.db2.gz TVZYONKKALXFOQ-UHFFFAOYSA-N 0 0 421.953 6.546 50 0 HKAARN C[C@@H](C(=O)OCc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000001910385 557296055 /nfs/dbraw/zinc/29/60/55/557296055.db2.gz MXHKFNCACXOUJE-AWEZNQCLSA-N 0 0 424.909 5.083 50 0 HKAARN C[C@H](C(=O)OCc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000001910387 557296050 /nfs/dbraw/zinc/29/60/50/557296050.db2.gz MXHKFNCACXOUJE-CQSZACIVSA-N 0 0 424.909 5.083 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c(Cl)c1 ZINC000001910513 557295940 /nfs/dbraw/zinc/29/59/40/557295940.db2.gz CILITBMFQLDAEG-UHFFFAOYSA-N 0 0 424.766 6.034 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(Cl)c1 ZINC000001910515 557295991 /nfs/dbraw/zinc/29/59/91/557295991.db2.gz HKBCDMLNTXOABW-UHFFFAOYSA-N 0 0 407.941 6.300 50 0 HKAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000001911117 569058930 /nfs/dbraw/zinc/05/89/30/569058930.db2.gz OBFSKLJWJLJOFE-UHFFFAOYSA-N 0 0 403.526 5.708 50 0 HKAARN CCOC(=O)c1c(Nc2cccc(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911185 568840417 /nfs/dbraw/zinc/84/04/17/568840417.db2.gz CGTNZDGUKUUYAW-UHFFFAOYSA-N 0 0 409.489 6.039 50 0 HKAARN CCOC(=O)c1c(Nc2ccc(C)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911187 569058919 /nfs/dbraw/zinc/05/89/19/569058919.db2.gz FIDMWZLARBXILM-UHFFFAOYSA-N 0 0 409.489 6.039 50 0 HKAARN CCOC(=O)c1c(Nc2ccc(C)c(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911190 569058912 /nfs/dbraw/zinc/05/89/12/569058912.db2.gz RUBNXEFLUMYWAC-UHFFFAOYSA-N 0 0 423.516 6.348 50 0 aggregator HKAARN CCOC(=O)c1c(Nc2cc(C)cc(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911194 569059212 /nfs/dbraw/zinc/05/92/12/569059212.db2.gz RBNKHERIMIOKMW-UHFFFAOYSA-N 0 0 423.516 6.348 50 0 aggregator HKAARN CCOC(=O)c1c(Nc2ccc(F)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911196 569059242 /nfs/dbraw/zinc/05/92/42/569059242.db2.gz GOXRVQPFAPQBSW-UHFFFAOYSA-N 0 0 413.452 5.870 50 0 HKAARN CCOC(=O)c1c(Nc2cccc(O)c2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911198 569059226 /nfs/dbraw/zinc/05/92/26/569059226.db2.gz HACXRSOETIMJGJ-UHFFFAOYSA-N 0 0 411.461 5.437 50 0 HKAARN CCOC(=O)c1c(Nc2ccc(O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911202 568840475 /nfs/dbraw/zinc/84/04/75/568840475.db2.gz VZYWTHIYOUMYJT-UHFFFAOYSA-N 0 0 411.461 5.437 50 0 HKAARN CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000001911459 569059179 /nfs/dbraw/zinc/05/91/79/569059179.db2.gz JCXJUUMZJYRONP-XYOKQWHBSA-N 0 0 406.309 5.531 50 0 HKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000001911472 557295950 /nfs/dbraw/zinc/29/59/50/557295950.db2.gz GMWAFEQBRNELQV-UHFFFAOYSA-N 0 0 420.484 5.438 50 0 HKAARN CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000001911474 557295970 /nfs/dbraw/zinc/29/59/70/557295970.db2.gz VIBKVAIDIGIRHY-UHFFFAOYSA-N 0 0 416.521 5.607 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000001911544 568840443 /nfs/dbraw/zinc/84/04/43/568840443.db2.gz WHIKLDKQVZKYKF-UHFFFAOYSA-N 0 0 421.496 5.985 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccc(Cl)cc1Cl ZINC000001911844 557295975 /nfs/dbraw/zinc/29/59/75/557295975.db2.gz DZDCXMRJUBYJMG-UHFFFAOYSA-N 0 0 409.363 5.852 50 0 HKAARN CCc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000001911863 557296042 /nfs/dbraw/zinc/29/60/42/557296042.db2.gz VTBAXZFXWPRUGD-UHFFFAOYSA-N 0 0 405.548 5.652 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c(C)c1 ZINC000001911865 557295998 /nfs/dbraw/zinc/29/59/98/557295998.db2.gz XIZJGWRRKQYLAS-UHFFFAOYSA-N 0 0 405.548 5.706 50 0 HKAARN Cc1ccc(-c2csc3ncn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 ZINC000001911939 557296056 /nfs/dbraw/zinc/29/60/56/557296056.db2.gz YOXUYEARMISKOX-UHFFFAOYSA-N 0 0 401.318 5.789 50 0 HKAARN COc1ccc(-c2csc3ncn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 ZINC000001911949 557295944 /nfs/dbraw/zinc/29/59/44/557295944.db2.gz QOVWCLLIQBQVLD-UHFFFAOYSA-N 0 0 417.317 5.489 50 0 HKAARN CCCOc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000001911975 557296023 /nfs/dbraw/zinc/29/60/23/557296023.db2.gz SWYRHIIIMZLJAX-UHFFFAOYSA-N 0 0 410.926 5.616 50 0 HKAARN CCCOc1ccc(-c2csc3ncn(Cc4ccccc4Cl)c(=O)c23)cc1 ZINC000001911976 557296013 /nfs/dbraw/zinc/29/60/13/557296013.db2.gz PMYPWQJBIWITPB-UHFFFAOYSA-N 0 0 410.926 5.616 50 0 HKAARN CCCOc1ccc(-c2csc3ncn(Cc4cccc(Cl)c4)c(=O)c23)cc1 ZINC000001911991 557295929 /nfs/dbraw/zinc/29/59/29/557295929.db2.gz KAFCHFOCTPLIOS-UHFFFAOYSA-N 0 0 410.926 5.616 50 0 HKAARN CCCOc1ccc(-c2csc3ncn(CCCc4ccccc4)c(=O)c23)cc1 ZINC000001912012 557295980 /nfs/dbraw/zinc/29/59/80/557295980.db2.gz LXBDQKUCPSDJJQ-UHFFFAOYSA-N 0 0 404.535 5.547 50 0 HKAARN CCOC(=O)c1cccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(C)cc32)c1 ZINC000001912113 569059191 /nfs/dbraw/zinc/05/91/91/569059191.db2.gz HCRUZHBFDOZYAE-SLEBQGDGSA-N 0 0 413.473 5.826 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(Br)cc3)c3cc(C)ccc3o2)cc1 ZINC000001912140 569059153 /nfs/dbraw/zinc/05/91/53/569059153.db2.gz KUMAFKSQIWFHGK-NJNXFGOHSA-N 0 0 420.306 6.412 50 0 HKAARN Clc1ccc(-c2nc3ccccc3c(NC3CCCCCCCCCCC3)n2)cc1 ZINC000001912241 557296309 /nfs/dbraw/zinc/29/63/09/557296309.db2.gz BQUCLRSZYVKXIP-UHFFFAOYSA-N 0 0 422.016 8.035 50 0 HKAARN Clc1ccc(-c2nc3ccccc3c(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000001912250 568840474 /nfs/dbraw/zinc/84/04/74/568840474.db2.gz VKLMWXASUNVKHV-UHFFFAOYSA-N 0 0 423.903 7.486 50 0 HKAARN O=C(OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21)c1cccs1 ZINC000001912317 569059215 /nfs/dbraw/zinc/05/92/15/569059215.db2.gz NDCWJNQSXMXMPR-UHFFFAOYSA-N 0 0 423.925 5.671 50 0 HKAARN O=C(OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccncc1 ZINC000001912319 569059222 /nfs/dbraw/zinc/05/92/22/569059222.db2.gz RIPXBMBNDTWTKH-UHFFFAOYSA-N 0 0 418.884 5.004 50 0 HKAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(Nc2ccccc2)cc1 ZINC000001912396 569059223 /nfs/dbraw/zinc/05/92/23/569059223.db2.gz GOEAYEGFUUBESS-UHFFFAOYSA-N 0 0 411.505 6.516 50 0 HKAARN CCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc2c1 ZINC000001913156 569059216 /nfs/dbraw/zinc/05/92/16/569059216.db2.gz QSGFPNZOJWRKFK-UHFFFAOYSA-N 0 0 412.791 6.436 50 0 HKAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000001913381 569059250 /nfs/dbraw/zinc/05/92/50/569059250.db2.gz LHSXNTHFTCTIFK-UHFFFAOYSA-N 0 0 402.425 6.087 50 0 HKAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Nc2ccccc2)cc1 ZINC000001913384 569059251 /nfs/dbraw/zinc/05/92/51/569059251.db2.gz VXPQVEVSWHPWAX-UHFFFAOYSA-N 0 0 401.441 6.038 50 0 HKAARN CCOc1ccc(-c2csc3ncn(Cc4c(F)cccc4Cl)c(=O)c23)cc1 ZINC000001913479 557296255 /nfs/dbraw/zinc/29/62/55/557296255.db2.gz OIIKHFFKJJYHRO-UHFFFAOYSA-N 0 0 414.889 5.365 50 0 HKAARN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000001914111 557296270 /nfs/dbraw/zinc/29/62/70/557296270.db2.gz ZDMOVQVXOHLCPQ-UHFFFAOYSA-N 0 0 421.924 5.986 50 0 HKAARN CC[C@@H](C)OC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001915047 568840633 /nfs/dbraw/zinc/84/06/33/568840633.db2.gz JMJQZSJOBVPLRY-MRXNPFEDSA-N 0 0 424.493 5.603 50 0 HKAARN CC[C@H](C)OC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001915049 569059324 /nfs/dbraw/zinc/05/93/24/569059324.db2.gz JMJQZSJOBVPLRY-INIZCTEOSA-N 0 0 424.493 5.603 50 0 HKAARN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001915057 569059309 /nfs/dbraw/zinc/05/93/09/569059309.db2.gz GSHOHWXKMGGJOT-ZIAGYGMSSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001915060 569059301 /nfs/dbraw/zinc/05/93/01/569059301.db2.gz GSHOHWXKMGGJOT-UONOGXRCSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001915062 568840675 /nfs/dbraw/zinc/84/06/75/568840675.db2.gz GSHOHWXKMGGJOT-KGLIPLIRSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001915063 569059287 /nfs/dbraw/zinc/05/92/87/569059287.db2.gz GSHOHWXKMGGJOT-KBPBESRZSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001915066 569059311 /nfs/dbraw/zinc/05/93/11/569059311.db2.gz YWZCCWZVIIJDLL-ZIAGYGMSSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001915067 569059308 /nfs/dbraw/zinc/05/93/08/569059308.db2.gz YWZCCWZVIIJDLL-UONOGXRCSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001915069 569059282 /nfs/dbraw/zinc/05/92/82/569059282.db2.gz YWZCCWZVIIJDLL-KGLIPLIRSA-N 0 0 400.858 5.222 50 0 HKAARN CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001915071 569059275 /nfs/dbraw/zinc/05/92/75/569059275.db2.gz YWZCCWZVIIJDLL-KBPBESRZSA-N 0 0 400.858 5.222 50 0 HKAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000001915127 568840647 /nfs/dbraw/zinc/84/06/47/568840647.db2.gz MIBGNZNOBIZRDK-UHFFFAOYSA-N 0 0 420.848 5.479 50 0 biogenic HKAARN Cc1cccc(Oc2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)c1 ZINC000001915159 557296241 /nfs/dbraw/zinc/29/62/41/557296241.db2.gz LMADMHJEHFGSCJ-UHFFFAOYSA-N 0 0 410.828 6.265 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCc4cccc5ccccc54)ccc3c2=O)cc1 ZINC000001915165 569059289 /nfs/dbraw/zinc/05/92/89/569059289.db2.gz OCPUTCWNWFDJHI-UHFFFAOYSA-N 0 0 422.480 6.880 50 0 HKAARN CC(C)(C)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000001915182 569059291 /nfs/dbraw/zinc/05/92/91/569059291.db2.gz MMHJCJUEZATVQV-UHFFFAOYSA-N 0 0 418.464 6.601 50 0 HKAARN CC(C)c1ccccc1Oc1coc2cc(OCc3ccccc3F)ccc2c1=O ZINC000001915185 569059300 /nfs/dbraw/zinc/05/93/00/569059300.db2.gz WRSCMSGABDPEHR-UHFFFAOYSA-N 0 0 404.437 6.427 50 0 HKAARN Cc1ccccc1COc1ccc2c(c1)occ(Oc1ccccc1C(C)C)c2=O ZINC000001915210 569059298 /nfs/dbraw/zinc/05/92/98/569059298.db2.gz RPQFDUQOTSTAFD-UHFFFAOYSA-N 0 0 400.474 6.596 50 0 HKAARN COc1ccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1 ZINC000001915232 557296291 /nfs/dbraw/zinc/29/62/91/557296291.db2.gz GDDPOCHUYYNWQL-UHFFFAOYSA-N 0 0 402.446 5.606 50 0 HKAARN Cc1cc(C)cc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)c1 ZINC000001915235 568840564 /nfs/dbraw/zinc/84/05/64/568840564.db2.gz QQOWFEPJHPWLEY-UHFFFAOYSA-N 0 0 400.474 6.214 50 0 HKAARN Cc1ccc(C)c(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)c1 ZINC000001915239 569059302 /nfs/dbraw/zinc/05/93/02/569059302.db2.gz LKUQASBTBBOTGF-UHFFFAOYSA-N 0 0 400.474 6.214 50 0 HKAARN CCc1ccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1 ZINC000001915241 569059313 /nfs/dbraw/zinc/05/93/13/569059313.db2.gz UJUUPOLAUQBOBU-UHFFFAOYSA-N 0 0 400.474 6.159 50 0 HKAARN Cc1cc(C)c(C)c(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 ZINC000001915412 569059281 /nfs/dbraw/zinc/05/92/81/569059281.db2.gz BVZRCVWYSUBTRU-UHFFFAOYSA-N 0 0 404.437 6.229 50 0 HKAARN CCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000001915415 568840651 /nfs/dbraw/zinc/84/06/51/568840651.db2.gz YJGKMGLAGBTWKJ-QGZVFWFLSA-N 0 0 410.466 5.231 50 0 HKAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000001915418 568840668 /nfs/dbraw/zinc/84/06/68/568840668.db2.gz YJGKMGLAGBTWKJ-KRWDZBQOSA-N 0 0 410.466 5.231 50 0 HKAARN CCCCOC(=O)COc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000001915420 569059285 /nfs/dbraw/zinc/05/92/85/569059285.db2.gz KDYVPABOUFVAJT-UHFFFAOYSA-N 0 0 410.466 5.233 50 0 HKAARN C[C@H]1CCc2c(sc3ncnc(SCc4cccc(Br)c4)c32)C1 ZINC000001915516 557296231 /nfs/dbraw/zinc/29/62/31/557296231.db2.gz LXRKVFCSVXDODU-NSHDSACASA-N 0 0 405.386 5.871 50 0 HKAARN C[C@@H]1CCc2c(sc3ncnc(SCc4cccc(Br)c4)c32)C1 ZINC000001915518 557296320 /nfs/dbraw/zinc/29/63/20/557296320.db2.gz LXRKVFCSVXDODU-LLVKDONJSA-N 0 0 405.386 5.871 50 0 HKAARN O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c21)c1ccc(Cl)cc1 ZINC000001915564 569059305 /nfs/dbraw/zinc/05/93/05/569059305.db2.gz SQKANQGGUKAQGI-UHFFFAOYSA-N 0 0 414.914 6.126 50 0 HKAARN Fc1ccc(-c2csc3ncnc(SCc4c(Cl)cccc4Cl)c23)cc1 ZINC000001915566 557296339 /nfs/dbraw/zinc/29/63/39/557296339.db2.gz HDZJGXPXMSGNNG-UHFFFAOYSA-N 0 0 421.349 7.097 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H](C)C(=O)OC2CCCCC2)cc1 ZINC000001916108 569059292 /nfs/dbraw/zinc/05/92/92/569059292.db2.gz 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ZINC000001916382 568840642 /nfs/dbraw/zinc/84/06/42/568840642.db2.gz OXVBKIRHSSSPFY-UHFFFAOYSA-N 0 0 424.566 5.914 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C)sc(C)c1-c1ccccc1 ZINC000001916456 569059319 /nfs/dbraw/zinc/05/93/19/569059319.db2.gz WPTWQHGEIOGEAI-UHFFFAOYSA-N 0 0 423.534 5.535 50 0 HKAARN Cc1cc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1Cl ZINC000001916525 569059297 /nfs/dbraw/zinc/05/92/97/569059297.db2.gz VAAHGHBAECUHOJ-UHFFFAOYSA-N 0 0 424.880 5.298 50 0 HKAARN COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1 ZINC000001916654 569059279 /nfs/dbraw/zinc/05/92/79/569059279.db2.gz KKFLNPKOOCRRTJ-HIXSDJFHSA-N 0 0 406.279 6.103 50 0 HKAARN CCCCCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001917325 569059341 /nfs/dbraw/zinc/05/93/41/569059341.db2.gz YXWAGSLJOHLIGO-UHFFFAOYSA-N 0 0 409.313 6.375 50 0 HKAARN Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001917350 557296535 /nfs/dbraw/zinc/29/65/35/557296535.db2.gz KTPYAIBQSPOJTH-UHFFFAOYSA-N 0 0 424.408 5.094 50 0 HKAARN O=C1C(Cl)=C(Oc2ccc(-c3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000001917440 569059362 /nfs/dbraw/zinc/05/93/62/569059362.db2.gz IWYINCLVSDZSQC-UHFFFAOYSA-N 0 0 410.256 5.410 50 0 HKAARN c1ccc2[nH]c(SCc3cccc(CSc4nc5ccccc5[nH]4)c3)nc2c1 ZINC000001918383 568840650 /nfs/dbraw/zinc/84/06/50/568840650.db2.gz BLTGRBUBFAAZNC-UHFFFAOYSA-N 0 0 402.548 6.024 50 0 HKAARN O=C(c1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001919937 557296556 /nfs/dbraw/zinc/29/65/56/557296556.db2.gz RPACBFMRZRVDIX-UHFFFAOYSA-N 0 0 424.110 6.762 50 0 HKAARN CCO[P@](=O)(C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl)c1ccccc1 ZINC000001921282 569059598 /nfs/dbraw/zinc/05/95/98/569059598.db2.gz IZJXSBPPKSPIKH-VWLOTQADSA-N 0 0 418.644 5.314 50 0 HKAARN CCO[P@@](=O)(C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl)c1ccccc1 ZINC000001921284 569059633 /nfs/dbraw/zinc/05/96/33/569059633.db2.gz IZJXSBPPKSPIKH-RUZDIDTESA-N 0 0 418.644 5.314 50 0 HKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001921605 569059665 /nfs/dbraw/zinc/05/96/65/569059665.db2.gz DQKPRDKYSOMPIE-UHFFFAOYSA-N 0 0 408.693 6.544 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc2ccccc21 ZINC000001921897 569059631 /nfs/dbraw/zinc/05/96/31/569059631.db2.gz NJHFGTZIMLNFOJ-UHFFFAOYSA-N 0 0 401.487 5.997 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001921938 569059623 /nfs/dbraw/zinc/05/96/23/569059623.db2.gz RVXMMWMYZHIGOY-AWEZNQCLSA-N 0 0 403.519 5.467 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001921940 569059635 /nfs/dbraw/zinc/05/96/35/569059635.db2.gz RVXMMWMYZHIGOY-CQSZACIVSA-N 0 0 403.519 5.467 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001921949 569059664 /nfs/dbraw/zinc/05/96/64/569059664.db2.gz OQTBJCQDRGNGHY-ZDUSSCGKSA-N 0 0 403.519 5.467 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001921951 569059657 /nfs/dbraw/zinc/05/96/57/569059657.db2.gz OQTBJCQDRGNGHY-CYBMUJFWSA-N 0 0 403.519 5.467 50 0 HKAARN 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/nfs/dbraw/zinc/29/70/02/557297002.db2.gz ZTRCOCGUBQBJGT-OAHLLOKOSA-N 0 0 405.519 5.579 50 0 HKAARN O=c1c2ccc(OCc3cccc4ccccc43)cc2occ1-c1ccc(Cl)cc1 ZINC000001940910 569059906 /nfs/dbraw/zinc/05/99/06/569059906.db2.gz XUVUPYXMAZOCKV-UHFFFAOYSA-N 0 0 412.872 6.846 50 0 HKAARN Cc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c(C)c1 ZINC000001941533 557297421 /nfs/dbraw/zinc/29/74/21/557297421.db2.gz MCGKVQRBJVZKJB-UHFFFAOYSA-N 0 0 413.473 5.403 50 0 HKAARN Cc1sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccc(C)cc1 ZINC000001942730 557297288 /nfs/dbraw/zinc/29/72/88/557297288.db2.gz LUJWHKQRAYATTN-UHFFFAOYSA-N 0 0 415.345 6.097 50 0 HKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cccc(C)c1 ZINC000001944024 569059884 /nfs/dbraw/zinc/05/98/84/569059884.db2.gz RHZUGLRWAAXHML-UHFFFAOYSA-N 0 0 413.470 5.057 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C)c1-c1ccccc1 ZINC000001944196 569059905 /nfs/dbraw/zinc/05/99/05/569059905.db2.gz ZRCZWHLYDNTEKI-UHFFFAOYSA-N 0 0 409.507 5.226 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001944439 557297367 /nfs/dbraw/zinc/29/73/67/557297367.db2.gz OBSHZMYJIGVFST-HNNXBMFYSA-N 0 0 415.555 5.093 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001944440 557297410 /nfs/dbraw/zinc/29/74/10/557297410.db2.gz OBSHZMYJIGVFST-OAHLLOKOSA-N 0 0 415.555 5.093 50 0 HKAARN CN(C)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)cc1 ZINC000001944664 569059898 /nfs/dbraw/zinc/05/98/98/569059898.db2.gz RYTHVMWEPAXTMJ-NJNXFGOHSA-N 0 0 419.322 6.161 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001945683 569059909 /nfs/dbraw/zinc/05/99/09/569059909.db2.gz RJUQWAJKYPZEJX-KRWDZBQOSA-N 0 0 413.583 5.647 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001945684 569059849 /nfs/dbraw/zinc/05/98/49/569059849.db2.gz RJUQWAJKYPZEJX-QGZVFWFLSA-N 0 0 413.583 5.647 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001945749 557297404 /nfs/dbraw/zinc/29/74/04/557297404.db2.gz KMNMIEAIZURHIO-AWEZNQCLSA-N 0 0 419.974 5.982 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001945750 557297375 /nfs/dbraw/zinc/29/73/75/557297375.db2.gz KMNMIEAIZURHIO-CQSZACIVSA-N 0 0 419.974 5.982 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000001946057 569059846 /nfs/dbraw/zinc/05/98/46/569059846.db2.gz TYAMLZIHIGHSQB-ACCUITESSA-N 0 0 419.546 6.169 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C)(C)C ZINC000001946301 569059892 /nfs/dbraw/zinc/05/98/92/569059892.db2.gz PVUXHVLQZIIVSP-UHFFFAOYSA-N 0 0 410.333 5.339 50 0 HKAARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccc(Cl)c1 ZINC000001946605 569059943 /nfs/dbraw/zinc/05/99/43/569059943.db2.gz CBRWERDBZMAMDV-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccc(Cl)c1 ZINC000001946607 569059917 /nfs/dbraw/zinc/05/99/17/569059917.db2.gz BITXZBTVLKLMDW-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000001946689 557297337 /nfs/dbraw/zinc/29/73/37/557297337.db2.gz CPXGGODXGYPZRS-UHFFFAOYSA-N 0 0 401.112 6.223 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 ZINC000001948619 557297326 /nfs/dbraw/zinc/29/73/26/557297326.db2.gz YPWRTCCFJTWPPD-UHFFFAOYSA-N 0 0 406.121 6.643 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccccc1Cl ZINC000001948831 557297351 /nfs/dbraw/zinc/29/73/51/557297351.db2.gz XDALOCAIVFZTCF-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 ZINC000001949673 569059922 /nfs/dbraw/zinc/05/99/22/569059922.db2.gz MNGZENBQZQQTLM-WUKNDPDISA-N 0 0 410.498 5.693 50 0 HKAARN Clc1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c(Cl)c1 ZINC000001956293 557297656 /nfs/dbraw/zinc/29/76/56/557297656.db2.gz SQIFXODHCWOOKO-UHFFFAOYSA-N 0 0 400.696 7.001 50 0 HKAARN Clc1ccc2c(c1)C(Cl)C(=CN=Nc1c(Cl)cncc1Cl)CS2 ZINC000001957753 559274304 /nfs/dbraw/zinc/27/43/04/559274304.db2.gz GRHLNUXTBMJGLL-IPBDZQFASA-N 0 0 405.137 6.195 50 0 HKAARN CNc1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001958644 569059934 /nfs/dbraw/zinc/05/99/34/569059934.db2.gz DBZALILOCDUVKJ-UHFFFAOYSA-N 0 0 417.701 5.176 50 0 HKAARN NN=c1nc(Nc2cccc3ccccc32)[nH]c(N(c2ccccc2)c2ccccc2)n1 ZINC000001959584 557297939 /nfs/dbraw/zinc/29/79/39/557297939.db2.gz BXBMRXHDLDIYHW-UHFFFAOYSA-N 0 0 419.492 5.524 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cccc(Cl)c1 ZINC000001960765 569060023 /nfs/dbraw/zinc/06/00/23/569060023.db2.gz FGFLYNLZELRPTK-UHFFFAOYSA-N 0 0 405.837 5.131 50 0 biogenic HKAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1Cl ZINC000001960814 569060005 /nfs/dbraw/zinc/06/00/05/569060005.db2.gz AWRTWGYLMDVLAO-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 biogenic HKAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001962037 569060035 /nfs/dbraw/zinc/06/00/35/569060035.db2.gz ZYYDGVXSHNLEQV-UHFFFAOYSA-N 0 0 403.906 5.403 50 0 HKAARN O=c1oc2cc(OCc3cccc(Br)c3)c(Cl)cc2c2c1CCC2 ZINC000001962040 557298099 /nfs/dbraw/zinc/29/80/99/557298099.db2.gz VIAJRTJEHSOBEA-UHFFFAOYSA-N 0 0 405.675 5.277 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Br)c3)cc2o1 ZINC000001962047 557298004 /nfs/dbraw/zinc/29/80/04/557298004.db2.gz JMIIJAMCWQNKCY-UHFFFAOYSA-N 0 0 407.263 5.802 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cccc2ccccc21 ZINC000001962079 569059988 /nfs/dbraw/zinc/05/99/88/569059988.db2.gz LLVMTSCDGHQNLF-UHFFFAOYSA-N 0 0 421.452 5.631 50 0 HKAARN COc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)cc1 ZINC000001965557 569059980 /nfs/dbraw/zinc/05/99/80/569059980.db2.gz WOLUDUQBPFYRDL-UHFFFAOYSA-N 0 0 417.317 5.489 50 0 HKAARN O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc(OCc3ccccc3)ccc21 ZINC000001966315 569060003 /nfs/dbraw/zinc/06/00/03/569060003.db2.gz YRHKFDHTDMVZOG-UHFFFAOYSA-N 0 0 420.464 6.831 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001966401 557298382 /nfs/dbraw/zinc/29/83/82/557298382.db2.gz LFQVZTUPTVRSOO-UHFFFAOYSA-N 0 0 421.562 6.450 50 0 HKAARN COc1ccccc1NC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000001971115 569059979 /nfs/dbraw/zinc/05/99/79/569059979.db2.gz KOBRJTSXLVIHOP-AWEZNQCLSA-N 0 0 421.547 5.486 50 0 HKAARN COc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000001971116 569059985 /nfs/dbraw/zinc/05/99/85/569059985.db2.gz KOBRJTSXLVIHOP-CQSZACIVSA-N 0 0 421.547 5.486 50 0 HKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccco1)C(c1ccccc1)c1ccccc1 ZINC000001972168 569277801 /nfs/dbraw/zinc/27/78/01/569277801.db2.gz FAMQIDAAORDTNK-UHFFFAOYSA-N 0 0 422.436 5.791 50 0 HKAARN O=C(COc1ccccc1)Oc1c(=O)c2ccccc2oc1-c1ccccc1Cl ZINC000001972267 569060047 /nfs/dbraw/zinc/06/00/47/569060047.db2.gz ISWUXASSAKMXBW-UHFFFAOYSA-N 0 0 406.821 5.098 50 0 HKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccccc2Cl)cc1 ZINC000001972302 569060051 /nfs/dbraw/zinc/06/00/51/569060051.db2.gz KLEYXWPIYGGTHZ-UHFFFAOYSA-N 0 0 406.821 5.341 50 0 HKAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000001973167 569060068 /nfs/dbraw/zinc/06/00/68/569060068.db2.gz CRHLMNBPPSZXSB-UHFFFAOYSA-N 0 0 403.906 5.403 50 0 HKAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000001973239 569060046 /nfs/dbraw/zinc/06/00/46/569060046.db2.gz AQWUBHUBPFOKEJ-UHFFFAOYSA-N 0 0 423.468 5.941 50 0 HKAARN O=C(COc1ccc2oc(-c3ccco3)cc(=O)c2c1)Nc1cccc2ccccc21 ZINC000001978228 557298592 /nfs/dbraw/zinc/29/85/92/557298592.db2.gz OQFZNYVHBUHARZ-UHFFFAOYSA-N 0 0 411.413 5.224 50 0 HKAARN CC(C)OC(=O)c1ccc(COc2c(=O)c3ccccc3oc2-c2ccco2)cc1 ZINC000001978261 568841681 /nfs/dbraw/zinc/84/16/81/568841681.db2.gz LKHAKTUJANBAST-UHFFFAOYSA-N 0 0 404.418 5.197 50 0 HKAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)OCc1ccccc1 ZINC000001978324 557298618 /nfs/dbraw/zinc/29/86/18/557298618.db2.gz IULDRTRMQJFCDY-UHFFFAOYSA-N 0 0 420.848 5.236 50 0 HKAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000001978843 557298579 /nfs/dbraw/zinc/29/85/79/557298579.db2.gz WHQUHHFMZSNPEJ-UHFFFAOYSA-N 0 0 412.228 5.381 50 0 HKAARN COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc(C)c1-c1ccccc1 ZINC000001979661 560558949 /nfs/dbraw/zinc/55/89/49/560558949.db2.gz QOQLDFPFMYYKIT-UHFFFAOYSA-N 0 0 409.507 5.144 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001984612 568841720 /nfs/dbraw/zinc/84/17/20/568841720.db2.gz YLVUCNRLWCROBA-INIZCTEOSA-N 0 0 403.906 5.483 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001984613 569060079 /nfs/dbraw/zinc/06/00/79/569060079.db2.gz YLVUCNRLWCROBA-MRXNPFEDSA-N 0 0 403.906 5.483 50 0 HKAARN C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001984730 568841736 /nfs/dbraw/zinc/84/17/36/568841736.db2.gz VPZBURHQYPMYFJ-AWEZNQCLSA-N 0 0 414.288 5.844 50 0 HKAARN C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001984731 568841689 /nfs/dbraw/zinc/84/16/89/568841689.db2.gz VPZBURHQYPMYFJ-CQSZACIVSA-N 0 0 414.288 5.844 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000001984787 569060053 /nfs/dbraw/zinc/06/00/53/569060053.db2.gz XVAYITKUBVFUSL-KRWDZBQOSA-N 0 0 417.933 5.792 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000001984788 569060042 /nfs/dbraw/zinc/06/00/42/569060042.db2.gz XVAYITKUBVFUSL-QGZVFWFLSA-N 0 0 417.933 5.792 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cccc(C)c1C ZINC000001986316 569060043 /nfs/dbraw/zinc/06/00/43/569060043.db2.gz CBQKGYCMDKICSZ-UHFFFAOYSA-N 0 0 409.507 5.226 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001993593 569060141 /nfs/dbraw/zinc/06/01/41/569060141.db2.gz BPEJIHBTYPILIQ-UHFFFAOYSA-N 0 0 401.506 5.125 50 0 HKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc2ccccc21 ZINC000001994628 557298942 /nfs/dbraw/zinc/29/89/42/557298942.db2.gz YHPVYZMRBAXBAW-UHFFFAOYSA-N 0 0 411.071 6.254 50 0 HKAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc(Cl)c1Cl ZINC000001995066 569060367 /nfs/dbraw/zinc/06/03/67/569060367.db2.gz WOKAMAXMUHNPSQ-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1c(Cl)cccc1Cl ZINC000002004431 560185459 /nfs/dbraw/zinc/18/54/59/560185459.db2.gz HVIHYFPILKEGDC-UHFFFAOYSA-N 0 0 400.290 5.215 50 0 in-vitro HKAARN Cc1c(Br)c(Br)c(C)c(Br)c1Br ZINC000002015107 557299184 /nfs/dbraw/zinc/29/91/84/557299184.db2.gz RXKOKVQKECXYOT-UHFFFAOYSA-N 0 0 421.752 5.353 50 0 HKAARN Nc1ccc(Sc2ccc(Cc3ccc(Sc4ccc(N)cc4)cc3)cc2)cc1 ZINC000002023176 557299441 /nfs/dbraw/zinc/29/94/41/557299441.db2.gz BAWCPYMXVTWMEG-UHFFFAOYSA-N 0 0 414.599 6.744 50 0 HKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(CCCC)cc3)cc2)nc1 ZINC000002023810 557299523 /nfs/dbraw/zinc/29/95/23/557299523.db2.gz GVFBAICLMPVPOJ-UHFFFAOYSA-N 0 0 400.566 7.076 50 0 HKAARN CCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000002024153 569064445 /nfs/dbraw/zinc/06/44/45/569064445.db2.gz ZVALFFDVVOUYII-UHFFFAOYSA-N 0 0 403.478 5.487 50 0 HKAARN CCCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000002024161 569064439 /nfs/dbraw/zinc/06/44/39/569064439.db2.gz CVRTZKZPICHZQN-UHFFFAOYSA-N 0 0 417.505 5.877 50 0 HKAARN O=C(Oc1ccc(Cc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000002024466 569065141 /nfs/dbraw/zinc/06/51/41/569065141.db2.gz PBIJJZDWKLQVLT-UHFFFAOYSA-N 0 0 408.453 5.716 50 0 HKAARN Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000002025197 557299430 /nfs/dbraw/zinc/29/94/30/557299430.db2.gz JRFAZHZGGHAARJ-UHFFFAOYSA-N 0 0 403.279 5.946 50 0 HKAARN CCCCCCCOc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000002025351 559274599 /nfs/dbraw/zinc/27/45/99/559274599.db2.gz BHYZGXMZBQQHNB-LTGZKZEYSA-N 0 0 408.454 5.289 50 0 HKAARN CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cc(Br)ccc1O2 ZINC000002025762 569066116 /nfs/dbraw/zinc/06/61/16/569066116.db2.gz MUWVUQCERYZVPL-DEOSSOPVSA-N 0 0 418.334 6.681 50 0 HKAARN CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cc(Br)ccc1O2 ZINC000002025769 569066122 /nfs/dbraw/zinc/06/61/22/569066122.db2.gz MUWVUQCERYZVPL-XMMPIXPASA-N 0 0 418.334 6.681 50 0 HKAARN C(=C/c1ccc(-c2ccccc2)cc1)\c1ccc(/C=C/c2ccc3ccccc3c2)cc1 ZINC000002025934 569066198 /nfs/dbraw/zinc/06/61/98/569066198.db2.gz VCCFSSSXTTZRDM-JLXBFWJWSA-N 0 0 408.544 8.848 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000002026251 569066806 /nfs/dbraw/zinc/06/68/06/569066806.db2.gz VZSQUTMWYAPECC-UHFFFAOYSA-N 0 0 414.288 5.875 50 0 HKAARN CC(C)c1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 ZINC000002026323 569066817 /nfs/dbraw/zinc/06/68/17/569066817.db2.gz JFHRWAKKCLNRMX-UHFFFAOYSA-N 0 0 414.530 6.978 50 0 HKAARN CC(C)(C)c1cc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc(C(C)(C)C)c1 ZINC000002026343 557299478 /nfs/dbraw/zinc/29/94/78/557299478.db2.gz LKKXLJVHIDZNFJ-UHFFFAOYSA-N 0 0 416.561 7.080 50 0 HKAARN CCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 ZINC000002026387 568843074 /nfs/dbraw/zinc/84/30/74/568843074.db2.gz PBFRHLCRMATNFJ-UHFFFAOYSA-N 0 0 402.925 7.457 50 0 HKAARN CCCCCCc1cc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2cc1O ZINC000002026498 569066807 /nfs/dbraw/zinc/06/68/07/569066807.db2.gz ARIFNKLOEVCFRE-UHFFFAOYSA-N 0 0 420.534 6.489 50 0 biogenic HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000002026512 569066767 /nfs/dbraw/zinc/06/67/67/569066767.db2.gz KVJRTGZJWLQKSF-UHFFFAOYSA-N 0 0 406.215 5.755 50 0 HKAARN O=C1OC(c2ccccc2)=NC1=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000002026767 557299468 /nfs/dbraw/zinc/29/94/68/557299468.db2.gz RSBHOLGAOUTXMM-UHFFFAOYSA-N 0 0 407.494 6.073 50 0 HKAARN CC(C)(C)Oc1ncc(-c2cc(Cl)cc(Br)c2)c(OC(C)(C)C)n1 ZINC000002027079 557299371 /nfs/dbraw/zinc/29/93/71/557299371.db2.gz WOXVMSWTCRXXFJ-UHFFFAOYSA-N 0 0 413.743 5.914 50 0 HKAARN COc1ccc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000002027245 569068616 /nfs/dbraw/zinc/06/86/16/569068616.db2.gz RTEHBMUCORAUQD-UHFFFAOYSA-N 0 0 409.327 5.483 50 0 HKAARN COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1Br ZINC000002027260 569068614 /nfs/dbraw/zinc/06/86/14/569068614.db2.gz FYFUTFXQLONNOK-UHFFFAOYSA-N 0 0 409.327 5.483 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002027713 569068781 /nfs/dbraw/zinc/06/87/81/569068781.db2.gz IQNQZVKVGNHWNZ-UHFFFAOYSA-N 0 0 416.546 6.703 50 0 HKAARN Nc1ccc(-c2sc(-c3ccc(N)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002027882 557299826 /nfs/dbraw/zinc/29/98/26/557299826.db2.gz RQXOOKSFELPROF-UHFFFAOYSA-N 0 0 418.565 7.581 50 0 HKAARN COc1ccc(C=O)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000002027916 557299818 /nfs/dbraw/zinc/29/98/18/557299818.db2.gz XIXCSLNZWBYGHA-UHFFFAOYSA-N 0 0 414.499 6.354 50 0 HKAARN Oc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 ZINC000002028067 569068794 /nfs/dbraw/zinc/06/87/94/569068794.db2.gz CEJDEVWYXSISLC-UHFFFAOYSA-N 0 0 410.698 6.690 50 0 HKAARN O=C(Oc1ccc2ccccc2c1)c1cccc(C(=O)Oc2ccc3ccccc3c2)c1 ZINC000002028838 568843027 /nfs/dbraw/zinc/84/30/27/568843027.db2.gz FTZCFBYHKRWBOU-UHFFFAOYSA-N 0 0 418.448 6.431 50 0 HKAARN O=C(Oc1ccccc1)c1ccc(Oc2ccc(C(=O)Oc3ccccc3)cc2)cc1 ZINC000002029108 557299759 /nfs/dbraw/zinc/29/97/59/557299759.db2.gz IGAMXLXXKPNRAC-UHFFFAOYSA-N 0 0 410.425 5.917 50 0 biogenic HKAARN CCCc1oc2cc(OC(C)C)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000002029167 569068891 /nfs/dbraw/zinc/06/88/91/569068891.db2.gz DHCRHJWVABIBQU-UHFFFAOYSA-N 0 0 422.521 5.923 50 0 biogenic HKAARN CCCCCCc1cc2c(cc1OC)occ(-c1ccc(Br)cc1)c2=O ZINC000002029175 569068898 /nfs/dbraw/zinc/06/88/98/569068898.db2.gz ZORFHJVMZUIRGT-UHFFFAOYSA-N 0 0 415.327 6.354 50 0 HKAARN CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccccc4)cc3)cc2)nc1 ZINC000002029342 569069015 /nfs/dbraw/zinc/06/90/15/569069015.db2.gz MMHFOXCUBBBCSS-UHFFFAOYSA-N 0 0 421.540 7.368 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1C ZINC000002029447 557299751 /nfs/dbraw/zinc/29/97/51/557299751.db2.gz DTXJKUZICAETJN-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CCOC(=O)c1cc(CC)sc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002029501 557299704 /nfs/dbraw/zinc/29/97/04/557299704.db2.gz NTPFMIPOGZJWEO-UHFFFAOYSA-N 0 0 421.518 5.848 50 0 HKAARN COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc4cc(OC)ccc43)O2)cc1 ZINC000002029706 557299672 /nfs/dbraw/zinc/29/96/72/557299672.db2.gz DDXQQPIXIJBNOF-UHFFFAOYSA-N 0 0 424.496 6.215 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc2ccccc21 ZINC000002029722 569069057 /nfs/dbraw/zinc/06/90/57/569069057.db2.gz TYXOVNZDSIRPKN-UHFFFAOYSA-N 0 0 406.510 6.883 50 0 HKAARN Cc1ccc(-c2nc(NC(=O)c3cccc4ccccc43)sc2-c2ccccc2)cc1 ZINC000002029724 569069035 /nfs/dbraw/zinc/06/90/35/569069035.db2.gz VEMXQMMCTLCBNO-UHFFFAOYSA-N 0 0 420.537 7.191 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1 ZINC000002030244 569070045 /nfs/dbraw/zinc/07/00/45/569070045.db2.gz FSUBUFBMTSEMGN-UHFFFAOYSA-N 0 0 421.500 7.023 50 0 HKAARN O=C1N=C(c2ccccc2)O/C1=C/c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002030245 569070002 /nfs/dbraw/zinc/07/00/02/569070002.db2.gz RDUHJWMCXXSXNC-LGUFXXKBSA-N 0 0 401.465 6.365 50 0 HKAARN O=C1N=C(c2ccccc2)O/C1=C\c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002030247 569070015 /nfs/dbraw/zinc/07/00/15/569070015.db2.gz RDUHJWMCXXSXNC-XHPQRKPJSA-N 0 0 401.465 6.365 50 0 HKAARN CCCCCCOc1ccc(OC(=O)c2cccc(I)c2)cc1 ZINC000002030419 557299726 /nfs/dbraw/zinc/29/97/26/557299726.db2.gz LSFMMGOWYPLICN-UHFFFAOYSA-N 0 0 424.278 5.470 50 0 biogenic HKAARN CCCCCCc1ccc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002030505 557299800 /nfs/dbraw/zinc/29/98/00/557299800.db2.gz MWARVMODYISAID-UHFFFAOYSA-N 0 0 408.549 7.072 50 0 HKAARN CN(C)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002030563 569070048 /nfs/dbraw/zinc/07/00/48/569070048.db2.gz JJYDNWTWWOKIFU-UHFFFAOYSA-N 0 0 416.528 6.334 50 0 HKAARN CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000002030808 569070057 /nfs/dbraw/zinc/07/00/57/569070057.db2.gz SYVVBGOGAWSMSG-UHFFFAOYSA-N 0 0 402.925 7.457 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000002030886 560584134 /nfs/dbraw/zinc/58/41/34/560584134.db2.gz ZJZUMZOFGCTXRF-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C(=O)c2ccccc2)c1 ZINC000002031197 560584131 /nfs/dbraw/zinc/58/41/31/560584131.db2.gz ZCCRWVBVOUALMK-UHFFFAOYSA-N 0 0 407.469 6.271 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000002031204 569070119 /nfs/dbraw/zinc/07/01/19/569070119.db2.gz ZEHJJMUVOAECCQ-UHFFFAOYSA-N 0 0 406.894 6.508 50 0 HKAARN CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000002031509 569070084 /nfs/dbraw/zinc/07/00/84/569070084.db2.gz GXKJDNSQZWPCKJ-UHFFFAOYSA-N 0 0 417.549 6.879 50 0 HKAARN CN(C)P(=O)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N(C)C ZINC000002039568 559274663 /nfs/dbraw/zinc/27/46/63/559274663.db2.gz RBBJXBKKZWSEHR-UHFFFAOYSA-N 0 0 400.457 5.564 50 0 HKAARN Fc1cccc(-c2nc3cc(-c4ccc5oc(-c6cccc(F)c6)nc5c4)ccc3o2)c1 ZINC000002048871 557300089 /nfs/dbraw/zinc/30/00/89/557300089.db2.gz YHWLWOOCRGEAJJ-UHFFFAOYSA-N 0 0 424.406 7.248 50 0 HKAARN Fc1ccc(-c2nc3cc(-c4ccc5oc(-c6ccc(F)cc6)nc5c4)ccc3o2)cc1 ZINC000002048875 569072078 /nfs/dbraw/zinc/07/20/78/569072078.db2.gz UGYMQAJAENUELM-UHFFFAOYSA-N 0 0 424.406 7.248 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000002048895 557300071 /nfs/dbraw/zinc/30/00/71/557300071.db2.gz AYXDXVGGAIDTQI-IGBULTJHSA-N 0 0 402.663 6.792 50 0 HKAARN CN1c2ccccc2C(C)(C)[C@]12Oc1ccc3ccccc3c1N=C2c1ccccc1 ZINC000002048912 557300077 /nfs/dbraw/zinc/30/00/77/557300077.db2.gz BNSXMCUMDVXZHZ-NDEPHWFRSA-N 0 0 404.513 6.477 50 0 HKAARN CN1c2ccccc2C(C)(C)[C@@]12Oc1ccc3ccccc3c1N=C2c1ccccc1 ZINC000002048915 557300354 /nfs/dbraw/zinc/30/03/54/557300354.db2.gz BNSXMCUMDVXZHZ-MUUNZHRXSA-N 0 0 404.513 6.477 50 0 HKAARN O=C1OC(c2ccccc2)=NC1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000002048918 560584045 /nfs/dbraw/zinc/58/40/45/560584045.db2.gz UGNFEHIRBTWEJK-UHFFFAOYSA-N 0 0 410.300 5.521 50 0 HKAARN COC(=O)C[C@@H](c1ccccc1)[C@H](SCc1ccccc1)[C@H](O)c1ccccc1 ZINC000002049207 557300310 /nfs/dbraw/zinc/30/03/10/557300310.db2.gz CYKNIQPTNMENKI-CAOCKLPOSA-N 0 0 406.547 5.369 50 0 HKAARN CC(C)Cc1ccc(/C=C/C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000002049297 132248504 /nfs/dbraw/zinc/24/85/04/132248504.db2.gz VTGACCVNKISPMX-VAWYXSNFSA-N 0 0 416.487 5.266 50 0 HKAARN Fc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 ZINC000002049927 557300374 /nfs/dbraw/zinc/30/03/74/557300374.db2.gz RFWGUHZKIJCTPT-UHFFFAOYSA-N 0 0 420.285 6.456 50 0 HKAARN Brc1ccc(-c2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002049930 557300303 /nfs/dbraw/zinc/30/03/03/557300303.db2.gz NUKDKKFNBPESNR-UHFFFAOYSA-N 0 0 403.279 6.365 50 0 HKAARN Brc1ccc(-c2nc(Nc3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002049937 557300318 /nfs/dbraw/zinc/30/03/18/557300318.db2.gz RSWURJAORJNDCG-UHFFFAOYSA-N 0 0 402.295 6.317 50 0 HKAARN CCOC(=O)C(Sc1ccc(Cl)cc1)(Sc1ccc(Cl)cc1)C(C)=O ZINC000002049944 557300316 /nfs/dbraw/zinc/30/03/16/557300316.db2.gz YRTSWNKCHOPNJE-UHFFFAOYSA-N 0 0 415.363 5.726 50 0 HKAARN COc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(OC)c1OC ZINC000002049963 557300300 /nfs/dbraw/zinc/30/03/00/557300300.db2.gz FKTTWPACCUPKDL-UHFFFAOYSA-N 0 0 418.537 5.355 50 0 biogenic HKAARN Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)sc2nc3cc(F)c(F)cc3n12 ZINC000002049993 557300296 /nfs/dbraw/zinc/30/02/96/557300296.db2.gz GSNYRDKJFOLKTQ-UHFFFAOYSA-N 0 0 404.441 6.034 50 0 HKAARN Clc1ccc(-c2nnc(-c3ccc(Br)cc3)c(N3CCCC3)n2)cc1 ZINC000002050023 557300323 /nfs/dbraw/zinc/30/03/23/557300323.db2.gz FZESRZCVMDPECR-UHFFFAOYSA-N 0 0 415.722 5.222 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000002050544 569072318 /nfs/dbraw/zinc/07/23/18/569072318.db2.gz DKRLGYPGRPNAFC-UHFFFAOYSA-N 0 0 412.717 5.361 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c2ccccc12 ZINC000002050680 557300968 /nfs/dbraw/zinc/30/09/68/557300968.db2.gz CKVWBLVGKVSUMC-UHFFFAOYSA-N 0 0 405.453 6.174 50 0 HKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C)c5ccccc45)ccc3C)oc2c1 ZINC000002050682 557300870 /nfs/dbraw/zinc/30/08/70/557300870.db2.gz SYADDARFZWPJRW-UHFFFAOYSA-N 0 0 406.485 6.826 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c5ccccc45)c3C)nc2c1 ZINC000002050683 557300897 /nfs/dbraw/zinc/30/08/97/557300897.db2.gz GMUYRXPHAGIZTQ-UHFFFAOYSA-N 0 0 406.485 6.826 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c2ccccc12 ZINC000002050684 557300946 /nfs/dbraw/zinc/30/09/46/557300946.db2.gz KOHDUUHDWAMTHB-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c2ccccc12 ZINC000002050688 557300874 /nfs/dbraw/zinc/30/08/74/557300874.db2.gz ZTLNGBRGYVAXJW-UHFFFAOYSA-N 0 0 408.526 6.986 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000002050694 569072370 /nfs/dbraw/zinc/07/23/70/569072370.db2.gz JLSDBNLKHBYPSI-FYJGNVAPSA-N 0 0 424.283 5.917 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002050696 557300961 /nfs/dbraw/zinc/30/09/61/557300961.db2.gz DAIHNZNGLWFQCJ-FYJGNVAPSA-N 0 0 407.828 5.403 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c1 ZINC000002050730 557300971 /nfs/dbraw/zinc/30/09/71/557300971.db2.gz JFVNBIMTYBMLER-UHFFFAOYSA-N 0 0 400.478 6.098 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 ZINC000002050757 557300929 /nfs/dbraw/zinc/30/09/29/557300929.db2.gz SVWGZAJEYWYFGL-UHFFFAOYSA-N 0 0 422.484 6.689 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000002050758 557300908 /nfs/dbraw/zinc/30/09/08/557300908.db2.gz UFKXHKAXWOKZLT-UHFFFAOYSA-N 0 0 402.450 5.545 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002050761 557300923 /nfs/dbraw/zinc/30/09/23/557300923.db2.gz IERSFNYPWHPZFD-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000002050763 557300855 /nfs/dbraw/zinc/30/08/55/557300855.db2.gz PGUBZVHIQDBPAW-UHFFFAOYSA-N 0 0 414.505 6.461 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000002050765 557300837 /nfs/dbraw/zinc/30/08/37/557300837.db2.gz AINZPXPZKXAZHF-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000002050766 557300959 /nfs/dbraw/zinc/30/09/59/557300959.db2.gz ARHWNBCKSJDPBX-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 ZINC000002050768 557300966 /nfs/dbraw/zinc/30/09/66/557300966.db2.gz VTNIWBZWAAMHAD-UHFFFAOYSA-N 0 0 413.473 5.810 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 ZINC000002050771 557300970 /nfs/dbraw/zinc/30/09/70/557300970.db2.gz BCEMOUAWQCTXTB-UHFFFAOYSA-N 0 0 402.450 5.545 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000002050773 557300858 /nfs/dbraw/zinc/30/08/58/557300858.db2.gz AJKLTFVXYVHOCH-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000002050776 557301089 /nfs/dbraw/zinc/30/10/89/557301089.db2.gz OIAPGKQLCRVIQK-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000002050777 557301169 /nfs/dbraw/zinc/30/11/69/557301169.db2.gz JQWBTUBZIJFBIC-UHFFFAOYSA-N 0 0 414.505 6.461 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000002050779 557301083 /nfs/dbraw/zinc/30/10/83/557301083.db2.gz NJEWHMLPBWPFHM-UHFFFAOYSA-N 0 0 424.500 6.133 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)c1 ZINC000002050781 557301118 /nfs/dbraw/zinc/30/11/18/557301118.db2.gz JDYOFQHINIRVKG-UHFFFAOYSA-N 0 0 422.484 6.689 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000002050785 557301126 /nfs/dbraw/zinc/30/11/26/557301126.db2.gz GFALZOUDBRZDQP-UHFFFAOYSA-N 0 0 420.512 7.198 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000002050786 557301134 /nfs/dbraw/zinc/30/11/34/557301134.db2.gz FGUVJNAGWYCJPD-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000002050795 568843995 /nfs/dbraw/zinc/84/39/95/568843995.db2.gz CZWJJMAFNNKRHR-UHFFFAOYSA-N 0 0 422.484 6.689 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002050798 557301096 /nfs/dbraw/zinc/30/10/96/557301096.db2.gz NLDIYJFHHDDDPN-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1 ZINC000002050801 557301137 /nfs/dbraw/zinc/30/11/37/557301137.db2.gz XGZGAMJETKVITL-UHFFFAOYSA-N 0 0 420.512 7.198 50 0 HKAARN CC(C)Oc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002050804 569072314 /nfs/dbraw/zinc/07/23/14/569072314.db2.gz PDMKCFSCWGILLB-UHFFFAOYSA-N 0 0 418.562 6.043 50 0 HKAARN Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000002050806 557301112 /nfs/dbraw/zinc/30/11/12/557301112.db2.gz MMSKYZBRXXGYPU-UHFFFAOYSA-N 0 0 424.283 6.328 50 0 HKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc5ccccc5c4)ccc3Cl)oc2c1 ZINC000002050825 557301099 /nfs/dbraw/zinc/30/10/99/557301099.db2.gz WJSMOBUIGGBSET-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1Cl)c1ccco1 ZINC000002050826 557301164 /nfs/dbraw/zinc/30/11/64/557301164.db2.gz 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c1ccc(C2=C[C@H](c3ccccc3)C[C@@]3(c4ccccc4)Nc4ccccc4N23)cc1 ZINC000002050943 569072354 /nfs/dbraw/zinc/07/23/54/569072354.db2.gz RAWZQSIBVZYFPL-PWUYWRBVSA-N 0 0 400.525 7.000 50 0 HKAARN c1ccc(C2=C[C@@H](c3ccccc3)C[C@]3(c4ccccc4)Nc4ccccc4N23)cc1 ZINC000002050944 569072367 /nfs/dbraw/zinc/07/23/67/569072367.db2.gz RAWZQSIBVZYFPL-GIGWZHCTSA-N 0 0 400.525 7.000 50 0 HKAARN c1ccc(C2=C[C@H](c3ccccc3)C[C@]3(c4ccccc4)Nc4ccccc4N23)cc1 ZINC000002050945 569072398 /nfs/dbraw/zinc/07/23/98/569072398.db2.gz RAWZQSIBVZYFPL-OUTSHDOLSA-N 0 0 400.525 7.000 50 0 HKAARN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 ZINC000002050956 557301129 /nfs/dbraw/zinc/30/11/29/557301129.db2.gz SWDJWALSECJCSR-UHFFFAOYSA-N 0 0 414.509 5.414 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002050964 557301079 /nfs/dbraw/zinc/30/10/79/557301079.db2.gz WJUOEHIKOBHVLE-UHFFFAOYSA-N 0 0 409.441 6.075 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=O)OCc3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000002050970 557301178 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/nfs/dbraw/zinc/30/19/57/557301957.db2.gz CVPDBHKWYWGLPX-GZTJUZNOSA-N 0 0 417.770 5.963 50 0 HKAARN CC(C)(C)c1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc(C(C)(C)C)c1O ZINC000002054708 557301902 /nfs/dbraw/zinc/30/19/02/557301902.db2.gz OVCNLSXWIPHGOP-CPNJWEJPSA-N 0 0 411.929 5.985 50 0 HKAARN CC(C)(C)c1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc(C(C)(C)C)c1O ZINC000002054709 569072396 /nfs/dbraw/zinc/07/23/96/569072396.db2.gz OVCNLSXWIPHGOP-UYRXBGFRSA-N 0 0 411.929 5.985 50 0 HKAARN CSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054765 557302142 /nfs/dbraw/zinc/30/21/42/557302142.db2.gz LKWWCAFBONGXHQ-SFHVURJKSA-N 0 0 424.610 5.520 50 0 biogenic HKAARN CSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054766 557302139 /nfs/dbraw/zinc/30/21/39/557302139.db2.gz LKWWCAFBONGXHQ-GOSISDBHSA-N 0 0 424.610 5.520 50 0 biogenic HKAARN CCCCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054773 557302154 /nfs/dbraw/zinc/30/21/54/557302154.db2.gz BHPDAJYMLPRQCM-UHFFFAOYSA-N 0 0 422.638 6.676 50 0 biogenic HKAARN CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)cc2)cc1 ZINC000002054781 557302144 /nfs/dbraw/zinc/30/21/44/557302144.db2.gz MZEJGIXKVCYCNR-UHFFFAOYSA-N 0 0 412.533 7.338 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000002054924 557302181 /nfs/dbraw/zinc/30/21/81/557302181.db2.gz XVQUKOMYDBNVIW-UHFFFAOYSA-N 0 0 413.329 6.831 50 0 HKAARN COc1ccc([C@@]2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc43)O2)cc1 ZINC000002055038 557302175 /nfs/dbraw/zinc/30/21/75/557302175.db2.gz WKYMAEGRRCJZRP-HHHXNRCGSA-N 0 0 412.460 6.346 50 0 HKAARN COc1ccc([C@]2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc43)O2)cc1 ZINC000002055039 557302125 /nfs/dbraw/zinc/30/21/25/557302125.db2.gz WKYMAEGRRCJZRP-MHZLTWQESA-N 0 0 412.460 6.346 50 0 HKAARN COc1cc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c(OC)cc1Cl ZINC000002055516 557302713 /nfs/dbraw/zinc/30/27/13/557302713.db2.gz HBORGZNHSSCUBS-UHFFFAOYSA-N 0 0 419.801 6.035 50 0 HKAARN Cc1cccc2c(C(=O)Nc3ccccc3Br)cc(-c3ccccc3)nc12 ZINC000002055521 557302739 /nfs/dbraw/zinc/30/27/39/557302739.db2.gz SYVYAORNBMFYQE-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1cccc2c(C(=O)Nc3cccc(Br)c3)cc(-c3ccccc3)nc12 ZINC000002055558 569072479 /nfs/dbraw/zinc/07/24/79/569072479.db2.gz KPOUXWKKEKQJSJ-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000002055559 557302717 /nfs/dbraw/zinc/30/27/17/557302717.db2.gz VXRGOHDZIWCNBQ-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000002055581 557302702 /nfs/dbraw/zinc/30/27/02/557302702.db2.gz AEKRVMHFLDGZII-UHFFFAOYSA-N 0 0 416.322 6.625 50 0 HKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000002055623 557302734 /nfs/dbraw/zinc/30/27/34/557302734.db2.gz SNWBKOPKPZQTPI-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc(Cl)ccc1Cl ZINC000002055624 557302770 /nfs/dbraw/zinc/30/27/70/557302770.db2.gz OXRDUFDABGPNQE-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002055648 557302785 /nfs/dbraw/zinc/30/27/85/557302785.db2.gz FJALNZWJTZQGKP-KOEQRZSOSA-N 0 0 405.453 5.763 50 0 HKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002055649 569072436 /nfs/dbraw/zinc/07/24/36/569072436.db2.gz FJALNZWJTZQGKP-UQQQWYQISA-N 0 0 405.453 5.763 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002055732 557302672 /nfs/dbraw/zinc/30/26/72/557302672.db2.gz VRXLBNWOGSYCAG-UHFFFAOYSA-N 0 0 405.295 6.182 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)c(Cl)c3)sc1C(C)(C)N2 ZINC000002055931 557302681 /nfs/dbraw/zinc/30/26/81/557302681.db2.gz UPJKSXMMQPLSQD-UHFFFAOYSA-N 0 0 407.391 7.211 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)c(Cl)c3)sc1C(C)(C)N2 ZINC000002055964 557302803 /nfs/dbraw/zinc/30/28/03/557302803.db2.gz VOVXHTDYBOMWKP-UHFFFAOYSA-N 0 0 423.390 6.911 50 0 HKAARN Cc1ccc2c(c1)NC(C)(C)c1sn(-c3ccc(Cl)c(Cl)c3)c(=S)c1-2 ZINC000002055966 557302903 /nfs/dbraw/zinc/30/29/03/557302903.db2.gz CXIUMQGJOXZHCG-UHFFFAOYSA-N 0 0 407.391 7.211 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(Cl)cc1 ZINC000002056720 557303011 /nfs/dbraw/zinc/30/30/11/557303011.db2.gz AUPLBOGGHJOABJ-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002056730 557302956 /nfs/dbraw/zinc/30/29/56/557302956.db2.gz IUQHQVCQZKDGLJ-UHFFFAOYSA-N 0 0 410.256 6.019 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1Cl ZINC000002056749 557302946 /nfs/dbraw/zinc/30/29/46/557302946.db2.gz IFMJRUAGOYSWMF-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000002056846 557302982 /nfs/dbraw/zinc/30/29/82/557302982.db2.gz RHFLMGXOCITVLI-UHFFFAOYSA-N 0 0 420.896 6.579 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000002056847 557302942 /nfs/dbraw/zinc/30/29/42/557302942.db2.gz VQYAWERPAGMESA-UHFFFAOYSA-N 0 0 400.478 6.234 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 ZINC000002056859 557302990 /nfs/dbraw/zinc/30/29/90/557302990.db2.gz BYKWEYCLRSDVSY-UHFFFAOYSA-N 0 0 400.478 6.234 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000002056875 557302915 /nfs/dbraw/zinc/30/29/15/557302915.db2.gz ZGLNDOZJDKVKCQ-UHFFFAOYSA-N 0 0 421.294 6.072 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000002056884 557302970 /nfs/dbraw/zinc/30/29/70/557302970.db2.gz PPHAOFXLIJCRAE-UHFFFAOYSA-N 0 0 408.457 6.217 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000002056885 557302986 /nfs/dbraw/zinc/30/29/86/557302986.db2.gz HSDACQBHFDTFAQ-UHFFFAOYSA-N 0 0 408.457 6.217 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3C)oc2c(C)c1 ZINC000002056886 557302951 /nfs/dbraw/zinc/30/29/51/557302951.db2.gz AOSBITSJRKMDFW-UHFFFAOYSA-N 0 0 406.485 6.826 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5cc4OC)c3)nc2c1 ZINC000002056887 557302975 /nfs/dbraw/zinc/30/29/75/557302975.db2.gz JXQWJVXZYRZWTA-UHFFFAOYSA-N 0 0 422.484 6.471 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002056888 557302924 /nfs/dbraw/zinc/30/29/24/557302924.db2.gz GHQGDYBKPPNELR-UHFFFAOYSA-N 0 0 421.452 5.874 50 0 HKAARN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000002056890 557302907 /nfs/dbraw/zinc/30/29/07/557302907.db2.gz RRRQIOSVHZKBKZ-UHFFFAOYSA-N 0 0 424.283 6.328 50 0 HKAARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000002056891 557303022 /nfs/dbraw/zinc/30/30/22/557303022.db2.gz HZVKMUPSECVXSO-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)c(C)c3)nc2c1 ZINC000002056914 557302927 /nfs/dbraw/zinc/30/29/27/557302927.db2.gz BZWWIVCBXYUIRU-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cc2ccccc2o1 ZINC000002056931 557302961 /nfs/dbraw/zinc/30/29/61/557302961.db2.gz CMFRXILTYQFMMN-UHFFFAOYSA-N 0 0 404.878 6.615 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000002056932 557303001 /nfs/dbraw/zinc/30/30/01/557303001.db2.gz WIRMYZVXCIBCJZ-UHFFFAOYSA-N 0 0 420.965 7.167 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)c(C)c1 ZINC000002056945 557302932 /nfs/dbraw/zinc/30/29/32/557302932.db2.gz SGPCJTYNGBRAPJ-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000002056946 557302898 /nfs/dbraw/zinc/30/28/98/557302898.db2.gz BWVDDIJXJHWTSK-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nc2ccccc2s1 ZINC000002056953 557302967 /nfs/dbraw/zinc/30/29/67/557302967.db2.gz FEJKKUFHDVHDPU-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000002056957 557303004 /nfs/dbraw/zinc/30/30/04/557303004.db2.gz VMJXVAATDHYLKG-UHFFFAOYSA-N 0 0 414.917 7.022 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000002056958 557302978 /nfs/dbraw/zinc/30/29/78/557302978.db2.gz XICWXVBVEODISY-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN CC(C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)(c1ccccc1)c1ccccc1 ZINC000002056996 557302912 /nfs/dbraw/zinc/30/29/12/557302912.db2.gz SHVOYHHSTGBTAS-UHFFFAOYSA-N 0 0 418.496 6.440 50 0 HKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1Cl ZINC000002057193 535097529 /nfs/dbraw/zinc/09/75/29/535097529.db2.gz APPRBSLWSQZQIH-UHFFFAOYSA-N 0 0 403.981 6.755 50 0 HKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000002057307 535097384 /nfs/dbraw/zinc/09/73/84/535097384.db2.gz ZHCZPHCEFBTGHF-UHFFFAOYSA-N 0 0 403.981 6.755 50 0 HKAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc2ccccc2c1 ZINC000002057308 132248624 /nfs/dbraw/zinc/24/86/24/132248624.db2.gz OEXATDKVNYYYPW-QHCPKHFHSA-N 0 0 419.311 6.918 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc2ccccc2c1 ZINC000002057309 132248605 /nfs/dbraw/zinc/24/86/05/132248605.db2.gz OEXATDKVNYYYPW-HSZRJFAPSA-N 0 0 419.311 6.918 50 0 HKAARN Cc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 ZINC000002057319 557303304 /nfs/dbraw/zinc/30/33/04/557303304.db2.gz BVTUVWVTPNJDNW-UHFFFAOYSA-N 0 0 417.397 6.667 50 0 HKAARN O=C1C(c2ccccc2)=C(c2ccccc2)O[C@@H](c2ccccc2)N1c1ccccc1 ZINC000002057556 132248642 /nfs/dbraw/zinc/24/86/42/132248642.db2.gz ABBMBGPAHXZSOA-NDEPHWFRSA-N 0 0 403.481 6.317 50 0 HKAARN O=C1C(c2ccccc2)=C(c2ccccc2)O[C@H](c2ccccc2)N1c1ccccc1 ZINC000002057557 132248627 /nfs/dbraw/zinc/24/86/27/132248627.db2.gz ABBMBGPAHXZSOA-MUUNZHRXSA-N 0 0 403.481 6.317 50 0 HKAARN CCOC(=O)c1c(Cc2ccccc2)cc(-c2ccccc2)c(C(=O)OCC)c1O ZINC000002057589 569072440 /nfs/dbraw/zinc/07/24/40/569072440.db2.gz STPZPMFMKSCROX-UHFFFAOYSA-N 0 0 404.462 5.003 50 0 HKAARN O=C(Nc1ccc(OC(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000002057798 557303300 /nfs/dbraw/zinc/30/33/00/557303300.db2.gz LSUDNLYCBHRETO-UHFFFAOYSA-N 0 0 417.464 6.465 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)sc2c1 ZINC000002058075 557303242 /nfs/dbraw/zinc/30/32/42/557303242.db2.gz QJRAEGSKDGUZTA-UHFFFAOYSA-N 0 0 400.547 6.822 50 0 HKAARN CCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002058209 557303221 /nfs/dbraw/zinc/30/32/21/557303221.db2.gz JRZUYPLYWKSCCV-UHFFFAOYSA-N 0 0 410.297 5.358 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002058286 557303224 /nfs/dbraw/zinc/30/32/24/557303224.db2.gz LZEDAXCMNRVOCZ-UHFFFAOYSA-N 0 0 417.130 5.862 50 0 HKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000002058437 560559058 /nfs/dbraw/zinc/55/90/58/560559058.db2.gz MQXOAJLXDSINMM-PCLIKHOPSA-N 0 0 405.453 5.763 50 0 HKAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000002058438 557303231 /nfs/dbraw/zinc/30/32/31/557303231.db2.gz MQXOAJLXDSINMM-XYGWBWBKSA-N 0 0 405.453 5.763 50 0 HKAARN CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)cc1 ZINC000002058488 569072451 /nfs/dbraw/zinc/07/24/51/569072451.db2.gz SEGNASXFVSHZBY-UHFFFAOYSA-N 0 0 402.925 7.457 50 0 HKAARN COc1ccc([C@@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002058521 557303483 /nfs/dbraw/zinc/30/34/83/557303483.db2.gz HVRWEYPXGVZVBC-SANMLTNESA-N 0 0 412.533 6.013 50 0 HKAARN COc1ccc([C@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002058522 557303494 /nfs/dbraw/zinc/30/34/94/557303494.db2.gz HVRWEYPXGVZVBC-AREMUKBSSA-N 0 0 412.533 6.013 50 0 HKAARN CCOc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002058662 569072474 /nfs/dbraw/zinc/07/24/74/569072474.db2.gz HCYYTLTXLKKAON-UHFFFAOYSA-N 0 0 404.535 5.654 50 0 HKAARN CCCCOC(=O)c1cc(C)nc2c(Br)cc(Br)cc12 ZINC000002058757 557303447 /nfs/dbraw/zinc/30/34/47/557303447.db2.gz GPOCEVKAICMHBN-UHFFFAOYSA-N 0 0 401.098 5.025 50 0 HKAARN Cc1cccc2c(C(=O)Nc3ccc(Br)cc3)cc(-c3ccccc3)nc12 ZINC000002058758 557303503 /nfs/dbraw/zinc/30/35/03/557303503.db2.gz MJLFUWHZXCCYAT-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN Cc1ccc(OCCn2c3ccccc3nc2SCCOc2ccccc2)cc1 ZINC000002058890 557303522 /nfs/dbraw/zinc/30/35/22/557303522.db2.gz PNCBJXVNIRRHJP-UHFFFAOYSA-N 0 0 404.535 5.595 50 0 in-vitro HKAARN Cc1ccc(OCCn2c3ccccc3nc2SCc2cccc3ccccc32)cc1 ZINC000002059018 557303531 /nfs/dbraw/zinc/30/35/31/557303531.db2.gz WJPYCUGESMLGQX-UHFFFAOYSA-N 0 0 424.569 6.869 50 0 HKAARN c1ccc(OCCn2c3ccccc3nc2SCc2cccc3ccccc32)cc1 ZINC000002059019 557303534 /nfs/dbraw/zinc/30/35/34/557303534.db2.gz WGZIFNXSEWYAPX-UHFFFAOYSA-N 0 0 410.542 6.561 50 0 HKAARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 ZINC000002059103 559274697 /nfs/dbraw/zinc/27/46/97/559274697.db2.gz UFKLFJXGPQBDTQ-HAVVHWLPSA-N 0 0 409.485 5.643 50 0 HKAARN CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002059105 559274830 /nfs/dbraw/zinc/27/48/30/559274830.db2.gz RGOGOLORKZTVFE-HAVVHWLPSA-N 0 0 409.485 5.643 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002059377 557303505 /nfs/dbraw/zinc/30/35/05/557303505.db2.gz AREXZNBORZCNSL-UHFFFAOYSA-N 0 0 413.329 6.831 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1C ZINC000002059413 557303480 /nfs/dbraw/zinc/30/34/80/557303480.db2.gz XLTHASYYJQYGSI-UHFFFAOYSA-N 0 0 422.484 6.526 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C ZINC000002059414 557303715 /nfs/dbraw/zinc/30/37/15/557303715.db2.gz XBSOYTQVXVIVFW-UHFFFAOYSA-N 0 0 424.525 6.686 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002059415 557303755 /nfs/dbraw/zinc/30/37/55/557303755.db2.gz RDBWBWMAJXLIRJ-UHFFFAOYSA-N 0 0 416.546 6.703 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059424 132248649 /nfs/dbraw/zinc/24/86/49/132248649.db2.gz SNWMGTQMHSELBH-HRAATJIYSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059425 132248643 /nfs/dbraw/zinc/24/86/43/132248643.db2.gz SNWMGTQMHSELBH-IIBYNOLFSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059426 132248657 /nfs/dbraw/zinc/24/86/57/132248657.db2.gz SNWMGTQMHSELBH-KKSFZXQISA-N 0 0 421.338 6.041 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Br)c1 ZINC000002059427 132248609 /nfs/dbraw/zinc/24/86/09/132248609.db2.gz SNWMGTQMHSELBH-IERDGZPVSA-N 0 0 421.338 6.041 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)cc1 ZINC000002059461 557303684 /nfs/dbraw/zinc/30/36/84/557303684.db2.gz BXBZYDCJGKDIGT-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN Cc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)nc(-c3ccccc3)c2c1 ZINC000002059608 132248648 /nfs/dbraw/zinc/24/86/48/132248648.db2.gz SVOOATGSDYVVHI-UHFFFAOYSA-N 0 0 414.940 5.585 50 0 HKAARN Cc1ccc(N2CCN(c3nc4ccc(C)cc4c(-c4ccccc4)n3)CC2)c(C)c1 ZINC000002059609 132248603 /nfs/dbraw/zinc/24/86/03/132248603.db2.gz RDJVUJSMDSMTAQ-UHFFFAOYSA-N 0 0 408.549 5.549 50 0 HKAARN O=C(c1ccccc1)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000002059610 569072804 /nfs/dbraw/zinc/07/28/04/569072804.db2.gz AMGPLZVJBYZXLZ-UHFFFAOYSA-N 0 0 400.481 6.642 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002059643 132248637 /nfs/dbraw/zinc/24/86/37/132248637.db2.gz AFPJJTBOHAPZQS-QFIPXVFZSA-N 0 0 411.332 6.888 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002059644 132248619 /nfs/dbraw/zinc/24/86/19/132248619.db2.gz AFPJJTBOHAPZQS-JOCHJYFZSA-N 0 0 411.332 6.888 50 0 HKAARN CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000002059717 132248618 /nfs/dbraw/zinc/24/86/18/132248618.db2.gz ITBRMXBMLQJRML-HHHXNRCGSA-N 0 0 401.525 6.523 50 0 HKAARN CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000002059718 536194969 /nfs/dbraw/zinc/19/49/69/536194969.db2.gz ITBRMXBMLQJRML-MHZLTWQESA-N 0 0 401.525 6.523 50 0 HKAARN Cc1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc3c2CCCC3)o1 ZINC000002060055 557303783 /nfs/dbraw/zinc/30/37/83/557303783.db2.gz IAIHQWOYUMFKRM-UHFFFAOYSA-N 0 0 422.937 6.210 50 0 HKAARN CC[C@H](O)C1=C(c2ccc(OC)c(OC)c2)Oc2ccccc2[C@H]1c1ccccc1C ZINC000002060190 569072791 /nfs/dbraw/zinc/07/27/91/569072791.db2.gz VGVLOUFNGGZXEV-SQJMNOBHSA-N 0 0 416.517 5.719 50 0 HKAARN CC[C@@H](O)C1=C(c2ccc(OC)c(OC)c2)Oc2ccccc2[C@H]1c1ccccc1C ZINC000002060191 560584116 /nfs/dbraw/zinc/58/41/16/560584116.db2.gz VGVLOUFNGGZXEV-PXDATVDWSA-N 0 0 416.517 5.719 50 0 HKAARN CC[C@H](O)C1=C(c2ccc(OC)c(OC)c2)Oc2ccccc2[C@@H]1c1ccccc1C ZINC000002060192 560584107 /nfs/dbraw/zinc/58/41/07/560584107.db2.gz VGVLOUFNGGZXEV-OFVILXPXSA-N 0 0 416.517 5.719 50 0 HKAARN CC[C@@H](O)C1=C(c2ccc(OC)c(OC)c2)Oc2ccccc2[C@@H]1c1ccccc1C ZINC000002060193 569072806 /nfs/dbraw/zinc/07/28/06/569072806.db2.gz VGVLOUFNGGZXEV-BWKNWUBXSA-N 0 0 416.517 5.719 50 0 HKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002060202 557303736 /nfs/dbraw/zinc/30/37/36/557303736.db2.gz ROKYDGHKHIKGTD-UHFFFAOYSA-N 0 0 413.564 6.203 50 0 HKAARN COc1ccc(-c2csc3nc(-c4ccccc4Br)oc(=O)c23)cc1 ZINC000002060219 557303720 /nfs/dbraw/zinc/30/37/20/557303720.db2.gz AAFWUXITHDAQSP-UHFFFAOYSA-N 0 0 414.280 5.355 50 0 HKAARN CCOc1ccc(-n2c(C)c(C(=O)OC3CCCCC3)c3cc(OC)ccc32)cc1 ZINC000002060221 557303675 /nfs/dbraw/zinc/30/36/75/557303675.db2.gz PLDDGPXHKWZWKC-UHFFFAOYSA-N 0 0 407.510 5.836 50 0 biogenic HKAARN COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 ZINC000002060237 569356752 /nfs/dbraw/zinc/35/67/52/569356752.db2.gz PRQMJZPVAVTUSA-BDTNDASRSA-N 0 0 415.291 6.058 50 0 HKAARN O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000002060281 557303689 /nfs/dbraw/zinc/30/36/89/557303689.db2.gz WTVGTYOFHXIDLI-UNOMPAQXSA-N 0 0 424.319 5.839 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCC2 ZINC000002060353 557303733 /nfs/dbraw/zinc/30/37/33/557303733.db2.gz RVQJGYOJYRUELJ-UHFFFAOYSA-N 0 0 422.344 5.209 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CSc1ccccc1 ZINC000002060357 557303751 /nfs/dbraw/zinc/30/37/51/557303751.db2.gz MNSFZKPYBAKFRP-UHFFFAOYSA-N 0 0 411.548 5.631 50 0 HKAARN CC(C)Cc1csc(NC(=O)c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000002060362 557303710 /nfs/dbraw/zinc/30/37/10/557303710.db2.gz MQHFQIQMUNVDQH-UHFFFAOYSA-N 0 0 412.942 6.105 50 0 HKAARN CC(C)Cc1csc(NC(=O)c2ccccc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000002060363 557303667 /nfs/dbraw/zinc/30/36/67/557303667.db2.gz LGJYXOAFCZJNLD-UHFFFAOYSA-N 0 0 412.942 6.105 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(F)cc1 ZINC000002060375 557303774 /nfs/dbraw/zinc/30/37/74/557303774.db2.gz RRRYOZWGLNSXJH-UHFFFAOYSA-N 0 0 403.862 5.637 50 0 HKAARN c1c2c(n(C3CCCCC3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060377 557303659 /nfs/dbraw/zinc/30/36/59/557303659.db2.gz NCTOQEYBJNJCTI-GDLZYMKVSA-N 0 0 405.541 7.809 50 0 HKAARN c1c2c(n(C3CCCCC3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060378 557303761 /nfs/dbraw/zinc/30/37/61/557303761.db2.gz NCTOQEYBJNJCTI-LJAQVGFWSA-N 0 0 405.541 7.809 50 0 HKAARN O=c1oc(-c2ccccc2Cl)nc2sc3c(c21)CCCCCCCCCC3 ZINC000002060390 557303707 /nfs/dbraw/zinc/30/37/07/557303707.db2.gz MTVZRDWNYYZZKJ-UHFFFAOYSA-N 0 0 401.959 6.789 50 0 HKAARN Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)Cc1ccccc1)SC2 ZINC000002060394 557303741 /nfs/dbraw/zinc/30/37/41/557303741.db2.gz HJXBUYOZZPKOEK-UHFFFAOYSA-N 0 0 420.599 6.630 50 0 HKAARN Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)c1ccccc1F)SC2 ZINC000002060396 557303679 /nfs/dbraw/zinc/30/36/79/557303679.db2.gz AVDIIYNRJRRQDX-UHFFFAOYSA-N 0 0 424.562 6.841 50 0 HKAARN COc1ccc(-c2csc3nc(-c4cccc5ccccc54)oc(=O)c23)cc1OC ZINC000002060398 557303746 /nfs/dbraw/zinc/30/37/46/557303746.db2.gz GRMAIBFWHCAFSX-UHFFFAOYSA-N 0 0 415.470 5.754 50 0 HKAARN c1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060399 557303728 /nfs/dbraw/zinc/30/37/28/557303728.db2.gz FRJGBPCFRDIYET-SSEXGKCCSA-N 0 0 419.568 8.199 50 0 HKAARN c1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 ZINC000002060400 557303779 /nfs/dbraw/zinc/30/37/79/557303779.db2.gz FRJGBPCFRDIYET-PMERELPUSA-N 0 0 419.568 8.199 50 0 HKAARN O=c1oc(-c2cccc3ccccc32)nc2sc3c(c21)CCCCCCCCCC3 ZINC000002060402 557303650 /nfs/dbraw/zinc/30/36/50/557303650.db2.gz HWDHAWBBMMACHG-UHFFFAOYSA-N 0 0 417.574 7.289 50 0 HKAARN Cc1ccc(Nc2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000002060445 557303968 /nfs/dbraw/zinc/30/39/68/557303968.db2.gz TYNXDONKCGKHHR-UHFFFAOYSA-N 0 0 404.598 7.155 50 0 HKAARN CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060674 557304034 /nfs/dbraw/zinc/30/40/34/557304034.db2.gz LQTLPNPXEUSSDW-UHFFFAOYSA-N 0 0 408.611 5.971 50 0 HKAARN CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060675 557304057 /nfs/dbraw/zinc/30/40/57/557304057.db2.gz GUVLBCFVUQVMTL-UHFFFAOYSA-N 0 0 402.563 5.243 50 0 HKAARN CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060676 557303925 /nfs/dbraw/zinc/30/39/25/557303925.db2.gz AZWIIQRAMHCOIU-UHFFFAOYSA-N 0 0 416.590 5.633 50 0 biogenic HKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c1-2 ZINC000002060683 557303906 /nfs/dbraw/zinc/30/39/06/557303906.db2.gz UWGHVTMJSFNNNN-RUZDIDTESA-N 0 0 409.872 6.782 50 0 HKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c1-2 ZINC000002060684 557303909 /nfs/dbraw/zinc/30/39/09/557303909.db2.gz UWGHVTMJSFNNNN-VWLOTQADSA-N 0 0 409.872 6.782 50 0 HKAARN Cc1cc2c(cc1C)-c1c(sn(-c3cccc(C(F)(F)F)c3)c1=S)C(C)(C)N2 ZINC000002060872 557304002 /nfs/dbraw/zinc/30/40/02/557304002.db2.gz GKQKDNZXMWDDAX-UHFFFAOYSA-N 0 0 420.525 7.232 50 0 HKAARN Cc1cccc2c1NC(C)(C)c1sn(-c3cccc(C(F)(F)F)c3)c(=S)c1-2 ZINC000002060885 557303959 /nfs/dbraw/zinc/30/39/59/557303959.db2.gz ZPMRROZRIRUCJQ-UHFFFAOYSA-N 0 0 406.498 6.923 50 0 HKAARN CCCCc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000002060892 557303949 /nfs/dbraw/zinc/30/39/49/557303949.db2.gz VAAVOJMJGSWGJA-UHFFFAOYSA-N 0 0 408.636 7.555 50 0 HKAARN CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2cccc(C)c2NC3(C)C)cc1 ZINC000002060917 557303965 /nfs/dbraw/zinc/30/39/65/557303965.db2.gz LOMPAUMQLITDFE-UHFFFAOYSA-N 0 0 410.564 6.081 50 0 HKAARN Cc1cccc2c1NC(C)(C)c1sn(-c3ccc(C(F)(F)F)cc3)c(=S)c1-2 ZINC000002060919 557304041 /nfs/dbraw/zinc/30/40/41/557304041.db2.gz BUHMXYIYULARKK-UHFFFAOYSA-N 0 0 406.498 6.923 50 0 HKAARN Cc1cccc(COc2ccccc2/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)c1 ZINC000002060980 569073462 /nfs/dbraw/zinc/07/34/62/569073462.db2.gz AKCHVSXQOHLTSW-KOEQRZSOSA-N 0 0 419.480 6.072 50 0 HKAARN Cc1cccc(COc2ccccc2/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1 ZINC000002060981 557304064 /nfs/dbraw/zinc/30/40/64/557304064.db2.gz AKCHVSXQOHLTSW-UQQQWYQISA-N 0 0 419.480 6.072 50 0 HKAARN COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCc1cccc(C)c1 ZINC000002060984 569073439 /nfs/dbraw/zinc/07/34/39/569073439.db2.gz OTQQTJIQXRHJFD-HYARGMPZSA-N 0 0 413.473 5.236 50 0 HKAARN COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCc1cccc(C)c1 ZINC000002060985 557303913 /nfs/dbraw/zinc/30/39/13/557303913.db2.gz OTQQTJIQXRHJFD-HMAPJEAMSA-N 0 0 413.473 5.236 50 0 HKAARN COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OCc1cccc(C)c1 ZINC000002061011 560584142 /nfs/dbraw/zinc/58/41/42/560584142.db2.gz ZUZUTTMGSRNLND-FYJGNVAPSA-N 0 0 417.436 5.066 50 0 HKAARN COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OCc1cccc(C)c1 ZINC000002061012 557303934 /nfs/dbraw/zinc/30/39/34/557303934.db2.gz ZUZUTTMGSRNLND-BKUYFWCQSA-N 0 0 417.436 5.066 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000002061238 557303953 /nfs/dbraw/zinc/30/39/53/557303953.db2.gz JYYSVCYAAMJQOR-UHFFFAOYSA-N 0 0 416.127 6.098 50 0 HKAARN Cc1ccc([C@H]2CC(=Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000002061304 557304046 /nfs/dbraw/zinc/30/40/46/557304046.db2.gz KRLHRIGDRYCEJD-JOCHJYFZSA-N 0 0 409.316 6.386 50 0 HKAARN Cc1ccc([C@@H]2CC(=Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000002061305 557303991 /nfs/dbraw/zinc/30/39/91/557303991.db2.gz KRLHRIGDRYCEJD-QFIPXVFZSA-N 0 0 409.316 6.386 50 0 HKAARN O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000002061310 557303975 /nfs/dbraw/zinc/30/39/75/557303975.db2.gz LURFCXYXVRUNSC-OAQYLSRUSA-N 0 0 413.279 6.216 50 0 HKAARN O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000002061311 557304020 /nfs/dbraw/zinc/30/40/20/557304020.db2.gz LURFCXYXVRUNSC-NRFANRHFSA-N 0 0 413.279 6.216 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000002061397 569073524 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CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000002062663 557304825 /nfs/dbraw/zinc/30/48/25/557304825.db2.gz YXSFRHDSCMAJNE-UHFFFAOYSA-N 0 0 422.528 6.642 50 0 HKAARN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccco1 ZINC000002062669 557304814 /nfs/dbraw/zinc/30/48/14/557304814.db2.gz NJITYYKVEHVVBU-UHFFFAOYSA-N 0 0 417.646 5.756 50 0 HKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000002062787 557304861 /nfs/dbraw/zinc/30/48/61/557304861.db2.gz BCLHQBRFORTQJS-MRXNPFEDSA-N 0 0 409.482 5.012 50 0 HKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000002062788 557304822 /nfs/dbraw/zinc/30/48/22/557304822.db2.gz BCLHQBRFORTQJS-INIZCTEOSA-N 0 0 409.482 5.012 50 0 HKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000002062819 557304818 /nfs/dbraw/zinc/30/48/18/557304818.db2.gz KFNNGRNKPUSTSX-MRXNPFEDSA-N 0 0 409.482 5.012 50 0 HKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000002062820 557304838 /nfs/dbraw/zinc/30/48/38/557304838.db2.gz KFNNGRNKPUSTSX-INIZCTEOSA-N 0 0 409.482 5.012 50 0 HKAARN CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000002062830 557304866 /nfs/dbraw/zinc/30/48/66/557304866.db2.gz OOBQAKZDOJZSGT-UHFFFAOYSA-N 0 0 420.292 5.531 50 0 HKAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000002062833 557304801 /nfs/dbraw/zinc/30/48/01/557304801.db2.gz AWDPJFZSBHRWAK-UHFFFAOYSA-N 0 0 406.265 5.141 50 0 HKAARN CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000002062838 557304765 /nfs/dbraw/zinc/30/47/65/557304765.db2.gz ZTRJBLMDMHAVMM-UHFFFAOYSA-N 0 0 401.462 5.378 50 0 HKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000002062853 557304771 /nfs/dbraw/zinc/30/47/71/557304771.db2.gz IZGSKAPTXBGKOT-OAHLLOKOSA-N 0 0 413.901 5.656 50 0 HKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000002062854 557304797 /nfs/dbraw/zinc/30/47/97/557304797.db2.gz IZGSKAPTXBGKOT-HNNXBMFYSA-N 0 0 413.901 5.656 50 0 HKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000002062858 557304781 /nfs/dbraw/zinc/30/47/81/557304781.db2.gz DVLNAWXETKDMJN-OAHLLOKOSA-N 0 0 413.901 5.656 50 0 HKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000002062859 557305052 /nfs/dbraw/zinc/30/50/52/557305052.db2.gz DVLNAWXETKDMJN-HNNXBMFYSA-N 0 0 413.901 5.656 50 0 HKAARN CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000002062870 557305019 /nfs/dbraw/zinc/30/50/19/557305019.db2.gz KZQXAWYVLIUQBT-UHFFFAOYSA-N 0 0 420.292 5.531 50 0 HKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000002062882 557305077 /nfs/dbraw/zinc/30/50/77/557305077.db2.gz YXYYFHIDZGRDIW-GOSISDBHSA-N 0 0 407.510 5.620 50 0 HKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000002062883 557305037 /nfs/dbraw/zinc/30/50/37/557305037.db2.gz YXYYFHIDZGRDIW-SFHVURJKSA-N 0 0 407.510 5.620 50 0 HKAARN O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002062885 557305062 /nfs/dbraw/zinc/30/50/62/557305062.db2.gz UJEKZISNHRPVJM-UHFFFAOYSA-N 0 0 418.276 5.284 50 0 HKAARN Cc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1Cl ZINC000002062913 557305021 /nfs/dbraw/zinc/30/50/21/557305021.db2.gz LTANAZJWDHOBNK-UHFFFAOYSA-N 0 0 409.483 6.063 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000002063114 557305016 /nfs/dbraw/zinc/30/50/16/557305016.db2.gz WMZGZHFJRHYPEJ-UHFFFAOYSA-N 0 0 415.901 6.904 50 0 HKAARN Cc1cc(C)c2c(c1)-c1c(=S)n(-c3ccc(Cl)c(Cl)c3)sc1C(C)(C)N2 ZINC000002063127 557305028 /nfs/dbraw/zinc/30/50/28/557305028.db2.gz FYTOPKFSMSEWIK-UHFFFAOYSA-N 0 0 421.418 7.520 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)c(Cl)c3)sc1C(C)(C)N2C ZINC000002063128 132248615 /nfs/dbraw/zinc/24/86/15/132248615.db2.gz FPFPCHZDBYFCFV-UHFFFAOYSA-N 0 0 421.418 7.235 50 0 HKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cccc(F)c1 ZINC000002063129 534936102 /nfs/dbraw/zinc/93/61/02/534936102.db2.gz NNGDRKDIRRGUQC-RUZDIDTESA-N 0 0 407.916 6.614 50 0 aggregator HKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cccc(F)c1 ZINC000002063130 132248613 /nfs/dbraw/zinc/24/86/13/132248613.db2.gz NNGDRKDIRRGUQC-VWLOTQADSA-N 0 0 407.916 6.614 50 0 aggregator HKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C/c1ccco1 ZINC000002063131 534935022 /nfs/dbraw/zinc/93/50/22/534935022.db2.gz JPJPHRSQMHWGHC-LECGRMGRSA-N 0 0 405.925 6.468 50 0 HKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C/c1ccco1 ZINC000002063133 132248639 /nfs/dbraw/zinc/24/86/39/132248639.db2.gz JPJPHRSQMHWGHC-MIFWMJNYSA-N 0 0 405.925 6.468 50 0 HKAARN Cc1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1cccc(F)c1 ZINC000002063135 132248632 /nfs/dbraw/zinc/24/86/32/132248632.db2.gz VNYWIAAHVVNUST-SANMLTNESA-N 0 0 421.943 6.923 50 0 HKAARN Cc1ccc2c(c1)[C@@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1cccc(F)c1 ZINC000002063136 132248776 /nfs/dbraw/zinc/24/87/76/132248776.db2.gz VNYWIAAHVVNUST-AREMUKBSSA-N 0 0 421.943 6.923 50 0 HKAARN Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 ZINC000002063137 132248808 /nfs/dbraw/zinc/24/88/08/132248808.db2.gz SHQORNKKJCODFH-HHHXNRCGSA-N 0 0 401.525 6.578 50 0 HKAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 ZINC000002063138 132248804 /nfs/dbraw/zinc/24/88/04/132248804.db2.gz SHQORNKKJCODFH-MHZLTWQESA-N 0 0 401.525 6.578 50 0 HKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CCC1CCCCC1 ZINC000002063139 535096852 /nfs/dbraw/zinc/09/68/52/535096852.db2.gz IHYMOJFULZFKLW-UHFFFAOYSA-N 0 0 403.638 7.148 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CCC1CCCCC1 ZINC000002063140 132248750 /nfs/dbraw/zinc/24/87/50/132248750.db2.gz XODWNIJOJXIERA-UHFFFAOYSA-N 0 0 417.665 7.457 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000002063294 569073849 /nfs/dbraw/zinc/07/38/49/569073849.db2.gz BZYYKBSMMKFUII-YVEFUNNKSA-N 0 0 419.388 5.516 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000002063295 569073851 /nfs/dbraw/zinc/07/38/51/569073851.db2.gz BZYYKBSMMKFUII-SJKOYZFVSA-N 0 0 419.388 5.516 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000002063296 569073805 /nfs/dbraw/zinc/07/38/05/569073805.db2.gz BZYYKBSMMKFUII-SJCJKPOMSA-N 0 0 419.388 5.516 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000002063297 569073814 /nfs/dbraw/zinc/07/38/14/569073814.db2.gz BZYYKBSMMKFUII-PXAZEXFGSA-N 0 0 419.388 5.516 50 0 HKAARN CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002063425 557305011 /nfs/dbraw/zinc/30/50/11/557305011.db2.gz IZWCTRMZDRJRQM-UHFFFAOYSA-N 0 0 410.473 5.721 50 0 HKAARN CC(C)(C)c1cc(NC(=O)CSc2ccc3ccccc3n2)cc(C(C)(C)C)c1 ZINC000002063548 557305024 /nfs/dbraw/zinc/30/50/24/557305024.db2.gz HILDOHKUIJOMIV-UHFFFAOYSA-N 0 0 406.595 6.561 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Nc2ccccc2)sc2c1CCCC2 ZINC000002063563 557305026 /nfs/dbraw/zinc/30/50/26/557305026.db2.gz OAVXBNMHLZUCAD-UHFFFAOYSA-N 0 0 420.534 5.800 50 0 HKAARN CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1O ZINC000002063624 557305045 /nfs/dbraw/zinc/30/50/45/557305045.db2.gz SXFDECITGNWXBY-UHFFFAOYSA-N 0 0 424.884 5.992 50 0 biogenic HKAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2cccc3ccccc32)s1 ZINC000002063625 557305083 /nfs/dbraw/zinc/30/50/83/557305083.db2.gz MSGNVDOLBZZSKM-UHFFFAOYSA-N 0 0 405.866 5.862 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2cccc(C(F)(F)F)c2)s1 ZINC000002063626 569073840 /nfs/dbraw/zinc/07/38/40/569073840.db2.gz VVHLSKPONYMUNG-UHFFFAOYSA-N 0 0 423.803 5.727 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc(F)c4)s3)c(=O)oc2c1 ZINC000002063633 557304998 /nfs/dbraw/zinc/30/49/98/557304998.db2.gz UADMJYFNRQSEBA-UHFFFAOYSA-N 0 0 410.474 5.040 50 0 HKAARN COc1ccc([C@]2(c3ccccc3F)C=Cc3c4c(ccc3O2)oc2ccccc24)cc1 ZINC000002063812 569073776 /nfs/dbraw/zinc/07/37/76/569073776.db2.gz MCACPNYAXULDQA-NDEPHWFRSA-N 0 0 422.455 7.083 50 0 HKAARN O=C(Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(c1ccccc1)c1ccccc1 ZINC000002063941 557305259 /nfs/dbraw/zinc/30/52/59/557305259.db2.gz ZGUAXICERJBSNJ-UHFFFAOYSA-N 0 0 410.469 5.409 50 0 HKAARN CCN(CC)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002063989 557305252 /nfs/dbraw/zinc/30/52/52/557305252.db2.gz RXDCRKLKNLJLKJ-UHFFFAOYSA-N 0 0 402.361 6.162 50 0 HKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cc1 ZINC000002064203 557305272 /nfs/dbraw/zinc/30/52/72/557305272.db2.gz IQCHGLOIIIOWAP-UHFFFAOYSA-N 0 0 409.485 5.867 50 0 HKAARN CCCCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)cc1 ZINC000002064207 557305317 /nfs/dbraw/zinc/30/53/17/557305317.db2.gz GNJLHOSEERCFET-UHFFFAOYSA-N 0 0 410.517 6.641 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000002064409 557305298 /nfs/dbraw/zinc/30/52/98/557305298.db2.gz UXJYKORZTGIAIT-UHFFFAOYSA-N 0 0 417.559 5.707 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002064410 557305308 /nfs/dbraw/zinc/30/53/08/557305308.db2.gz BMPHQAYKUMWTQH-UHFFFAOYSA-N 0 0 419.531 5.104 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000002064411 557305302 /nfs/dbraw/zinc/30/53/02/557305302.db2.gz OYAKVMDNAFIBBF-UHFFFAOYSA-N 0 0 403.532 5.399 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000002064412 557305270 /nfs/dbraw/zinc/30/52/70/557305270.db2.gz UCTKUYNGBLMURC-UHFFFAOYSA-N 0 0 417.559 5.707 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000002064415 557305291 /nfs/dbraw/zinc/30/52/91/557305291.db2.gz UGAZANJYOLLXGW-UHFFFAOYSA-N 0 0 419.531 5.104 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 ZINC000002065396 557305606 /nfs/dbraw/zinc/30/56/06/557305606.db2.gz UGKZAIUHENZJNR-UHFFFAOYSA-N 0 0 420.833 5.499 50 0 HKAARN COC(=O)[C@](O)(c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1C)C(F)(F)F ZINC000002065914 560584102 /nfs/dbraw/zinc/58/41/02/560584102.db2.gz FGSYIQWRUJRDJC-HXUWFJFHSA-N 0 0 424.415 5.453 50 0 HKAARN COC(=O)[C@@](O)(c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1C)C(F)(F)F ZINC000002065915 569073887 /nfs/dbraw/zinc/07/38/87/569073887.db2.gz FGSYIQWRUJRDJC-FQEVSTJZSA-N 0 0 424.415 5.453 50 0 HKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(F)cc1 ZINC000002065924 132248749 /nfs/dbraw/zinc/24/87/49/132248749.db2.gz RVUMFNRIEOJRAB-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccc(Cl)cc1 ZINC000002065925 132248742 /nfs/dbraw/zinc/24/87/42/132248742.db2.gz ZANHYTNTARQFMH-UHFFFAOYSA-N 0 0 418.008 7.063 50 0 HKAARN CC(C)(C)c1ccc2oc(CCCCc3nc4cc(C(C)(C)C)ccc4o3)nc2c1 ZINC000002065928 557305820 /nfs/dbraw/zinc/30/58/20/557305820.db2.gz XXZUBRDQRVBUHJ-UHFFFAOYSA-N 0 0 404.554 7.129 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002065962 132248739 /nfs/dbraw/zinc/24/87/39/132248739.db2.gz WGLIWBHKLXFQFU-ZRDIBKRKSA-N 0 0 409.601 6.810 50 0 HKAARN Clc1ccc([C@H](Nc2ccccc2)c2nnnn2C2CCCCC2)c(Cl)c1 ZINC000002065969 557305984 /nfs/dbraw/zinc/30/59/84/557305984.db2.gz DVYAQYNPPABTJI-IBGZPJMESA-N 0 0 402.329 5.687 50 0 HKAARN Clc1ccc([C@@H](Nc2ccccc2)c2nnnn2C2CCCCC2)c(Cl)c1 ZINC000002065970 557305870 /nfs/dbraw/zinc/30/58/70/557305870.db2.gz DVYAQYNPPABTJI-LJQANCHMSA-N 0 0 402.329 5.687 50 0 HKAARN Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002066077 132248767 /nfs/dbraw/zinc/24/87/67/132248767.db2.gz KGRKBZDLFUFGQK-UHFFFAOYSA-N 0 0 404.025 7.423 50 0 HKAARN CCCCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000002066209 557305947 /nfs/dbraw/zinc/30/59/47/557305947.db2.gz HKYFFZGJHOMRKB-CYBMUJFWSA-N 0 0 411.807 5.781 50 0 HKAARN CCCCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000002066210 557305928 /nfs/dbraw/zinc/30/59/28/557305928.db2.gz HKYFFZGJHOMRKB-ZDUSSCGKSA-N 0 0 411.807 5.781 50 0 HKAARN COc1ccc(C(=O)N[C@H](Nc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000002066228 557305875 /nfs/dbraw/zinc/30/58/75/557305875.db2.gz IXQJAEBEGFUYRA-IBGZPJMESA-N 0 0 423.727 5.387 50 0 HKAARN COc1ccc(C(=O)N[C@@H](Nc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000002066229 557305944 /nfs/dbraw/zinc/30/59/44/557305944.db2.gz IXQJAEBEGFUYRA-LJQANCHMSA-N 0 0 423.727 5.387 50 0 HKAARN Cc1cccc(C(=O)N[C@H](Nc2cccc3ccccc32)C(Cl)(Cl)Cl)c1 ZINC000002066236 557305805 /nfs/dbraw/zinc/30/58/05/557305805.db2.gz SDYVIRNDGBRDAU-IBGZPJMESA-N 0 0 407.728 5.686 50 0 HKAARN Cc1cccc(C(=O)N[C@@H](Nc2cccc3ccccc32)C(Cl)(Cl)Cl)c1 ZINC000002066237 557305994 /nfs/dbraw/zinc/30/59/94/557305994.db2.gz SDYVIRNDGBRDAU-LJQANCHMSA-N 0 0 407.728 5.686 50 0 HKAARN CCCCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000002066285 557305892 /nfs/dbraw/zinc/30/58/92/557305892.db2.gz JLXIQRKHMOMLFT-CLCOLTQESA-N 0 0 416.521 5.812 50 0 HKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)CCCCC3 ZINC000002066418 557305878 /nfs/dbraw/zinc/30/58/78/557305878.db2.gz ICBBQNAFEJHWBJ-UHFFFAOYSA-N 0 0 418.587 6.008 50 0 HKAARN Cn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002066641 557305859 /nfs/dbraw/zinc/30/58/59/557305859.db2.gz GJVVEXOLUAEKGZ-UHFFFAOYSA-N 0 0 402.563 5.498 50 0 biogenic HKAARN CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002066644 557305904 /nfs/dbraw/zinc/30/59/04/557305904.db2.gz PYNOILLHGJPYKW-UHFFFAOYSA-N 0 0 402.563 5.770 50 0 HKAARN CCCCCCc1cc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2cc1O ZINC000002066694 557305883 /nfs/dbraw/zinc/30/58/83/557305883.db2.gz VYSHEXGEQDXRJB-UHFFFAOYSA-N 0 0 405.519 6.412 50 0 biogenic HKAARN O=C1OC(c2ccccc2)=N/C1=C(\Sc1nc2ccccc2s1)c1ccccc1 ZINC000002066705 569073971 /nfs/dbraw/zinc/07/39/71/569073971.db2.gz YPJSINXLYOTBRC-VXPUYCOJSA-N 0 0 414.511 5.761 50 0 HKAARN O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000002066711 569073972 /nfs/dbraw/zinc/07/39/72/569073972.db2.gz WQEYNCGZVYOJEX-RCCKNPSSSA-N 0 0 417.306 5.279 50 0 HKAARN CCC(=O)N1c2ccc([C@@]3(C)CC(C)(C)Nc4ccccc43)cc2C(C)=CC1(C)C ZINC000002066723 132248793 /nfs/dbraw/zinc/24/87/93/132248793.db2.gz ZKAQWQOXEQOBLO-HHHXNRCGSA-N 0 0 402.582 6.525 50 0 HKAARN CCC(=O)N1c2ccc([C@]3(C)CC(C)(C)Nc4ccccc43)cc2C(C)=CC1(C)C ZINC000002066724 132248757 /nfs/dbraw/zinc/24/87/57/132248757.db2.gz ZKAQWQOXEQOBLO-MHZLTWQESA-N 0 0 402.582 6.525 50 0 HKAARN COc1ccc(C(=O)N2c3ccc(C)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002066725 132248796 /nfs/dbraw/zinc/24/87/96/132248796.db2.gz CPBRTESNYFLWKJ-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN CCCCOc1ccc(-c2nnc(-c3ccc(-c4ccc(OC)cc4)cc3)o2)cc1 ZINC000002066903 557305844 /nfs/dbraw/zinc/30/58/44/557305844.db2.gz IRFPQPMREYNYLI-UHFFFAOYSA-N 0 0 400.478 6.258 50 0 HKAARN CCCCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 ZINC000002067123 557306094 /nfs/dbraw/zinc/30/60/94/557306094.db2.gz PMPXUQUTCTXCEP-UHFFFAOYSA-N 0 0 409.555 5.579 50 0 HKAARN CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000002067204 557306156 /nfs/dbraw/zinc/30/61/56/557306156.db2.gz DDZLXGRWNHORRB-UHFFFAOYSA-N 0 0 420.310 5.282 50 0 HKAARN COc1ccc(NP(=O)(Oc2ccccc2OC)Oc2ccccc2OC)cc1 ZINC000002067627 557306215 /nfs/dbraw/zinc/30/62/15/557306215.db2.gz WOUVGEZQFBQYAP-UHFFFAOYSA-N 0 0 415.382 5.390 50 0 HKAARN CCCCc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000002067638 557306162 /nfs/dbraw/zinc/30/61/62/557306162.db2.gz YMGJOFPKEOIPSG-DEOSSOPVSA-N 0 0 409.932 7.248 50 0 HKAARN CCCCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000002067639 557306229 /nfs/dbraw/zinc/30/62/29/557306229.db2.gz YMGJOFPKEOIPSG-XMMPIXPASA-N 0 0 409.932 7.248 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc5ccccc54)c3)oc2c(C)c1 ZINC000002067812 557306188 /nfs/dbraw/zinc/30/61/88/557306188.db2.gz AWGURTQEOKRWKW-UHFFFAOYSA-N 0 0 406.485 6.826 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2C1=O ZINC000002068210 557306112 /nfs/dbraw/zinc/30/61/12/557306112.db2.gz QCLDUUXNUVDQEN-QUZZAMIASA-N 0 0 419.521 5.413 50 0 HKAARN O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000002068332 557306429 /nfs/dbraw/zinc/30/64/29/557306429.db2.gz KZNMRWLKWFLVJX-UHFFFAOYSA-N 0 0 418.276 5.284 50 0 HKAARN CCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 ZINC000002068446 557306414 /nfs/dbraw/zinc/30/64/14/557306414.db2.gz AKYOANGHVSSQPV-UHFFFAOYSA-N 0 0 422.532 6.619 50 0 HKAARN CCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 ZINC000002068482 557306375 /nfs/dbraw/zinc/30/63/75/557306375.db2.gz SQRBFUCXEVABJO-JOCHJYFZSA-N 0 0 424.338 6.274 50 0 HKAARN CCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 ZINC000002068483 557306394 /nfs/dbraw/zinc/30/63/94/557306394.db2.gz SQRBFUCXEVABJO-QFIPXVFZSA-N 0 0 424.338 6.274 50 0 HKAARN Cc1cccc(NC(=O)C(Nc2cccc(C)c2)(c2ccccc2)c2ccccc2)c1 ZINC000002068505 557306361 /nfs/dbraw/zinc/30/63/61/557306361.db2.gz GJLQAWSGRRNHCJ-UHFFFAOYSA-N 0 0 406.529 6.298 50 0 HKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002068723 557306357 /nfs/dbraw/zinc/30/63/57/557306357.db2.gz PJCSTJNURSHXSN-QFIPXVFZSA-N 0 0 409.451 6.267 50 0 HKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002068724 557306382 /nfs/dbraw/zinc/30/63/82/557306382.db2.gz PJCSTJNURSHXSN-JOCHJYFZSA-N 0 0 409.451 6.267 50 0 HKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(Cl)cc1Cl ZINC000002068749 557306345 /nfs/dbraw/zinc/30/63/45/557306345.db2.gz JIFFGUDTXBKLNZ-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc54)ccc3o2)cc1 ZINC000002068754 557306353 /nfs/dbraw/zinc/30/63/53/557306353.db2.gz RSORVDGNPYUFHH-UHFFFAOYSA-N 0 0 420.512 7.198 50 0 HKAARN COc1ccc2c(c1)N(C(=O)c1cccc(C)c1)C(C)(C)c1ssc(=S)c1-2 ZINC000002068780 132248745 /nfs/dbraw/zinc/24/87/45/132248745.db2.gz XVGDYEBWCMUSOR-UHFFFAOYSA-N 0 0 413.589 6.419 50 0 HKAARN CCOc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002068836 132248747 /nfs/dbraw/zinc/24/87/47/132248747.db2.gz BFWLRWIXGDBTCI-UHFFFAOYSA-N 0 0 413.589 6.500 50 0 HKAARN CCCCOc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 ZINC000002068839 557306408 /nfs/dbraw/zinc/30/64/08/557306408.db2.gz IHVZLDXCNZKTKJ-UHFFFAOYSA-N 0 0 410.608 7.083 50 0 HKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1F ZINC000002068850 132248771 /nfs/dbraw/zinc/24/87/71/132248771.db2.gz LQEDNEZDTIQEFR-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN CCCCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002068917 557306433 /nfs/dbraw/zinc/30/64/33/557306433.db2.gz DBOKHKXPDJDFBK-UHFFFAOYSA-N 0 0 424.324 5.748 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002069070 557306565 /nfs/dbraw/zinc/30/65/65/557306565.db2.gz SJQUEMVDIWFXQR-GZTJUZNOSA-N 0 0 417.770 5.963 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002069071 569073799 /nfs/dbraw/zinc/07/37/99/569073799.db2.gz SJQUEMVDIWFXQR-BOPFTXTBSA-N 0 0 417.770 5.963 50 0 HKAARN CC(C)(C)c1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc(C(C)(C)C)c1O ZINC000002069080 557306578 /nfs/dbraw/zinc/30/65/78/557306578.db2.gz BJKLKIMDEPHVMV-WOJGMQOQSA-N 0 0 421.493 5.060 50 0 HKAARN CC(C)(C)c1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc(C(C)(C)C)c1O ZINC000002069081 569073843 /nfs/dbraw/zinc/07/38/43/569073843.db2.gz BJKLKIMDEPHVMV-WQRHYEAKSA-N 0 0 421.493 5.060 50 0 HKAARN CSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002069122 557306683 /nfs/dbraw/zinc/30/66/83/557306683.db2.gz XDBXCTTYLRGZOT-UHFFFAOYSA-N 0 0 408.611 5.971 50 0 biogenic HKAARN CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002069123 557306604 /nfs/dbraw/zinc/30/66/04/557306604.db2.gz WOJLFCNGMCPBES-UHFFFAOYSA-N 0 0 422.638 6.361 50 0 biogenic HKAARN COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4ccccc4cc(OC)c3O2)cc1 ZINC000002069316 557306643 /nfs/dbraw/zinc/30/66/43/557306643.db2.gz UYABAZNKMIFAFI-UHFFFAOYSA-N 0 0 424.496 6.215 50 0 biogenic HKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000002069493 557306587 /nfs/dbraw/zinc/30/65/87/557306587.db2.gz CMHZBPDMLCRDMZ-UHFFFAOYSA-N 0 0 406.485 6.859 50 0 HKAARN CCN(CC)c1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 ZINC000002069502 557306613 /nfs/dbraw/zinc/30/66/13/557306613.db2.gz QZNVCMQJIZCFTR-FQEVSTJZSA-N 0 0 414.549 5.814 50 0 HKAARN CCN(CC)c1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 ZINC000002069503 557306636 /nfs/dbraw/zinc/30/66/36/557306636.db2.gz QZNVCMQJIZCFTR-HXUWFJFHSA-N 0 0 414.549 5.814 50 0 HKAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(-c2ccccc2)cc1 ZINC000002069541 557306678 /nfs/dbraw/zinc/30/66/78/557306678.db2.gz IILXWNWQXVNFHB-UHFFFAOYSA-N 0 0 403.275 6.489 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 ZINC000002069579 557306693 /nfs/dbraw/zinc/30/66/93/557306693.db2.gz ILLUJMGZDKLXGN-UHFFFAOYSA-N 0 0 418.540 6.975 50 0 HKAARN CCc1ccc(C)c(OC(=O)c2ccc(C(=O)Oc3cc(CC)ccc3C)cc2)c1 ZINC000002069590 557306574 /nfs/dbraw/zinc/30/65/74/557306574.db2.gz RWCUOTFXWZIAQS-UHFFFAOYSA-N 0 0 402.490 5.867 50 0 HKAARN Cc1ccccc1NC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000002069596 557306602 /nfs/dbraw/zinc/30/66/02/557306602.db2.gz UOCTZQHMYOWFFD-UHFFFAOYSA-N 0 0 420.512 6.475 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1 ZINC000002069597 557306582 /nfs/dbraw/zinc/30/65/82/557306582.db2.gz DHRIVWISWYGZPG-UHFFFAOYSA-N 0 0 420.512 6.475 50 0 HKAARN O=C(NC1CCCCC1)c1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000002069598 557306623 /nfs/dbraw/zinc/30/66/23/557306623.db2.gz PMUITBLFPQBZCQ-UHFFFAOYSA-N 0 0 404.554 5.479 50 0 HKAARN O=C(Oc1ccc2ccc(OC(=O)c3cccc(F)c3)cc2c1)c1cccc(F)c1 ZINC000002069607 557306570 /nfs/dbraw/zinc/30/65/70/557306570.db2.gz XJZYBPPCPWRAGT-UHFFFAOYSA-N 0 0 404.368 5.556 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(C)c(C)c4)cc3c2)cc1C ZINC000002069617 557306651 /nfs/dbraw/zinc/30/66/51/557306651.db2.gz VKZWRIDLIDLPLL-UHFFFAOYSA-N 0 0 424.496 6.512 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1I ZINC000002069624 557306668 /nfs/dbraw/zinc/30/66/68/557306668.db2.gz CZEAYIRKSQFCDE-UHFFFAOYSA-N 0 0 407.295 5.790 50 0 HKAARN O=C(/C=C/c1ccccc1)Oc1ccc2ccc(OC(=O)/C=C/c3ccccc3)cc2c1 ZINC000002069625 557306657 /nfs/dbraw/zinc/30/66/57/557306657.db2.gz OZAJHCCSSUAVGM-JYFOCSDGSA-N 0 0 420.464 6.077 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000002069642 557306954 /nfs/dbraw/zinc/30/69/54/557306954.db2.gz WBMBEUGQQUWRQT-GOSISDBHSA-N 0 0 419.952 6.512 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000002069643 557306933 /nfs/dbraw/zinc/30/69/33/557306933.db2.gz WBMBEUGQQUWRQT-SFHVURJKSA-N 0 0 419.952 6.512 50 0 HKAARN O=C(Oc1ccc2ccc(OC(=O)c3ccccc3F)cc2c1)c1ccccc1F ZINC000002069658 557306951 /nfs/dbraw/zinc/30/69/51/557306951.db2.gz HIWZPFXKVAOACG-UHFFFAOYSA-N 0 0 404.368 5.556 50 0 HKAARN O=C(Nc1cccc(OC(=O)c2cccc3ccccc32)c1)c1cccc2ccccc21 ZINC000002069673 557306943 /nfs/dbraw/zinc/30/69/43/557306943.db2.gz CTOVNXRCEJOOTL-UHFFFAOYSA-N 0 0 417.464 6.465 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002069692 557306948 /nfs/dbraw/zinc/30/69/48/557306948.db2.gz SIDFEIYCPXYJNB-UHFFFAOYSA-N 0 0 403.831 6.520 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000002069702 557306910 /nfs/dbraw/zinc/30/69/10/557306910.db2.gz NVLSZOAZGOYRMI-UHFFFAOYSA-N 0 0 405.497 6.078 50 0 HKAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3c(Br)cccc3c2)cc1 ZINC000002069708 557306957 /nfs/dbraw/zinc/30/69/57/557306957.db2.gz GFEQHJNEELPGMI-UHFFFAOYSA-N 0 0 419.340 5.668 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 ZINC000002069724 557306900 /nfs/dbraw/zinc/30/69/00/557306900.db2.gz NKIQNWAFCGBPBL-UHFFFAOYSA-N 0 0 420.512 6.475 50 0 HKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002069725 557306980 /nfs/dbraw/zinc/30/69/80/557306980.db2.gz FEFMVLNRMJKDDX-UHFFFAOYSA-N 0 0 420.940 6.035 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002069730 557306915 /nfs/dbraw/zinc/30/69/15/557306915.db2.gz GAHUYORHELCIAX-UHFFFAOYSA-N 0 0 410.448 5.997 50 0 HKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000002069746 557306906 /nfs/dbraw/zinc/30/69/06/557306906.db2.gz CWNKNSWKIOORSE-UHFFFAOYSA-N 0 0 400.950 5.666 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 ZINC000002069747 557306975 /nfs/dbraw/zinc/30/69/75/557306975.db2.gz IJKHFLAYQQAMCI-UHFFFAOYSA-N 0 0 412.961 5.952 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 ZINC000002069749 557306945 /nfs/dbraw/zinc/30/69/45/557306945.db2.gz WGPFEBVQJWQJHP-UHFFFAOYSA-N 0 0 424.903 6.281 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002069764 560584211 /nfs/dbraw/zinc/58/42/11/560584211.db2.gz HXORBARUAQOLSL-UHFFFAOYSA-N 0 0 403.240 5.637 50 0 HKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c2)c1 ZINC000002069822 557306978 /nfs/dbraw/zinc/30/69/78/557306978.db2.gz MXFGCOAAAPIEMU-FQEVSTJZSA-N 0 0 414.549 6.188 50 0 HKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c2)c1 ZINC000002069823 557306960 /nfs/dbraw/zinc/30/69/60/557306960.db2.gz MXFGCOAAAPIEMU-HXUWFJFHSA-N 0 0 414.549 6.188 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000002069831 557306922 /nfs/dbraw/zinc/30/69/22/557306922.db2.gz WXAKGVFYXRDWFZ-UHFFFAOYSA-N 0 0 412.848 5.382 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000002069862 557306963 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HKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(C)c1 ZINC000002079793 557309234 /nfs/dbraw/zinc/30/92/34/557309234.db2.gz RCKROUYASHWYBB-UHFFFAOYSA-N 0 0 414.936 7.041 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c1 ZINC000002079795 557309240 /nfs/dbraw/zinc/30/92/40/557309240.db2.gz BDTUUZSAYSRTQI-UHFFFAOYSA-N 0 0 414.936 7.041 50 0 HKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@@H](C)c3ccccc3)c2c1 ZINC000002079796 557309409 /nfs/dbraw/zinc/30/94/09/557309409.db2.gz KCZFBCWHCRSHKO-SFHVURJKSA-N 0 0 414.936 6.663 50 0 HKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000002079797 557309394 /nfs/dbraw/zinc/30/93/94/557309394.db2.gz KCZFBCWHCRSHKO-GOSISDBHSA-N 0 0 414.936 6.663 50 0 HKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 ZINC000002079798 557309504 /nfs/dbraw/zinc/30/95/04/557309504.db2.gz SHLCGMWJCFVWMW-UHFFFAOYSA-N 0 0 404.872 6.563 50 0 HKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3OC)c2c1 ZINC000002079799 557309535 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Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CCCC2)cc1 ZINC000002081338 557309739 /nfs/dbraw/zinc/30/97/39/557309739.db2.gz HEQKOWSLXYBORP-UHFFFAOYSA-N 0 0 418.587 5.927 50 0 HKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1C1CCCCC1)CCCC3 ZINC000002081343 557309647 /nfs/dbraw/zinc/30/96/47/557309647.db2.gz SFOBWHITSBVELB-UHFFFAOYSA-N 0 0 410.608 6.134 50 0 HKAARN Cc1sc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C(=O)OC(C)C)c1C ZINC000002081346 557309654 /nfs/dbraw/zinc/30/96/54/557309654.db2.gz FAWSRLCWPXOHBF-SOFGYWHQSA-N 0 0 412.338 5.889 50 0 HKAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4C)nc4ccccc43)sc2c1 ZINC000002081383 557309722 /nfs/dbraw/zinc/30/97/22/557309722.db2.gz KJCXEFSERFFVKO-UHFFFAOYSA-N 0 0 423.541 6.689 50 0 HKAARN O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002081466 557309658 /nfs/dbraw/zinc/30/96/58/557309658.db2.gz HEYVZOCOHYYJCX-UHFFFAOYSA-N 0 0 421.327 6.181 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000002081478 557309701 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Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000002086049 557311440 /nfs/dbraw/zinc/31/14/40/557311440.db2.gz DGKMNBOTBRQFAW-UHFFFAOYSA-N 0 0 421.327 6.447 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(F)cc4F)cs3)sc2c1 ZINC000002086050 557311429 /nfs/dbraw/zinc/31/14/29/557311429.db2.gz OCNNPYBGGHCKBI-UHFFFAOYSA-N 0 0 420.893 6.517 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002086061 557311434 /nfs/dbraw/zinc/31/14/34/557311434.db2.gz KCSZXMJGTMMFQI-UHFFFAOYSA-N 0 0 410.473 5.639 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000002086062 557311490 /nfs/dbraw/zinc/31/14/90/557311490.db2.gz RRCGFGFYAKNISS-UHFFFAOYSA-N 0 0 407.300 6.769 50 0 HKAARN Cc1cc2c(cc1C)-c1c(ss/c1=N\c1cccc3ccccc31)C(C)(C)N2 ZINC000002086117 557311501 /nfs/dbraw/zinc/31/15/01/557311501.db2.gz XQJLOKFNVPMRRU-BZZOAKBMSA-N 0 0 402.588 7.140 50 0 HKAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC(C)C ZINC000002086122 557311532 /nfs/dbraw/zinc/31/15/32/557311532.db2.gz GVTHCFIXMKZUDM-UHFFFAOYSA-N 0 0 423.918 5.093 50 0 HKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002086127 557311515 /nfs/dbraw/zinc/31/15/15/557311515.db2.gz ZIHXQBDYTJDNOO-UHFFFAOYSA-N 0 0 420.317 6.069 50 0 HKAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000002086128 557311469 /nfs/dbraw/zinc/31/14/69/557311469.db2.gz BOHIFEZLMALNAQ-UHFFFAOYSA-N 0 0 406.551 5.913 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)N1CCc2ccccc21 ZINC000002086171 557311551 /nfs/dbraw/zinc/31/15/51/557311551.db2.gz VCNNSCNYKWFWEJ-UHFFFAOYSA-N 0 0 419.311 6.412 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002086326 557311538 /nfs/dbraw/zinc/31/15/38/557311538.db2.gz ZFRBQKXTOZHVDB-VWLOTQADSA-N 0 0 411.526 6.951 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002086327 557311494 /nfs/dbraw/zinc/31/14/94/557311494.db2.gz ZFRBQKXTOZHVDB-RUZDIDTESA-N 0 0 411.526 6.951 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000002086343 557311545 /nfs/dbraw/zinc/31/15/45/557311545.db2.gz RTAXYAJQCVVCNR-UHFFFAOYSA-N 0 0 406.913 6.142 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)c3ccccc3n2)cc1 ZINC000002086353 557311557 /nfs/dbraw/zinc/31/15/57/557311557.db2.gz SBOUEKPFQWNXHQ-UHFFFAOYSA-N 0 0 409.514 6.381 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCCCC2 ZINC000002086420 557311527 /nfs/dbraw/zinc/31/15/27/557311527.db2.gz MQOGHLRRDLCBGM-UHFFFAOYSA-N 0 0 419.546 6.113 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002086429 557311510 /nfs/dbraw/zinc/31/15/10/557311510.db2.gz XITWSPBJZWRTKS-UHFFFAOYSA-N 0 0 424.500 6.008 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000002086480 569364102 /nfs/dbraw/zinc/36/41/02/569364102.db2.gz FGKZJFXNJFFZOB-UHFFFAOYSA-N 0 0 418.324 6.055 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CCCCC(=O)Nc1c(C)cccc1C(C)C ZINC000002086507 557311417 /nfs/dbraw/zinc/31/14/17/557311417.db2.gz PZQAMVHQAWTPBV-UHFFFAOYSA-N 0 0 408.586 6.688 50 0 HKAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)cc1 ZINC000002086527 557311523 /nfs/dbraw/zinc/31/15/23/557311523.db2.gz WZWWONXGHUOUGU-UHFFFAOYSA-N 0 0 400.547 6.867 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000002086613 557311735 /nfs/dbraw/zinc/31/17/35/557311735.db2.gz BZWCHDGPFXSLFV-OAHLLOKOSA-N 0 0 420.965 7.383 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000002086614 557311651 /nfs/dbraw/zinc/31/16/51/557311651.db2.gz BZWCHDGPFXSLFV-HNNXBMFYSA-N 0 0 420.965 7.383 50 0 HKAARN CCOc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3C)sc2c1 ZINC000002086653 557311657 /nfs/dbraw/zinc/31/16/57/557311657.db2.gz SROBRHQPNUGPOD-UHFFFAOYSA-N 0 0 404.919 5.455 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CCCCCC2 ZINC000002086745 557311689 /nfs/dbraw/zinc/31/16/89/557311689.db2.gz OQHDSRAXEDGOQG-UHFFFAOYSA-N 0 0 401.528 5.235 50 0 HKAARN COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCCC2 ZINC000002086746 557311678 /nfs/dbraw/zinc/31/16/78/557311678.db2.gz XDKDYILNWSXLPD-UHFFFAOYSA-N 0 0 413.873 5.378 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002086911 557311694 /nfs/dbraw/zinc/31/16/94/557311694.db2.gz MBXPDDWJVRJGTC-HXUWFJFHSA-N 0 0 407.543 5.418 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002086912 557311725 /nfs/dbraw/zinc/31/17/25/557311725.db2.gz MBXPDDWJVRJGTC-FQEVSTJZSA-N 0 0 407.543 5.418 50 0 HKAARN Clc1ccccc1CSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000002087032 557311667 /nfs/dbraw/zinc/31/16/67/557311667.db2.gz XPOJGKOMAXHZHH-UHFFFAOYSA-N 0 0 424.957 5.949 50 0 biogenic HKAARN Clc1ccccc1CSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 ZINC000002087197 557311707 /nfs/dbraw/zinc/31/17/07/557311707.db2.gz UYPXZJSINXNZFO-UHFFFAOYSA-N 0 0 410.930 5.559 50 0 biogenic HKAARN Fc1ccccc1CSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000002087222 557311642 /nfs/dbraw/zinc/31/16/42/557311642.db2.gz TZLGBHNSYSYBDQ-UHFFFAOYSA-N 0 0 408.502 5.435 50 0 biogenic HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002087410 557311704 /nfs/dbraw/zinc/31/17/04/557311704.db2.gz QNGLMOONLOYIKL-UHFFFAOYSA-N 0 0 401.893 6.002 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@H](C)C2 ZINC000002087448 557311662 /nfs/dbraw/zinc/31/16/62/557311662.db2.gz LMZFLIAIXPAXJY-AWEZNQCLSA-N 0 0 401.528 5.091 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@@H](C)C2 ZINC000002087449 557311753 /nfs/dbraw/zinc/31/17/53/557311753.db2.gz LMZFLIAIXPAXJY-CQSZACIVSA-N 0 0 401.528 5.091 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000002087500 557311636 /nfs/dbraw/zinc/31/16/36/557311636.db2.gz BIHANUHEEPRMNV-UHFFFAOYSA-N 0 0 420.723 6.156 50 0 HKAARN Cc1nc2c(cc(Oc3nc(C)nc4sc5c(c43)CCCC5)c3ccsc32)s1 ZINC000002087628 557311748 /nfs/dbraw/zinc/31/17/48/557311748.db2.gz POUFOOTXLKTLKT-UHFFFAOYSA-N 0 0 423.588 6.804 50 0 HKAARN Cc1nc2c(cc(Oc3nc(C)nc4sc5c(c43)CCC5)c3ccsc32)s1 ZINC000002087910 557311744 /nfs/dbraw/zinc/31/17/44/557311744.db2.gz WWZAECDDLDGVRP-UHFFFAOYSA-N 0 0 409.561 6.414 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C[C@@H](C(C)(C)C)CC2 ZINC000002087945 557311712 /nfs/dbraw/zinc/31/17/12/557311712.db2.gz BOAYTDQQRLHZTB-SFHVURJKSA-N 0 0 421.562 6.091 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C[C@H](C(C)(C)C)CC2 ZINC000002087946 557311701 /nfs/dbraw/zinc/31/17/01/557311701.db2.gz BOAYTDQQRLHZTB-GOSISDBHSA-N 0 0 421.562 6.091 50 0 HKAARN CC(C)c1ccccc1NC(=O)CCSCCC(=O)Nc1ccccc1C(C)C ZINC000002088103 557311980 /nfs/dbraw/zinc/31/19/80/557311980.db2.gz RJHYHJRGFRSVBC-UHFFFAOYSA-N 0 0 412.599 6.024 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 ZINC000002088161 557311998 /nfs/dbraw/zinc/31/19/98/557311998.db2.gz RGWBANGGSLLXEG-UHFFFAOYSA-N 0 0 406.407 6.481 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000002088222 557311967 /nfs/dbraw/zinc/31/19/67/557311967.db2.gz AXWKTPBGPFNXIZ-UHFFFAOYSA-N 0 0 423.534 5.940 50 0 HKAARN CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1c(F)cccc1F ZINC000002088223 557312049 /nfs/dbraw/zinc/31/20/49/557312049.db2.gz PTMAAJZEYOCBRB-UHFFFAOYSA-N 0 0 415.461 5.739 50 0 HKAARN CCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000002088235 557312045 /nfs/dbraw/zinc/31/20/45/557312045.db2.gz RYVFESMAUCOZKV-UHFFFAOYSA-N 0 0 412.489 5.952 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002088250 557312042 /nfs/dbraw/zinc/31/20/42/557312042.db2.gz YGBPZGQZWXEZHG-UHFFFAOYSA-N 0 0 400.909 6.931 50 0 HKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000002088255 557312016 /nfs/dbraw/zinc/31/20/16/557312016.db2.gz MCQRSSHGNXRBMN-UHFFFAOYSA-N 0 0 413.470 5.380 50 0 HKAARN CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002088304 557312079 /nfs/dbraw/zinc/31/20/79/557312079.db2.gz RTJGNFZLTSHNNN-UHFFFAOYSA-N 0 0 400.909 6.931 50 0 HKAARN CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(F)cccc1F ZINC000002088315 557312007 /nfs/dbraw/zinc/31/20/07/557312007.db2.gz PDLLZYZAZPIBSA-UHFFFAOYSA-N 0 0 401.434 5.511 50 0 HKAARN CCCOc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1 ZINC000002088353 557312036 /nfs/dbraw/zinc/31/20/36/557312036.db2.gz WHAFMGIGAXQFHU-UHFFFAOYSA-N 0 0 408.501 5.894 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000002088367 557312063 /nfs/dbraw/zinc/31/20/63/557312063.db2.gz UWPTXWRUQIQOBD-UHFFFAOYSA-N 0 0 409.507 5.631 50 0 HKAARN CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(OC(C)C)c1 ZINC000002088377 557311986 /nfs/dbraw/zinc/31/19/86/557311986.db2.gz MRMDPRCDIRNKHG-UHFFFAOYSA-N 0 0 423.534 6.020 50 0 HKAARN CCOc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)c1 ZINC000002088382 557312069 /nfs/dbraw/zinc/31/20/69/557312069.db2.gz KDGJSHLNVXOKLQ-UHFFFAOYSA-N 0 0 409.507 5.631 50 0 HKAARN CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1cccc(OCC)c1 ZINC000002088384 557312196 /nfs/dbraw/zinc/31/21/96/557312196.db2.gz WDTWMHWXZCOFJX-UHFFFAOYSA-N 0 0 423.534 5.860 50 0 HKAARN CCOc1cccc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)c1 ZINC000002088392 557312209 /nfs/dbraw/zinc/31/22/09/557312209.db2.gz UDRXYYBBAATDLD-UHFFFAOYSA-N 0 0 415.898 5.506 50 0 HKAARN CCCOc1cccc(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)c1 ZINC000002088420 557312247 /nfs/dbraw/zinc/31/22/47/557312247.db2.gz REFGTRCMHNNMHI-UHFFFAOYSA-N 0 0 423.534 5.860 50 0 HKAARN CCCOc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)c1 ZINC000002088425 557312173 /nfs/dbraw/zinc/31/21/73/557312173.db2.gz ULPDYWLVSLGQNG-UHFFFAOYSA-N 0 0 423.534 6.021 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc21 ZINC000002088673 557312213 /nfs/dbraw/zinc/31/22/13/557312213.db2.gz HGFPXJHCZPZTDG-UHFFFAOYSA-N 0 0 424.544 6.670 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c1 ZINC000002088674 557312220 /nfs/dbraw/zinc/31/22/20/557312220.db2.gz WEWXSPCFERVWQB-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN Cc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1C ZINC000002088688 557312216 /nfs/dbraw/zinc/31/22/16/557312216.db2.gz YXUFLVHUQVNQTM-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCCC2 ZINC000002088718 557312169 /nfs/dbraw/zinc/31/21/69/557312169.db2.gz KVBOIJPHPYPGEV-UHFFFAOYSA-N 0 0 421.946 5.255 50 0 HKAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc4ccccc43)oc2cc1O ZINC000002088935 557312154 /nfs/dbraw/zinc/31/21/54/557312154.db2.gz KKIYVIWETXKTNL-SGEDCAFJSA-N 0 0 414.505 5.746 50 0 HKAARN CC(C)OC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCC1 ZINC000002088974 557312258 /nfs/dbraw/zinc/31/22/58/557312258.db2.gz VWMMYGQUFKJTTP-UHFFFAOYSA-N 0 0 422.344 5.481 50 0 HKAARN O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002088980 557312230 /nfs/dbraw/zinc/31/22/30/557312230.db2.gz YCRBWMHEBBQHMC-UHFFFAOYSA-N 0 0 409.327 5.727 50 0 HKAARN CC(C)Oc1ccccc1-c1cc(C(=O)NC2CCCCCC2)c2ccccc2n1 ZINC000002089008 557312233 /nfs/dbraw/zinc/31/22/33/557312233.db2.gz NIAYJHJJSMRPAV-UHFFFAOYSA-N 0 0 402.538 6.142 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c3ccccc3n2)cc1C ZINC000002089027 557312203 /nfs/dbraw/zinc/31/22/03/557312203.db2.gz WHAXLXYWXRZUNB-UTKZUKDTSA-N 0 0 400.566 6.463 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c3ccccc3n2)cc1C ZINC000002089028 557312251 /nfs/dbraw/zinc/31/22/51/557312251.db2.gz WHAXLXYWXRZUNB-DYESRHJHSA-N 0 0 400.566 6.463 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c3ccccc3n2)cc1C ZINC000002089029 557312200 /nfs/dbraw/zinc/31/22/00/557312200.db2.gz WHAXLXYWXRZUNB-UWJYYQICSA-N 0 0 400.566 6.463 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c3ccccc3n2)cc1C ZINC000002089030 557312192 /nfs/dbraw/zinc/31/21/92/557312192.db2.gz WHAXLXYWXRZUNB-LAUBAEHRSA-N 0 0 400.566 6.463 50 0 HKAARN CCOc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002089036 557312137 /nfs/dbraw/zinc/31/21/37/557312137.db2.gz BJTFRSKDXGYBDN-UHFFFAOYSA-N 0 0 416.908 6.515 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1cc(C)oc1C)CCCCCCCCCC2 ZINC000002089041 557312261 /nfs/dbraw/zinc/31/22/61/557312261.db2.gz GSPQZLKLHYLFDY-UHFFFAOYSA-N 0 0 417.571 6.216 50 0 HKAARN COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(C)cc1 ZINC000002089068 557312177 /nfs/dbraw/zinc/31/21/77/557312177.db2.gz TWEZXEBVDRFXMX-UHFFFAOYSA-N 0 0 401.434 5.349 50 0 HKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000002089101 557312144 /nfs/dbraw/zinc/31/21/44/557312144.db2.gz NSEXKIXKCFWYIG-UHFFFAOYSA-N 0 0 413.995 6.753 50 0 HKAARN Cc1ccccc1CSCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000002089112 569280040 /nfs/dbraw/zinc/28/00/40/569280040.db2.gz UPJOWHNNDHEIIB-UHFFFAOYSA-N 0 0 414.423 5.585 50 0 HKAARN CCCOc1cccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c1 ZINC000002089618 557312484 /nfs/dbraw/zinc/31/24/84/557312484.db2.gz UGROLMUHIHRJNR-UHFFFAOYSA-N 0 0 416.565 6.533 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000002089632 557312515 /nfs/dbraw/zinc/31/25/15/557312515.db2.gz APWNIMXVVSYTEU-ZDUSSCGKSA-N 0 0 405.585 5.780 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000002089633 557312488 /nfs/dbraw/zinc/31/24/88/557312488.db2.gz APWNIMXVVSYTEU-CYBMUJFWSA-N 0 0 405.585 5.780 50 0 HKAARN CCCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(C)c1-c1ccc(OC)cc1 ZINC000002089693 557312530 /nfs/dbraw/zinc/31/25/30/557312530.db2.gz BNLLIKFRVJRXBT-UHFFFAOYSA-N 0 0 424.522 5.943 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)c(C)c1 ZINC000002089852 557312526 /nfs/dbraw/zinc/31/25/26/557312526.db2.gz LIPXXYCHJRGIDY-VWLOTQADSA-N 0 0 406.529 6.326 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)c(C)c1 ZINC000002089853 557312453 /nfs/dbraw/zinc/31/24/53/557312453.db2.gz LIPXXYCHJRGIDY-RUZDIDTESA-N 0 0 406.529 6.326 50 0 HKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1 ZINC000002089854 557312440 /nfs/dbraw/zinc/31/24/40/557312440.db2.gz GCJMEVLQOIAXIW-UHFFFAOYSA-N 0 0 417.597 6.492 50 0 HKAARN CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc(C)c1-c1ccccc1 ZINC000002089920 557312445 /nfs/dbraw/zinc/31/24/45/557312445.db2.gz CKTUVEVKQUITLH-UHFFFAOYSA-N 0 0 414.914 6.198 50 0 HKAARN O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)Nc1ccc(Cl)cc1 ZINC000002089926 557312532 /nfs/dbraw/zinc/31/25/32/557312532.db2.gz HFEFSMQCNVSKMF-UHFFFAOYSA-N 0 0 411.958 7.155 50 0 HKAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002089974 557312504 /nfs/dbraw/zinc/31/25/04/557312504.db2.gz DZBZAFDWGRSVEN-UHFFFAOYSA-N 0 0 412.511 5.401 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1c(OCC)ccc2ccccc21 ZINC000002089989 557312540 /nfs/dbraw/zinc/31/25/40/557312540.db2.gz XOSORDSBLNFVEF-UHFFFAOYSA-N 0 0 419.502 5.882 50 0 HKAARN CCCCc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000002090118 557312500 /nfs/dbraw/zinc/31/25/00/557312500.db2.gz KMEGDPNCVLIWSS-UHFFFAOYSA-N 0 0 420.365 7.104 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)c2C(=O)OC)cc1 ZINC000002090132 557312449 /nfs/dbraw/zinc/31/24/49/557312449.db2.gz FQCDCRBOZDJBMR-UHFFFAOYSA-N 0 0 414.914 6.062 50 0 HKAARN COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCCCCCC2 ZINC000002090138 557312521 /nfs/dbraw/zinc/31/25/21/557312521.db2.gz YBPJFUJDBWLDAD-UHFFFAOYSA-N 0 0 414.571 5.327 50 0 HKAARN CCCc1cc2c(cc1OC(C)C)oc(CCC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000002090491 569060426 /nfs/dbraw/zinc/06/04/26/569060426.db2.gz LXOFBDQPZBWBAB-UHFFFAOYSA-N 0 0 408.494 5.881 50 0 biogenic HKAARN CCCCOc1ccc2c(c1)oc(C)c(-c1ccc3oc(C(=O)OCC)cc3c1)c2=O ZINC000002090756 569280324 /nfs/dbraw/zinc/28/03/24/569280324.db2.gz DSTLOOPMCMLNMX-UHFFFAOYSA-N 0 0 420.461 5.870 50 0 biogenic HKAARN COc1cc2c(cc1NC(=O)N1CCCC[C@@H]1c1cccnc1)oc1ccccc12 ZINC000002090969 569280372 /nfs/dbraw/zinc/28/03/72/569280372.db2.gz CIRRHFCOGSZELD-HXUWFJFHSA-N 0 0 401.466 5.749 50 0 biogenic HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(C)c1-c1ccc(OC)cc1 ZINC000002091124 557312463 /nfs/dbraw/zinc/31/24/63/557312463.db2.gz LHXWHYJQCJYBKW-XNTDXEJSSA-N 0 0 421.518 5.561 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000002091158 557312545 /nfs/dbraw/zinc/31/25/45/557312545.db2.gz FNDOTKWFCPEELV-HNNXBMFYSA-N 0 0 417.546 5.857 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000002091161 557312477 /nfs/dbraw/zinc/31/24/77/557312477.db2.gz FNDOTKWFCPEELV-OAHLLOKOSA-N 0 0 417.546 5.857 50 0 HKAARN CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002091271 557312467 /nfs/dbraw/zinc/31/24/67/557312467.db2.gz ZGSPQLBSVLTSIT-GOSISDBHSA-N 0 0 412.338 5.504 50 0 HKAARN CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000002091273 557312471 /nfs/dbraw/zinc/31/24/71/557312471.db2.gz ZGSPQLBSVLTSIT-SFHVURJKSA-N 0 0 412.338 5.504 50 0 HKAARN CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCCC2 ZINC000002091282 557312536 /nfs/dbraw/zinc/31/25/36/557312536.db2.gz WFSNPZUPRLRALF-QGZVFWFLSA-N 0 0 404.359 5.105 50 0 HKAARN CC(C)OC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCC2 ZINC000002091284 557312425 /nfs/dbraw/zinc/31/24/25/557312425.db2.gz WFSNPZUPRLRALF-KRWDZBQOSA-N 0 0 404.359 5.105 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc12 ZINC000002091362 557312696 /nfs/dbraw/zinc/31/26/96/557312696.db2.gz NUPQDJSUDHFDFF-UHFFFAOYSA-N 0 0 402.925 6.521 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc12 ZINC000002091390 568844325 /nfs/dbraw/zinc/84/43/25/568844325.db2.gz JSYGFDYVJFILII-UHFFFAOYSA-N 0 0 423.343 6.866 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002091434 557312701 /nfs/dbraw/zinc/31/27/01/557312701.db2.gz WRGJZONLDCSXHJ-MRXNPFEDSA-N 0 0 421.155 5.377 50 0 HKAARN COc1ccccc1[C@H](CC(=O)NCCc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002091435 569280357 /nfs/dbraw/zinc/28/03/57/569280357.db2.gz DVNLTGRIUMJKRS-RUZDIDTESA-N 0 0 417.549 5.363 50 0 biogenic HKAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000002091436 557312722 /nfs/dbraw/zinc/31/27/22/557312722.db2.gz WRGJZONLDCSXHJ-INIZCTEOSA-N 0 0 421.155 5.377 50 0 HKAARN COc1ccccc1[C@@H](CC(=O)NCCc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002091437 569280326 /nfs/dbraw/zinc/28/03/26/569280326.db2.gz DVNLTGRIUMJKRS-VWLOTQADSA-N 0 0 417.549 5.363 50 0 biogenic HKAARN CCCCCCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3c(C)c2oc1=O ZINC000002091491 569280329 /nfs/dbraw/zinc/28/03/29/569280329.db2.gz MPSBDKSQJVZBBU-UHFFFAOYSA-N 0 0 404.506 6.954 50 0 biogenic HKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCCCCCCC2 ZINC000002091651 557312678 /nfs/dbraw/zinc/31/26/78/557312678.db2.gz SDUCTXWUMPJDAC-UHFFFAOYSA-N 0 0 403.544 5.990 50 0 HKAARN CC(C)c1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002091726 569280465 /nfs/dbraw/zinc/28/04/65/569280465.db2.gz KPOWWWSEMCEWNN-UHFFFAOYSA-N 0 0 413.473 5.601 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(F)c4)c(C)c3cc2c1C ZINC000002091731 569280476 /nfs/dbraw/zinc/28/04/76/569280476.db2.gz YSKSITOYOXMCJR-UHFFFAOYSA-N 0 0 411.404 5.314 50 0 biogenic HKAARN COc1ccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc1OC ZINC000002091784 557312674 /nfs/dbraw/zinc/31/26/74/557312674.db2.gz LLDKELWFIHBGJG-UHFFFAOYSA-N 0 0 418.537 5.762 50 0 HKAARN Cc1cc(=O)oc2cc(O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)ccc12 ZINC000002091852 569060449 /nfs/dbraw/zinc/06/04/49/569060449.db2.gz SECZDKFOYSBARB-DEOSSOPVSA-N 0 0 404.849 5.758 50 0 biogenic HKAARN Cc1cc(=O)oc2cc(O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)ccc12 ZINC000002091854 569060468 /nfs/dbraw/zinc/06/04/68/569060468.db2.gz SECZDKFOYSBARB-XMMPIXPASA-N 0 0 404.849 5.758 50 0 biogenic HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(Cl)cc1C ZINC000002091868 557312703 /nfs/dbraw/zinc/31/27/03/557312703.db2.gz DCBRMRGXSYZMIB-UHFFFAOYSA-N 0 0 409.935 5.301 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002092021 569280545 /nfs/dbraw/zinc/28/05/45/569280545.db2.gz YKRMJZBCWKWMRD-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 biogenic HKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3cccc4ccccc43)sc1C(C)(C)N2 ZINC000002092162 557312706 /nfs/dbraw/zinc/31/27/06/557312706.db2.gz XICBFOGBJHDLMQ-UHFFFAOYSA-N 0 0 418.587 7.148 50 0 HKAARN Cc1cccc(C(=O)N2c3cc(F)ccc3-c3c(ssc3=S)C2(C)C)c1 ZINC000002092164 132248751 /nfs/dbraw/zinc/24/87/51/132248751.db2.gz BAJWNZJKNZKAAJ-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN O=C(c1ccccc1Cl)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000002092184 132248802 /nfs/dbraw/zinc/24/88/02/132248802.db2.gz HVYJBAUDVSYXRK-UHFFFAOYSA-N 0 0 405.828 6.802 50 0 biogenic HKAARN Cc1cccc(C(=O)N2c3ccc(F)cc3-c3c(ssc3=S)C2(C)C)c1 ZINC000002092200 132248936 /nfs/dbraw/zinc/24/89/36/132248936.db2.gz NMAHKIBEMIQDNR-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN O=c1oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc2c2c1CCCCC2 ZINC000002092281 569280446 /nfs/dbraw/zinc/28/04/46/569280446.db2.gz IVKAAZPYRUSPJB-UHFFFAOYSA-N 0 0 406.481 7.142 50 0 biogenic HKAARN CCCOc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002092293 557312648 /nfs/dbraw/zinc/31/26/48/557312648.db2.gz FRTQCBKEWIDTQA-RCCKNPSSSA-N 0 0 401.462 5.372 50 0 HKAARN CCCOc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002092294 569280418 /nfs/dbraw/zinc/28/04/18/569280418.db2.gz FRTQCBKEWIDTQA-QNGOZBTKSA-N 0 0 401.462 5.372 50 0 HKAARN Cc1cc2c(cc1C)N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002092373 132248962 /nfs/dbraw/zinc/24/89/62/132248962.db2.gz ICIQHVLMSJEERL-UHFFFAOYSA-N 0 0 415.580 6.858 50 0 HKAARN Cc1cc2c(cc1C)-c1c(=S)n(-c3cccc4ccccc43)sc1C(C)(C)N2 ZINC000002092445 557312660 /nfs/dbraw/zinc/31/26/60/557312660.db2.gz HAUZWEJXWAVNOK-UHFFFAOYSA-N 0 0 402.588 7.366 50 0 HKAARN COc1ccc([C@H](CCNC(=O)C[C@@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 ZINC000002092469 569280435 /nfs/dbraw/zinc/28/04/35/569280435.db2.gz MIXSEIOQJWDTQT-ILBGXUMGSA-N 0 0 419.565 5.951 50 0 biogenic HKAARN COc1ccc([C@@H](CCNC(=O)C[C@@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 ZINC000002092470 569280448 /nfs/dbraw/zinc/28/04/48/569280448.db2.gz MIXSEIOQJWDTQT-NOZRDPDXSA-N 0 0 419.565 5.951 50 0 biogenic HKAARN COc1ccc([C@H](CCNC(=O)C[C@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 ZINC000002092472 569280438 /nfs/dbraw/zinc/28/04/38/569280438.db2.gz MIXSEIOQJWDTQT-UKILVPOCSA-N 0 0 419.565 5.951 50 0 biogenic HKAARN COc1ccc([C@@H](CCNC(=O)C[C@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 ZINC000002092474 569280442 /nfs/dbraw/zinc/28/04/42/569280442.db2.gz MIXSEIOQJWDTQT-ZCYQVOJMSA-N 0 0 419.565 5.951 50 0 biogenic HKAARN CCCCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000002092494 569280421 /nfs/dbraw/zinc/28/04/21/569280421.db2.gz BVXPBDSGABLXJI-UHFFFAOYSA-N 0 0 417.505 6.070 50 0 biogenic HKAARN Cc1c2occ(-c3ccc(Br)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 ZINC000002092507 569280419 /nfs/dbraw/zinc/28/04/19/569280419.db2.gz OPGHXJDNQBNWSV-UHFFFAOYSA-N 0 0 423.306 6.546 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cc(C)cc(C)c4)c(C)c3cc2c1C ZINC000002092906 569280534 /nfs/dbraw/zinc/28/05/34/569280534.db2.gz KNFKXEIMCGWVJY-UHFFFAOYSA-N 0 0 403.478 5.653 50 0 biogenic HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccccc1Cl ZINC000002092967 569280518 /nfs/dbraw/zinc/28/05/18/569280518.db2.gz HJKLQICVPYFYHQ-UHFFFAOYSA-N 0 0 405.837 5.131 50 0 biogenic HKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)C1 ZINC000002092989 557312628 /nfs/dbraw/zinc/31/26/28/557312628.db2.gz IIEUCVWMELAYLM-AWEZNQCLSA-N 0 0 419.974 5.982 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)C1 ZINC000002092990 557312606 /nfs/dbraw/zinc/31/26/06/557312606.db2.gz IIEUCVWMELAYLM-CQSZACIVSA-N 0 0 419.974 5.982 50 0 HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)cc(C)c3)c(C)c2oc1=O ZINC000002093059 569280582 /nfs/dbraw/zinc/28/05/82/569280582.db2.gz SZCYWJDWBGMBRM-UHFFFAOYSA-N 0 0 408.494 5.101 50 0 biogenic HKAARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)OC)C1 ZINC000002093082 557312689 /nfs/dbraw/zinc/31/26/89/557312689.db2.gz WNZVQIZAAVSFPE-INIZCTEOSA-N 0 0 419.546 5.969 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)OC)C1 ZINC000002093084 557312638 /nfs/dbraw/zinc/31/26/38/557312638.db2.gz WNZVQIZAAVSFPE-MRXNPFEDSA-N 0 0 419.546 5.969 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(Cl)c4)c(C)c3cc2c1C ZINC000002093086 569280586 /nfs/dbraw/zinc/28/05/86/569280586.db2.gz RTWODSSKYCZWFN-UHFFFAOYSA-N 0 0 423.896 5.998 50 0 biogenic HKAARN CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc43)c(C)c2oc1=O ZINC000002093098 569280602 /nfs/dbraw/zinc/28/06/02/569280602.db2.gz CXAIAGOLMAWQEQ-UHFFFAOYSA-N 0 0 403.478 5.034 50 0 biogenic HKAARN CCOc1ccc(-c2cc(C(=O)NCCCc3ccccc3)c3ccccc3n2)cc1 ZINC000002093118 557312692 /nfs/dbraw/zinc/31/26/92/557312692.db2.gz HLQWSYOTDQRKKT-UHFFFAOYSA-N 0 0 410.517 5.663 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(Br)c1 ZINC000002093126 557312926 /nfs/dbraw/zinc/31/29/26/557312926.db2.gz RHJOERCBSAMTCT-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN C[C@H]1CCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c2C1 ZINC000002093142 557312906 /nfs/dbraw/zinc/31/29/06/557312906.db2.gz AXTXIOBOPXWFCA-INIZCTEOSA-N 0 0 418.587 5.864 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)cc4F)c(C)c3cc2c1C ZINC000002093144 569280672 /nfs/dbraw/zinc/28/06/72/569280672.db2.gz DWRJCTQDZCRDEJ-UHFFFAOYSA-N 0 0 411.404 5.314 50 0 biogenic HKAARN C[C@@H]1CCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c2C1 ZINC000002093145 557312990 /nfs/dbraw/zinc/31/29/90/557312990.db2.gz AXTXIOBOPXWFCA-MRXNPFEDSA-N 0 0 418.587 5.864 50 0 HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3Cl)c(C)c2oc1=O ZINC000002093206 569280651 /nfs/dbraw/zinc/28/06/51/569280651.db2.gz LWKAVHAEDWFWKN-UHFFFAOYSA-N 0 0 414.885 5.138 50 0 biogenic HKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Cl)ccc3Cl)oc2cc1C ZINC000002093211 557312980 /nfs/dbraw/zinc/31/29/80/557312980.db2.gz FEFLPJIQQXCFMI-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1cc(Cl)ccc1Cl ZINC000002093309 569280661 /nfs/dbraw/zinc/28/06/61/569280661.db2.gz GNRXEVQSWPEPII-UHFFFAOYSA-N 0 0 407.365 5.240 50 0 HKAARN Cc1cc(C)c2c(COc3ccc4c(c3)occ(-c3ccccc3)c4=O)cc(=O)oc2c1 ZINC000002093367 569280655 /nfs/dbraw/zinc/28/06/55/569280655.db2.gz BIAQFTIESPHOTD-UHFFFAOYSA-N 0 0 424.452 5.762 50 0 biogenic HKAARN Cc1cccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000002093371 557312992 /nfs/dbraw/zinc/31/29/92/557312992.db2.gz NFKPGTLWXPMBCR-UHFFFAOYSA-N 0 0 405.954 6.231 50 0 HKAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002093431 557312922 /nfs/dbraw/zinc/31/29/22/557312922.db2.gz RNLDCXXNIQCJKX-UHFFFAOYSA-N 0 0 419.937 5.487 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1C ZINC000002093433 557312973 /nfs/dbraw/zinc/31/29/73/557312973.db2.gz XUXUOESIGQQKNY-UHFFFAOYSA-N 0 0 421.569 6.997 50 0 HKAARN COc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000002093503 557312977 /nfs/dbraw/zinc/31/29/77/557312977.db2.gz IWPPSAYDMXZNTP-UHFFFAOYSA-N 0 0 416.290 5.788 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)cc4C)c(C)c3cc2c1C ZINC000002093535 569280684 /nfs/dbraw/zinc/28/06/84/569280684.db2.gz HXNFPXPBRFUJEK-UHFFFAOYSA-N 0 0 403.478 5.653 50 0 biogenic HKAARN CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000002093652 569024266 /nfs/dbraw/zinc/02/42/66/569024266.db2.gz DTXNHMAPBLYWNR-UHFFFAOYSA-N 0 0 420.767 7.400 50 0 HKAARN Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000002093660 557312984 /nfs/dbraw/zinc/31/29/84/557312984.db2.gz DMNPTQYJGBMGPW-UHFFFAOYSA-N 0 0 416.746 6.602 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCC4=CCCCC4)c(C)c3cc2c1C ZINC000002093686 569280712 /nfs/dbraw/zinc/28/07/12/569280712.db2.gz GFNRMVQIJROLIO-UHFFFAOYSA-N 0 0 407.510 5.404 50 0 biogenic HKAARN Cc1cc2oc(=O)cc(COc3ccc4c(c3)occ(-c3ccccc3)c4=O)c2cc1C ZINC000002093688 569280701 /nfs/dbraw/zinc/28/07/01/569280701.db2.gz JTYYHSPDVLJFOJ-UHFFFAOYSA-N 0 0 424.452 5.762 50 0 biogenic HKAARN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002093692 557312976 /nfs/dbraw/zinc/31/29/76/557312976.db2.gz HIOLXJIQSUNGSV-UHFFFAOYSA-N 0 0 420.311 6.641 50 0 HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc4ccccc43)cc2oc1=O ZINC000002093704 569060453 /nfs/dbraw/zinc/06/04/53/569060453.db2.gz HXVIUFGPIMSLQN-UHFFFAOYSA-N 0 0 416.473 5.329 50 0 biogenic HKAARN Cc1c(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c2ccccc2n1C ZINC000002093739 569280801 /nfs/dbraw/zinc/28/08/01/569280801.db2.gz JEZUDGVTVNUXKQ-UHFFFAOYSA-N 0 0 415.489 5.042 50 0 biogenic HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)ccc3C)c(C)c2oc1=O ZINC000002093750 569280805 /nfs/dbraw/zinc/28/08/05/569280805.db2.gz FFFCPZUZDVTZDI-UHFFFAOYSA-N 0 0 408.494 5.101 50 0 biogenic HKAARN Clc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000002093779 557312930 /nfs/dbraw/zinc/31/29/30/557312930.db2.gz FXOGRMMYMQGITA-UHFFFAOYSA-N 0 0 415.920 7.323 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc2c1C ZINC000002093796 569280786 /nfs/dbraw/zinc/28/07/86/569280786.db2.gz WPYNDZWRIVLOHY-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 ZINC000002093814 569280761 /nfs/dbraw/zinc/28/07/61/569280761.db2.gz AOGKQONRJOZQIS-UHFFFAOYSA-N 0 0 408.497 7.524 50 0 biogenic HKAARN Cc1c(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c2ccccc2n1C ZINC000002093846 569280665 /nfs/dbraw/zinc/28/06/65/569280665.db2.gz FUEQNPXJPMGTFV-UHFFFAOYSA-N 0 0 423.468 5.522 50 0 biogenic HKAARN Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000002093884 557312957 /nfs/dbraw/zinc/31/29/57/557312957.db2.gz GGMNVNHCWKUUES-UHFFFAOYSA-N 0 0 400.291 6.088 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(C)c4)c(C)c3cc2c1C ZINC000002093914 569280627 /nfs/dbraw/zinc/28/06/27/569280627.db2.gz ZRFRSLJTBIOQDX-UHFFFAOYSA-N 0 0 403.478 5.653 50 0 biogenic HKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc4ccccc43)cc2oc1=O ZINC000002093923 569280653 /nfs/dbraw/zinc/28/06/53/569280653.db2.gz KCLBZUFJCWILJJ-UHFFFAOYSA-N 0 0 422.864 5.203 50 0 biogenic HKAARN Cc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000002093950 557312996 /nfs/dbraw/zinc/31/29/96/557312996.db2.gz KQQFEKIYAVMULU-UHFFFAOYSA-N 0 0 422.355 7.646 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002093979 557312912 /nfs/dbraw/zinc/31/29/12/557312912.db2.gz PZBKZZOZCZYOJB-UHFFFAOYSA-N 0 0 409.982 7.009 50 0 HKAARN Cc1ccc(Cl)cc1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000002094015 557312941 /nfs/dbraw/zinc/31/29/41/557312941.db2.gz KLQXBQVUZLODSB-UHFFFAOYSA-N 0 0 405.900 7.132 50 0 HKAARN CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000002094024 557312938 /nfs/dbraw/zinc/31/29/38/557312938.db2.gz JZPFOCIXXJAPMH-UHFFFAOYSA-N 0 0 416.348 6.756 50 0 HKAARN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F ZINC000002094051 557312934 /nfs/dbraw/zinc/31/29/34/557312934.db2.gz UDQPHQSGZCQCLW-UHFFFAOYSA-N 0 0 420.311 6.641 50 0 HKAARN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1Cl ZINC000002094055 557313179 /nfs/dbraw/zinc/31/31/79/557313179.db2.gz DAZWVKQCHGPBRM-UHFFFAOYSA-N 0 0 416.746 6.602 50 0 HKAARN COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000002094062 557313200 /nfs/dbraw/zinc/31/32/00/557313200.db2.gz IGGGAMJJLMVENB-UHFFFAOYSA-N 0 0 412.327 5.957 50 0 HKAARN Cc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000002094078 557313137 /nfs/dbraw/zinc/31/31/37/557313137.db2.gz MNCVCYJBLKLITP-UHFFFAOYSA-N 0 0 400.291 6.088 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)c(C)c2oc1=O ZINC000002094130 569280720 /nfs/dbraw/zinc/28/07/20/569280720.db2.gz JPQBJEWWDRECCG-UHFFFAOYSA-N 0 0 408.494 5.002 50 0 biogenic HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc4ccccc4c3)cc2oc1=O ZINC000002094281 569280716 /nfs/dbraw/zinc/28/07/16/569280716.db2.gz FHLUEVCAINNJIX-UHFFFAOYSA-N 0 0 416.473 5.329 50 0 biogenic HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc12 ZINC000002094415 569280722 /nfs/dbraw/zinc/28/07/22/569280722.db2.gz OXHVPBVLAIKRGS-UHFFFAOYSA-N 0 0 409.869 5.058 50 0 biogenic HKAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc43)c12 ZINC000002094561 569280882 /nfs/dbraw/zinc/28/08/82/569280882.db2.gz HHQMUFRJKUVVPF-UHFFFAOYSA-N 0 0 403.478 5.116 50 0 biogenic HKAARN Cc1oc2ccc(OCc3cc(=O)oc4cc(C)cc(C)c34)cc2c1C(=O)OC(C)C ZINC000002094616 569280834 /nfs/dbraw/zinc/28/08/34/569280834.db2.gz PACFGWFFCIRIEL-UHFFFAOYSA-N 0 0 420.461 5.609 50 0 biogenic HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(C)=O)c1ccccc1-2 ZINC000002094723 557313141 /nfs/dbraw/zinc/31/31/41/557313141.db2.gz HOLUJCAGBVABAF-JOCHJYFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccccc1-2 ZINC000002094725 557313182 /nfs/dbraw/zinc/31/31/82/557313182.db2.gz HOLUJCAGBVABAF-QFIPXVFZSA-N 0 0 420.538 5.183 50 0 HKAARN O=c1oc2cc3occ(-c4ccc(Br)cc4)c3cc2c2c1CCCCC2 ZINC000002094743 569280832 /nfs/dbraw/zinc/28/08/32/569280832.db2.gz SWEHIQSERCNLLW-UHFFFAOYSA-N 0 0 409.279 6.238 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cc(C)ccc4C)c(C)c3cc2c1C ZINC000002094748 569280817 /nfs/dbraw/zinc/28/08/17/569280817.db2.gz XWWWHSGHZPEPBW-UHFFFAOYSA-N 0 0 403.478 5.653 50 0 biogenic HKAARN CC(C)[C@H](CC(=O)NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002094792 569280853 /nfs/dbraw/zinc/28/08/53/569280853.db2.gz ABWOYWSDRKZXNC-ZRBLBEILSA-N 0 0 411.586 5.905 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(F)c4)c(C)c3cc2c1C ZINC000002094813 569280867 /nfs/dbraw/zinc/28/08/67/569280867.db2.gz QEXIVURMMVDUST-UHFFFAOYSA-N 0 0 407.441 5.483 50 0 biogenic HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccsc2)Nc2ccccc2-3)cc1 ZINC000002094852 557313197 /nfs/dbraw/zinc/31/31/97/557313197.db2.gz ZOWTUJAILYJLAF-HXUWFJFHSA-N 0 0 418.547 5.704 50 0 HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccsc2)Nc2ccccc2-3)cc1 ZINC000002094853 557313130 /nfs/dbraw/zinc/31/31/30/557313130.db2.gz ZOWTUJAILYJLAF-FQEVSTJZSA-N 0 0 418.547 5.704 50 0 HKAARN Cc1ccc(CSc2nnc3c(n2)OC2(CCCCC2)Nc2ccccc2-3)cc1 ZINC000002094901 557313215 /nfs/dbraw/zinc/31/32/15/557313215.db2.gz XRRFVYBGJUVKLP-UHFFFAOYSA-N 0 0 404.539 5.604 50 0 biogenic HKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)N(C(C)=O)c1ccccc1-2 ZINC000002094938 557313106 /nfs/dbraw/zinc/31/31/06/557313106.db2.gz FLQULYDBYPTTSA-OAQYLSRUSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1)N(C(C)=O)c1ccccc1-2 ZINC000002094940 557313088 /nfs/dbraw/zinc/31/30/88/557313088.db2.gz FLQULYDBYPTTSA-NRFANRHFSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccc(Br)cc1-2 ZINC000002094957 557313174 /nfs/dbraw/zinc/31/31/74/557313174.db2.gz OMPJEABFNQZXJM-UHFFFAOYSA-N 0 0 421.364 5.268 50 0 biogenic HKAARN CSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000002095164 557313115 /nfs/dbraw/zinc/31/31/15/557313115.db2.gz GCNASCQLHUHYGM-HXUWFJFHSA-N 0 0 406.511 5.085 50 0 HKAARN CSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000002095166 557313109 /nfs/dbraw/zinc/31/31/09/557313109.db2.gz GCNASCQLHUHYGM-FQEVSTJZSA-N 0 0 406.511 5.085 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 ZINC000002095206 557313125 /nfs/dbraw/zinc/31/31/25/557313125.db2.gz GLEHUOOLYMAQRK-OAQYLSRUSA-N 0 0 424.526 5.166 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 ZINC000002095208 557313148 /nfs/dbraw/zinc/31/31/48/557313148.db2.gz GLEHUOOLYMAQRK-NRFANRHFSA-N 0 0 424.526 5.166 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000002095390 557313394 /nfs/dbraw/zinc/31/33/94/557313394.db2.gz YKLARBDIJPUFOT-JLHYYAGUSA-N 0 0 413.539 5.385 50 0 HKAARN COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OCc1ccc(C)cc1 ZINC000002095625 569280938 /nfs/dbraw/zinc/28/09/38/569280938.db2.gz AWXUKCKXCVMLQB-CIAFOILYSA-N 0 0 417.436 5.066 50 0 HKAARN COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCc1ccc(C)cc1 ZINC000002095628 557313511 /nfs/dbraw/zinc/31/35/11/557313511.db2.gz AWXUKCKXCVMLQB-MTJSOVHGSA-N 0 0 417.436 5.066 50 0 HKAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc43)ccc12 ZINC000002095631 569280934 /nfs/dbraw/zinc/28/09/34/569280934.db2.gz OWFVBNUAPQJSCT-UHFFFAOYSA-N 0 0 403.478 5.116 50 0 biogenic HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc12 ZINC000002095761 569280976 /nfs/dbraw/zinc/28/09/76/569280976.db2.gz XURFWWBVADUSQL-UHFFFAOYSA-N 0 0 409.869 5.058 50 0 aggregator,biogenic HKAARN COC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 ZINC000002095779 557313442 /nfs/dbraw/zinc/31/34/42/557313442.db2.gz HKGQKQIHIFYDPW-UHFFFAOYSA-N 0 0 419.955 5.842 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1OC ZINC000002095879 569280986 /nfs/dbraw/zinc/28/09/86/569280986.db2.gz VFOUMXCASJFNBE-UHFFFAOYSA-N 0 0 416.473 5.673 50 0 biogenic HKAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c(Cl)c1 ZINC000002095949 569280948 /nfs/dbraw/zinc/28/09/48/569280948.db2.gz RJVIMYLBZWBEBO-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 biogenic HKAARN O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)C(F)(F)F ZINC000002096037 557313404 /nfs/dbraw/zinc/31/34/04/557313404.db2.gz WIASLSUTKGYUEF-UHFFFAOYSA-N 0 0 405.466 6.490 50 0 HKAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc4ccccc4c3)cc2oc1=O ZINC000002096090 569280852 /nfs/dbraw/zinc/28/08/52/569280852.db2.gz OSFSLSPXCWOFHQ-UHFFFAOYSA-N 0 0 422.864 5.203 50 0 biogenic HKAARN CCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002096098 569280877 /nfs/dbraw/zinc/28/08/77/569280877.db2.gz CQIRYAJQJVHVLU-UHFFFAOYSA-N 0 0 419.477 5.434 50 0 biogenic HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(Cl)c4)c(C)c3cc12 ZINC000002096120 569280820 /nfs/dbraw/zinc/28/08/20/569280820.db2.gz GUUOUHYWZKMGGL-UHFFFAOYSA-N 0 0 413.832 5.520 50 0 biogenic HKAARN CC(C)c1ccc(/C=C/C(=O)NCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000002096209 557313352 /nfs/dbraw/zinc/31/33/52/557313352.db2.gz OBLDMTYLTLTTSH-OTYYAQKOSA-N 0 0 418.581 5.283 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3c(C)ccc4ccccc43)c(C)c2oc1=O ZINC000002096438 569280906 /nfs/dbraw/zinc/28/09/06/569280906.db2.gz PSXHFKLNUCRXEH-UHFFFAOYSA-N 0 0 416.473 5.166 50 0 biogenic HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O ZINC000002096446 569280911 /nfs/dbraw/zinc/28/09/11/569280911.db2.gz XUURTMAPSJODKU-UHFFFAOYSA-N 0 0 414.885 5.138 50 0 biogenic HKAARN C=Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000002096604 560558998 /nfs/dbraw/zinc/55/89/98/560558998.db2.gz CEHQDWKUXMPOFE-UHFFFAOYSA-N 0 0 414.457 5.699 50 0 biogenic HKAARN COc1cccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)c1 ZINC000002096695 569281021 /nfs/dbraw/zinc/28/10/21/569281021.db2.gz AUUWXLSMXPMTGT-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 biogenic HKAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000002096818 569281020 /nfs/dbraw/zinc/28/10/20/569281020.db2.gz ATOCSXHXKDHDNT-UHFFFAOYSA-N 0 0 416.429 5.164 50 0 biogenic HKAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3)c2)cc1 ZINC000002097120 569281070 /nfs/dbraw/zinc/28/10/70/569281070.db2.gz USLHHZFPPOVRQV-UHFFFAOYSA-N 0 0 414.457 5.695 50 0 biogenic HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 ZINC000002097298 569281078 /nfs/dbraw/zinc/28/10/78/569281078.db2.gz SLGQHYKUZWTSGJ-UHFFFAOYSA-N 0 0 418.445 5.490 50 0 biogenic HKAARN CCCCNc1c(C)c(O)c(CC(=O)Nc2ccccc2)c2cc(OC)c(OC)cc21 ZINC000002097563 569281026 /nfs/dbraw/zinc/28/10/26/569281026.db2.gz WAYZJIWUJLBUKQ-UHFFFAOYSA-N 0 0 422.525 5.264 50 0 biogenic HKAARN O=C1/C(=C/c2cccc(Cl)c2Cl)CCC/C1=C/c1cccc(Cl)c1Cl ZINC000002097569 559274814 /nfs/dbraw/zinc/27/48/14/559274814.db2.gz HUNYAVDCZBRPHW-YCRUPXPOSA-N 0 0 412.143 7.520 50 0 HKAARN Cn1c2ccccc2c2cc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000002097623 569281066 /nfs/dbraw/zinc/28/10/66/569281066.db2.gz SLJVMWRNYMHJGP-NOBNOQAISA-N 0 0 421.544 5.359 50 0 biogenic HKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O ZINC000002098026 569281019 /nfs/dbraw/zinc/28/10/19/569281019.db2.gz CJZWYBVMSQOOIM-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 biogenic HKAARN Cc1cc(C)c(NC(=O)CCSCCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000002098275 557313498 /nfs/dbraw/zinc/31/34/98/557313498.db2.gz WVCWTTQBAAPPFT-UHFFFAOYSA-N 0 0 412.599 5.628 50 0 HKAARN COc1cccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)c1 ZINC000002098692 569281140 /nfs/dbraw/zinc/28/11/40/569281140.db2.gz WFYBQUWECPWZMW-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 biogenic HKAARN COc1ccccc1Oc1coc2cc(OCc3cc(C)ccc3C)ccc2c1=O ZINC000002098693 569281170 /nfs/dbraw/zinc/28/11/70/569281170.db2.gz HWEJHWFUYHHGEI-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 biogenic HKAARN COc1cccc(Oc2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)c1 ZINC000002098710 569281132 /nfs/dbraw/zinc/28/11/32/569281132.db2.gz YBNQJWKZOUPLSY-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 HKAARN COc1ccc(COc2ccc3c(c2)occ(Oc2ccccc2OC)c3=O)cc1 ZINC000002099371 569281127 /nfs/dbraw/zinc/28/11/27/569281127.db2.gz ZMKKQFVOQQRQDE-UHFFFAOYSA-N 0 0 404.418 5.182 50 0 biogenic HKAARN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000002099585 560584362 /nfs/dbraw/zinc/58/43/62/560584362.db2.gz KVJGKLPPEAVQKM-ZDLGFXPLSA-N 0 0 422.333 6.017 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002099606 557313678 /nfs/dbraw/zinc/31/36/78/557313678.db2.gz MWJYXQBXYRUPAR-UHFFFAOYSA-N 0 0 404.354 6.666 50 0 HKAARN COc1cccc(COc2ccc3c(c2)oc(C)c(Oc2ccccc2OC)c3=O)c1 ZINC000002100217 569281333 /nfs/dbraw/zinc/28/13/33/569281333.db2.gz NZHBKLYEYLHJQS-UHFFFAOYSA-N 0 0 418.445 5.490 50 0 biogenic HKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000002101059 569281339 /nfs/dbraw/zinc/28/13/39/569281339.db2.gz DKKDTQBOFSWQQD-YYADALCUSA-N 0 0 403.547 7.026 50 0 biogenic HKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)o1)CCC3 ZINC000002101063 569281335 /nfs/dbraw/zinc/28/13/35/569281335.db2.gz NDRRSNMANSBEFB-UHFFFAOYSA-N 0 0 424.493 5.363 50 0 biogenic HKAARN CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(C(C)C)cc1 ZINC000002101356 557313652 /nfs/dbraw/zinc/31/36/52/557313652.db2.gz LEKJNMJSAOMSEX-GOSISDBHSA-N 0 0 415.555 5.531 50 0 HKAARN CCCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(C(C)C)cc1 ZINC000002101358 557313632 /nfs/dbraw/zinc/31/36/32/557313632.db2.gz LEKJNMJSAOMSEX-SFHVURJKSA-N 0 0 415.555 5.531 50 0 HKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000002101394 569281543 /nfs/dbraw/zinc/28/15/43/569281543.db2.gz NTIPXCFJTZJCHK-SLEBQGDGSA-N 0 0 415.489 6.062 50 0 biogenic HKAARN CC(C)OC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(F)c1 ZINC000002101430 557313613 /nfs/dbraw/zinc/31/36/13/557313613.db2.gz CRDJDCVLPXAANU-UHFFFAOYSA-N 0 0 401.434 5.511 50 0 HKAARN C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)c1ccccc1 ZINC000002101449 569060423 /nfs/dbraw/zinc/06/04/23/569060423.db2.gz GYMMHQDFFIJDGY-HNNXBMFYSA-N 0 0 404.849 5.764 50 0 biogenic HKAARN Cc1ccc(-c2csc(NC(=O)c3cccnc3Cl)c2C(=O)OC(C)C)cc1 ZINC000002101450 557313621 /nfs/dbraw/zinc/31/36/21/557313621.db2.gz ZUSILTAUIHTGQJ-UHFFFAOYSA-N 0 0 414.914 5.589 50 0 HKAARN C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)c1ccccc1 ZINC000002101451 569060432 /nfs/dbraw/zinc/06/04/32/569060432.db2.gz GYMMHQDFFIJDGY-OAHLLOKOSA-N 0 0 404.849 5.764 50 0 biogenic HKAARN CCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1ccoc1C ZINC000002101456 557313625 /nfs/dbraw/zinc/31/36/25/557313625.db2.gz IWHVIYRVVJIWHN-UHFFFAOYSA-N 0 0 413.495 5.534 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)COc3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000002101465 557313605 /nfs/dbraw/zinc/31/36/05/557313605.db2.gz BQQVHMBMWHALAS-UHFFFAOYSA-N 0 0 409.507 5.306 50 0 HKAARN COc1ccc(-c2csc(NC(=O)C3CCCCC3)c2C(=O)OC(C)C)cc1 ZINC000002101512 557313628 /nfs/dbraw/zinc/31/36/28/557313628.db2.gz IDESWZNXTSGZQN-UHFFFAOYSA-N 0 0 401.528 5.508 50 0 HKAARN CCCOC(=O)c1c(-c2ccc(CCC)cc2)csc1NC(=O)c1ccoc1C ZINC000002101532 557313609 /nfs/dbraw/zinc/31/36/09/557313609.db2.gz JGUSABVQTYLAMR-UHFFFAOYSA-N 0 0 411.523 6.088 50 0 HKAARN CCCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C1CCCC1 ZINC000002101567 557313660 /nfs/dbraw/zinc/31/36/60/557313660.db2.gz ZLWLOFQNPBLLCG-UHFFFAOYSA-N 0 0 417.527 5.128 50 0 HKAARN COC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002101637 557313589 /nfs/dbraw/zinc/31/35/89/557313589.db2.gz HKMVKCXIIZOSNB-UHFFFAOYSA-N 0 0 411.523 5.961 50 0 HKAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(OC)c1 ZINC000002101728 557313603 /nfs/dbraw/zinc/31/36/03/557313603.db2.gz LTTUHMTVZINRIM-UHFFFAOYSA-N 0 0 401.871 5.116 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C)c1-c1ccc(F)cc1 ZINC000002101731 557313592 /nfs/dbraw/zinc/31/35/92/557313592.db2.gz XSUACQGWWJRGCT-UHFFFAOYSA-N 0 0 401.434 5.431 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002101776 557313664 /nfs/dbraw/zinc/31/36/64/557313664.db2.gz CFIVTHXLOPCKJR-GOSISDBHSA-N 0 0 415.555 5.216 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002101777 557313600 /nfs/dbraw/zinc/31/36/00/557313600.db2.gz CFIVTHXLOPCKJR-SFHVURJKSA-N 0 0 415.555 5.216 50 0 HKAARN COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002101804 557313594 /nfs/dbraw/zinc/31/35/94/557313594.db2.gz KCUQYUIMPJXYIG-UHFFFAOYSA-N 0 0 409.507 5.144 50 0 HKAARN CCCCc1ccc(-c2c(C)sc(NC(=O)c3cccnc3)c2C(=O)OC)cc1 ZINC000002102088 557313630 /nfs/dbraw/zinc/31/36/30/557313630.db2.gz IGQNCCISGNZBQX-UHFFFAOYSA-N 0 0 408.523 5.500 50 0 HKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(Oc2ccccc2OC)c3=O)cc1 ZINC000002102204 569281507 /nfs/dbraw/zinc/28/15/07/569281507.db2.gz BZWISEPOGRLVQU-UHFFFAOYSA-N 0 0 414.457 6.124 50 0 HKAARN CCOC(=O)c1c(-c2ccc(CC(C)C)cc2)csc1NC(=O)c1ccoc1C ZINC000002102223 557313583 /nfs/dbraw/zinc/31/35/83/557313583.db2.gz QTHRKJSEHXPXEW-UHFFFAOYSA-N 0 0 411.523 5.944 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1ccccc1Br ZINC000002102239 557313820 /nfs/dbraw/zinc/31/38/20/557313820.db2.gz UAUSDBUZOYEAIA-UHFFFAOYSA-N 0 0 418.722 5.216 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002102383 557313858 /nfs/dbraw/zinc/31/38/58/557313858.db2.gz OGVRUNZNBNUPOR-UHFFFAOYSA-N 0 0 414.914 5.591 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)c3ccccc3)ccc2c1=O ZINC000002102512 568844352 /nfs/dbraw/zinc/84/43/52/568844352.db2.gz BDAIIJAEMTVLEM-UHFFFAOYSA-N 0 0 416.429 5.164 50 0 biogenic HKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3cc(C)ccc3C)ccc2c1=O ZINC000002102518 569281479 /nfs/dbraw/zinc/28/14/79/569281479.db2.gz FSBHGCGKFWLBIQ-UHFFFAOYSA-N 0 0 416.473 6.098 50 0 biogenic HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C)c1-c1ccc(C)cc1 ZINC000002102558 557313888 /nfs/dbraw/zinc/31/38/88/557313888.db2.gz GBIGFLZKWIRNRV-UHFFFAOYSA-N 0 0 409.507 5.470 50 0 HKAARN Cc1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1-c1ccc(C)c(C)c1 ZINC000002102618 557313815 /nfs/dbraw/zinc/31/38/15/557313815.db2.gz BTKVQOAOBCDFNP-UHFFFAOYSA-N 0 0 408.523 5.553 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCCC1 ZINC000002102634 557313883 /nfs/dbraw/zinc/31/38/83/557313883.db2.gz VJORNDODGCUGJX-UHFFFAOYSA-N 0 0 422.344 5.483 50 0 HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3C)c2)cc1 ZINC000002102849 569281471 /nfs/dbraw/zinc/28/14/71/569281471.db2.gz AEHCZCUOOZEWIA-UHFFFAOYSA-N 0 0 414.457 5.613 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)cc1 ZINC000002102932 569281476 /nfs/dbraw/zinc/28/14/76/569281476.db2.gz LKHJEOQXGPJDQN-QFIPXVFZSA-N 0 0 407.510 5.258 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)cc1 ZINC000002102934 569281509 /nfs/dbraw/zinc/28/15/09/569281509.db2.gz LKHJEOQXGPJDQN-JOCHJYFZSA-N 0 0 407.510 5.258 50 0 biogenic HKAARN CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1-c1cc(C)ccc1C ZINC000002102956 557313900 /nfs/dbraw/zinc/31/39/00/557313900.db2.gz IRWLHAGNKWFVAN-UHFFFAOYSA-N 0 0 411.523 6.061 50 0 HKAARN CCOC(=O)c1c(NC(=O)Nc2cccc3ccccc32)sc2c1CCCCCC2 ZINC000002103028 557313831 /nfs/dbraw/zinc/31/38/31/557313831.db2.gz NFSXSLXHCRGHSB-UHFFFAOYSA-N 0 0 422.550 6.381 50 0 HKAARN CCCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1ccco1 ZINC000002103029 557313840 /nfs/dbraw/zinc/31/38/40/557313840.db2.gz ROQQURNFXPJSFH-UHFFFAOYSA-N 0 0 405.475 5.980 50 0 HKAARN COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)Cc1ccccc1 ZINC000002103140 557313837 /nfs/dbraw/zinc/31/38/37/557313837.db2.gz VEOKNSDCWGKQSI-UHFFFAOYSA-N 0 0 401.487 5.536 50 0 HKAARN COc1ccc(-c2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1OC ZINC000002103144 569281512 /nfs/dbraw/zinc/28/15/12/569281512.db2.gz YHAXCKGABVNWJJ-UHFFFAOYSA-N 0 0 416.473 5.673 50 0 biogenic HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 ZINC000002103162 569281576 /nfs/dbraw/zinc/28/15/76/569281576.db2.gz GSIRJUOXIVJFSV-ZCYQVOJMSA-N 0 0 421.500 5.268 50 0 biogenic HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 ZINC000002103164 569281665 /nfs/dbraw/zinc/28/16/65/569281665.db2.gz GSIRJUOXIVJFSV-UKILVPOCSA-N 0 0 421.500 5.268 50 0 biogenic HKAARN CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCCCC2 ZINC000002103180 557313892 /nfs/dbraw/zinc/31/38/92/557313892.db2.gz FNOXITARXDMPRG-QGZVFWFLSA-N 0 0 404.359 5.106 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCCC2 ZINC000002103181 557313921 /nfs/dbraw/zinc/31/39/21/557313921.db2.gz FNOXITARXDMPRG-KRWDZBQOSA-N 0 0 404.359 5.106 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 ZINC000002103198 557313908 /nfs/dbraw/zinc/31/39/08/557313908.db2.gz BYTJLJHRCNFNAH-UHFFFAOYSA-N 0 0 416.546 6.072 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1)CCC2 ZINC000002103259 557313827 /nfs/dbraw/zinc/31/38/27/557313827.db2.gz DZTBHGVUIZMKOR-HXUWFJFHSA-N 0 0 423.559 5.496 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)CCC2 ZINC000002103261 557313918 /nfs/dbraw/zinc/31/39/18/557313918.db2.gz DZTBHGVUIZMKOR-FQEVSTJZSA-N 0 0 423.559 5.496 50 0 HKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002103474 132248974 /nfs/dbraw/zinc/24/89/74/132248974.db2.gz RJHHEFWZDNKJON-INIZCTEOSA-N 0 0 409.888 6.040 50 0 HKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002103476 132248971 /nfs/dbraw/zinc/24/89/71/132248971.db2.gz RJHHEFWZDNKJON-MRXNPFEDSA-N 0 0 409.888 6.040 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3cc(Br)ccc3n2)cc1C ZINC000002103515 557313879 /nfs/dbraw/zinc/31/38/79/557313879.db2.gz WMYNQPPWQBTVMH-UHFFFAOYSA-N 0 0 423.354 5.954 50 0 HKAARN COc1ccc(-c2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 ZINC000002103529 569281571 /nfs/dbraw/zinc/28/15/71/569281571.db2.gz FEGHYJHTTFSDIS-UHFFFAOYSA-N 0 0 400.474 5.973 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)COc3cccc(C)c3)c2C(=O)OC(C)C)C1 ZINC000002103530 557313847 /nfs/dbraw/zinc/31/38/47/557313847.db2.gz ORRBVPMUWNTEBO-INIZCTEOSA-N 0 0 415.555 5.154 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)COc3cccc(C)c3)c2C(=O)OC(C)C)C1 ZINC000002103531 557313877 /nfs/dbraw/zinc/31/38/77/557313877.db2.gz ORRBVPMUWNTEBO-MRXNPFEDSA-N 0 0 415.555 5.154 50 0 HKAARN CCOc1cccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c1 ZINC000002103592 557314171 /nfs/dbraw/zinc/31/41/71/557314171.db2.gz MVXCBSGXLVWGJK-UHFFFAOYSA-N 0 0 402.538 6.143 50 0 HKAARN COc1cccc(Oc2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)c1 ZINC000002103758 569281735 /nfs/dbraw/zinc/28/17/35/569281735.db2.gz CNGSDNPRILIQJF-UHFFFAOYSA-N 0 0 416.473 6.098 50 0 biogenic HKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2ccccc2OCC)c3=O)cc1 ZINC000002103908 569281894 /nfs/dbraw/zinc/28/18/94/569281894.db2.gz DAPSMCCAUSYMHQ-UHFFFAOYSA-N 0 0 414.457 6.206 50 0 biogenic HKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2cccc(OC)c2)c3=O)cc1 ZINC000002104254 569282054 /nfs/dbraw/zinc/28/20/54/569282054.db2.gz XQVHMZICVDWWKZ-UHFFFAOYSA-N 0 0 400.430 5.816 50 0 HKAARN Clc1ccc(CSc2nnc3c(n2)OC2(CCCC2)Nc2ccccc2-3)cc1 ZINC000002104441 557314158 /nfs/dbraw/zinc/31/41/58/557314158.db2.gz RTFVVCMXZJOMOV-UHFFFAOYSA-N 0 0 410.930 5.559 50 0 biogenic HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1 ZINC000002104583 569282105 /nfs/dbraw/zinc/28/21/05/569282105.db2.gz ANZTYVHUHSUGQB-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 HKAARN CCCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccco1 ZINC000002104773 557314160 /nfs/dbraw/zinc/31/41/60/557314160.db2.gz UKSQVGIIBXPFQE-UHFFFAOYSA-N 0 0 405.475 5.980 50 0 HKAARN CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC=C(C)C)ccc3c2=O)cc1 ZINC000002104812 569282120 /nfs/dbraw/zinc/28/21/20/569282120.db2.gz PDEKNNBKCAZOHF-UHFFFAOYSA-N 0 0 422.477 5.806 50 0 biogenic HKAARN NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCCCCCCCC2 ZINC000002104885 557314121 /nfs/dbraw/zinc/31/41/21/557314121.db2.gz GDPXCUUXBGPCPV-UHFFFAOYSA-N 0 0 416.562 5.387 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000002104890 557314109 /nfs/dbraw/zinc/31/41/09/557314109.db2.gz NBKWWDLBFAYFGN-UHFFFAOYSA-N 0 0 421.327 6.447 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CC[C@H](CC)C2 ZINC000002105101 557314131 /nfs/dbraw/zinc/31/41/31/557314131.db2.gz XGSZQJZSMIBPFL-LBPRGKRZSA-N 0 0 423.937 5.413 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CC[C@@H](CC)C2 ZINC000002105104 557314174 /nfs/dbraw/zinc/31/41/74/557314174.db2.gz XGSZQJZSMIBPFL-GFCCVEGCSA-N 0 0 423.937 5.413 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 ZINC000002105121 557314178 /nfs/dbraw/zinc/31/41/78/557314178.db2.gz ROLHFFSUOZJTDJ-UHFFFAOYSA-N 0 0 412.338 5.292 50 0 HKAARN CC[C@H](NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000002105124 557314148 /nfs/dbraw/zinc/31/41/48/557314148.db2.gz JEFBJJXMJOKROU-SANMLTNESA-N 0 0 422.572 7.215 50 0 HKAARN CC[C@@H](NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000002105127 557314137 /nfs/dbraw/zinc/31/41/37/557314137.db2.gz JEFBJJXMJOKROU-AREMUKBSSA-N 0 0 422.572 7.215 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CC[C@H](CC)C2 ZINC000002105135 557314140 /nfs/dbraw/zinc/31/41/40/557314140.db2.gz YVOLLGWBRZDPIE-ZDUSSCGKSA-N 0 0 405.947 5.274 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CC[C@@H](CC)C2 ZINC000002105136 557314152 /nfs/dbraw/zinc/31/41/52/557314152.db2.gz YVOLLGWBRZDPIE-CYBMUJFWSA-N 0 0 405.947 5.274 50 0 HKAARN CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](CC)C3)cs1 ZINC000002105146 557314130 /nfs/dbraw/zinc/31/41/30/557314130.db2.gz HYIBYJGQXUTAAB-ZDUSSCGKSA-N 0 0 405.585 5.704 50 0 HKAARN CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](CC)C3)cs1 ZINC000002105148 557314170 /nfs/dbraw/zinc/31/41/70/557314170.db2.gz HYIBYJGQXUTAAB-CYBMUJFWSA-N 0 0 405.585 5.704 50 0 HKAARN COc1cccc(COc2ccc3c(c2)occ(Oc2ccccc2OC)c3=O)c1 ZINC000002105151 568844560 /nfs/dbraw/zinc/84/45/60/568844560.db2.gz CUZNZUUFILXTEC-UHFFFAOYSA-N 0 0 404.418 5.182 50 0 biogenic HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000002105162 557314124 /nfs/dbraw/zinc/31/41/24/557314124.db2.gz XGUBRGFBVKYBNC-UHFFFAOYSA-N 0 0 411.423 6.025 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000002105166 557314098 /nfs/dbraw/zinc/31/40/98/557314098.db2.gz UDXXOZJALBMZQA-UHFFFAOYSA-N 0 0 412.316 6.313 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)cc1 ZINC000002105181 557314421 /nfs/dbraw/zinc/31/44/21/557314421.db2.gz MNNGOGPCJNDGGT-UHFFFAOYSA-N 0 0 414.549 5.853 50 0 HKAARN CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002105327 557314438 /nfs/dbraw/zinc/31/44/38/557314438.db2.gz MECRUBAGIPAKPC-FQEVSTJZSA-N 0 0 408.545 6.591 50 0 HKAARN CC(C)Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002105329 557314342 /nfs/dbraw/zinc/31/43/42/557314342.db2.gz MECRUBAGIPAKPC-HXUWFJFHSA-N 0 0 408.545 6.591 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c1 ZINC000002105344 568844553 /nfs/dbraw/zinc/84/45/53/568844553.db2.gz MYLYOAFIBYOPEH-UHFFFAOYSA-N 0 0 422.528 6.555 50 0 HKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000002105390 557314359 /nfs/dbraw/zinc/31/43/59/557314359.db2.gz QHEABOOSLRMAFR-UHFFFAOYSA-N 0 0 400.327 5.536 50 0 HKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000002105398 557314443 /nfs/dbraw/zinc/31/44/43/557314443.db2.gz ZAAXYWOSHWJCML-UHFFFAOYSA-N 0 0 400.327 5.536 50 0 HKAARN COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C1CCCC1 ZINC000002105417 557314335 /nfs/dbraw/zinc/31/43/35/557314335.db2.gz JIMLAHXDHPKUMV-UHFFFAOYSA-N 0 0 405.519 5.997 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(CC)cc1 ZINC000002105429 557314436 /nfs/dbraw/zinc/31/44/36/557314436.db2.gz YCPFVHBSCJYYHK-UHFFFAOYSA-N 0 0 423.534 5.724 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 ZINC000002105484 557314414 /nfs/dbraw/zinc/31/44/14/557314414.db2.gz OTIQPNRWTLOOQX-UHFFFAOYSA-N 0 0 409.507 5.470 50 0 HKAARN CCCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccc(OC)cc1 ZINC000002105487 557314369 /nfs/dbraw/zinc/31/43/69/557314369.db2.gz VBXMVOPVPSEBMV-UHFFFAOYSA-N 0 0 409.507 5.551 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c1 ZINC000002105546 569282962 /nfs/dbraw/zinc/28/29/62/569282962.db2.gz DFZNLKIPIFWHMU-UHFFFAOYSA-N 0 0 400.305 6.442 50 0 HKAARN O=C(Nc1ccccc1Cl)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000002105552 557314379 /nfs/dbraw/zinc/31/43/79/557314379.db2.gz ZHAUBSRFBRLBJB-UHFFFAOYSA-N 0 0 406.696 6.478 50 0 HKAARN Cc1cccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)c1C ZINC000002105557 569282929 /nfs/dbraw/zinc/28/29/29/569282929.db2.gz WSEZKRMJNOHTEJ-UHFFFAOYSA-N 0 0 400.305 6.442 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc(COc2ccccc2Br)cc1 ZINC000002105567 557314339 /nfs/dbraw/zinc/31/43/39/557314339.db2.gz IISNLPADQYNOFW-UHFFFAOYSA-N 0 0 416.702 5.934 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000002105570 557314433 /nfs/dbraw/zinc/31/44/33/557314433.db2.gz WTTRLOIGJMCHRO-UHFFFAOYSA-N 0 0 400.305 6.442 50 0 aggregator HKAARN COc1ccc(CNC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000002105580 557314355 /nfs/dbraw/zinc/31/43/55/557314355.db2.gz OJSYJXTXTWPGCF-UHFFFAOYSA-N 0 0 416.908 5.802 50 0 HKAARN CC(C)Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 ZINC000002105596 557314351 /nfs/dbraw/zinc/31/43/51/557314351.db2.gz VGHKCDZPAJYWJB-UHFFFAOYSA-N 0 0 400.566 6.553 50 0 HKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002105632 557314441 /nfs/dbraw/zinc/31/44/41/557314441.db2.gz RYMNMZPTVQIGDW-UHFFFAOYSA-N 0 0 408.545 6.339 50 0 HKAARN CCCNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(Br)cc21 ZINC000002105645 557314331 /nfs/dbraw/zinc/31/43/31/557314331.db2.gz ZJIWQERZMVMAQK-UHFFFAOYSA-N 0 0 411.343 5.928 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CCCc2ccccc21 ZINC000002105651 132248954 /nfs/dbraw/zinc/24/89/54/132248954.db2.gz RRXHUWMSUKVJGV-UHFFFAOYSA-N 0 0 412.920 6.457 50 0 HKAARN Cc1ccc([C@@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C ZINC000002105780 569282952 /nfs/dbraw/zinc/28/29/52/569282952.db2.gz MCNPFDTVKKNCNO-CPJSRVTESA-N 0 0 401.550 5.669 50 0 biogenic HKAARN Cc1ccc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C ZINC000002105781 560559026 /nfs/dbraw/zinc/55/90/26/560559026.db2.gz MCNPFDTVKKNCNO-NBGIEHNGSA-N 0 0 401.550 5.669 50 0 biogenic HKAARN Cc1ccc([C@@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C ZINC000002105783 560558972 /nfs/dbraw/zinc/55/89/72/560558972.db2.gz MCNPFDTVKKNCNO-NLFFAJNJSA-N 0 0 401.550 5.669 50 0 biogenic HKAARN Cc1ccc([C@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C ZINC000002105785 569283100 /nfs/dbraw/zinc/28/31/00/569283100.db2.gz MCNPFDTVKKNCNO-CJFMBICVSA-N 0 0 401.550 5.669 50 0 biogenic HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002105790 569283115 /nfs/dbraw/zinc/28/31/15/569283115.db2.gz NNTREQGCOKKMCY-UHFFFAOYSA-N 0 0 422.311 6.978 50 0 HKAARN CC(C)Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000002105820 557314416 /nfs/dbraw/zinc/31/44/16/557314416.db2.gz NIKMQYCWBBYAHU-UHFFFAOYSA-N 0 0 408.545 6.073 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000002106116 557314423 /nfs/dbraw/zinc/31/44/23/557314423.db2.gz NJQPGLRAJDUFNS-OAHLLOKOSA-N 0 0 420.463 6.100 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000002106118 557314347 /nfs/dbraw/zinc/31/43/47/557314347.db2.gz NJQPGLRAJDUFNS-HNNXBMFYSA-N 0 0 420.463 6.100 50 0 HKAARN Cc1sc2ncnc(Sc3ccc4ccccc4c3)c2c1-c1ccc(Cl)cc1 ZINC000002106450 569283123 /nfs/dbraw/zinc/28/31/23/569283123.db2.gz MUBWDEKSNPNJGL-UHFFFAOYSA-N 0 0 418.974 7.625 50 0 HKAARN Cc1c(OC(=O)C(C)C)ccc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc12 ZINC000002106911 569283132 /nfs/dbraw/zinc/28/31/32/569283132.db2.gz DSWJAPPNHPYFFU-UHFFFAOYSA-N 0 0 421.518 6.063 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O ZINC000002107260 569283099 /nfs/dbraw/zinc/28/30/99/569283099.db2.gz VPAXBDNKDBODOD-UHFFFAOYSA-N 0 0 424.855 6.149 50 0 HKAARN CCOC(=O)c1c2cc(OC(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000002107269 569283252 /nfs/dbraw/zinc/28/32/52/569283252.db2.gz IPNSHFWCPKMKIJ-UHFFFAOYSA-N 0 0 404.393 5.635 50 0 HKAARN COc1ccc(-c2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1OC ZINC000002107363 568844592 /nfs/dbraw/zinc/84/45/92/568844592.db2.gz XQQCMODAEUSHNT-UHFFFAOYSA-N 0 0 402.446 5.365 50 0 biogenic HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000002107376 569283215 /nfs/dbraw/zinc/28/32/15/569283215.db2.gz ZHLVWZKSCYLWJY-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 HKAARN CCCOC(=O)c1ccc(Oc2coc3cc(OCC=C(C)C)ccc3c2=O)cc1 ZINC000002107389 568844603 /nfs/dbraw/zinc/84/46/03/568844603.db2.gz NZBPAJMBGVZIQZ-UHFFFAOYSA-N 0 0 408.450 5.497 50 0 biogenic HKAARN CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC=C(C)C)ccc3c2=O)cc1 ZINC000002107519 569283207 /nfs/dbraw/zinc/28/32/07/569283207.db2.gz GGSQVIUQXWFFPE-UHFFFAOYSA-N 0 0 408.450 5.415 50 0 biogenic HKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccccc1Cl ZINC000002107698 557314411 /nfs/dbraw/zinc/31/44/11/557314411.db2.gz CQALUDIFTUMULQ-UHFFFAOYSA-N 0 0 413.926 6.114 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 ZINC000002107708 557314363 /nfs/dbraw/zinc/31/43/63/557314363.db2.gz GJRGQHXULVIEAW-UHFFFAOYSA-N 0 0 423.534 5.860 50 0 HKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1ccccc1 ZINC000002107726 557314699 /nfs/dbraw/zinc/31/46/99/557314699.db2.gz SSGXPEDPZJFCGD-UHFFFAOYSA-N 0 0 417.939 5.586 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1 ZINC000002107855 557314670 /nfs/dbraw/zinc/31/46/70/557314670.db2.gz URBFXBKPGCBBSU-HXUWFJFHSA-N 0 0 401.550 7.155 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1 ZINC000002107857 557314741 /nfs/dbraw/zinc/31/47/41/557314741.db2.gz URBFXBKPGCBBSU-FQEVSTJZSA-N 0 0 401.550 7.155 50 0 HKAARN CC(C)c1ccc(OCc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000002107894 557314626 /nfs/dbraw/zinc/31/46/26/557314626.db2.gz DIPHXPRDCHRVNQ-UHFFFAOYSA-N 0 0 414.332 6.948 50 0 HKAARN COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1ccc(OC)cc1 ZINC000002107900 568844549 /nfs/dbraw/zinc/84/45/49/568844549.db2.gz LVCIIOVVCCRASN-UHFFFAOYSA-N 0 0 423.534 5.760 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)c1C ZINC000002107910 557314683 /nfs/dbraw/zinc/31/46/83/557314683.db2.gz BNGDZJZBBPAKKT-UHFFFAOYSA-N 0 0 400.305 6.442 50 0 HKAARN Cc1cc(C(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OC(C)C)c(C)o1 ZINC000002107941 557314714 /nfs/dbraw/zinc/31/47/14/557314714.db2.gz NEUMFSPGVAULQH-UHFFFAOYSA-N 0 0 411.523 6.059 50 0 HKAARN CCCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc(C)s1 ZINC000002107987 557314734 /nfs/dbraw/zinc/31/47/34/557314734.db2.gz AEUDYVKCBIIHFD-UHFFFAOYSA-N 0 0 413.564 6.221 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000002107991 557314652 /nfs/dbraw/zinc/31/46/52/557314652.db2.gz LQWOLTONHHXBFS-UHFFFAOYSA-N 0 0 413.564 6.139 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)c3ccc(C)s3)c2C(=O)OC(C)C)cc1 ZINC000002108003 557314731 /nfs/dbraw/zinc/31/47/31/557314731.db2.gz IYMPOXZFJRYBRZ-UHFFFAOYSA-N 0 0 413.564 6.165 50 0 HKAARN Cc1ccc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC(C)C)s1 ZINC000002108004 557314633 /nfs/dbraw/zinc/31/46/33/557314633.db2.gz QINWXKDIWXNVQI-UHFFFAOYSA-N 0 0 417.527 6.050 50 0 HKAARN Cc1scc(C(=O)Nc2scc(-c3cccc(C)c3)c2C(=O)OC(C)C)c1C ZINC000002108007 557314738 /nfs/dbraw/zinc/31/47/38/557314738.db2.gz QSMQSDPRAYKURK-UHFFFAOYSA-N 0 0 413.564 6.219 50 0 HKAARN CC[C@H](NC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc21)c1ccccc1 ZINC000002108164 557314727 /nfs/dbraw/zinc/31/47/27/557314727.db2.gz QCVSRBWFNDPGNF-SANMLTNESA-N 0 0 422.572 6.981 50 0 HKAARN CC[C@@H](NC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc21)c1ccccc1 ZINC000002108166 557314695 /nfs/dbraw/zinc/31/46/95/557314695.db2.gz QCVSRBWFNDPGNF-AREMUKBSSA-N 0 0 422.572 6.981 50 0 HKAARN CCCCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1 ZINC000002108243 568844554 /nfs/dbraw/zinc/84/45/54/568844554.db2.gz FQFLTKPBMAIZID-RTBURBONSA-N 0 0 418.537 5.330 50 0 HKAARN CCCCOc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)c1 ZINC000002108244 568844533 /nfs/dbraw/zinc/84/45/33/568844533.db2.gz FQFLTKPBMAIZID-OALUTQOASA-N 0 0 418.537 5.330 50 0 HKAARN COc1ccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 ZINC000002108290 569283827 /nfs/dbraw/zinc/28/38/27/569283827.db2.gz YFBFQTGISIKPSF-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 HKAARN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 ZINC000002108769 557314678 /nfs/dbraw/zinc/31/46/78/557314678.db2.gz DYIYCKIVRMVGDF-UHFFFAOYSA-N 0 0 415.555 5.479 50 0 HKAARN CCCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000002108801 569283743 /nfs/dbraw/zinc/28/37/43/569283743.db2.gz JYGKOMQEUOILDF-ZMNABIIRSA-N 0 0 404.554 5.283 50 0 biogenic HKAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002108922 569283788 /nfs/dbraw/zinc/28/37/88/569283788.db2.gz AMBNKPHHGMYOMP-OFOQCOESSA-N 0 0 404.554 5.283 50 0 biogenic HKAARN COC(=O)c1cc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c(C)o1 ZINC000002109480 569060430 /nfs/dbraw/zinc/06/04/30/569060430.db2.gz LWPWGTUCFBUWSN-UHFFFAOYSA-N 0 0 424.836 5.380 50 0 biogenic HKAARN CCCCCc1ccc(-c2coc3c2cc2c(-c4ccccc4)cc(=O)oc2c3C)cc1 ZINC000002109549 569060427 /nfs/dbraw/zinc/06/04/27/569060427.db2.gz VGBNOSAVEGWDHI-UHFFFAOYSA-N 0 0 422.524 7.914 50 0 biogenic HKAARN Cc1c2cc3c(cc2oc(=O)c1Cc1ccccc1)occ3-c1ccc2c(c1)OCO2 ZINC000002110102 569283803 /nfs/dbraw/zinc/28/38/03/569283803.db2.gz RLECXMOOWIMQDE-UHFFFAOYSA-N 0 0 410.425 5.834 50 0 biogenic HKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002110899 569283989 /nfs/dbraw/zinc/28/39/89/569283989.db2.gz VXLZFOGJWKLCAK-IQGLISFBSA-N 0 0 420.940 5.322 50 0 biogenic HKAARN CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000002110937 569283994 /nfs/dbraw/zinc/28/39/94/569283994.db2.gz IEFRVMKLIFGNMU-ZRVKMLQASA-N 0 0 404.554 5.283 50 0 biogenic HKAARN Cc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c3ccccc3n2)c1 ZINC000002111274 557314962 /nfs/dbraw/zinc/31/49/62/557314962.db2.gz NMKMIQUMVRKBPQ-FQEVSTJZSA-N 0 0 422.572 6.999 50 0 HKAARN Cc1cccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)c3ccccc3n2)c1 ZINC000002111276 557314868 /nfs/dbraw/zinc/31/48/68/557314868.db2.gz NMKMIQUMVRKBPQ-HXUWFJFHSA-N 0 0 422.572 6.999 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1csc(CC)c1 ZINC000002111510 557314947 /nfs/dbraw/zinc/31/49/47/557314947.db2.gz HTRQVHQJDDMIHQ-AWEZNQCLSA-N 0 0 413.564 5.953 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1csc(CC)c1 ZINC000002111512 557314961 /nfs/dbraw/zinc/31/49/61/557314961.db2.gz HTRQVHQJDDMIHQ-CQSZACIVSA-N 0 0 413.564 5.953 50 0 HKAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCCCC3)cs1 ZINC000002111744 557314904 /nfs/dbraw/zinc/31/49/04/557314904.db2.gz JMGFALMHRINRNF-UHFFFAOYSA-N 0 0 405.585 5.850 50 0 HKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002112147 557315019 /nfs/dbraw/zinc/31/50/19/557315019.db2.gz ICVDXMYROPWLBQ-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3ccccc3n2)s1 ZINC000002112239 557315015 /nfs/dbraw/zinc/31/50/15/557315015.db2.gz SWUKULLLQVZFNB-UHFFFAOYSA-N 0 0 400.547 6.901 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(F)cc3F)CO2)cc1 ZINC000002112429 569284078 /nfs/dbraw/zinc/28/40/78/569284078.db2.gz JXSCUIVTIWDPBB-UHFFFAOYSA-N 0 0 421.399 5.103 50 0 biogenic HKAARN Cc1sc(NC(=S)NC(=O)c2ccc(Cl)cc2)nc1-c1cc(C)ccc1C ZINC000002112502 557314972 /nfs/dbraw/zinc/31/49/72/557314972.db2.gz UUUGBFBVHBXDIF-UHFFFAOYSA-N 0 0 415.971 5.516 50 0 HKAARN CCc1ccc(-c2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2C)cc1 ZINC000002112518 557314909 /nfs/dbraw/zinc/31/49/09/557314909.db2.gz QALBFCWVDVYPIY-UHFFFAOYSA-N 0 0 415.971 5.461 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC4)c3cc(C)ccc3n2)cc1 ZINC000002112667 557315280 /nfs/dbraw/zinc/31/52/80/557315280.db2.gz ULQLUSMKGHHRJB-UHFFFAOYSA-N 0 0 422.528 6.350 50 0 HKAARN CCc1cccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)c1 ZINC000002112785 569284237 /nfs/dbraw/zinc/28/42/37/569284237.db2.gz QLEFSHXETFKJNP-UHFFFAOYSA-N 0 0 413.473 5.388 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(Cl)cc1)CO2 ZINC000002112834 569284207 /nfs/dbraw/zinc/28/42/07/569284207.db2.gz VBEDYBMUHCOXFP-UHFFFAOYSA-N 0 0 403.865 5.778 50 0 biogenic HKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2C)nc1-c1ccc(CC(C)C)cc1 ZINC000002112840 557315175 /nfs/dbraw/zinc/31/51/75/557315175.db2.gz SWKSBKSBDUOXCY-UHFFFAOYSA-N 0 0 423.607 5.752 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cc(Cl)cc(Cl)c1)CO3 ZINC000002112885 569284251 /nfs/dbraw/zinc/28/42/51/569284251.db2.gz ZCXMICLGWSKEAY-UHFFFAOYSA-N 0 0 424.283 6.123 50 0 biogenic HKAARN CC[C@H](NC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccc(C(C)C)cc1 ZINC000002112903 557315272 /nfs/dbraw/zinc/31/52/72/557315272.db2.gz MPRBKWAUUISTLZ-DEOSSOPVSA-N 0 0 421.968 6.924 50 0 HKAARN CC[C@@H](NC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccc(C(C)C)cc1 ZINC000002112905 557315244 /nfs/dbraw/zinc/31/52/44/557315244.db2.gz MPRBKWAUUISTLZ-XMMPIXPASA-N 0 0 421.968 6.924 50 0 HKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2C)nc1-c1ccc(C(C)C)cc1 ZINC000002113040 557315296 /nfs/dbraw/zinc/31/52/96/557315296.db2.gz UURZBRIXDALKIF-UHFFFAOYSA-N 0 0 409.580 5.677 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(COc2ccccc2Cl)cc1 ZINC000002113042 557315291 /nfs/dbraw/zinc/31/52/91/557315291.db2.gz MIRNYKRAERCWJK-UHFFFAOYSA-N 0 0 423.793 6.329 50 0 HKAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)c2ccccc2n3CC)CO1 ZINC000002113052 569284209 /nfs/dbraw/zinc/28/42/09/569284209.db2.gz WBUAPOGKKXMZQL-UHFFFAOYSA-N 0 0 424.500 5.840 50 0 biogenic HKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2Cl)nc1-c1cc(C)ccc1C ZINC000002113148 557315171 /nfs/dbraw/zinc/31/51/71/557315171.db2.gz QFABIFZSPHBDNL-UHFFFAOYSA-N 0 0 415.971 5.516 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Cl)cc1Cl)CO3 ZINC000002113223 132248948 /nfs/dbraw/zinc/24/89/48/132248948.db2.gz GGBSENOARZCZHA-UHFFFAOYSA-N 0 0 424.283 6.123 50 0 HKAARN Cc1cccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)c1 ZINC000002113401 569284120 /nfs/dbraw/zinc/28/41/20/569284120.db2.gz CLQSEPWZDQNSIA-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(C)cc3C)CO2)cc1 ZINC000002113449 569284081 /nfs/dbraw/zinc/28/40/81/569284081.db2.gz MACIXVSAVDGYJZ-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN CCOc1ccc(Br)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 ZINC000002113476 557315210 /nfs/dbraw/zinc/31/52/10/557315210.db2.gz XNTMRKYKVLEFLO-ZSOIEALJSA-N 0 0 423.104 5.103 50 0 HKAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Br)cc2C)CO1 ZINC000002113508 569284240 /nfs/dbraw/zinc/28/42/40/569284240.db2.gz IOLPVTUOCWGBLB-UHFFFAOYSA-N 0 0 414.299 5.173 50 0 biogenic HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccccc2)Nc2ccccc2-3)cc1 ZINC000002113801 557315202 /nfs/dbraw/zinc/31/52/02/557315202.db2.gz BKEDGWZQHDMHMI-JOCHJYFZSA-N 0 0 412.518 5.642 50 0 HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccc2)Nc2ccccc2-3)cc1 ZINC000002113804 557315225 /nfs/dbraw/zinc/31/52/25/557315225.db2.gz BKEDGWZQHDMHMI-QFIPXVFZSA-N 0 0 412.518 5.642 50 0 HKAARN Cc1cccc(C(C)C)c1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000002114076 569284250 /nfs/dbraw/zinc/28/42/50/569284250.db2.gz BXVDICXZGYEWLU-UHFFFAOYSA-N 0 0 411.501 6.248 50 0 biogenic HKAARN O=C1SC(SCc2ccccc2Cl)=N/C1=C/c1ccc(Br)o1 ZINC000002114242 559274849 /nfs/dbraw/zinc/27/48/49/559274849.db2.gz SXPMUKHDVBFXKV-KPKJPENVSA-N 0 0 414.733 5.599 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cc(C)ccc3C)CO2)cc1 ZINC000002114278 569284476 /nfs/dbraw/zinc/28/44/76/569284476.db2.gz LCSODVDGMLRYLR-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)c(F)c1)CO2 ZINC000002114350 569284489 /nfs/dbraw/zinc/28/44/89/569284489.db2.gz KUZKQHPRYPCFTK-UHFFFAOYSA-N 0 0 405.400 5.403 50 0 biogenic HKAARN CCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc43)c(Cl)cc12 ZINC000002114509 569284507 /nfs/dbraw/zinc/28/45/07/569284507.db2.gz VHSQSCLPKOTMNY-UHFFFAOYSA-N 0 0 409.869 5.071 50 0 biogenic HKAARN Cc1cccc(COc2ccc3c(c2)oc(=O)cc3-c2cc3ccccc3oc2=O)c1 ZINC000002114512 569284532 /nfs/dbraw/zinc/28/45/32/569284532.db2.gz VFKRXDVXHWERSF-UHFFFAOYSA-N 0 0 410.425 5.454 50 0 biogenic HKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(c1ccc(F)cc1)C3 ZINC000002114561 569284482 /nfs/dbraw/zinc/28/44/82/569284482.db2.gz XPXINMPPCXMNRK-UHFFFAOYSA-N 0 0 415.464 5.496 50 0 biogenic HKAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Oc3ccccc3)cc2)CO1 ZINC000002114662 569284527 /nfs/dbraw/zinc/28/45/27/569284527.db2.gz GDFNYSLFEYJGJK-UHFFFAOYSA-N 0 0 413.473 5.894 50 0 biogenic HKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)scc1-c1ccc(F)cc1 ZINC000002114738 557315483 /nfs/dbraw/zinc/31/54/83/557315483.db2.gz BRPCSRIPFZUZHL-UHFFFAOYSA-N 0 0 424.280 5.900 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(=O)OC)C1 ZINC000002114785 557315505 /nfs/dbraw/zinc/31/55/05/557315505.db2.gz XTQYEZGNAHCUKM-JTQLQIEISA-N 0 0 412.338 5.609 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(=O)OC)C1 ZINC000002114787 557315456 /nfs/dbraw/zinc/31/54/56/557315456.db2.gz XTQYEZGNAHCUKM-SNVBAGLBSA-N 0 0 412.338 5.609 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)COc1ccccc1C ZINC000002114837 557315472 /nfs/dbraw/zinc/31/54/72/557315472.db2.gz ZEDNEJZCIBIVIL-UHFFFAOYSA-N 0 0 423.534 5.535 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002114840 557315427 /nfs/dbraw/zinc/31/54/27/557315427.db2.gz JAEGXDQSMKRWSK-UHFFFAOYSA-N 0 0 403.309 6.334 50 0 HKAARN O=C(CCCCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000002115068 557315488 /nfs/dbraw/zinc/31/54/88/557315488.db2.gz SNBFDYGZTCWLDO-UHFFFAOYSA-N 0 0 401.240 5.409 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)cc1C ZINC000002115147 557315496 /nfs/dbraw/zinc/31/54/96/557315496.db2.gz DMMQPJJBVQQNDO-UHFFFAOYSA-N 0 0 420.434 6.790 50 0 HKAARN C[C@H](NC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 ZINC000002115207 557315429 /nfs/dbraw/zinc/31/54/29/557315429.db2.gz ZIHPONDZXVGXIB-INIZCTEOSA-N 0 0 410.311 5.519 50 0 HKAARN C[C@@H](NC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 ZINC000002115209 557315492 /nfs/dbraw/zinc/31/54/92/557315492.db2.gz ZIHPONDZXVGXIB-MRXNPFEDSA-N 0 0 410.311 5.519 50 0 HKAARN O=c1oc2c(ccc3c2CN(c2ccc(Oc4ccccc4)cc2)CO3)c2c1CCC2 ZINC000002115584 569284649 /nfs/dbraw/zinc/28/46/49/569284649.db2.gz YSSATQPSUYWKHQ-UHFFFAOYSA-N 0 0 411.457 5.431 50 0 biogenic HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000002115585 557315458 /nfs/dbraw/zinc/31/54/58/557315458.db2.gz FZFTVEIGKYFLAQ-UHFFFAOYSA-N 0 0 419.524 6.263 50 0 HKAARN CCc1ccccc1N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 ZINC000002115858 569284658 /nfs/dbraw/zinc/28/46/58/569284658.db2.gz RKTZFFSADPJZSE-UHFFFAOYSA-N 0 0 411.501 5.611 50 0 biogenic HKAARN Cc1cc(C)c(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c(C)c1 ZINC000002115906 569284651 /nfs/dbraw/zinc/28/46/51/569284651.db2.gz LLRANUYGWAISAO-UHFFFAOYSA-N 0 0 411.501 6.050 50 0 biogenic HKAARN CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C ZINC000002116113 569284621 /nfs/dbraw/zinc/28/46/21/569284621.db2.gz FSFRMGYTTNBARV-CHRLLVKBSA-N 0 0 420.505 5.178 50 0 biogenic HKAARN CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C ZINC000002116115 569284630 /nfs/dbraw/zinc/28/46/30/569284630.db2.gz FSFRMGYTTNBARV-RJMZVBKJSA-N 0 0 420.505 5.178 50 0 biogenic HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000002116282 569284631 /nfs/dbraw/zinc/28/46/31/569284631.db2.gz VCIWUKDDAJEZBS-PRVBGKCFSA-N 0 0 408.545 6.652 50 0 biogenic HKAARN O=C1NC(=Cc2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002116406 557315674 /nfs/dbraw/zinc/31/56/74/557315674.db2.gz RZIDIJNGIUJUDN-UYRXBGFRSA-N 0 0 406.894 5.589 50 0 HKAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000002116417 569284729 /nfs/dbraw/zinc/28/47/29/569284729.db2.gz MRTBVEZPPZIQIP-GKDIGFIRSA-N 0 0 400.603 6.114 50 0 biogenic HKAARN CCc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 ZINC000002116556 569284675 /nfs/dbraw/zinc/28/46/75/569284675.db2.gz MBCVYEYFNRXYCH-UHFFFAOYSA-N 0 0 411.501 5.611 50 0 biogenic HKAARN CCCCOC(=O)c1ccc(N2COc3ccc4c(CCC)cc(=O)oc4c3C2)cc1 ZINC000002116628 569284722 /nfs/dbraw/zinc/28/47/22/569284722.db2.gz XCZLTVGZVMKSHJ-UHFFFAOYSA-N 0 0 421.493 5.059 50 0 biogenic HKAARN Cc1ccc(C)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 ZINC000002116642 569284712 /nfs/dbraw/zinc/28/47/12/569284712.db2.gz XXMMCFZHJISWDO-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN O=C(NCc1cccnc1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000002116745 569284643 /nfs/dbraw/zinc/28/46/43/569284643.db2.gz UXNDICPTUYSAJB-UHFFFAOYSA-N 0 0 412.880 5.362 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(F)c(Cl)c1)CO3 ZINC000002116778 569284622 /nfs/dbraw/zinc/28/46/22/569284622.db2.gz NUGDZWLFHHEMIR-UHFFFAOYSA-N 0 0 407.828 5.609 50 0 biogenic HKAARN Cc1ccccc1COc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000002116888 569284665 /nfs/dbraw/zinc/28/46/65/569284665.db2.gz MVTAATQSMVYTRZ-UHFFFAOYSA-N 0 0 410.425 5.454 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cccc(Cl)c3)CO2)cc1 ZINC000002116894 569284745 /nfs/dbraw/zinc/28/47/45/569284745.db2.gz SGTUJPZSZULKHB-UHFFFAOYSA-N 0 0 419.864 5.479 50 0 biogenic HKAARN Cc1cc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)ccc1Br ZINC000002117107 569284755 /nfs/dbraw/zinc/28/47/55/569284755.db2.gz WZDNVGLLCNFDIL-UHFFFAOYSA-N 0 0 414.299 5.146 50 0 biogenic HKAARN Cc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1 ZINC000002117181 132248968 /nfs/dbraw/zinc/24/89/68/132248968.db2.gz XLQARSPLVQJDEA-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(C(F)(F)F)c1)CO3 ZINC000002117253 569284734 /nfs/dbraw/zinc/28/47/34/569284734.db2.gz MZQTXRXSHZZAAO-UHFFFAOYSA-N 0 0 423.390 5.835 50 0 biogenic HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000002117366 557315745 /nfs/dbraw/zinc/31/57/45/557315745.db2.gz YPOYQXRYOUALQD-UHFFFAOYSA-N 0 0 421.562 5.582 50 0 HKAARN O=c1nc(C(Cc2ccccc2)Cc2ccccc2)[nH]c2sc3c(c21)CCCCC3 ZINC000002117375 557315643 /nfs/dbraw/zinc/31/56/43/557315643.db2.gz KNSHIUWADCEBKV-UHFFFAOYSA-N 0 0 414.574 5.823 50 0 HKAARN Cc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1C ZINC000002117462 569284719 /nfs/dbraw/zinc/28/47/19/569284719.db2.gz NYJIPNCZZOZTBG-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(C)c(F)c3)CO2)cc1 ZINC000002117667 569284690 /nfs/dbraw/zinc/28/46/90/569284690.db2.gz IVNHBJGZUQOJIS-UHFFFAOYSA-N 0 0 417.436 5.273 50 0 biogenic HKAARN CSc1nc(Cl)c(Cc2ccc(OCC(C)C)cc2)c(N2CCCCC2)n1 ZINC000002117711 132248990 /nfs/dbraw/zinc/24/89/90/132248990.db2.gz WWUPBSCIDXJZBZ-UHFFFAOYSA-N 0 0 405.995 5.468 50 0 HKAARN Cc1c(OCc2ccccc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002117725 569284741 /nfs/dbraw/zinc/28/47/41/569284741.db2.gz LXXSTFSQOZCTRI-UHFFFAOYSA-N 0 0 410.425 5.454 50 0 biogenic HKAARN O=C1c2ccccc2[C@](O)([C@@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 ZINC000002117972 557315721 /nfs/dbraw/zinc/31/57/21/557315721.db2.gz TUSWLPKKCDOOCI-YTMVLYRLSA-N 0 0 419.524 5.514 50 0 HKAARN O=C1c2ccccc2[C@](O)([C@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 ZINC000002117976 557315679 /nfs/dbraw/zinc/31/56/79/557315679.db2.gz TUSWLPKKCDOOCI-PXJZQJOASA-N 0 0 419.524 5.514 50 0 HKAARN O=C1c2ccccc2[C@@](O)([C@@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 ZINC000002117979 557315724 /nfs/dbraw/zinc/31/57/24/557315724.db2.gz TUSWLPKKCDOOCI-LMSSTIIKSA-N 0 0 419.524 5.514 50 0 HKAARN O=C1c2ccccc2[C@@](O)([C@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 ZINC000002117982 557315704 /nfs/dbraw/zinc/31/57/04/557315704.db2.gz TUSWLPKKCDOOCI-XRKRLSELSA-N 0 0 419.524 5.514 50 0 HKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000002118079 557315638 /nfs/dbraw/zinc/31/56/38/557315638.db2.gz BCOIYILSRRTWOT-UHFFFAOYSA-N 0 0 408.523 5.856 50 0 HKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)c1cc(Cl)ccc1Cl ZINC000002118372 557315960 /nfs/dbraw/zinc/31/59/60/557315960.db2.gz XZAWZPVIOQJKNK-UHFFFAOYSA-N 0 0 405.331 6.145 50 0 HKAARN CCCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000002118383 569284813 /nfs/dbraw/zinc/28/48/13/569284813.db2.gz YQMKHNUNNAQUSG-UHFFFAOYSA-N 0 0 420.563 5.695 50 0 HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)c(Cl)c1)CO2 ZINC000002118533 569284824 /nfs/dbraw/zinc/28/48/24/569284824.db2.gz VDCLJZKSOJEKTP-UHFFFAOYSA-N 0 0 421.855 5.917 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C(=O)OCCC)cc2)CO1 ZINC000002118637 569284804 /nfs/dbraw/zinc/28/48/04/569284804.db2.gz BHILXUIWTXFCPV-UHFFFAOYSA-N 0 0 421.493 5.059 50 0 biogenic HKAARN COc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 ZINC000002118979 569284799 /nfs/dbraw/zinc/28/47/99/569284799.db2.gz XQQFMVITIWLXKU-UHFFFAOYSA-N 0 0 413.473 5.057 50 0 biogenic HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1C(F)(F)F)CCCCCC3 ZINC000002119106 569284855 /nfs/dbraw/zinc/28/48/55/569284855.db2.gz WXWRROBOEYTBLJ-UHFFFAOYSA-N 0 0 419.472 5.809 50 0 HKAARN CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O ZINC000002119172 569284806 /nfs/dbraw/zinc/28/48/06/569284806.db2.gz OWDFCCXBJJHINM-IBGZPJMESA-N 0 0 406.522 6.183 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O ZINC000002119174 569284835 /nfs/dbraw/zinc/28/48/35/569284835.db2.gz OWDFCCXBJJHINM-LJQANCHMSA-N 0 0 406.522 6.183 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc(Cl)cc5)c4cc23)cc1 ZINC000002119194 569284828 /nfs/dbraw/zinc/28/48/28/569284828.db2.gz XBQWLTQIIGQCNW-UHFFFAOYSA-N 0 0 416.860 6.844 50 0 biogenic HKAARN COc1ccccc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002119233 569060477 /nfs/dbraw/zinc/06/04/77/569060477.db2.gz OIYOORVPECWUBU-UHFFFAOYSA-N 0 0 400.474 5.588 50 0 biogenic HKAARN COc1ccc(-c2coc3c2cc2c(-c4ccc(OC)cc4)cc(=O)oc2c3C)cc1 ZINC000002119319 569060472 /nfs/dbraw/zinc/06/04/72/569060472.db2.gz MXSNQLWOPGMJKK-UHFFFAOYSA-N 0 0 412.441 6.199 50 0 biogenic HKAARN COc1cccc(COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)c1 ZINC000002119321 569060488 /nfs/dbraw/zinc/06/04/88/569060488.db2.gz YSFQGAZZCVUXRH-UHFFFAOYSA-N 0 0 400.474 5.588 50 0 biogenic HKAARN Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002119329 569060499 /nfs/dbraw/zinc/06/04/99/569060499.db2.gz UIEJIRIYLMCTQC-IBGZPJMESA-N 0 0 412.485 5.651 50 0 biogenic HKAARN Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002119331 569060494 /nfs/dbraw/zinc/06/04/94/569060494.db2.gz UIEJIRIYLMCTQC-LJQANCHMSA-N 0 0 412.485 5.651 50 0 biogenic HKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1OC)CCC3 ZINC000002119381 569284906 /nfs/dbraw/zinc/28/49/06/569284906.db2.gz RKZUTPUJBDFZEI-UHFFFAOYSA-N 0 0 406.522 5.992 50 0 biogenic HKAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000002119391 569284881 /nfs/dbraw/zinc/28/48/81/569284881.db2.gz UEIHKIRLQWTCLQ-SXGWCWSVSA-N 0 0 421.291 5.003 50 0 HKAARN Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000002119395 557315954 /nfs/dbraw/zinc/31/59/54/557315954.db2.gz FPYYPTMNCFMNNV-LICLKQGHSA-N 0 0 417.328 5.172 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(C)c(C)c3)CO2)cc1 ZINC000002119504 569284933 /nfs/dbraw/zinc/28/49/33/569284933.db2.gz RCARCIJVKYPIMC-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc3C2)cc1 ZINC000002119539 569284923 /nfs/dbraw/zinc/28/49/23/569284923.db2.gz WLQQDZYGWRVVDC-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)cc2)CO4)cc1 ZINC000002119542 569284938 /nfs/dbraw/zinc/28/49/38/569284938.db2.gz WLMXEDKZXREOFB-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN O=C1S/C(=C\c2ccc(F)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000002119777 557315956 /nfs/dbraw/zinc/31/59/56/557315956.db2.gz DGJBGFJBEQTSBP-AUWJEWJLSA-N 0 0 412.667 5.483 50 0 HKAARN COc1ccc(Cl)cc1NCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000002119785 569284952 /nfs/dbraw/zinc/28/49/52/569284952.db2.gz WXYGFVPBAZSFKX-WCTLISOUSA-N 0 0 400.887 5.011 50 0 HKAARN Cc1ccc(C)c(COc2ccc3c(c2)oc(=O)cc3-c2cc3ccccc3oc2=O)c1 ZINC000002119958 569284946 /nfs/dbraw/zinc/28/49/46/569284946.db2.gz KERCSLDFNDMWRO-UHFFFAOYSA-N 0 0 424.452 5.762 50 0 biogenic HKAARN CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000002120055 557315973 /nfs/dbraw/zinc/31/59/73/557315973.db2.gz NZISTAJAKWRFPQ-UHFFFAOYSA-N 0 0 417.534 5.820 50 0 HKAARN CSc1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000002120069 569284905 /nfs/dbraw/zinc/28/49/05/569284905.db2.gz AGLVOIZGOPNYKI-MFOYZWKCSA-N 0 0 404.944 5.476 50 0 HKAARN CCOc1ccccc1/C=C1/SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O ZINC000002120214 557315966 /nfs/dbraw/zinc/31/59/66/557315966.db2.gz JAOFFAWTTMHEAY-LICLKQGHSA-N 0 0 422.428 5.210 50 0 HKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 ZINC000002120246 569285371 /nfs/dbraw/zinc/28/53/71/569285371.db2.gz ABIQFFOPCMTOJJ-UHFFFAOYSA-N 0 0 413.473 5.867 50 0 biogenic HKAARN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000002120272 557315928 /nfs/dbraw/zinc/31/59/28/557315928.db2.gz YGPQHJNGRXLHOE-BAGULLTOSA-N 0 0 404.413 5.368 50 0 HKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 ZINC000002120646 569285497 /nfs/dbraw/zinc/28/54/97/569285497.db2.gz JRVCGOMFOHBFEG-UHFFFAOYSA-N 0 0 413.473 5.813 50 0 biogenic HKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc(F)c3)cc2o1 ZINC000002120692 569285525 /nfs/dbraw/zinc/28/55/25/569285525.db2.gz VWQUPOTWQWDOPT-UHFFFAOYSA-N 0 0 414.388 5.285 50 0 biogenic HKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3F)cc2o1 ZINC000002120710 569285517 /nfs/dbraw/zinc/28/55/17/569285517.db2.gz PSFQHMCXWIPEIC-UHFFFAOYSA-N 0 0 414.388 5.285 50 0 biogenic HKAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000002120993 557315922 /nfs/dbraw/zinc/31/59/22/557315922.db2.gz IOIGBONXPCRXIM-UHFFFAOYSA-N 0 0 418.276 6.073 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(F)c2)CO4)cc1 ZINC000002121080 569285492 /nfs/dbraw/zinc/28/54/92/569285492.db2.gz SJWXZCPFSPPMKZ-UHFFFAOYSA-N 0 0 417.436 5.273 50 0 biogenic HKAARN Cc1c2occ(-c3ccc(Br)cc3)c2cc2c3c(c(=O)oc12)CCCC3 ZINC000002121298 569285515 /nfs/dbraw/zinc/28/55/15/569285515.db2.gz CMWWQNFMTXTBPZ-UHFFFAOYSA-N 0 0 409.279 6.156 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5cccc(OC)c5)c4cc23)cc1 ZINC000002121299 569285484 /nfs/dbraw/zinc/28/54/84/569285484.db2.gz VPBAFKLFTWXGLS-UHFFFAOYSA-N 0 0 412.441 6.199 50 0 biogenic HKAARN O=C1c2cc3oc4ccccc4c3cc2N=C1NNc1ccc2oc3ccccc3c2c1 ZINC000002121309 569285495 /nfs/dbraw/zinc/28/54/95/569285495.db2.gz PFQBBXSVRABACO-UHFFFAOYSA-N 0 0 417.424 6.328 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(=O)c4ccccc4)c32)cc1 ZINC000002121388 569285636 /nfs/dbraw/zinc/28/56/36/569285636.db2.gz MUBKHCDOPHHYNT-UHFFFAOYSA-N 0 0 400.430 5.039 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4c(F)cccc4Cl)ccc32)cc1 ZINC000002121433 569060510 /nfs/dbraw/zinc/06/05/10/569060510.db2.gz RPEZPGVLDKMZSF-UHFFFAOYSA-N 0 0 410.828 5.840 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccccc3Cl)CO2)cc1 ZINC000002121808 569285644 /nfs/dbraw/zinc/28/56/44/569285644.db2.gz AKQUBTQXCAYWHL-UHFFFAOYSA-N 0 0 419.864 5.479 50 0 biogenic HKAARN Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl ZINC000002121864 569285601 /nfs/dbraw/zinc/28/56/01/569285601.db2.gz LNIFWWFRJZMZMP-UHFFFAOYSA-N 0 0 403.865 5.778 50 0 biogenic HKAARN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000002122044 557315953 /nfs/dbraw/zinc/31/59/53/557315953.db2.gz YMHGSWHGMUDEBF-UHFFFAOYSA-N 0 0 417.317 5.913 50 0 HKAARN Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)cccc1-c1nc2ccccc2s1 ZINC000002122053 557315948 /nfs/dbraw/zinc/31/59/48/557315948.db2.gz UQPVNTSRYHRNQU-UHFFFAOYSA-N 0 0 421.522 5.538 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000002122055 557316104 /nfs/dbraw/zinc/31/61/04/557316104.db2.gz SDTSLUHRVPMDSS-UHFFFAOYSA-N 0 0 403.532 5.399 50 0 aggregator HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000002122059 557316234 /nfs/dbraw/zinc/31/62/34/557316234.db2.gz GVCWCBOUHQYXDS-UHFFFAOYSA-N 0 0 403.532 5.399 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(C)c2)CO4)cc1 ZINC000002122244 569285736 /nfs/dbraw/zinc/28/57/36/569285736.db2.gz POACITFBYLULQM-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN Cc1cc(C)cc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 ZINC000002122346 569285725 /nfs/dbraw/zinc/28/57/25/569285725.db2.gz MIIBCPIKCFXVIB-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN Cc1ccc(Cl)cc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000002122538 569285595 /nfs/dbraw/zinc/28/55/95/569285595.db2.gz PMPMYXVFXBXJTC-UHFFFAOYSA-N 0 0 403.865 5.778 50 0 biogenic HKAARN O=C(NCc1cccnc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000002122569 569285614 /nfs/dbraw/zinc/28/56/14/569285614.db2.gz OQCHRRFAEAZIAB-UHFFFAOYSA-N 0 0 412.880 5.362 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(F)c(F)c3)CO2)cc1 ZINC000002122573 569285572 /nfs/dbraw/zinc/28/55/72/569285572.db2.gz KDBHFCUMFUMIQM-UHFFFAOYSA-N 0 0 421.399 5.103 50 0 biogenic HKAARN Cc1c(C(=O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c2ccccc2n1C ZINC000002122627 569285639 /nfs/dbraw/zinc/28/56/39/569285639.db2.gz GBPXYPADROANGT-UHFFFAOYSA-N 0 0 409.869 5.125 50 0 biogenic HKAARN CCc1ccccc1N1COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C1 ZINC000002122659 569285605 /nfs/dbraw/zinc/28/56/05/569285605.db2.gz BHTQANARQNGTTC-UHFFFAOYSA-N 0 0 413.473 5.388 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1cccc(Cl)c1)CO2 ZINC000002122739 569285593 /nfs/dbraw/zinc/28/55/93/569285593.db2.gz XOVDHICPDVMCAN-UHFFFAOYSA-N 0 0 403.865 5.778 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cccc(C)c3C)CO2)cc1 ZINC000002122934 569285645 /nfs/dbraw/zinc/28/56/45/569285645.db2.gz DXZVRZDDWDETDE-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)cc1F)CO2 ZINC000002122957 569285587 /nfs/dbraw/zinc/28/55/87/569285587.db2.gz SJCNGHMUPUOZPK-UHFFFAOYSA-N 0 0 405.400 5.403 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(Cl)c1Cl)CO3 ZINC000002123057 569285863 /nfs/dbraw/zinc/28/58/63/569285863.db2.gz YEBRPWWEPDBUKN-UHFFFAOYSA-N 0 0 424.283 6.123 50 0 biogenic HKAARN CC(=O)N1N=C(c2cccc3ccccc32)O[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000002123232 569285747 /nfs/dbraw/zinc/28/57/47/569285747.db2.gz RGZVFDYYFDQRFO-HHHXNRCGSA-N 0 0 422.484 5.658 50 0 HKAARN CC(=O)N1N=C(c2cccc3ccccc32)O[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000002123234 569285728 /nfs/dbraw/zinc/28/57/28/569285728.db2.gz RGZVFDYYFDQRFO-MHZLTWQESA-N 0 0 422.484 5.658 50 0 HKAARN CCn1c2ccccc2c2cc(N3COc4ccc5c(C)c(C)c(=O)oc5c4C3)ccc21 ZINC000002123317 569285723 /nfs/dbraw/zinc/28/57/23/569285723.db2.gz XZVPGNUPTFVNTA-UHFFFAOYSA-N 0 0 424.500 5.894 50 0 biogenic HKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)cc(CCCC)c4cc3C2)cc1 ZINC000002123833 569285682 /nfs/dbraw/zinc/28/56/82/569285682.db2.gz NSEZQIOSQHLQSA-UHFFFAOYSA-N 0 0 405.538 6.143 50 0 biogenic HKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccccc1F ZINC000002124252 557316174 /nfs/dbraw/zinc/31/61/74/557316174.db2.gz GMRYUEMRFQGEHM-UHFFFAOYSA-N 0 0 414.314 5.529 50 0 HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000002124531 569286076 /nfs/dbraw/zinc/28/60/76/569286076.db2.gz HGGPYRPVMWSYOB-GKAFBRTNSA-N 0 0 409.529 6.619 50 0 biogenic HKAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000002124616 132248967 /nfs/dbraw/zinc/24/89/67/132248967.db2.gz YHNOJMZBVQOVPF-UHFFFAOYSA-N 0 0 421.493 5.032 50 0 HKAARN CC(C)(C)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002124687 569286126 /nfs/dbraw/zinc/28/61/26/569286126.db2.gz SYCITCXCFMHQJG-UHFFFAOYSA-N 0 0 411.501 6.114 50 0 biogenic HKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(c1ccccc1F)C3 ZINC000002124765 569286062 /nfs/dbraw/zinc/28/60/62/569286062.db2.gz UAIIMCGJPZGKJV-UHFFFAOYSA-N 0 0 415.464 5.496 50 0 biogenic HKAARN CC(C)c1ccc(-c2nc(C(=O)NCc3cccnc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002124788 569286132 /nfs/dbraw/zinc/28/61/32/569286132.db2.gz DTZDWBIVZCTLEM-UHFFFAOYSA-N 0 0 420.516 5.832 50 0 biogenic HKAARN Cc1cc(C)cc(COc2ccc3c(c2)oc(=O)cc3-c2cc3ccccc3oc2=O)c1 ZINC000002124835 569286085 /nfs/dbraw/zinc/28/60/85/569286085.db2.gz YPXXBQJNEHGWIC-UHFFFAOYSA-N 0 0 424.452 5.762 50 0 HKAARN Cc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1C ZINC000002124879 569286112 /nfs/dbraw/zinc/28/61/12/569286112.db2.gz RXDRNWYPEZKDFW-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN Cc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1Cl ZINC000002125021 569286127 /nfs/dbraw/zinc/28/61/27/569286127.db2.gz VAVRKAZAQLOCLT-UHFFFAOYSA-N 0 0 417.892 6.087 50 0 biogenic HKAARN CCc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000002125197 536185420 /nfs/dbraw/zinc/18/54/20/536185420.db2.gz PSKQASISEWJKNT-UHFFFAOYSA-N 0 0 411.501 5.611 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cc(C)cc(C)c3)CO2)cc1 ZINC000002125232 569286188 /nfs/dbraw/zinc/28/61/88/569286188.db2.gz QWQKRZBQRNGDKN-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN CCn1c2ccccc2c2cc(N3COc4ccc5c(C)cc(=O)oc5c4C3)ccc21 ZINC000002125239 569286143 /nfs/dbraw/zinc/28/61/43/569286143.db2.gz NAUJXQBGKMRJEL-UHFFFAOYSA-N 0 0 410.473 5.586 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccccc2C)CO4)cc1 ZINC000002125269 569286120 /nfs/dbraw/zinc/28/61/20/569286120.db2.gz AXMHYGCLSXLTNR-UHFFFAOYSA-N 0 0 413.473 5.442 50 0 biogenic HKAARN Cc1cc(Br)ccc1N1COc2c(C)c3oc(=O)c(C)c(C)c3cc2C1 ZINC000002125435 569286149 /nfs/dbraw/zinc/28/61/49/569286149.db2.gz PBLVUMNMPKTJHP-UHFFFAOYSA-N 0 0 414.299 5.146 50 0 biogenic HKAARN Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c3c(c(=O)oc12)CCCC3 ZINC000002125574 569060515 /nfs/dbraw/zinc/06/05/15/569060515.db2.gz CYJBRSQJRYALHS-UHFFFAOYSA-N 0 0 406.481 7.060 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)cc2oc1=O ZINC000002125637 569286232 /nfs/dbraw/zinc/28/62/32/569286232.db2.gz HPYJUAJOGSKKAS-UHFFFAOYSA-N 0 0 408.494 5.495 50 0 biogenic HKAARN COc1ccc(-c2coc3c2c(C)cc2oc(=O)c(Cc4ccccc4)c(C)c32)cc1 ZINC000002125663 569286216 /nfs/dbraw/zinc/28/62/16/569286216.db2.gz AYGRIXLXRDVWPK-UHFFFAOYSA-N 0 0 410.469 6.422 50 0 biogenic HKAARN Cc1ccc(Cl)cc1N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000002125719 569286251 /nfs/dbraw/zinc/28/62/51/569286251.db2.gz LBXRRWAGISWLTJ-UHFFFAOYSA-N 0 0 417.892 6.087 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(Cl)cc3)CO2)cc1 ZINC000002125863 132248975 /nfs/dbraw/zinc/24/89/75/132248975.db2.gz WDPDYDYJGYGLTB-UHFFFAOYSA-N 0 0 419.864 5.479 50 0 biogenic HKAARN CCc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000002125870 569286220 /nfs/dbraw/zinc/28/62/20/569286220.db2.gz BSAUHSXSNKKVHC-UHFFFAOYSA-N 0 0 413.473 5.388 50 0 biogenic HKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 ZINC000002125976 569286262 /nfs/dbraw/zinc/28/62/62/569286262.db2.gz ILISEOXBDMFBRJ-UHFFFAOYSA-N 0 0 414.299 5.173 50 0 biogenic HKAARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c1OC ZINC000002126035 569003089 /nfs/dbraw/zinc/00/30/89/569003089.db2.gz SISPRYGWTWLVGT-GVFZAWILSA-N 0 0 408.523 5.250 50 0 HKAARN O=c1cc(-c2ccccc2)c2cc3c(cc2o1)occ3-c1ccc(-c2ccccc2)cc1 ZINC000002126276 569060506 /nfs/dbraw/zinc/06/05/06/569060506.db2.gz ZHDSKWHIJAUKPS-UHFFFAOYSA-N 0 0 414.460 7.540 50 0 biogenic HKAARN CCCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc2ccccc2c1 ZINC000002126335 569286261 /nfs/dbraw/zinc/28/62/61/569286261.db2.gz QWGKDFGRRDAEGA-UHFFFAOYSA-N 0 0 410.513 7.791 50 0 biogenic HKAARN CCCc1cc2c(cc1OCc1ccc(OC)cc1)oc(=O)cc2-c1ccccc1 ZINC000002126340 569060505 /nfs/dbraw/zinc/06/05/05/569060505.db2.gz STWXWLWWPPJWPM-UHFFFAOYSA-N 0 0 400.474 6.000 50 0 biogenic HKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(OC)c1)CCC3 ZINC000002126354 569286252 /nfs/dbraw/zinc/28/62/52/569286252.db2.gz HRRVRXAJVQBOMM-UHFFFAOYSA-N 0 0 406.522 5.992 50 0 biogenic HKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000002126360 557316118 /nfs/dbraw/zinc/31/61/18/557316118.db2.gz VHKIHVGWQZKSCM-UHFFFAOYSA-N 0 0 415.990 5.365 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1ccccc1OC)oc(=O)c1c2CCCC1 ZINC000002126463 569286240 /nfs/dbraw/zinc/28/62/40/569286240.db2.gz VGCOYPNKBBFPIA-UHFFFAOYSA-N 0 0 420.549 6.382 50 0 biogenic HKAARN CCCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000002126537 569286195 /nfs/dbraw/zinc/28/61/95/569286195.db2.gz ZNAKFDBNXBQMIR-UHFFFAOYSA-N 0 0 400.474 6.000 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O ZINC000002126558 569286214 /nfs/dbraw/zinc/28/62/14/569286214.db2.gz LDEKARGRBAYKTM-UHFFFAOYSA-N 0 0 422.521 5.803 50 0 biogenic HKAARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(-c3ccc(Cl)cc3)c21 ZINC000002126602 569286223 /nfs/dbraw/zinc/28/62/23/569286223.db2.gz RHAQHVKIKCGALA-UHFFFAOYSA-N 0 0 414.888 7.067 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3cc(OC/C=C(\C)CCC=C(C)C)ccc32)cc1 ZINC000002126616 569286207 /nfs/dbraw/zinc/28/62/07/569286207.db2.gz KBJJUPGWLFOWSW-XMHGGMMESA-N 0 0 404.506 6.540 50 0 biogenic HKAARN Cn1c2ccccc2c2ccc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)cc21 ZINC000002127236 557316213 /nfs/dbraw/zinc/31/62/13/557316213.db2.gz OYNKVBUPJLYCAH-NOBNOQAISA-N 0 0 421.544 5.359 50 0 HKAARN CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2ccccc2)cc1OCC ZINC000002127257 557316198 /nfs/dbraw/zinc/31/61/98/557316198.db2.gz OTICRUNCUWDNIY-HSZRJFAPSA-N 0 0 403.522 5.588 50 0 HKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2)cc1OCC ZINC000002127259 557316129 /nfs/dbraw/zinc/31/61/29/557316129.db2.gz OTICRUNCUWDNIY-QHCPKHFHSA-N 0 0 403.522 5.588 50 0 HKAARN CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2ccccc2F)cc1OCC ZINC000002127261 557316180 /nfs/dbraw/zinc/31/61/80/557316180.db2.gz FZXZQKUQTZCLFS-HSZRJFAPSA-N 0 0 421.512 5.727 50 0 HKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2F)cc1OCC ZINC000002127264 557316242 /nfs/dbraw/zinc/31/62/42/557316242.db2.gz FZXZQKUQTZCLFS-QHCPKHFHSA-N 0 0 421.512 5.727 50 0 HKAARN CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)Cc2ccccc2)cc1OCC ZINC000002127272 557316156 /nfs/dbraw/zinc/31/61/56/557316156.db2.gz XYUBOUUZHHFPFS-XMMPIXPASA-N 0 0 417.549 5.517 50 0 HKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)Cc2ccccc2)cc1OCC ZINC000002127276 557316491 /nfs/dbraw/zinc/31/64/91/557316491.db2.gz XYUBOUUZHHFPFS-DEOSSOPVSA-N 0 0 417.549 5.517 50 0 HKAARN CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)cc1OCC ZINC000002127278 557316502 /nfs/dbraw/zinc/31/65/02/557316502.db2.gz RZARJEDTCYDEOH-JOCHJYFZSA-N 0 0 407.485 5.337 50 0 HKAARN CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccccc2F)cc1OCC ZINC000002127280 557316428 /nfs/dbraw/zinc/31/64/28/557316428.db2.gz RZARJEDTCYDEOH-QFIPXVFZSA-N 0 0 407.485 5.337 50 0 HKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OC/C=C/c3ccccc3)cc2o1 ZINC000002128232 569286274 /nfs/dbraw/zinc/28/62/74/569286274.db2.gz JYNWMVJOMDQCGC-RMKNXTFCSA-N 0 0 422.436 5.659 50 0 biogenic HKAARN O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1C1CCCCC1 ZINC000002128332 557316479 /nfs/dbraw/zinc/31/64/79/557316479.db2.gz RYCQPFUNJIUISS-JCMHNJIXSA-N 0 0 415.562 5.080 50 0 HKAARN CCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 ZINC000002128414 557316403 /nfs/dbraw/zinc/31/64/03/557316403.db2.gz IDBYQPNNIOPAAL-UHFFFAOYSA-N 0 0 421.569 6.942 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000002128540 557316391 /nfs/dbraw/zinc/31/63/91/557316391.db2.gz LEWDKJVSXSTBTB-UHFFFAOYSA-N 0 0 405.498 5.764 50 0 HKAARN Cc1ccccc1COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1C ZINC000002128569 569286383 /nfs/dbraw/zinc/28/63/83/569286383.db2.gz XPZHCZAMLRWACH-UHFFFAOYSA-N 0 0 424.452 5.762 50 0 biogenic HKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1C ZINC000002128589 557316482 /nfs/dbraw/zinc/31/64/82/557316482.db2.gz KMCGQMLWRITRQJ-UHFFFAOYSA-N 0 0 415.562 5.646 50 0 HKAARN CC(C)Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000002128651 557316450 /nfs/dbraw/zinc/31/64/50/557316450.db2.gz JOQVXZPPHNVJBL-UHFFFAOYSA-N 0 0 402.361 5.656 50 0 HKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1C ZINC000002128686 557316439 /nfs/dbraw/zinc/31/64/39/557316439.db2.gz UAKFCLCKYOPIEF-UHFFFAOYSA-N 0 0 419.981 6.421 50 0 HKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1C ZINC000002128715 557316509 /nfs/dbraw/zinc/31/65/09/557316509.db2.gz BDTYITMTNWOCOF-UHFFFAOYSA-N 0 0 403.526 5.906 50 0 HKAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 ZINC000002128734 557316408 /nfs/dbraw/zinc/31/64/08/557316408.db2.gz YQJIVRWGWKERJQ-UHFFFAOYSA-N 0 0 401.535 5.549 50 0 HKAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccc(C)cc3)c2)cc1 ZINC000002129616 568844726 /nfs/dbraw/zinc/84/47/26/568844726.db2.gz VJOUNJOEQRJDTR-UHFFFAOYSA-N 0 0 414.457 5.613 50 0 biogenic HKAARN CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 ZINC000002131081 569287239 /nfs/dbraw/zinc/28/72/39/569287239.db2.gz FVYTTZZSSMMPNF-AXSXGGAZSA-N 0 0 418.581 5.591 50 0 biogenic HKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000002131847 557316712 /nfs/dbraw/zinc/31/67/12/557316712.db2.gz VCCCWDJARWSRMO-UHFFFAOYSA-N 0 0 416.304 6.583 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000002131863 557316696 /nfs/dbraw/zinc/31/66/96/557316696.db2.gz NTSLOHRQJNECNS-UHFFFAOYSA-N 0 0 408.542 5.198 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002131920 557316734 /nfs/dbraw/zinc/31/67/34/557316734.db2.gz BVVQZUQREMZOJT-AWEZNQCLSA-N 0 0 402.277 6.192 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002131923 557316656 /nfs/dbraw/zinc/31/66/56/557316656.db2.gz BVVQZUQREMZOJT-CQSZACIVSA-N 0 0 402.277 6.192 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002131948 557316629 /nfs/dbraw/zinc/31/66/29/557316629.db2.gz UBRFWANVPIVIPK-ZETCQYMHSA-N 0 0 413.515 6.360 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002131950 557316605 /nfs/dbraw/zinc/31/66/05/557316605.db2.gz UBRFWANVPIVIPK-SSDOTTSWSA-N 0 0 413.515 6.360 50 0 HKAARN O=C(Nc1ccc(Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000002131985 557316620 /nfs/dbraw/zinc/31/66/20/557316620.db2.gz POOZYJZMIZMPRM-UHFFFAOYSA-N 0 0 418.581 6.315 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)sc2c1 ZINC000002132041 557316592 /nfs/dbraw/zinc/31/65/92/557316592.db2.gz LPXJJMQDDDPLED-UHFFFAOYSA-N 0 0 424.525 6.442 50 0 HKAARN COc1ccc(COc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 ZINC000002132130 569287276 /nfs/dbraw/zinc/28/72/76/569287276.db2.gz IHVHHEMBJCPIKM-UHFFFAOYSA-N 0 0 418.445 5.065 50 0 biogenic HKAARN O=C(Nc1ccc(Br)c(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000002132150 557316601 /nfs/dbraw/zinc/31/66/01/557316601.db2.gz PZDRLWIDHZNZOD-UHFFFAOYSA-N 0 0 400.703 5.873 50 0 HKAARN O=C(Nc1ccc(Br)c(Cl)c1)c1sc2ccccc2c1Cl ZINC000002132186 557316728 /nfs/dbraw/zinc/31/67/28/557316728.db2.gz RPLNOULUUHEBLP-UHFFFAOYSA-N 0 0 401.112 6.223 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000002132468 557316649 /nfs/dbraw/zinc/31/66/49/557316649.db2.gz WFRSBQJESNGTBX-QMMMGPOBSA-N 0 0 423.521 5.815 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000002132470 557316660 /nfs/dbraw/zinc/31/66/60/557316660.db2.gz WFRSBQJESNGTBX-MRVPVSSYSA-N 0 0 423.521 5.815 50 0 HKAARN O=C(CCCCCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000002133731 557316922 /nfs/dbraw/zinc/31/69/22/557316922.db2.gz BXRNFWILHUVRFM-UHFFFAOYSA-N 0 0 407.341 6.301 50 0 HKAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002134239 557316933 /nfs/dbraw/zinc/31/69/33/557316933.db2.gz NWBSPYVKFIHJNX-UHFFFAOYSA-N 0 0 401.318 5.787 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC/C=C(/C)CCC=C(C)C)ccc23)cc1 ZINC000002134477 569287561 /nfs/dbraw/zinc/28/75/61/569287561.db2.gz SGFOETJOCHRQKB-CYVLTUHYSA-N 0 0 418.533 6.849 50 0 biogenic HKAARN CC(C)=CCC/C(C)=C/COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002134596 569287570 /nfs/dbraw/zinc/28/75/70/569287570.db2.gz STKDKIMOAYXKMF-HMMYKYKNSA-N 0 0 402.534 6.764 50 0 HKAARN O=C(COc1ccc2ccccc2c1Br)Oc1ccc2ccccc2c1 ZINC000002134601 557317007 /nfs/dbraw/zinc/31/70/07/557317007.db2.gz WHDMBGYUQQNPOX-UHFFFAOYSA-N 0 0 407.263 5.740 50 0 HKAARN Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Br ZINC000002134622 557317010 /nfs/dbraw/zinc/31/70/10/557317010.db2.gz HAOBEZYPIRCZJD-UHFFFAOYSA-N 0 0 409.323 6.767 50 0 HKAARN Cc1ccc(C(C)C)c(OC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000002134626 557316985 /nfs/dbraw/zinc/31/69/85/557316985.db2.gz SFGUOCQNGYYXPB-UHFFFAOYSA-N 0 0 413.311 6.019 50 0 HKAARN CC(C)(C)c1ccc(OC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000002134630 557316907 /nfs/dbraw/zinc/31/69/07/557316907.db2.gz SMOBQNJVWHYENO-UHFFFAOYSA-N 0 0 413.311 5.884 50 0 HKAARN O=C(Oc1ccc2ccccc2c1Br)c1sc2ccccc2c1Cl ZINC000002134644 557316999 /nfs/dbraw/zinc/31/69/99/557316999.db2.gz XAEMDOYKPPOVFA-UHFFFAOYSA-N 0 0 417.711 6.690 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Oc1ccc2ccccc2c1Br ZINC000002134646 557316988 /nfs/dbraw/zinc/31/69/88/557316988.db2.gz ZMSZBRRJZAXHPK-UHFFFAOYSA-N 0 0 407.263 5.740 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2ccccc2c1Br ZINC000002134648 557316979 /nfs/dbraw/zinc/31/69/79/557316979.db2.gz ALCYDSLJVFEGCA-UHFFFAOYSA-N 0 0 405.675 5.549 50 0 HKAARN O=C(Oc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1 ZINC000002134652 557316965 /nfs/dbraw/zinc/31/69/65/557316965.db2.gz ZMNRZCPHEHNFNR-UHFFFAOYSA-N 0 0 403.275 6.489 50 0 HKAARN O=C(Oc1ccc(Br)c2ccccc12)C(c1ccccc1)c1ccccc1 ZINC000002134656 557316926 /nfs/dbraw/zinc/31/69/26/557316926.db2.gz ROVJTMLJWIRGPX-UHFFFAOYSA-N 0 0 417.302 6.340 50 0 HKAARN O=C(COc1ccc2ccccc2c1Br)Oc1cccc2ccccc21 ZINC000002134658 557316947 /nfs/dbraw/zinc/31/69/47/557316947.db2.gz NXEDGKDENSQMPE-UHFFFAOYSA-N 0 0 407.263 5.740 50 0 HKAARN Cc1ccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002134704 569287587 /nfs/dbraw/zinc/28/75/87/569287587.db2.gz LDYADHJAFBCMQE-UHFFFAOYSA-N 0 0 423.491 5.803 50 0 biogenic HKAARN O=C(Nc1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000002134745 557317320 /nfs/dbraw/zinc/31/73/20/557317320.db2.gz QBMWQUSTLBUQBN-UHFFFAOYSA-N 0 0 404.554 6.391 50 0 HKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)sc2c1 ZINC000002135215 557317331 /nfs/dbraw/zinc/31/73/31/557317331.db2.gz WHLMLGOVDUJSLS-UHFFFAOYSA-N 0 0 409.894 6.608 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1Br ZINC000002135317 557317248 /nfs/dbraw/zinc/31/72/48/557317248.db2.gz BIYWGFAVIATSGW-UHFFFAOYSA-N 0 0 423.354 6.743 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br ZINC000002135334 557317261 /nfs/dbraw/zinc/31/72/61/557317261.db2.gz ULBCISOTBVSJDX-UHFFFAOYSA-N 0 0 401.131 6.306 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br ZINC000002135337 557317265 /nfs/dbraw/zinc/31/72/65/557317265.db2.gz BPDJPIXYBKAYEE-UHFFFAOYSA-N 0 0 401.131 6.306 50 0 HKAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 ZINC000002135339 557317274 /nfs/dbraw/zinc/31/72/74/557317274.db2.gz VNTKOYZKYKJRGM-UHFFFAOYSA-N 0 0 418.331 5.566 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000002135443 557317304 /nfs/dbraw/zinc/31/73/04/557317304.db2.gz UWYFKMINTMSCBR-UHFFFAOYSA-N 0 0 403.551 5.855 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002135446 557317253 /nfs/dbraw/zinc/31/72/53/557317253.db2.gz VWLPLZIMERYDRE-UHFFFAOYSA-N 0 0 404.535 5.903 50 0 HKAARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000002135623 557317238 /nfs/dbraw/zinc/31/72/38/557317238.db2.gz MJMCHPNXYWLNNO-UHFFFAOYSA-N 0 0 417.317 5.913 50 0 HKAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)N1CCCc2ccccc21 ZINC000002135728 557317328 /nfs/dbraw/zinc/31/73/28/557317328.db2.gz KLGUYFXTBNEHDU-UHFFFAOYSA-N 0 0 423.365 5.006 50 0 HKAARN O=C(NCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002136713 569287600 /nfs/dbraw/zinc/28/76/00/569287600.db2.gz VKHHQHQHOLESIO-UHFFFAOYSA-N 0 0 421.456 5.042 50 0 biogenic HKAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1sc2ccccc2c1Cl ZINC000002136969 557317534 /nfs/dbraw/zinc/31/75/34/557317534.db2.gz RTCKQANBIVSCMI-UHFFFAOYSA-N 0 0 412.942 5.870 50 0 HKAARN O=C(NC1CCCCC1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002136971 557317524 /nfs/dbraw/zinc/31/75/24/557317524.db2.gz PKKUNMWHDZKLOF-UHFFFAOYSA-N 0 0 412.533 5.520 50 0 HKAARN COc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000002137255 557317540 /nfs/dbraw/zinc/31/75/40/557317540.db2.gz BSARNBKGYFQBNA-DNPBVHCKSA-N 0 0 411.457 5.284 50 0 HKAARN COc1cc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000002137258 560584567 /nfs/dbraw/zinc/58/45/67/560584567.db2.gz BSARNBKGYFQBNA-JYBPRETJSA-N 0 0 411.457 5.284 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC)c(Cl)c2)sc2c1CCCC2 ZINC000002137272 569287421 /nfs/dbraw/zinc/28/74/21/569287421.db2.gz FNNIIKZLIGEONM-UHFFFAOYSA-N 0 0 407.919 5.108 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000002137337 557317493 /nfs/dbraw/zinc/31/74/93/557317493.db2.gz UCNXSTKTMIJKGB-UHFFFAOYSA-N 0 0 406.873 5.115 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000002137339 557317572 /nfs/dbraw/zinc/31/75/72/557317572.db2.gz SRZGPHRMRZRMGQ-UHFFFAOYSA-N 0 0 404.901 5.624 50 0 HKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 ZINC000002137502 557317506 /nfs/dbraw/zinc/31/75/06/557317506.db2.gz JSTDCJQVOLSWRR-QFIPXVFZSA-N 0 0 424.957 5.395 50 0 HKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(N(C)C)cc1 ZINC000002137505 557317529 /nfs/dbraw/zinc/31/75/29/557317529.db2.gz JSTDCJQVOLSWRR-JOCHJYFZSA-N 0 0 424.957 5.395 50 0 HKAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(N(C)C)cc1 ZINC000002137507 557317816 /nfs/dbraw/zinc/31/78/16/557317816.db2.gz HDGHQVKUVRDZNZ-DEOSSOPVSA-N 0 0 418.928 5.334 50 0 HKAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(N(C)C)cc1 ZINC000002137509 557317897 /nfs/dbraw/zinc/31/78/97/557317897.db2.gz HDGHQVKUVRDZNZ-XMMPIXPASA-N 0 0 418.928 5.334 50 0 HKAARN COc1ccc(-c2cc3ccc(OC/C=C/c4ccccc4)cc3oc2=O)cc1OC ZINC000002137690 569287422 /nfs/dbraw/zinc/28/74/22/569287422.db2.gz YQVKHQPRVIHVHQ-RMKNXTFCSA-N 0 0 414.457 5.569 50 0 biogenic HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(C)cc1 ZINC000002137785 557317858 /nfs/dbraw/zinc/31/78/58/557317858.db2.gz GIBYQCCPYXZBHY-AREMUKBSSA-N 0 0 408.505 5.713 50 0 HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(C)cc1 ZINC000002137788 557317853 /nfs/dbraw/zinc/31/78/53/557317853.db2.gz GIBYQCCPYXZBHY-SANMLTNESA-N 0 0 408.505 5.713 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002137987 557317877 /nfs/dbraw/zinc/31/78/77/557317877.db2.gz ONNRYYGHVHRWBR-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN O=C(c1ccccc1)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000002138124 557317827 /nfs/dbraw/zinc/31/78/27/557317827.db2.gz NBOGWBIXRYIZMT-UHFFFAOYSA-N 0 0 404.469 6.342 50 0 HKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000002138141 557317893 /nfs/dbraw/zinc/31/78/93/557317893.db2.gz KUPPFNPMATTWFS-AREMUKBSSA-N 0 0 413.521 5.548 50 0 HKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000002138144 557317813 /nfs/dbraw/zinc/31/78/13/557317813.db2.gz KUPPFNPMATTWFS-SANMLTNESA-N 0 0 413.521 5.548 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000002138390 132248940 /nfs/dbraw/zinc/24/89/40/132248940.db2.gz FESDUJXZYKTQRV-WEVVVXLNSA-N 0 0 409.744 6.289 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 ZINC000002138850 557317791 /nfs/dbraw/zinc/31/77/91/557317791.db2.gz YULJTDKHFQZGMG-UHFFFAOYSA-N 0 0 407.857 5.584 50 0 HKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(OC)c(OC)c1 ZINC000002139685 569287721 /nfs/dbraw/zinc/28/77/21/569287721.db2.gz FPUYZPNIHMHRCD-QFIPXVFZSA-N 0 0 421.537 5.566 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(OC)c(OC)c1 ZINC000002139687 569287642 /nfs/dbraw/zinc/28/76/42/569287642.db2.gz FPUYZPNIHMHRCD-JOCHJYFZSA-N 0 0 421.537 5.566 50 0 biogenic HKAARN CC(C)=CCC/C(C)=C/COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002139717 569287724 /nfs/dbraw/zinc/28/77/24/569287724.db2.gz YBYOVABCHBEJMD-CAPFRKAQSA-N 0 0 416.561 7.072 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002140573 569289276 /nfs/dbraw/zinc/28/92/76/569289276.db2.gz RRMLPYQHYWYOQI-UHFFFAOYSA-N 0 0 414.457 5.228 50 0 biogenic HKAARN CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 ZINC000002140844 557318107 /nfs/dbraw/zinc/31/81/07/557318107.db2.gz PSZGKNRFPDSQBA-UHFFFAOYSA-N 0 0 415.411 5.935 50 0 HKAARN CCOC(=O)N[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002141178 569012632 /nfs/dbraw/zinc/01/26/32/569012632.db2.gz HMVHPNQZGISXTR-SECBINFHSA-N 0 0 415.915 5.468 50 0 HKAARN CCOC(=O)N[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002141179 569012637 /nfs/dbraw/zinc/01/26/37/569012637.db2.gz HMVHPNQZGISXTR-VIFPVBQESA-N 0 0 415.915 5.468 50 0 HKAARN COc1ccc(CCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC ZINC000002141249 557318169 /nfs/dbraw/zinc/31/81/69/557318169.db2.gz DGRRUVXWJKISCB-UHFFFAOYSA-N 0 0 416.546 6.149 50 0 HKAARN CCOC(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000002141300 557318161 /nfs/dbraw/zinc/31/81/61/557318161.db2.gz XCDMUMALWRNYRC-UHFFFAOYSA-N 0 0 414.577 5.470 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Oc1cc(Cl)c(Cl)cc1Cl ZINC000002141301 569012667 /nfs/dbraw/zinc/01/26/67/569012667.db2.gz UYYSBTANYOIPSF-UHFFFAOYSA-N 0 0 419.013 6.930 50 0 HKAARN O=C(CSc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000002141303 557318125 /nfs/dbraw/zinc/31/81/25/557318125.db2.gz KKSBUVZIEORUNV-UHFFFAOYSA-N 0 0 402.544 6.208 50 0 HKAARN O=C(CSc1ccccc1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000002141328 557318103 /nfs/dbraw/zinc/31/81/03/557318103.db2.gz UHDDFXGVUACNAM-UHFFFAOYSA-N 0 0 408.592 6.589 50 0 HKAARN CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000002141331 557318167 /nfs/dbraw/zinc/31/81/67/557318167.db2.gz VWBXVVCEWXSIBS-UHFFFAOYSA-N 0 0 420.625 5.851 50 0 HKAARN FC(F)(F)c1cnc(SCc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000002141767 557318130 /nfs/dbraw/zinc/31/81/30/557318130.db2.gz JYKYMQVNPLASLZ-UHFFFAOYSA-N 0 0 406.178 6.718 50 0 HKAARN CCOC(=O)CSCC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002142001 557318177 /nfs/dbraw/zinc/31/81/77/557318177.db2.gz VBSHGBCMYQWDOQ-UHFFFAOYSA-N 0 0 413.322 5.051 50 0 HKAARN O=C(COc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002142003 557318172 /nfs/dbraw/zinc/31/81/72/557318172.db2.gz GUEIAORTBQILJE-UHFFFAOYSA-N 0 0 421.707 6.488 50 0 HKAARN C[C@@H]1S[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000002142025 557318197 /nfs/dbraw/zinc/31/81/97/557318197.db2.gz BOKFRERHQGINMB-MGPLVRAMSA-N 0 0 405.363 5.891 50 0 HKAARN C[C@H]1S[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000002142026 557318117 /nfs/dbraw/zinc/31/81/17/557318117.db2.gz BOKFRERHQGINMB-QLJPJBMISA-N 0 0 405.363 5.891 50 0 HKAARN C[C@@H]1S[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000002142027 557318129 /nfs/dbraw/zinc/31/81/29/557318129.db2.gz BOKFRERHQGINMB-QFYYESIMSA-N 0 0 405.363 5.891 50 0 HKAARN C[C@H]1S[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000002142029 557318379 /nfs/dbraw/zinc/31/83/79/557318379.db2.gz BOKFRERHQGINMB-HWPZZCPQSA-N 0 0 405.363 5.891 50 0 HKAARN Clc1ccc(-c2cc(-c3csc(Nc4ccccc4Cl)n3)on2)c(Cl)c1 ZINC000002142062 557318363 /nfs/dbraw/zinc/31/83/63/557318363.db2.gz NXNFRVAIKWXROJ-UHFFFAOYSA-N 0 0 422.724 7.169 50 0 HKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000002142108 557318450 /nfs/dbraw/zinc/31/84/50/557318450.db2.gz ONEDZRURVATYPI-UHFFFAOYSA-N 0 0 421.736 7.401 50 0 HKAARN O=S(=O)(Oc1ccc(Cl)cc1)c1c(Cl)sc(Cl)c1Br ZINC000002142130 557318375 /nfs/dbraw/zinc/31/83/75/557318375.db2.gz QACPTPHDPGYYPM-UHFFFAOYSA-N 0 0 422.536 5.239 50 0 HKAARN COc1cc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c(OC)cc1Cl ZINC000002142135 557318427 /nfs/dbraw/zinc/31/84/27/557318427.db2.gz SDJISZDKZJBTNV-UHFFFAOYSA-N 0 0 407.253 5.226 50 0 HKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccccc1C(F)(F)F ZINC000002142473 569012648 /nfs/dbraw/zinc/01/26/48/569012648.db2.gz JNKYZALUKXGGKH-UHFFFAOYSA-N 0 0 408.601 6.041 50 0 HKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002142476 569012676 /nfs/dbraw/zinc/01/26/76/569012676.db2.gz UGFKIOYHQOAMLF-UHFFFAOYSA-N 0 0 408.601 6.041 50 0 HKAARN O=C(NCCSCc1csc2ccc(Cl)cc12)Nc1ccc(Cl)cc1 ZINC000002142548 557318417 /nfs/dbraw/zinc/31/84/17/557318417.db2.gz YHPAPUAXZYXDCA-UHFFFAOYSA-N 0 0 411.379 6.263 50 0 HKAARN O=C(OCc1ccccc1)c1cnc(Sc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000002142927 557318433 /nfs/dbraw/zinc/31/84/33/557318433.db2.gz KGLGSVVSPKSOKL-UHFFFAOYSA-N 0 0 424.831 5.657 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 ZINC000002143125 557318406 /nfs/dbraw/zinc/31/84/06/557318406.db2.gz YHFKGORAKLCNJK-UHFFFAOYSA-N 0 0 400.569 5.227 50 0 HKAARN COc1ccc(-n2c(SCCc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 ZINC000002143143 557318429 /nfs/dbraw/zinc/31/84/29/557318429.db2.gz BFMVOMMGSSKTRO-UHFFFAOYSA-N 0 0 422.575 5.407 50 0 HKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1cc(Cl)ccc1Cl ZINC000002143193 569012645 /nfs/dbraw/zinc/01/26/45/569012645.db2.gz DFOXCDCVAVJQIU-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN Cc1sc2nc(SCc3cccc(F)c3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000002143230 557318386 /nfs/dbraw/zinc/31/83/86/557318386.db2.gz LIMZEFRKGZYXHX-UHFFFAOYSA-N 0 0 424.566 6.112 50 0 HKAARN Cc1sc2nc(SCCc3ccccc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000002143234 557318352 /nfs/dbraw/zinc/31/83/52/557318352.db2.gz KIUBLRCODFHDMX-UHFFFAOYSA-N 0 0 420.603 6.016 50 0 HKAARN Cc1sc2nc(SCc3ccccc3F)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000002143333 557318323 /nfs/dbraw/zinc/31/83/23/557318323.db2.gz ZOMLESYGAMIXJK-UHFFFAOYSA-N 0 0 410.539 5.804 50 0 HKAARN Cc1sc2nc(SCCc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000002143336 557318357 /nfs/dbraw/zinc/31/83/57/557318357.db2.gz OSUFVERQTIGQRH-UHFFFAOYSA-N 0 0 406.576 5.707 50 0 HKAARN COCc1cc(C(C)(C)C)c(OC(=O)Nc2ccc3ccccc3c2)c(C(C)(C)C)c1 ZINC000002143429 569012641 /nfs/dbraw/zinc/01/26/41/569012641.db2.gz WXWSSFAYRXTAMD-UHFFFAOYSA-N 0 0 419.565 7.192 50 0 HKAARN Cc1cc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(F)(F)F)cc(C)c1Cl ZINC000002143719 557318411 /nfs/dbraw/zinc/31/84/11/557318411.db2.gz FYMBDKWVESMMNS-UHFFFAOYSA-N 0 0 411.729 6.269 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002143944 569289419 /nfs/dbraw/zinc/28/94/19/569289419.db2.gz ULGRQRBMPZLIDA-UHFFFAOYSA-N 0 0 413.770 6.108 50 0 HKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000002143971 557318755 /nfs/dbraw/zinc/31/87/55/557318755.db2.gz XAMKBBSXZMPZLG-UHFFFAOYSA-N 0 0 410.244 5.764 50 0 HKAARN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002143977 557318680 /nfs/dbraw/zinc/31/86/80/557318680.db2.gz JHOQWSBEAXKADD-UHFFFAOYSA-N 0 0 410.244 5.764 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)COc1ccccc1-c1ccccc1 ZINC000002144345 557318766 /nfs/dbraw/zinc/31/87/66/557318766.db2.gz DHENITWNLWNRFL-UHFFFAOYSA-N 0 0 410.311 5.750 50 0 HKAARN CCCC[C@@H](CC)Cn1c2ccccc2nc1-c1nonc1NC(=O)c1ccccc1 ZINC000002144437 557318691 /nfs/dbraw/zinc/31/86/91/557318691.db2.gz OCLHNHBQVMLUMY-QGZVFWFLSA-N 0 0 417.513 5.555 50 0 HKAARN CCCC[C@H](CC)Cn1c2ccccc2nc1-c1nonc1NC(=O)c1ccccc1 ZINC000002144442 557318731 /nfs/dbraw/zinc/31/87/31/557318731.db2.gz OCLHNHBQVMLUMY-KRWDZBQOSA-N 0 0 417.513 5.555 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000002144605 557318742 /nfs/dbraw/zinc/31/87/42/557318742.db2.gz WWEUTIUPCATELB-UHFFFAOYSA-N 0 0 416.359 6.131 50 0 HKAARN CN(C)C(=O)Oc1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)c1-c1ccccc1 ZINC000002144888 557318752 /nfs/dbraw/zinc/31/87/52/557318752.db2.gz ZHPZLTLPKALWBG-UHFFFAOYSA-N 0 0 424.500 5.291 50 0 HKAARN Cc1cc2c(o1)-c1c3cc(Br)ccc3oc1CC[C@@]2(C)c1ccccc1 ZINC000002144996 557318776 /nfs/dbraw/zinc/31/87/76/557318776.db2.gz BUAAQHLVLQKLNS-QHCPKHFHSA-N 0 0 407.307 7.016 50 0 HKAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002145041 557318758 /nfs/dbraw/zinc/31/87/58/557318758.db2.gz YOEGEWVEWJPEAM-MRXNPFEDSA-N 0 0 404.535 5.700 50 0 HKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002145044 557318661 /nfs/dbraw/zinc/31/86/61/557318661.db2.gz YOEGEWVEWJPEAM-INIZCTEOSA-N 0 0 404.535 5.700 50 0 HKAARN Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1-c1nc2ccccc2o1 ZINC000002145066 557318696 /nfs/dbraw/zinc/31/86/96/557318696.db2.gz LBRRMFMADVBGAU-UHFFFAOYSA-N 0 0 418.496 6.574 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)oc2c(C)c1 ZINC000002145151 560730396 /nfs/dbraw/zinc/73/03/96/560730396.db2.gz ADZAXCBNPZRBNI-UHFFFAOYSA-N 0 0 422.937 6.496 50 0 HKAARN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000002145264 557318772 /nfs/dbraw/zinc/31/87/72/557318772.db2.gz HADUWPVDNBNDJM-UHFFFAOYSA-N 0 0 416.546 5.419 50 0 HKAARN CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000002145266 557318769 /nfs/dbraw/zinc/31/87/69/557318769.db2.gz FWJOTEPOMAGPBD-UHFFFAOYSA-N 0 0 416.546 5.273 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c(Cl)c1 ZINC000002145272 132248977 /nfs/dbraw/zinc/24/89/77/132248977.db2.gz GSFFSRPLXMCXPD-UHFFFAOYSA-N 0 0 422.381 5.419 50 0 HKAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2oc1=O ZINC000002145358 569289512 /nfs/dbraw/zinc/28/95/12/569289512.db2.gz OJTWCSPDHMSNMF-UHFFFAOYSA-N 0 0 412.485 5.901 50 0 biogenic HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000002145474 557318707 /nfs/dbraw/zinc/31/87/07/557318707.db2.gz XLTFLLYUHJHZIR-UHFFFAOYSA-N 0 0 400.853 5.609 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000002145520 557319022 /nfs/dbraw/zinc/31/90/22/557319022.db2.gz JPGPAMWYYRYUJY-UHFFFAOYSA-N 0 0 417.745 5.561 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000002145525 557318980 /nfs/dbraw/zinc/31/89/80/557318980.db2.gz NKDLWMDNGOCNFP-UHFFFAOYSA-N 0 0 415.773 6.071 50 0 HKAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002145528 557318976 /nfs/dbraw/zinc/31/89/76/557318976.db2.gz NDHWCJCDHTWGOE-UHFFFAOYSA-N 0 0 408.137 5.356 50 0 HKAARN CCCCCCc1c(C)c2ccc(OC(=O)c3cccc(OC)c3)c(C)c2oc1=O ZINC000002145577 569289500 /nfs/dbraw/zinc/28/95/00/569289500.db2.gz MMQYPAUIOBXGJO-UHFFFAOYSA-N 0 0 408.494 5.760 50 0 biogenic HKAARN CC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000002145621 557319056 /nfs/dbraw/zinc/31/90/56/557319056.db2.gz CMRITWWCQOPGMW-UHFFFAOYSA-N 0 0 415.320 6.143 50 0 HKAARN Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000002145660 559274941 /nfs/dbraw/zinc/27/49/41/559274941.db2.gz PAZICGQKDJSIES-UHFFFAOYSA-N 0 0 410.703 6.977 50 0 HKAARN COc1cccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1 ZINC000002145691 569289702 /nfs/dbraw/zinc/28/97/02/569289702.db2.gz STLBLJVOPDVDMF-UHFFFAOYSA-N 0 0 414.457 5.228 50 0 biogenic HKAARN O=C(Oc1cc(Cl)c(Cl)cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000002145746 557318953 /nfs/dbraw/zinc/31/89/53/557318953.db2.gz JEUZGWLEQMLGRS-UHFFFAOYSA-N 0 0 405.664 6.490 50 0 HKAARN CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 ZINC000002146047 569289611 /nfs/dbraw/zinc/28/96/11/569289611.db2.gz LNOMTSQDNZRXRX-UHFFFAOYSA-N 0 0 411.295 6.620 50 0 biogenic HKAARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=O)Nc3ccccc3)CCC[C@]21C ZINC000002146131 569289653 /nfs/dbraw/zinc/28/96/53/569289653.db2.gz YZEYNPFQLPXVOR-ZRJLEYOISA-N 0 0 404.598 6.642 50 0 biogenic HKAARN Cc1ccc([C@@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000002146143 569289658 /nfs/dbraw/zinc/28/96/58/569289658.db2.gz FMJXDKAJJFRTMH-LADGPHEKSA-N 0 0 409.570 5.378 50 0 biogenic HKAARN Cc1ccc([C@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000002146145 569289633 /nfs/dbraw/zinc/28/96/33/569289633.db2.gz FMJXDKAJJFRTMH-UPVQGACJSA-N 0 0 409.570 5.378 50 0 biogenic HKAARN Cc1ccc([C@@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000002146149 569289714 /nfs/dbraw/zinc/28/97/14/569289714.db2.gz FMJXDKAJJFRTMH-ISKFKSNPSA-N 0 0 409.570 5.378 50 0 biogenic HKAARN Cc1ccc([C@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 ZINC000002146151 569289677 /nfs/dbraw/zinc/28/96/77/569289677.db2.gz FMJXDKAJJFRTMH-VWNXMTODSA-N 0 0 409.570 5.378 50 0 biogenic HKAARN Cc1c(C(=O)c2cccc(C(F)(F)F)c2)sc2nc(-c3ccccc3)nc(C)c12 ZINC000002146171 557319023 /nfs/dbraw/zinc/31/90/23/557319023.db2.gz WVZNFJZWDVMURQ-UHFFFAOYSA-N 0 0 412.436 6.225 50 0 HKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)c(C)c3)c2)cc1 ZINC000002146200 569289719 /nfs/dbraw/zinc/28/97/19/569289719.db2.gz KAFAXJWCYNQARK-ZZIIXHQDSA-N 0 0 413.517 6.583 50 0 biogenic HKAARN O=C(c1ccccc1)c1c(-c2ccccc2)cc(-c2ccccc2)c2c1C(=O)CCC2 ZINC000002146244 557319016 /nfs/dbraw/zinc/31/90/16/557319016.db2.gz NFWVBSBJMKUMHV-UHFFFAOYSA-N 0 0 402.493 6.771 50 0 HKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cc(C)cc(C)c3)c2)cc1 ZINC000002146283 569289721 /nfs/dbraw/zinc/28/97/21/569289721.db2.gz UYBKXFPJFRLELS-ZZIIXHQDSA-N 0 0 413.517 6.583 50 0 biogenic HKAARN COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OC)c3c(C)oc(C)c32)cc1 ZINC000002146539 569289674 /nfs/dbraw/zinc/28/96/74/569289674.db2.gz PHJWZGPQDDWLFI-SLEBQGDGSA-N 0 0 415.489 5.975 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)c(C)c2oc1=O ZINC000002146548 569289669 /nfs/dbraw/zinc/28/96/69/569289669.db2.gz PRXWHGLUXXHWLB-UHFFFAOYSA-N 0 0 422.521 5.803 50 0 biogenic HKAARN COc1cccc(-c2coc3c2cc2c(C)c(Cc4ccccc4)c(=O)oc2c3C)c1 ZINC000002146562 569289648 /nfs/dbraw/zinc/28/96/48/569289648.db2.gz VKNSAKKMBZRJIS-UHFFFAOYSA-N 0 0 410.469 6.422 50 0 biogenic HKAARN COc1cccc(-c2coc3c2c(C)cc2oc(=O)c(Cc4ccccc4)c(C)c32)c1 ZINC000002146579 569289711 /nfs/dbraw/zinc/28/97/11/569289711.db2.gz NMUQRPSYJHVEOQ-UHFFFAOYSA-N 0 0 410.469 6.422 50 0 biogenic HKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3C)c2)cc1 ZINC000002146585 569289696 /nfs/dbraw/zinc/28/96/96/569289696.db2.gz QOGFQGUVVAJCAA-ZZIIXHQDSA-N 0 0 413.517 6.583 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)cc2oc1=O ZINC000002146713 569289796 /nfs/dbraw/zinc/28/97/96/569289796.db2.gz VCAQLIKFPHQPGB-UHFFFAOYSA-N 0 0 408.494 5.495 50 0 biogenic HKAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc43)c12 ZINC000002146742 569289734 /nfs/dbraw/zinc/28/97/34/569289734.db2.gz ZLXVCWDSTTVHCH-UHFFFAOYSA-N 0 0 417.505 5.506 50 0 biogenic HKAARN CCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002146967 569289757 /nfs/dbraw/zinc/28/97/57/569289757.db2.gz UDKGSSSJEQNXMU-UHFFFAOYSA-N 0 0 403.478 5.598 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccc(C)c4C)c(C)c3cc2c1C ZINC000002147033 569289743 /nfs/dbraw/zinc/28/97/43/569289743.db2.gz PIYYVWRGQMBKDS-UHFFFAOYSA-N 0 0 403.478 5.653 50 0 biogenic HKAARN Cc1c(C(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)c2ccccc2n1C ZINC000002147262 569289751 /nfs/dbraw/zinc/28/97/51/569289751.db2.gz WKJSEKKLCQGETN-UHFFFAOYSA-N 0 0 415.489 5.042 50 0 biogenic HKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002147327 569288258 /nfs/dbraw/zinc/28/82/58/569288258.db2.gz WTJTVMFNUPKMAW-UHFFFAOYSA-N 0 0 418.802 6.234 50 0 HKAARN COc1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000002147345 569289737 /nfs/dbraw/zinc/28/97/37/569289737.db2.gz REGFPOMGCNFGNL-UHFFFAOYSA-N 0 0 405.450 5.044 50 0 biogenic HKAARN FC(F)(F)c1cccc(NCc2ccc(CNc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000002147364 569012658 /nfs/dbraw/zinc/01/26/58/569012658.db2.gz ZWOQEAXADLBUFD-UHFFFAOYSA-N 0 0 424.388 6.948 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002147941 569289885 /nfs/dbraw/zinc/28/98/85/569289885.db2.gz NBKMHZMXYSSSKG-UHFFFAOYSA-N 0 0 406.721 7.090 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C ZINC000002147943 569289877 /nfs/dbraw/zinc/28/98/77/569289877.db2.gz QSQVCUTYMRAPRR-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 biogenic HKAARN Cc1c2cc(Cl)ccc2sc1C(=O)COC(=O)c1ccc(Cl)cc1Cl ZINC000002148128 557319293 /nfs/dbraw/zinc/31/92/93/557319293.db2.gz UVZSRIUENWKIMN-UHFFFAOYSA-N 0 0 413.709 6.210 50 0 HKAARN Clc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 ZINC000002148166 557319361 /nfs/dbraw/zinc/31/93/61/557319361.db2.gz VEUWZYOUTVYCGB-UHFFFAOYSA-N 0 0 405.997 6.521 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)c(C)c2oc1=O ZINC000002148638 569289870 /nfs/dbraw/zinc/28/98/70/569289870.db2.gz CXWPSARVMFMNGN-UHFFFAOYSA-N 0 0 422.521 5.246 50 0 biogenic HKAARN O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002148658 557319267 /nfs/dbraw/zinc/31/92/67/557319267.db2.gz CWEZGURFZHADHC-IBGZPJMESA-N 0 0 421.871 6.208 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002148660 557319369 /nfs/dbraw/zinc/31/93/69/557319369.db2.gz CWEZGURFZHADHC-LJQANCHMSA-N 0 0 421.871 6.208 50 0 HKAARN O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002148731 557319394 /nfs/dbraw/zinc/31/93/94/557319394.db2.gz QDWCNMXSRCJRRM-UHFFFAOYSA-N 0 0 407.365 5.240 50 0 HKAARN O=C(c1nc(SCc2c(Cl)cccc2Cl)n2ccccc12)C(F)(F)F ZINC000002148743 557319354 /nfs/dbraw/zinc/31/93/54/557319354.db2.gz PXBJKEKLWSKTKZ-UHFFFAOYSA-N 0 0 405.228 5.678 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 ZINC000002148770 557319350 /nfs/dbraw/zinc/31/93/50/557319350.db2.gz BTQHYWXMDVKDJF-UHFFFAOYSA-N 0 0 417.531 5.401 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000002148771 569289838 /nfs/dbraw/zinc/28/98/38/569289838.db2.gz LLZXADHHRKRGDD-UHFFFAOYSA-N 0 0 423.827 5.270 50 0 biogenic HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C(C)C)cc4)c(C)c3cc12 ZINC000002148776 569289843 /nfs/dbraw/zinc/28/98/43/569289843.db2.gz VCSUTJDSMPTBLI-UHFFFAOYSA-N 0 0 403.478 5.851 50 0 biogenic HKAARN CCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000002148883 569289851 /nfs/dbraw/zinc/28/98/51/569289851.db2.gz LZNCBLXFSFAPGP-UHFFFAOYSA-N 0 0 405.450 5.126 50 0 biogenic HKAARN CCc1ccccc1NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000002148960 569289867 /nfs/dbraw/zinc/28/98/67/569289867.db2.gz XOCOWGGFCKSJTD-UHFFFAOYSA-N 0 0 403.478 5.598 50 0 biogenic HKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1ccccc1F ZINC000002149075 557319399 /nfs/dbraw/zinc/31/93/99/557319399.db2.gz YMFZWUIXUSKPIZ-UHFFFAOYSA-N 0 0 411.502 5.556 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O ZINC000002149278 569289840 /nfs/dbraw/zinc/28/98/40/569289840.db2.gz CYPWFMAWACXMQH-UHFFFAOYSA-N 0 0 421.276 5.011 50 0 biogenic HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl ZINC000002149404 559274921 /nfs/dbraw/zinc/27/49/21/559274921.db2.gz GKCQPDOUHMAHFX-UHFFFAOYSA-N 0 0 419.906 7.218 50 0 HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(Cl)c4)c(C)c3cc12 ZINC000002149879 569289971 /nfs/dbraw/zinc/28/99/71/569289971.db2.gz KRWFUFUQBBUVMG-UHFFFAOYSA-N 0 0 409.869 5.689 50 0 biogenic HKAARN Cc1c2cc(Cl)ccc2sc1-c1ccnc(SCc2ccc(F)cc2)n1 ZINC000002150058 557319618 /nfs/dbraw/zinc/31/96/18/557319618.db2.gz CHCZNEHFBGMUOA-UHFFFAOYSA-N 0 0 400.931 6.752 50 0 HKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc43)ccc12 ZINC000002150064 569289926 /nfs/dbraw/zinc/28/99/26/569289926.db2.gz IOZIGWQBDBLDJY-UHFFFAOYSA-N 0 0 403.478 5.197 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C(C)C)cc4)c(C)c3cc2c1C ZINC000002150077 569289892 /nfs/dbraw/zinc/28/98/92/569289892.db2.gz PBEDDWGPWGFDEE-UHFFFAOYSA-N 0 0 417.505 6.159 50 0 biogenic HKAARN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C(C)(C)C)cc2Br)cc1 ZINC000002150171 560730399 /nfs/dbraw/zinc/73/03/99/560730399.db2.gz AZGDZTTYPUKKCJ-UHFFFAOYSA-N 0 0 417.752 5.476 50 0 HKAARN Clc1ccc(Sc2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1 ZINC000002150308 557319647 /nfs/dbraw/zinc/31/96/47/557319647.db2.gz CDNFBRJFVITPFU-UHFFFAOYSA-N 0 0 415.370 7.239 50 0 HKAARN CC(C)c1ccc2oc(C(=O)c3ccccc3)c(-c3cnn(-c4ccccc4)c3)c2c1 ZINC000002150436 557319654 /nfs/dbraw/zinc/31/96/54/557319654.db2.gz XUMIVTGVJHFNFE-UHFFFAOYSA-N 0 0 406.485 6.640 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccc(C(C)C)cc3c2-c2cnn(-c3ccccc3)c2)cc1 ZINC000002150440 557319636 /nfs/dbraw/zinc/31/96/36/557319636.db2.gz GVCJCXNPHCXFEG-UHFFFAOYSA-N 0 0 420.512 6.948 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc(C)cc4)c(C)c3cc2c1C ZINC000002150500 569290031 /nfs/dbraw/zinc/29/00/31/569290031.db2.gz QPLDQQXEQYNQDG-UHFFFAOYSA-N 0 0 403.478 5.022 50 0 biogenic HKAARN Cc1cccc2cc(-c3nnc4c(Cl)nc5ccc(Cl)cc5n43)c(Cl)nc12 ZINC000002150564 557319639 /nfs/dbraw/zinc/31/96/39/557319639.db2.gz BGONVIHDDCQZIB-UHFFFAOYSA-N 0 0 414.683 5.761 50 0 HKAARN Cc1ccc2oc(C(=O)c3ccccc3)c(-c3ccc4c(n3)-c3ccccc3OC4)c2c1 ZINC000002150583 557319606 /nfs/dbraw/zinc/31/96/06/557319606.db2.gz USTAWIMPGQLQRY-UHFFFAOYSA-N 0 0 417.464 6.594 50 0 HKAARN Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 ZINC000002150661 569290066 /nfs/dbraw/zinc/29/00/66/569290066.db2.gz BBIPYVNWICMHDK-UHFFFAOYSA-N 0 0 420.508 7.451 50 0 biogenic HKAARN CCCCCCc1cc2c(cc1OCC(=O)C(C)(C)C)oc(=O)cc2-c1ccccc1 ZINC000002150781 569290050 /nfs/dbraw/zinc/29/00/50/569290050.db2.gz WIVYFQCTFZTIBY-UHFFFAOYSA-N 0 0 420.549 6.577 50 0 biogenic HKAARN CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2c1 ZINC000002150934 557319623 /nfs/dbraw/zinc/31/96/23/557319623.db2.gz OSRHSFPNFSABGI-UHFFFAOYSA-N 0 0 417.555 6.241 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc2c(c1)Cc1ccccc1-2)CCCCC3 ZINC000002151012 557319560 /nfs/dbraw/zinc/31/95/60/557319560.db2.gz GFZNWHIITOHWRQ-UHFFFAOYSA-N 0 0 410.542 5.950 50 0 HKAARN CC(C)n1c2ccc(C(F)(F)F)cc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000002151187 557319590 /nfs/dbraw/zinc/31/95/90/557319590.db2.gz DXKVHXDPVWOPGK-UHFFFAOYSA-N 0 0 412.864 6.264 50 0 HKAARN O=C(NC(=S)Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000002151199 557319629 /nfs/dbraw/zinc/31/96/29/557319629.db2.gz RERCCHREVRBWMM-UHFFFAOYSA-N 0 0 417.317 5.913 50 0 HKAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002151397 557319632 /nfs/dbraw/zinc/31/96/32/557319632.db2.gz CFHFLQVLXYTQFD-UHFFFAOYSA-N 0 0 414.888 7.067 50 0 biogenic HKAARN COC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c(SC)s1 ZINC000002151481 557319596 /nfs/dbraw/zinc/31/95/96/557319596.db2.gz GRUCYNKAMRFYBY-UHFFFAOYSA-N 0 0 416.376 6.354 50 0 HKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002151570 557319600 /nfs/dbraw/zinc/31/96/00/557319600.db2.gz HEILJWDPTQEHJA-UHFFFAOYSA-N 0 0 406.510 6.444 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(-c2ccccc2)cc1)CCCCCC3 ZINC000002151594 557319609 /nfs/dbraw/zinc/31/96/09/557319609.db2.gz XSLGDOQAJHFAJH-UHFFFAOYSA-N 0 0 412.558 6.436 50 0 HKAARN Cc1nc2sc(C(=O)N3c4ccccc4Sc4ccccc43)c(N)c2c(C)c1C ZINC000002151744 132248982 /nfs/dbraw/zinc/24/89/82/132248982.db2.gz QVCMISSMLDBHAN-UHFFFAOYSA-N 0 0 417.559 6.247 50 0 HKAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc43)ccc12 ZINC000002151757 569290056 /nfs/dbraw/zinc/29/00/56/569290056.db2.gz RPRXLKDTFJVTCB-UHFFFAOYSA-N 0 0 417.505 5.506 50 0 biogenic HKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Br)cc1)CCCCCC3 ZINC000002151821 557319627 /nfs/dbraw/zinc/31/96/27/557319627.db2.gz ZRBDVDONPGOVGA-UHFFFAOYSA-N 0 0 415.356 5.531 50 0 HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc12 ZINC000002151881 569290127 /nfs/dbraw/zinc/29/01/27/569290127.db2.gz XJXUQCAZMFMUIH-KRWDZBQOSA-N 0 0 417.505 5.226 50 0 biogenic HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc12 ZINC000002151883 569290135 /nfs/dbraw/zinc/29/01/35/569290135.db2.gz XJXUQCAZMFMUIH-QGZVFWFLSA-N 0 0 417.505 5.226 50 0 biogenic HKAARN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000002151901 557319651 /nfs/dbraw/zinc/31/96/51/557319651.db2.gz CJPDSEGVNHJAEE-UHFFFAOYSA-N 0 0 416.148 5.961 50 0 HKAARN Cc1csc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1Cl ZINC000002152035 557319568 /nfs/dbraw/zinc/31/95/68/557319568.db2.gz CFGSAKCTSUNYNS-UHFFFAOYSA-N 0 0 412.742 6.465 50 0 HKAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000002152135 569290130 /nfs/dbraw/zinc/29/01/30/569290130.db2.gz OVXMLUFWROWUBE-UHFFFAOYSA-N 0 0 422.521 5.474 50 0 biogenic HKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1OC ZINC000002152359 569290116 /nfs/dbraw/zinc/29/01/16/569290116.db2.gz CEYBRJQGFFSCNP-UHFFFAOYSA-N 0 0 416.473 5.673 50 0 HKAARN COc1ccc(Oc2coc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 ZINC000002152361 568845668 /nfs/dbraw/zinc/84/56/68/568845668.db2.gz YSXDCZXXGCLHRZ-UHFFFAOYSA-N 0 0 404.418 5.182 50 0 biogenic HKAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)c1 ZINC000002152734 569290108 /nfs/dbraw/zinc/29/01/08/569290108.db2.gz LGUNDKIDZSDIJC-ZCYQVOJMSA-N 0 0 421.500 5.268 50 0 biogenic HKAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)c1 ZINC000002152735 569290110 /nfs/dbraw/zinc/29/01/10/569290110.db2.gz LGUNDKIDZSDIJC-UKILVPOCSA-N 0 0 421.500 5.268 50 0 biogenic HKAARN COc1ccc(-c2cc(-c3ccc4ccccc4c3)n(C)c2-c2ccc(F)cc2)cc1 ZINC000002152770 557319953 /nfs/dbraw/zinc/31/99/53/557319953.db2.gz XORRBUFBLJJCOI-UHFFFAOYSA-N 0 0 407.488 7.327 50 0 HKAARN Cc1cc(-c2nn(C)c(=O)c3ccccc32)cc(C)c1OC(=O)c1ccc(Cl)cc1 ZINC000002152862 557319873 /nfs/dbraw/zinc/31/98/73/557319873.db2.gz PVVPLAIXJVGYSE-UHFFFAOYSA-N 0 0 418.880 5.090 50 0 HKAARN O=C(Sc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000002153071 557319916 /nfs/dbraw/zinc/31/99/16/557319916.db2.gz WIBLFHPVEBMXFE-UHFFFAOYSA-N 0 0 417.239 6.130 50 0 HKAARN CCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)[C@@H]1c1ccc(Cl)c(C)c1 ZINC000002153120 557319853 /nfs/dbraw/zinc/31/98/53/557319853.db2.gz JBVUCLQBWPOPBG-HNNXBMFYSA-N 0 0 420.966 5.107 50 0 HKAARN CCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)[C@H]1c1ccc(Cl)c(C)c1 ZINC000002153122 557319936 /nfs/dbraw/zinc/31/99/36/557319936.db2.gz JBVUCLQBWPOPBG-OAHLLOKOSA-N 0 0 420.966 5.107 50 0 HKAARN Cn1c(CSc2cccs2)nnc1SCc1c(Cl)cccc1Cl ZINC000002153140 557319900 /nfs/dbraw/zinc/31/99/00/557319900.db2.gz LSQSXFQUTPSZOE-UHFFFAOYSA-N 0 0 402.397 5.768 50 0 HKAARN O=C(CSc1ssc(=S)c1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000002153188 557319946 /nfs/dbraw/zinc/31/99/46/557319946.db2.gz OXQPBPQWHUYHAN-UHFFFAOYSA-N 0 0 410.010 6.590 50 0 HKAARN CSc1scc2c1-c1nc(SCc3cccc(C(F)(F)F)c3)ncc1CC2 ZINC000002153464 557319927 /nfs/dbraw/zinc/31/99/27/557319927.db2.gz SVOICWSMVGGVKM-UHFFFAOYSA-N 0 0 424.538 6.337 50 0 HKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(Oc2ccc(OC)cc2)c3=O)cc1 ZINC000002153826 569290115 /nfs/dbraw/zinc/29/01/15/569290115.db2.gz UTPIQBFDOLMVON-UHFFFAOYSA-N 0 0 414.457 6.124 50 0 HKAARN CCOC(=O)C1=C(N)Oc2c3ccccc3c(Cl)cc2[C@H]1c1ccc(Cl)cc1 ZINC000002154073 557319922 /nfs/dbraw/zinc/31/99/22/557319922.db2.gz HIZMAYWNQKGFSZ-GOSISDBHSA-N 0 0 414.288 5.404 50 0 HKAARN CCOC(=O)C1=C(N)Oc2c3ccccc3c(Cl)cc2[C@@H]1c1ccc(Cl)cc1 ZINC000002154076 557320171 /nfs/dbraw/zinc/32/01/71/557320171.db2.gz HIZMAYWNQKGFSZ-SFHVURJKSA-N 0 0 414.288 5.404 50 0 HKAARN FC(F)(F)c1ccc2c(c1)nc(SCc1ccccc1)n2CCc1ccccc1 ZINC000002154247 557320138 /nfs/dbraw/zinc/32/01/38/557320138.db2.gz CEJBTHKJTUSYFP-UHFFFAOYSA-N 0 0 412.480 6.590 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000002154372 557320059 /nfs/dbraw/zinc/32/00/59/557320059.db2.gz YHUOBMXRDLQVOH-UHFFFAOYSA-N 0 0 415.358 6.705 50 0 HKAARN O=C(Oc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000002154375 557320186 /nfs/dbraw/zinc/32/01/86/557320186.db2.gz XPNXPTIDGUHKLR-UHFFFAOYSA-N 0 0 417.235 6.960 50 0 HKAARN O=C(Oc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000002154381 557320163 /nfs/dbraw/zinc/32/01/63/557320163.db2.gz SMMLNOIVCHPYEP-UHFFFAOYSA-N 0 0 416.342 6.672 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000002154452 557320179 /nfs/dbraw/zinc/32/01/79/557320179.db2.gz ZRWUMYAOZWGSNS-UHFFFAOYSA-N 0 0 416.251 6.993 50 0 HKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2ccc(OC)cc2)c3=O)cc1 ZINC000002154575 569290224 /nfs/dbraw/zinc/29/02/24/569290224.db2.gz HAIYDEZYRJFMAH-UHFFFAOYSA-N 0 0 400.430 5.816 50 0 biogenic HKAARN COc1ccccc1-c1c(C)oc2cc(OCc3cc(C)ccc3C)ccc2c1=O ZINC000002155009 569290242 /nfs/dbraw/zinc/29/02/42/569290242.db2.gz KNFSAFXEUGNSDG-UHFFFAOYSA-N 0 0 400.474 5.973 50 0 HKAARN O=C(Oc1cc(Cl)cc(Cl)c1)c1cscc1Sc1ccc(Cl)cc1 ZINC000002155624 557320049 /nfs/dbraw/zinc/32/00/49/557320049.db2.gz UYCQNIYJNFLRHY-UHFFFAOYSA-N 0 0 415.750 7.079 50 0 HKAARN CC(=O)[C@H]1C=CN(C(C)=O)C=C1C(C)(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000002155702 569012633 /nfs/dbraw/zinc/01/26/33/569012633.db2.gz XEYPGIJQQNAGKY-LJQANCHMSA-N 0 0 423.516 5.420 50 0 HKAARN CC(=O)[C@@H]1C=CN(C(C)=O)C=C1C(C)(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000002155705 569012654 /nfs/dbraw/zinc/01/26/54/569012654.db2.gz XEYPGIJQQNAGKY-IBGZPJMESA-N 0 0 423.516 5.420 50 0 HKAARN CC(=O)[C@H]1C=CN(C(C)=O)C=C1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000002155707 569012653 /nfs/dbraw/zinc/01/26/53/569012653.db2.gz KHUZLGKERRINGK-GOSISDBHSA-N 0 0 409.489 5.246 50 0 HKAARN CC(=O)[C@@H]1C=CN(C(C)=O)C=C1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000002155710 569012657 /nfs/dbraw/zinc/01/26/57/569012657.db2.gz KHUZLGKERRINGK-SFHVURJKSA-N 0 0 409.489 5.246 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000002155937 557320130 /nfs/dbraw/zinc/32/01/30/557320130.db2.gz LWXYCZICGXVRTP-UHFFFAOYSA-N 0 0 401.171 6.171 50 0 HKAARN O=S(=O)(Oc1ccc(Cl)cc1)c1csc(C(F)(F)F)c1-c1ccccc1 ZINC000002157076 557320115 /nfs/dbraw/zinc/32/01/15/557320115.db2.gz URDVYARHZZHZFQ-UHFFFAOYSA-N 0 0 418.845 5.855 50 0 HKAARN CC(C)Oc1cc(C(F)(F)F)nc2ccc(CSc3nc4ccccc4[nH]3)cc21 ZINC000002157078 557320110 /nfs/dbraw/zinc/32/01/10/557320110.db2.gz GTSBUJGOFGFVBB-UHFFFAOYSA-N 0 0 417.456 6.209 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(C)cc3)ccc2c1=O ZINC000002157226 569290400 /nfs/dbraw/zinc/29/04/00/569290400.db2.gz HVYKWMVAGFRKQD-UHFFFAOYSA-N 0 0 402.446 5.790 50 0 HKAARN c1ccc(-c2nc3c(c(N4CCOCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002157267 569290506 /nfs/dbraw/zinc/29/05/06/569290506.db2.gz JUYINCIEKQLOLC-UHFFFAOYSA-N 0 0 411.549 5.405 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C(C)C)cc1Cl ZINC000002157431 557320155 /nfs/dbraw/zinc/32/01/55/557320155.db2.gz GVVIYTQOPBLYIN-UHFFFAOYSA-N 0 0 421.924 6.020 50 0 HKAARN C=Cc1ccc(COc2ccc3c(c2)occ(Oc2ccccc2OC)c3=O)cc1 ZINC000002157726 569290493 /nfs/dbraw/zinc/29/04/93/569290493.db2.gz FZQNJMCJZNZQKB-UHFFFAOYSA-N 0 0 400.430 5.816 50 0 biogenic HKAARN Cc1c2cc(Cl)ccc2sc1-c1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000002157830 557320452 /nfs/dbraw/zinc/32/04/52/557320452.db2.gz OCBKIFQOXRKLAT-UHFFFAOYSA-N 0 0 419.358 6.892 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OCc3cccc(OC)c3)ccc2c1=O ZINC000002158182 569290531 /nfs/dbraw/zinc/29/05/31/569290531.db2.gz JVRFIVGRGWVGPE-UHFFFAOYSA-N 0 0 418.445 5.572 50 0 biogenic HKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(Oc2cccc(OC)c2)c3=O)cc1 ZINC000002158194 569290545 /nfs/dbraw/zinc/29/05/45/569290545.db2.gz NVJNRSKODVEITK-UHFFFAOYSA-N 0 0 414.457 6.124 50 0 HKAARN CCCCc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002158358 569290472 /nfs/dbraw/zinc/29/04/72/569290472.db2.gz ICLOGEVANMJESY-UHFFFAOYSA-N 0 0 411.501 6.159 50 0 biogenic HKAARN COc1ccccc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000002158485 557320464 /nfs/dbraw/zinc/32/04/64/557320464.db2.gz DLZBXYUIKOUGFE-UHFFFAOYSA-N 0 0 418.456 5.880 50 0 HKAARN Cc1cc(Sc2ncnc3cc(-c4ccc(F)cc4)sc32)c(C)cc1Cl ZINC000002158494 557320525 /nfs/dbraw/zinc/32/05/25/557320525.db2.gz SSPADLZTHXUWLS-UHFFFAOYSA-N 0 0 400.931 6.919 50 0 HKAARN FC(F)(F)Oc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002158537 557320460 /nfs/dbraw/zinc/32/04/60/557320460.db2.gz QDZCPVDINLBXAN-UHFFFAOYSA-N 0 0 400.219 6.138 50 0 HKAARN Cc1ccccc1N1COc2c(C)c3oc(=O)c(Cc4ccccc4)c(C)c3cc2C1 ZINC000002158608 569290502 /nfs/dbraw/zinc/29/05/02/569290502.db2.gz MIGLOLJNAYSLLY-UHFFFAOYSA-N 0 0 411.501 5.666 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cccc1C(C)C)CO3 ZINC000002158742 569290521 /nfs/dbraw/zinc/29/05/21/569290521.db2.gz KAYGOIVNUGRKKZ-UHFFFAOYSA-N 0 0 405.538 6.232 50 0 biogenic HKAARN Cc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1F ZINC000002158860 569290462 /nfs/dbraw/zinc/29/04/62/569290462.db2.gz HMBQMHHMTADXBR-UHFFFAOYSA-N 0 0 401.437 5.572 50 0 biogenic HKAARN CC(C)(C)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000002158862 557320527 /nfs/dbraw/zinc/32/05/27/557320527.db2.gz IUDUMGLSTIQJRL-UHFFFAOYSA-N 0 0 412.415 5.906 50 0 HKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 ZINC000002158864 569290466 /nfs/dbraw/zinc/29/04/66/569290466.db2.gz NDFUOKGTZZWJGO-UHFFFAOYSA-N 0 0 414.299 5.091 50 0 biogenic HKAARN CCCCCc1ccc2c(c1)Cc1cc(OC(=O)c3ccc(OCCC)cc3)ccc1-2 ZINC000002159180 557320432 /nfs/dbraw/zinc/32/04/32/557320432.db2.gz RSBUXMHLUBXCHI-UHFFFAOYSA-N 0 0 414.545 6.999 50 0 HKAARN CCCCCc1ccc2c(c1)Cc1cc(OC(=O)C3CCC(CCC)CC3)ccc1-2 ZINC000002159194 557320483 /nfs/dbraw/zinc/32/04/83/557320483.db2.gz GMSJSKYJRFNBTA-UHFFFAOYSA-N 0 0 404.594 7.502 50 0 HKAARN Cc1ccc(COc2ccc3c(c2)oc(=O)cc3-c2cc3ccccc3oc2=O)cc1 ZINC000002159245 569290578 /nfs/dbraw/zinc/29/05/78/569290578.db2.gz UNOKWIQUDILFOQ-UHFFFAOYSA-N 0 0 410.425 5.454 50 0 biogenic HKAARN Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000002159282 557320487 /nfs/dbraw/zinc/32/04/87/557320487.db2.gz UOSWASLTDRCAFE-UHFFFAOYSA-N 0 0 400.319 7.154 50 0 HKAARN Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1-c1ccccc1 ZINC000002159287 557320440 /nfs/dbraw/zinc/32/04/40/557320440.db2.gz CMMMSGHVAQVTEL-UHFFFAOYSA-N 0 0 400.319 7.154 50 0 HKAARN Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000002159291 557320508 /nfs/dbraw/zinc/32/05/08/557320508.db2.gz VJCXCSVLJJTJOE-UHFFFAOYSA-N 0 0 400.319 7.154 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(F)cc2)CO4)cc1 ZINC000002159597 569290586 /nfs/dbraw/zinc/29/05/86/569290586.db2.gz WGSNWSBPNRDZLV-UHFFFAOYSA-N 0 0 417.436 5.273 50 0 biogenic HKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002160404 569292078 /nfs/dbraw/zinc/29/20/78/569292078.db2.gz UKBQHAFAVYKAIV-UHFFFAOYSA-N 0 0 403.522 5.679 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(C(F)(F)F)cc1)CO3 ZINC000002160459 569292058 /nfs/dbraw/zinc/29/20/58/569292058.db2.gz MJSNRIYZZMEMCJ-UHFFFAOYSA-N 0 0 423.390 5.835 50 0 biogenic HKAARN CCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000002160695 569292006 /nfs/dbraw/zinc/29/20/06/569292006.db2.gz GDONGIREUSQSKL-QBQQZWISSA-N 0 0 404.554 5.201 50 0 biogenic HKAARN Fc1ccc(NC(=S)N(c2nc3ccccc3s2)c2cccc(Cl)c2)cc1 ZINC000002160817 557320775 /nfs/dbraw/zinc/32/07/75/557320775.db2.gz FSSHETMFHSBSJU-UHFFFAOYSA-N 0 0 413.930 6.624 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](c1ccccc1)C1CCCC1 ZINC000002160865 557320754 /nfs/dbraw/zinc/32/07/54/557320754.db2.gz YIOMUNPXWROPOT-SFHVURJKSA-N 0 0 415.377 6.637 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](c1ccccc1)C1CCCC1 ZINC000002160868 557320654 /nfs/dbraw/zinc/32/06/54/557320654.db2.gz YIOMUNPXWROPOT-GOSISDBHSA-N 0 0 415.377 6.637 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1sc2ccccc2c1Cl ZINC000002160893 560730535 /nfs/dbraw/zinc/73/05/35/560730535.db2.gz ZFNISMDRDJGRFU-UHFFFAOYSA-N 0 0 424.875 6.426 50 0 HKAARN S=C1N=NC(c2cccnc2Oc2ccccc2)N1c1ccc(Cl)c(Cl)c1 ZINC000002161220 557320683 /nfs/dbraw/zinc/32/06/83/557320683.db2.gz CORKENXCIMEUEX-UHFFFAOYSA-N 0 0 415.305 5.717 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccc(Cl)cc1Cl ZINC000002161336 557320667 /nfs/dbraw/zinc/32/06/67/557320667.db2.gz VAJBZAHFWIZJGM-UHFFFAOYSA-N 0 0 414.647 6.106 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(F)cc1Cl ZINC000002161339 557320765 /nfs/dbraw/zinc/32/07/65/557320765.db2.gz FKEBPIJZYNGUMT-UHFFFAOYSA-N 0 0 400.620 5.969 50 0 HKAARN O=S(=O)(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000002161504 557320737 /nfs/dbraw/zinc/32/07/37/557320737.db2.gz DTBQXRNYRWLGPQ-UHFFFAOYSA-N 0 0 420.532 5.259 50 0 HKAARN O=C(NC(=O)c1ccccc1F)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000002161661 557320626 /nfs/dbraw/zinc/32/06/26/557320626.db2.gz RFQGRIXMGKTXMK-UHFFFAOYSA-N 0 0 419.239 5.887 50 0 HKAARN CCOC(=O)C(C=Nc1ccccc1Oc1ccc(Cl)cc1Cl)C(=O)OCC ZINC000002161664 557320690 /nfs/dbraw/zinc/32/06/90/557320690.db2.gz NCWXJHHBRHGAKK-UHFFFAOYSA-N 0 0 424.280 5.208 50 0 HKAARN O=C(Nc1ccc(Br)cc1)OCCOc1ccc(Cl)cc1Cl ZINC000002161823 557320796 /nfs/dbraw/zinc/32/07/96/557320796.db2.gz PTJDPDXOINDTAS-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NC(C)(C)COC(=O)Nc1cc(Cl)ccc1C ZINC000002162009 557320635 /nfs/dbraw/zinc/32/06/35/557320635.db2.gz QWTKZAXGWCGJKQ-UHFFFAOYSA-N 0 0 424.328 5.759 50 0 HKAARN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000002162017 569292003 /nfs/dbraw/zinc/29/20/03/569292003.db2.gz PHYDHMZPYPTYKV-HYARGMPZSA-N 0 0 419.477 5.641 50 0 HKAARN O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000002162019 557320701 /nfs/dbraw/zinc/32/07/01/557320701.db2.gz PHYDHMZPYPTYKV-HMAPJEAMSA-N 0 0 419.477 5.641 50 0 HKAARN Cc1ccc(/N=c2\scc(C(C)(C)C)n2-c2ccc(C)c(Cl)c2)cc1Cl ZINC000002162421 557320642 /nfs/dbraw/zinc/32/06/42/557320642.db2.gz WDVPDUBRRJSPOO-GFMRDNFCSA-N 0 0 405.394 6.992 50 0 HKAARN Cc1cc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c(C)cc1Cl ZINC000002162894 557321085 /nfs/dbraw/zinc/32/10/85/557321085.db2.gz DBWUWLAEYJBMAE-UHFFFAOYSA-N 0 0 402.899 5.304 50 0 HKAARN O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002162899 557321059 /nfs/dbraw/zinc/32/10/59/557321059.db2.gz FSDXJECZHCUWRJ-UHFFFAOYSA-N 0 0 409.290 5.340 50 0 HKAARN O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000002163023 557320941 /nfs/dbraw/zinc/32/09/41/557320941.db2.gz NUHZKIFKLVNSNN-UHFFFAOYSA-N 0 0 410.260 5.963 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000002163054 557321027 /nfs/dbraw/zinc/32/10/27/557321027.db2.gz NTMMEZVTIUJFOY-UHFFFAOYSA-N 0 0 411.505 6.262 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000002163066 557321044 /nfs/dbraw/zinc/32/10/44/557321044.db2.gz FZIHBUUTNXOIRQ-UHFFFAOYSA-N 0 0 424.287 6.271 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)Nc3ccccc3)o2)cc1 ZINC000002163086 557320865 /nfs/dbraw/zinc/32/08/65/557320865.db2.gz HQUIJEMIEFRGBN-UHFFFAOYSA-N 0 0 412.493 6.345 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002163782 557321054 /nfs/dbraw/zinc/32/10/54/557321054.db2.gz ULCZSQUMVLKFFC-VWLOTQADSA-N 0 0 415.429 7.148 50 0 HKAARN O=C(Nc1ccc(/C=C/c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000002163792 557320960 /nfs/dbraw/zinc/32/09/60/557320960.db2.gz OLWMSXPKBVMLAD-VAWYXSNFSA-N 0 0 418.496 6.362 50 0 HKAARN Brc1ccc(-c2ccc(Br)c3ccccc32)c2ccccc12 ZINC000002163961 557320873 /nfs/dbraw/zinc/32/08/73/557320873.db2.gz XRPQXUVMYUMLIC-UHFFFAOYSA-N 0 0 412.124 7.185 50 0 HKAARN O=C(Oc1ccccc1)c1cc(Sc2ccc(Cl)cc2)c2ccccc2c1O ZINC000002163979 569012643 /nfs/dbraw/zinc/01/26/43/569012643.db2.gz WHUYXGYBBDXGJC-UHFFFAOYSA-N 0 0 406.890 6.569 50 0 HKAARN Fc1cccc(-c2nnc(SCc3ccc(F)cc3Cl)n2-c2ccccc2)c1 ZINC000002164361 557320925 /nfs/dbraw/zinc/32/09/25/557320925.db2.gz GVQDDGDUZAOIEX-UHFFFAOYSA-N 0 0 413.880 6.158 50 0 HKAARN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002164431 569292031 /nfs/dbraw/zinc/29/20/31/569292031.db2.gz QYBRGLXTYFOTCG-DEDYPNTBSA-N 0 0 409.894 6.133 50 0 HKAARN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000002164795 557320971 /nfs/dbraw/zinc/32/09/71/557320971.db2.gz IQCJMYKGUVBSBK-NSIKDUERSA-N 0 0 414.697 5.896 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000002164896 569292019 /nfs/dbraw/zinc/29/20/19/569292019.db2.gz HSNKBUFTZBSYRK-WQRHYEAKSA-N 0 0 416.285 6.494 50 0 HKAARN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002165142 557320887 /nfs/dbraw/zinc/32/08/87/557320887.db2.gz NEAUYNIXHFABCQ-AUWJEWJLSA-N 0 0 414.697 5.896 50 0 HKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002165534 559275245 /nfs/dbraw/zinc/27/52/45/559275245.db2.gz DUNMPARRONYXGM-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002165832 557321227 /nfs/dbraw/zinc/32/12/27/557321227.db2.gz GTINSJKQGFVNCN-UHFFFAOYSA-N 0 0 422.550 5.329 50 0 HKAARN Cc1cc(Br)c2c3c1[nH]c(=O)c(-c1ccccc1)c3-c1ccccc1C2=O ZINC000002166958 557321345 /nfs/dbraw/zinc/32/13/45/557321345.db2.gz NGLCGJZEUKMFNH-UHFFFAOYSA-N 0 0 416.274 5.477 50 0 HKAARN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000002167740 568845990 /nfs/dbraw/zinc/84/59/90/568845990.db2.gz RPWHVHADRPHPLX-UHFFFAOYSA-N 0 0 404.285 5.042 50 0 HKAARN Cc1cc(Br)c(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000002167813 569012669 /nfs/dbraw/zinc/01/26/69/569012669.db2.gz LRGYSDVECIJTHG-UHFFFAOYSA-N 0 0 422.628 6.349 50 0 HKAARN Cc1cc(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Br ZINC000002167814 569012670 /nfs/dbraw/zinc/01/26/70/569012670.db2.gz GBBJCVARLLXLGQ-UHFFFAOYSA-N 0 0 422.628 6.349 50 0 HKAARN Cc1cc(Br)c(OC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000002167842 569012647 /nfs/dbraw/zinc/01/26/47/569012647.db2.gz IXMWXLPFRIQGAP-UHFFFAOYSA-N 0 0 422.628 6.349 50 0 HKAARN Cc1cc(OC(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1Cl ZINC000002167880 569012678 /nfs/dbraw/zinc/01/26/78/569012678.db2.gz IRKMSJNHYYKBAJ-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1cccc(Cl)c1Cl ZINC000002167881 569012646 /nfs/dbraw/zinc/01/26/46/569012646.db2.gz AIDHKTHUGILRHC-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002167888 569012661 /nfs/dbraw/zinc/01/26/61/569012661.db2.gz XODVBDMLZLHPRK-UHFFFAOYSA-N 0 0 418.922 7.251 50 0 HKAARN Cc1cc(Br)c(OC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000002167892 569012671 /nfs/dbraw/zinc/01/26/71/569012671.db2.gz NWTNVZKIEVRNHO-UHFFFAOYSA-N 0 0 423.521 6.637 50 0 HKAARN Cc1cc(OC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Br ZINC000002167894 569012631 /nfs/dbraw/zinc/01/26/31/569012631.db2.gz XCHWVHTZCIMIKD-UHFFFAOYSA-N 0 0 423.521 6.637 50 0 HKAARN CCOc1ccc(N2C(=O)C(=Cc3cc(C(C)C)c(OCC)cc3C)NC2=S)cc1 ZINC000002168077 569292121 /nfs/dbraw/zinc/29/21/21/569292121.db2.gz UHHKEFQPXVYDHO-STZFKDTASA-N 0 0 424.566 5.178 50 0 HKAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002168965 560730587 /nfs/dbraw/zinc/73/05/87/560730587.db2.gz DOFWGZJCPUBAQD-UHFFFAOYSA-N 0 0 424.353 5.249 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 ZINC000002169664 557321212 /nfs/dbraw/zinc/32/12/12/557321212.db2.gz CGSKPBYPAJZZMC-CIAFOILYSA-N 0 0 421.449 5.525 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 ZINC000002169720 557321221 /nfs/dbraw/zinc/32/12/21/557321221.db2.gz ZGBNECJNGUGIHB-CIAFOILYSA-N 0 0 421.449 5.525 50 0 HKAARN O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc21 ZINC000002169915 557321349 /nfs/dbraw/zinc/32/13/49/557321349.db2.gz YUXMTDYHFPRPLG-UHFFFAOYSA-N 0 0 401.959 5.575 50 0 aggregator,in-vitro HKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000002170291 132249145 /nfs/dbraw/zinc/24/91/45/132249145.db2.gz GTJXITYSNNUZDN-UHFFFAOYSA-N 0 0 401.963 5.020 50 0 HKAARN CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1 ZINC000002170394 557321283 /nfs/dbraw/zinc/32/12/83/557321283.db2.gz BSHICHSMPWUXJW-UHFFFAOYSA-N 0 0 415.411 5.935 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC ZINC000002170398 557321376 /nfs/dbraw/zinc/32/13/76/557321376.db2.gz VVEIVJUIAYUURR-UHFFFAOYSA-N 0 0 401.812 5.799 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002170611 557321264 /nfs/dbraw/zinc/32/12/64/557321264.db2.gz UHDFKCYUHGKQKP-UHFFFAOYSA-N 0 0 423.356 6.244 50 0 HKAARN CCc1sc(N(C(=O)C2CCCCC2)c2ccc(C)cc2C)nc1-c1ccccc1 ZINC000002170626 557321248 /nfs/dbraw/zinc/32/12/48/557321248.db2.gz MMKACJZPOOISSP-UHFFFAOYSA-N 0 0 418.606 7.234 50 0 HKAARN CCCC(=O)N(c1nc(-c2ccc(OCC)cc2)c(CC)s1)c1ccc(C)cc1C ZINC000002170641 557321659 /nfs/dbraw/zinc/32/16/59/557321659.db2.gz JBBSRKHXHBCGPR-UHFFFAOYSA-N 0 0 422.594 6.853 50 0 HKAARN CCOc1ccccc1N(C(=O)C1CCCCC1)c1nc(-c2ccccc2)c(C)s1 ZINC000002170658 557321609 /nfs/dbraw/zinc/32/16/09/557321609.db2.gz UDGQYOFJMNHFQI-UHFFFAOYSA-N 0 0 420.578 6.762 50 0 HKAARN CCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(CC)s1)c1ccc(F)cc1 ZINC000002170660 557321569 /nfs/dbraw/zinc/32/15/69/557321569.db2.gz YZEACCBSIAOJCX-UHFFFAOYSA-N 0 0 402.922 6.630 50 0 HKAARN CCCCC(=O)N(c1nc(-c2ccccc2)c(CC)s1)c1ccccc1OCC ZINC000002170672 557321654 /nfs/dbraw/zinc/32/16/54/557321654.db2.gz QUXNRGVQMLEBQO-UHFFFAOYSA-N 0 0 408.567 6.626 50 0 HKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000002170691 557321646 /nfs/dbraw/zinc/32/16/46/557321646.db2.gz OSBQCJAPWIRSKL-UHFFFAOYSA-N 0 0 416.521 6.419 50 0 HKAARN CCCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1cccc(Cl)c1 ZINC000002170742 557321561 /nfs/dbraw/zinc/32/15/61/557321561.db2.gz GKVBZAPCXQTNNE-UHFFFAOYSA-N 0 0 412.986 7.189 50 0 HKAARN CCc1sc(N(C(=O)C2CCCCC2)c2cccc(F)c2)nc1-c1ccccc1 ZINC000002170786 557321600 /nfs/dbraw/zinc/32/16/00/557321600.db2.gz RRFUVBUQPONSIU-UHFFFAOYSA-N 0 0 408.542 6.757 50 0 HKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2cccc(C)c2)nc1-c1ccccc1 ZINC000002170912 557321642 /nfs/dbraw/zinc/32/16/42/557321642.db2.gz RUKBFEAYUYNZHA-UHFFFAOYSA-N 0 0 412.558 6.588 50 0 HKAARN CCCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1OCC ZINC000002170923 557321563 /nfs/dbraw/zinc/32/15/63/557321563.db2.gz VZZYKBQRUSCXDW-UHFFFAOYSA-N 0 0 424.566 6.381 50 0 HKAARN O=C(CSc1nnnn1-c1cccc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000002170947 557321669 /nfs/dbraw/zinc/32/16/69/557321669.db2.gz ZXCDNQYKENONAK-UHFFFAOYSA-N 0 0 422.513 5.458 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002171030 569012673 /nfs/dbraw/zinc/01/26/73/569012673.db2.gz SKGMRPDFTMNFBL-UHFFFAOYSA-N 0 0 420.679 6.489 50 0 HKAARN O=c1c2ccccc2nc(SC2c3ccccc3-c3ccccc32)n1-c1ccccc1 ZINC000002171098 557321613 /nfs/dbraw/zinc/32/16/13/557321613.db2.gz SJXVXUSBBZYNHO-UHFFFAOYSA-N 0 0 418.521 6.248 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000002171199 557321679 /nfs/dbraw/zinc/32/16/79/557321679.db2.gz DXNJVLRDLSHLLT-UHFFFAOYSA-N 0 0 421.056 7.074 50 0 HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 ZINC000002171488 569012649 /nfs/dbraw/zinc/01/26/49/569012649.db2.gz BXHRHHLQLXBOMN-UHFFFAOYSA-N 0 0 403.781 7.146 50 0 HKAARN CSc1nc(Sc2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 ZINC000002171504 557321572 /nfs/dbraw/zinc/32/15/72/557321572.db2.gz ULZVATKSWVKEMN-UHFFFAOYSA-N 0 0 411.404 6.808 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002171730 557321591 /nfs/dbraw/zinc/32/15/91/557321591.db2.gz JVRMCLWTOGJLJS-UHFFFAOYSA-N 0 0 419.695 6.522 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000002171845 557321605 /nfs/dbraw/zinc/32/16/05/557321605.db2.gz ZMZWXIQDYWLTJJ-UHFFFAOYSA-N 0 0 419.695 6.522 50 0 HKAARN CC(C)SC(=O)Nc1ccc(Cc2ccc(NC(=O)SC(C)C)cc2)cc1 ZINC000002171933 569012664 /nfs/dbraw/zinc/01/26/64/569012664.db2.gz DBKSZBDCVMMLDB-UHFFFAOYSA-N 0 0 402.585 6.624 50 0 HKAARN O=C1c2ccccc2N[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000002171936 132249125 /nfs/dbraw/zinc/24/91/25/132249125.db2.gz FARTZEBHVMZCSJ-QFIPXVFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000002171937 132249130 /nfs/dbraw/zinc/24/91/30/132249130.db2.gz FARTZEBHVMZCSJ-JOCHJYFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000002172115 560730731 /nfs/dbraw/zinc/73/07/31/560730731.db2.gz ZNKZIWIQBUQECK-UHFFFAOYSA-N 0 0 419.739 6.881 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002172156 569012659 /nfs/dbraw/zinc/01/26/59/569012659.db2.gz ZOOCJNQHVYCXDQ-UHFFFAOYSA-N 0 0 419.695 6.522 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc2cc(Br)ccc2c1 ZINC000002172269 569012636 /nfs/dbraw/zinc/01/26/36/569012636.db2.gz LEEKEZGMUHJUTC-UHFFFAOYSA-N 0 0 411.082 6.520 50 0 HKAARN Cc1cc(C)c(C(=O)[C@@H](O)[C@@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000002172284 569288253 /nfs/dbraw/zinc/28/82/53/569288253.db2.gz HVHLUFAYNCBUBY-XCZPVHLTSA-N 0 0 400.562 6.221 50 0 HKAARN Cc1cc(C)c(C(=O)[C@@H](O)[C@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000002172286 569288221 /nfs/dbraw/zinc/28/82/21/569288221.db2.gz HVHLUFAYNCBUBY-IAPPQJPRSA-N 0 0 400.562 6.221 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000002172498 569012630 /nfs/dbraw/zinc/01/26/30/569012630.db2.gz CAIWARKAQTYWHQ-UHFFFAOYSA-N 0 0 409.489 6.809 50 0 HKAARN COCc1cc(C(C)(C)C)c(OC(=O)Nc2ccc(Cl)cc2)c(C(C)(C)C)c1 ZINC000002172500 569012679 /nfs/dbraw/zinc/01/26/79/569012679.db2.gz STZPQDYQDZRLMJ-UHFFFAOYSA-N 0 0 403.950 6.692 50 0 HKAARN Cc1cc(OC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)cc1Cl ZINC000002172517 569012663 /nfs/dbraw/zinc/01/26/63/569012663.db2.gz YUMUYDUGLWVOFB-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN O=C(Nc1cccc2ccccc21)Oc1ccc(-c2ccccc2)cc1Br ZINC000002172711 569012677 /nfs/dbraw/zinc/01/26/77/569012677.db2.gz GZWZWYUCSMXGBZ-UHFFFAOYSA-N 0 0 418.290 6.880 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCCOc1ccc(-c2ccccc2)cc1 ZINC000002172828 569012650 /nfs/dbraw/zinc/01/26/50/569012650.db2.gz OAYGCTXRPCNYGI-UHFFFAOYSA-N 0 0 401.384 6.000 50 0 HKAARN COC(=O)/C(=C\c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2)C(C)(C)C ZINC000002172851 557321886 /nfs/dbraw/zinc/32/18/86/557321886.db2.gz AJPOCWMVKMGNHR-JJIBRWJFSA-N 0 0 418.621 7.455 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000002172870 569012689 /nfs/dbraw/zinc/01/26/89/569012689.db2.gz KMLDUWWTTPNAFR-UHFFFAOYSA-N 0 0 416.260 5.961 50 0 HKAARN O=C(c1c(Cl)sc(Cl)c1Cl)c1c(Cl)sc(Cl)c1Cl ZINC000002173028 569293312 /nfs/dbraw/zinc/29/33/12/569293312.db2.gz KJYKMIIQETYYIK-UHFFFAOYSA-N 0 0 400.950 6.961 50 0 HKAARN O=P(CCCc1ccccc1)(CCCc1ccccc1)CCCc1ccccc1 ZINC000002173153 569012693 /nfs/dbraw/zinc/01/26/93/569012693.db2.gz VNPJOKYNZNDLIO-UHFFFAOYSA-N 0 0 404.534 7.248 50 0 HKAARN Brc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000002173292 569012715 /nfs/dbraw/zinc/01/27/15/569012715.db2.gz AVIFETXUEKGOSB-UHFFFAOYSA-N 0 0 420.926 5.553 50 0 HKAARN Clc1sc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl ZINC000002173376 569012684 /nfs/dbraw/zinc/01/26/84/569012684.db2.gz KDSDCDNFHRZMDM-UHFFFAOYSA-N 0 0 401.356 7.989 50 0 HKAARN c1ccc2nc(-c3ccc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1 ZINC000002173545 569012710 /nfs/dbraw/zinc/01/27/10/569012710.db2.gz YOWFQMUBXIIJFA-UHFFFAOYSA-N 0 0 408.504 7.784 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Sc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000002173631 569012720 /nfs/dbraw/zinc/01/27/20/569012720.db2.gz BBFGRNMUJIHQND-UHFFFAOYSA-N 0 0 416.544 6.981 50 0 HKAARN CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002175285 557321823 /nfs/dbraw/zinc/32/18/23/557321823.db2.gz SIXZBAKDNPVUSG-DEOSSOPVSA-N 0 0 417.980 6.718 50 0 HKAARN CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002175286 557321829 /nfs/dbraw/zinc/32/18/29/557321829.db2.gz SIXZBAKDNPVUSG-XMMPIXPASA-N 0 0 417.980 6.718 50 0 HKAARN CCOc1ccc2ccccc2c1/C=C1/N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000002176526 560585038 /nfs/dbraw/zinc/58/50/38/560585038.db2.gz YIKNJUHPPIKYGA-LDADJPATSA-N 0 0 422.824 5.145 50 0 HKAARN Cn1c2ccccc2c(Sc2ccccc2)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000002176617 557322144 /nfs/dbraw/zinc/32/21/44/557322144.db2.gz VOGXIWSZLVTTER-UHFFFAOYSA-N 0 0 406.938 6.164 50 0 HKAARN CCCc1sc(Nc2ccccc2OCC)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002176714 569293470 /nfs/dbraw/zinc/29/34/70/569293470.db2.gz VLCGEEKTPSUJOT-UHFFFAOYSA-N 0 0 407.366 7.212 50 0 HKAARN CCCc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002176715 569293441 /nfs/dbraw/zinc/29/34/41/569293441.db2.gz YDFNMKCWEJAHEM-UHFFFAOYSA-N 0 0 413.373 7.966 50 0 HKAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 ZINC000002176764 569293471 /nfs/dbraw/zinc/29/34/71/569293471.db2.gz HJYWUGADDGJLLU-UHFFFAOYSA-N 0 0 402.881 6.206 50 0 HKAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002177013 557322195 /nfs/dbraw/zinc/32/21/95/557322195.db2.gz JUXPMJZUKXQIHW-LDUIBRKMSA-N 0 0 409.573 6.874 50 0 HKAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002177014 557322146 /nfs/dbraw/zinc/32/21/46/557322146.db2.gz JUXPMJZUKXQIHW-GCBFDWCNSA-N 0 0 409.573 6.874 50 0 HKAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002177015 557322159 /nfs/dbraw/zinc/32/21/59/557322159.db2.gz JUXPMJZUKXQIHW-KUXWUFDLSA-N 0 0 409.573 6.874 50 0 HKAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002177016 557322149 /nfs/dbraw/zinc/32/21/49/557322149.db2.gz JUXPMJZUKXQIHW-JGYHXSOQSA-N 0 0 409.573 6.874 50 0 HKAARN Cc1cc(C(F)(F)F)c2c(-c3ccc(C(C)(C)C)cc3)nn(-c3ccccc3)c2n1 ZINC000002177025 557322140 /nfs/dbraw/zinc/32/21/40/557322140.db2.gz YESHSEWSYISRJY-UHFFFAOYSA-N 0 0 409.455 6.712 50 0 HKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000002177299 557322142 /nfs/dbraw/zinc/32/21/42/557322142.db2.gz ARUBXTZAIBFTSZ-AATYUJHQSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000002177300 557322135 /nfs/dbraw/zinc/32/21/35/557322135.db2.gz ARUBXTZAIBFTSZ-OVVICAPSSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000002177301 557322152 /nfs/dbraw/zinc/32/21/52/557322152.db2.gz ARUBXTZAIBFTSZ-OJVSJSBUSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000002177302 557322203 /nfs/dbraw/zinc/32/22/03/557322203.db2.gz ARUBXTZAIBFTSZ-WXPCENJTSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl ZINC000002177496 557322147 /nfs/dbraw/zinc/32/21/47/557322147.db2.gz NWLIYNWTXQKZHU-AATYUJHQSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl ZINC000002177497 557322177 /nfs/dbraw/zinc/32/21/77/557322177.db2.gz NWLIYNWTXQKZHU-OVVICAPSSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl ZINC000002177498 557322165 /nfs/dbraw/zinc/32/21/65/557322165.db2.gz NWLIYNWTXQKZHU-OJVSJSBUSA-N 0 0 401.937 6.458 50 0 HKAARN CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl ZINC000002177499 557322130 /nfs/dbraw/zinc/32/21/30/557322130.db2.gz NWLIYNWTXQKZHU-WXPCENJTSA-N 0 0 401.937 6.458 50 0 HKAARN C[C@]12C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 ZINC000002177529 557322154 /nfs/dbraw/zinc/32/21/54/557322154.db2.gz MXYPUSAIYVJWLF-NFBKMPQASA-N 0 0 422.311 5.489 50 0 HKAARN C[C@@]12C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 ZINC000002177530 557322164 /nfs/dbraw/zinc/32/21/64/557322164.db2.gz MXYPUSAIYVJWLF-REWPJTCUSA-N 0 0 422.311 5.489 50 0 HKAARN C[C@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 ZINC000002177531 557322186 /nfs/dbraw/zinc/32/21/86/557322186.db2.gz GCWGEOBAZDSDOX-NFBKMPQASA-N 0 0 421.418 5.201 50 0 HKAARN C[C@@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 ZINC000002177532 557322174 /nfs/dbraw/zinc/32/21/74/557322174.db2.gz GCWGEOBAZDSDOX-REWPJTCUSA-N 0 0 421.418 5.201 50 0 HKAARN CCCCc1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 ZINC000002177838 560730728 /nfs/dbraw/zinc/73/07/28/560730728.db2.gz HEOOUQYDPWYBHF-UHFFFAOYSA-N 0 0 400.956 6.759 50 0 HKAARN CCc1ccc([C@@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2c2ccccc2)cc1 ZINC000002177853 557322189 /nfs/dbraw/zinc/32/21/89/557322189.db2.gz QCFAFXRZLXUSCW-DEOSSOPVSA-N 0 0 403.913 5.830 50 0 HKAARN CCc1ccc([C@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2c2ccccc2)cc1 ZINC000002177854 557322423 /nfs/dbraw/zinc/32/24/23/557322423.db2.gz QCFAFXRZLXUSCW-XMMPIXPASA-N 0 0 403.913 5.830 50 0 HKAARN CCc1ccc([C@@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2c2ccc(F)cc2)cc1 ZINC000002177887 557322351 /nfs/dbraw/zinc/32/23/51/557322351.db2.gz LQSJDRQUMXKDNL-VWLOTQADSA-N 0 0 401.485 5.624 50 0 HKAARN CCc1ccc([C@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2c2ccc(F)cc2)cc1 ZINC000002177888 557322395 /nfs/dbraw/zinc/32/23/95/557322395.db2.gz LQSJDRQUMXKDNL-RUZDIDTESA-N 0 0 401.485 5.624 50 0 HKAARN Cc1ccccc1OCc1nnc(SCc2c(C)cc(C(C)(C)C)cc2C)n1C ZINC000002178058 557322392 /nfs/dbraw/zinc/32/23/92/557322392.db2.gz MXSFUMPTLKPDQN-UHFFFAOYSA-N 0 0 409.599 5.909 50 0 HKAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1Cl ZINC000002178132 557322424 /nfs/dbraw/zinc/32/24/24/557322424.db2.gz DNKLQBUJXOYUQR-UHFFFAOYSA-N 0 0 400.290 5.917 50 0 HKAARN Cc1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1C ZINC000002178552 560730733 /nfs/dbraw/zinc/73/07/33/560730733.db2.gz CNVYUGPEXYSTAD-UHFFFAOYSA-N 0 0 402.519 5.174 50 0 HKAARN CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000002178943 557322409 /nfs/dbraw/zinc/32/24/09/557322409.db2.gz LNTUPAFRKLUDEZ-HNNXBMFYSA-N 0 0 410.341 5.311 50 0 HKAARN CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000002178944 557322415 /nfs/dbraw/zinc/32/24/15/557322415.db2.gz LNTUPAFRKLUDEZ-OAHLLOKOSA-N 0 0 410.341 5.311 50 0 HKAARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002178971 557322340 /nfs/dbraw/zinc/32/23/40/557322340.db2.gz ZENTYGQCECVLLE-NRFANRHFSA-N 0 0 402.346 6.682 50 0 HKAARN Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002178972 557322324 /nfs/dbraw/zinc/32/23/24/557322324.db2.gz ZENTYGQCECVLLE-OAQYLSRUSA-N 0 0 402.346 6.682 50 0 HKAARN CCCCOc1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC ZINC000002179052 569293479 /nfs/dbraw/zinc/29/34/79/569293479.db2.gz ODGUUHCBKJOECN-UHFFFAOYSA-N 0 0 417.549 5.365 50 0 biogenic HKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1C1CCCCC1)CCCC3 ZINC000002179083 557322378 /nfs/dbraw/zinc/32/23/78/557322378.db2.gz HUMHPCFRHDGFMR-UHFFFAOYSA-N 0 0 424.635 6.177 50 0 HKAARN O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)CCCC3 ZINC000002179086 557322358 /nfs/dbraw/zinc/32/23/58/557322358.db2.gz BTNGIGYYPXHPNX-UHFFFAOYSA-N 0 0 418.587 5.661 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002179088 557322362 /nfs/dbraw/zinc/32/23/62/557322362.db2.gz MKPGUFWAJISHFF-UHFFFAOYSA-N 0 0 400.569 5.227 50 0 HKAARN Cc1cc(Br)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000002179133 557322405 /nfs/dbraw/zinc/32/24/05/557322405.db2.gz CJIPPCXZVRQZFB-UHFFFAOYSA-N 0 0 408.380 5.630 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002179182 557322354 /nfs/dbraw/zinc/32/23/54/557322354.db2.gz UAFRIXJOYUWMAY-UHFFFAOYSA-N 0 0 402.346 6.216 50 0 HKAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002179191 557322397 /nfs/dbraw/zinc/32/23/97/557322397.db2.gz WIHOLXCYYHIGTO-SFHVURJKSA-N 0 0 400.522 5.727 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002179192 557322631 /nfs/dbraw/zinc/32/26/31/557322631.db2.gz WIHOLXCYYHIGTO-GOSISDBHSA-N 0 0 400.522 5.727 50 0 HKAARN CSc1ccc(OC2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000002179695 569293458 /nfs/dbraw/zinc/29/34/58/569293458.db2.gz VWXJLONPTKMKLF-KGENOOAVSA-N 0 0 420.921 5.885 50 0 HKAARN CSc1ccc(OC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000002179697 569293407 /nfs/dbraw/zinc/29/34/07/569293407.db2.gz MWCHKTLYFZNCJL-RCCKNPSSSA-N 0 0 420.921 5.885 50 0 HKAARN CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000002179699 557322652 /nfs/dbraw/zinc/32/26/52/557322652.db2.gz DYTYDMCMZJGCJW-JWGURIENSA-N 0 0 400.503 5.540 50 0 HKAARN CCCCN(CCCC)C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002179753 569293486 /nfs/dbraw/zinc/29/34/86/569293486.db2.gz XNVGIRJLFRBKRR-OQKWZONESA-N 0 0 409.961 5.986 50 0 HKAARN CC(C)CN(CC(C)C)C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000002179759 569293405 /nfs/dbraw/zinc/29/34/05/569293405.db2.gz MKHDSCUPEPNMJI-LPYMAVHISA-N 0 0 409.961 5.698 50 0 HKAARN CCCCc1cc2c(cc1C)NC(C)(C)c1sn(-c3ccc(C)cc3)c(=S)c1-2 ZINC000002180527 557322662 /nfs/dbraw/zinc/32/26/62/557322662.db2.gz WKZAPDKKXVMURA-UHFFFAOYSA-N 0 0 408.636 7.555 50 0 HKAARN CCCCc1c(C)c2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2oc1=O ZINC000002180697 557322607 /nfs/dbraw/zinc/32/26/07/557322607.db2.gz ORBMRDUCGSBTTR-UHFFFAOYSA-N 0 0 404.462 5.738 50 0 biogenic HKAARN Cc1cc(-c2ccccc2)nc2oc3c(ncnc3SCc3ccc(Cl)cc3)c21 ZINC000002180871 557322666 /nfs/dbraw/zinc/32/26/66/557322666.db2.gz RHSXSTWNHGANPA-UHFFFAOYSA-N 0 0 417.921 6.692 50 0 HKAARN Cc1sc2nc(SCc3ccccc3)nc(SCc3ccccc3)c2c1C ZINC000002180909 557322625 /nfs/dbraw/zinc/32/26/25/557322625.db2.gz JZDPDDKVZBUQTO-UHFFFAOYSA-N 0 0 408.617 6.893 50 0 HKAARN CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000002181045 557322668 /nfs/dbraw/zinc/32/26/68/557322668.db2.gz XQBZQOPWYDSUBH-UHFFFAOYSA-N 0 0 419.358 6.143 50 0 HKAARN Fc1ccc(CSc2n[nH]c(CN3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000002181095 132249136 /nfs/dbraw/zinc/24/91/36/132249136.db2.gz ZTWONFYIGIIHGQ-UHFFFAOYSA-N 0 0 420.538 6.039 50 0 HKAARN c1ccc(CSc2nc3sc4c(c3c(SCc3ccccc3)n2)CCC4)cc1 ZINC000002181107 557322980 /nfs/dbraw/zinc/32/29/80/557322980.db2.gz QHHKSPVSPTZEPJ-UHFFFAOYSA-N 0 0 420.628 6.765 50 0 HKAARN Clc1cccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3Cl)c1 ZINC000002181154 557322923 /nfs/dbraw/zinc/32/29/23/557322923.db2.gz BEXLURIHBPNLAN-UHFFFAOYSA-N 0 0 417.299 6.456 50 0 HKAARN COc1cccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3Cl)c1 ZINC000002181157 557322986 /nfs/dbraw/zinc/32/29/86/557322986.db2.gz FGARYKVUTMPGPB-UHFFFAOYSA-N 0 0 412.880 5.812 50 0 HKAARN Clc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3Cl)cc1 ZINC000002181158 557322976 /nfs/dbraw/zinc/32/29/76/557322976.db2.gz PNHGWYBSQMESFX-UHFFFAOYSA-N 0 0 417.299 6.456 50 0 HKAARN Fc1ccccc1-n1nc2c(c1-c1ccccc1)c(-c1ccccc1)nnc2Cl ZINC000002181159 557322958 /nfs/dbraw/zinc/32/29/58/557322958.db2.gz WQGXJOLOVZMENN-UHFFFAOYSA-N 0 0 400.844 5.942 50 0 HKAARN S=c1[nH]nc(-c2ccccc2)c2c1nn(-c1cccc(Cl)c1)c2-c1ccccc1 ZINC000002181172 557322965 /nfs/dbraw/zinc/32/29/65/557322965.db2.gz NQUBPDIQRPVZOV-UHFFFAOYSA-N 0 0 414.921 6.465 50 0 HKAARN CCOc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)n[nH]c3=S)cc1 ZINC000002181173 557322952 /nfs/dbraw/zinc/32/29/52/557322952.db2.gz SCWYWPXSVQPUBK-UHFFFAOYSA-N 0 0 424.529 6.211 50 0 HKAARN S=c1[nH]nc(-c2ccccc2)c2c1nn(-c1ccc(Cl)cc1)c2-c1ccccc1 ZINC000002181174 557322900 /nfs/dbraw/zinc/32/29/00/557322900.db2.gz GYYQVDOFCJRNFF-UHFFFAOYSA-N 0 0 414.921 6.465 50 0 HKAARN CCOc1nnc(-c2ccccc2)c2c1nn(-c1ccccc1F)c2-c1ccccc1 ZINC000002181193 557322912 /nfs/dbraw/zinc/32/29/12/557322912.db2.gz ZVTNLVBPNBCGMF-UHFFFAOYSA-N 0 0 410.452 5.687 50 0 HKAARN CCOc1nnc(-c2ccccc2)c2c1nn(-c1cccc(OC)c1)c2-c1ccccc1 ZINC000002181194 557322954 /nfs/dbraw/zinc/32/29/54/557322954.db2.gz JPWSAUVNLIYTJD-UHFFFAOYSA-N 0 0 422.488 5.557 50 0 HKAARN CC(C)n1nc(-c2ccccc2)c2c(nn(-c3ccccc3F)c2-c2ccccc2)c1=O ZINC000002181196 557322968 /nfs/dbraw/zinc/32/29/68/557322968.db2.gz RKKLZVRKWHKIHL-UHFFFAOYSA-N 0 0 424.479 5.636 50 0 HKAARN CCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000002181623 557322949 /nfs/dbraw/zinc/32/29/49/557322949.db2.gz CBOBFNAHDKHBDG-UHFFFAOYSA-N 0 0 406.265 5.141 50 0 HKAARN CN(C)C1(c2nnnn2[C@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000002181932 569293601 /nfs/dbraw/zinc/29/36/01/569293601.db2.gz HMFZJGNSWBAPTK-SXAWMYDMSA-N 0 0 422.404 5.611 50 0 HKAARN CN(C)C1(c2nnnn2[C@@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000002181934 569293595 /nfs/dbraw/zinc/29/35/95/569293595.db2.gz HMFZJGNSWBAPTK-CKDFRHGISA-N 0 0 422.404 5.611 50 0 HKAARN Cc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1Cl ZINC000002181948 557322927 /nfs/dbraw/zinc/32/29/27/557322927.db2.gz HFYORQRSLZUFKW-ATJXCDBQSA-N 0 0 401.000 6.948 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002182067 132249148 /nfs/dbraw/zinc/24/91/48/132249148.db2.gz ZBNGBSRKPXQTGI-UHFFFAOYSA-N 0 0 412.401 5.214 50 0 HKAARN CCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002182362 557322948 /nfs/dbraw/zinc/32/29/48/557322948.db2.gz KOWIJGPAIIVUMZ-ZDUSSCGKSA-N 0 0 404.601 5.353 50 0 HKAARN CCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002182363 557322982 /nfs/dbraw/zinc/32/29/82/557322982.db2.gz KOWIJGPAIIVUMZ-CYBMUJFWSA-N 0 0 404.601 5.353 50 0 HKAARN CCCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000002182466 557323194 /nfs/dbraw/zinc/32/31/94/557323194.db2.gz FUJNDULAEILLNQ-UHFFFAOYSA-N 0 0 420.123 5.692 50 0 HKAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Oc1c(Cl)cccc1Cl ZINC000002182591 557323181 /nfs/dbraw/zinc/32/31/81/557323181.db2.gz DHMDXEVUUUIHAO-UHFFFAOYSA-N 0 0 402.082 5.077 50 0 HKAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)cc1 ZINC000002182599 557323168 /nfs/dbraw/zinc/32/31/68/557323168.db2.gz AJKJMTSXJFXRHO-UHFFFAOYSA-N 0 0 410.322 5.607 50 0 HKAARN Clc1nccc2ccc(OCCCCOc3ccc4ccnc(Cl)c4c3)cc21 ZINC000002182849 557323162 /nfs/dbraw/zinc/32/31/62/557323162.db2.gz UGPOBWJTWYNHDY-UHFFFAOYSA-N 0 0 413.304 6.328 50 0 HKAARN COc1c(Br)cc2ccccc2c1-c1c2ccccc2cc(CO)c1OC ZINC000002182851 557323188 /nfs/dbraw/zinc/32/31/88/557323188.db2.gz NQPJBXUFEYHZKG-UHFFFAOYSA-N 0 0 423.306 5.932 50 0 HKAARN Cc1cc(C)n(-c2cc(Oc3ccc(Cl)cc3Cl)nc(-c3ccccc3)n2)n1 ZINC000002182898 557323183 /nfs/dbraw/zinc/32/31/83/557323183.db2.gz CKUZEJIKSFQYDW-UHFFFAOYSA-N 0 0 411.292 6.045 50 0 HKAARN Fc1cccc(Cl)c1Cc1nn2c(nnc2-c2cccc(C(F)(F)F)c2)s1 ZINC000002182941 557323215 /nfs/dbraw/zinc/32/32/15/557323215.db2.gz XXKNUISHARIIAI-UHFFFAOYSA-N 0 0 412.799 5.255 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000002182964 557323158 /nfs/dbraw/zinc/32/31/58/557323158.db2.gz YJOXSFFRTJOLBI-UHFFFAOYSA-N 0 0 414.334 5.557 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn32)cc1 ZINC000002182966 557323174 /nfs/dbraw/zinc/32/31/74/557323174.db2.gz FJFGLFRKXHENMS-UHFFFAOYSA-N 0 0 414.334 5.557 50 0 HKAARN FC(F)(F)c1ccc(-c2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000002182969 557323171 /nfs/dbraw/zinc/32/31/71/557323171.db2.gz UIROPXDPZMCEOK-UHFFFAOYSA-N 0 0 414.334 5.557 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn32)cc1 ZINC000002182970 557323200 /nfs/dbraw/zinc/32/32/00/557323200.db2.gz JESFQAKXIFMZBH-UHFFFAOYSA-N 0 0 422.435 6.206 50 0 HKAARN Fc1cccc(Cl)c1Cc1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000002182976 557323202 /nfs/dbraw/zinc/32/32/02/557323202.db2.gz JJNITTHHXSXNJN-UHFFFAOYSA-N 0 0 412.799 5.255 50 0 HKAARN Cc1ccc(-c2nnc3sc([C@@H](C)c4ccc(-c5ccccc5)c(F)c4)nn32)cc1 ZINC000002182982 557323176 /nfs/dbraw/zinc/32/31/76/557323176.db2.gz ZWCNLJMFYXGERC-INIZCTEOSA-N 0 0 414.509 6.119 50 0 HKAARN Cc1ccc(-c2nnc3sc([C@H](C)c4ccc(-c5ccccc5)c(F)c4)nn32)cc1 ZINC000002182983 557323208 /nfs/dbraw/zinc/32/32/08/557323208.db2.gz ZWCNLJMFYXGERC-MRXNPFEDSA-N 0 0 414.509 6.119 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002182990 557323198 /nfs/dbraw/zinc/32/31/98/557323198.db2.gz AUQDGVQUKBHZFO-UHFFFAOYSA-N 0 0 400.569 5.191 50 0 HKAARN COc1ccc(Cn2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)cc1 ZINC000002183037 557323172 /nfs/dbraw/zinc/32/31/72/557323172.db2.gz YBGCSQLNKXETBW-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 HKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002183042 557323213 /nfs/dbraw/zinc/32/32/13/557323213.db2.gz ZBJQOIBWRKYODQ-UHFFFAOYSA-N 0 0 414.596 5.581 50 0 HKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCC3 ZINC000002183044 557323149 /nfs/dbraw/zinc/32/31/49/557323149.db2.gz AGHGJCZISLNPFF-UHFFFAOYSA-N 0 0 411.379 5.566 50 0 HKAARN COc1ccc2o/c(=N\c3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000002183060 557323186 /nfs/dbraw/zinc/32/31/86/557323186.db2.gz KQHXZCGALIEVDV-BZZOAKBMSA-N 0 0 401.853 5.871 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000002183138 557323143 /nfs/dbraw/zinc/32/31/43/557323143.db2.gz PYVICYZPOHDTOC-UHFFFAOYSA-N 0 0 420.559 5.237 50 0 HKAARN Nc1nc(SC(c2ccccc2)c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002183166 557323217 /nfs/dbraw/zinc/32/32/17/557323217.db2.gz OFDXISCFVXFZTM-UHFFFAOYSA-N 0 0 403.576 6.034 50 0 HKAARN COc1ccc(CSc2nc3sc4c(c3c(N)n2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000002183167 557323204 /nfs/dbraw/zinc/32/32/04/557323204.db2.gz RJJCIWOYQNRPDD-AWEZNQCLSA-N 0 0 413.612 5.725 50 0 HKAARN COc1ccc(CSc2nc3sc4c(c3c(N)n2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000002183168 557323190 /nfs/dbraw/zinc/32/31/90/557323190.db2.gz RJJCIWOYQNRPDD-CQSZACIVSA-N 0 0 413.612 5.725 50 0 HKAARN CCOc1ccc2nc(SCC(=O)n3c4ccccc4c4ccccc43)sc2c1 ZINC000002183205 557323581 /nfs/dbraw/zinc/32/35/81/557323581.db2.gz XODFAIYDYULZAA-UHFFFAOYSA-N 0 0 418.543 6.235 50 0 HKAARN CCOc1ccc2nc(SCC(=O)n3c4ccccc4c4c3CCCC4)sc2c1 ZINC000002183206 557323578 /nfs/dbraw/zinc/32/35/78/557323578.db2.gz VZTOJHMZXXFSBD-UHFFFAOYSA-N 0 0 422.575 5.961 50 0 HKAARN Clc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c(Cl)c1 ZINC000002183215 557323574 /nfs/dbraw/zinc/32/35/74/557323574.db2.gz ALVOHMNQJNOFPZ-UHFFFAOYSA-N 0 0 400.696 7.001 50 0 HKAARN C[C@H](c1nn2c(nnc2-c2ccccc2)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183233 557323616 /nfs/dbraw/zinc/32/36/16/557323616.db2.gz SZKMFTUYCOWZQU-HNNXBMFYSA-N 0 0 400.482 5.811 50 0 HKAARN C[C@@H](c1nn2c(nnc2-c2ccccc2)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183234 557323520 /nfs/dbraw/zinc/32/35/20/557323520.db2.gz SZKMFTUYCOWZQU-OAHLLOKOSA-N 0 0 400.482 5.811 50 0 HKAARN CCc1ccccc1-n1ncc(-c2nn3c(nnc3-c3cc(C)cc(C)c3)s2)c1C ZINC000002183269 557323555 /nfs/dbraw/zinc/32/35/55/557323555.db2.gz IVZZRDJKGOQGFK-UHFFFAOYSA-N 0 0 414.538 5.193 50 0 HKAARN CCCC(C(=O)NC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000002183325 557323587 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CCCCSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C ZINC000002185520 557324256 /nfs/dbraw/zinc/32/42/56/557324256.db2.gz FCZLKRSKCVHVBM-UHFFFAOYSA-N 0 0 422.598 5.924 50 0 HKAARN COc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)c1 ZINC000002185688 569293524 /nfs/dbraw/zinc/29/35/24/569293524.db2.gz HBLVATCKHVQYFW-UHFFFAOYSA-N 0 0 406.485 6.581 50 0 HKAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccc(C)cc2)CCCCC3)cc1 ZINC000002185822 569293613 /nfs/dbraw/zinc/29/36/13/569293613.db2.gz TTZDWIHBDPTNOO-UHFFFAOYSA-N 0 0 418.562 6.138 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CC[C@H](C)C3)cc1 ZINC000002185823 569293607 /nfs/dbraw/zinc/29/36/07/569293607.db2.gz GYMLBNOBKMNJHW-INIZCTEOSA-N 0 0 418.562 5.994 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CC[C@@H](C)C3)cc1 ZINC000002185824 569293619 /nfs/dbraw/zinc/29/36/19/569293619.db2.gz GYMLBNOBKMNJHW-MRXNPFEDSA-N 0 0 418.562 5.994 50 0 HKAARN COc1ccc(-c2cc(OC(=O)c3ccc(Cl)cc3)cc3sc(=O)oc32)cc1 ZINC000002185828 569293583 /nfs/dbraw/zinc/29/35/83/569293583.db2.gz GBUUYKODHVWJPQ-UHFFFAOYSA-N 0 0 412.850 5.403 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCCC2)CCCCC3)c1 ZINC000002186031 557324141 /nfs/dbraw/zinc/32/41/41/557324141.db2.gz KWYFLWXRXTWGJM-UHFFFAOYSA-N 0 0 410.583 5.594 50 0 HKAARN COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCCC2 ZINC000002186137 557324174 /nfs/dbraw/zinc/32/41/74/557324174.db2.gz HOHVSUTYABGLIK-UHFFFAOYSA-N 0 0 411.445 5.465 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000002186155 557324333 /nfs/dbraw/zinc/32/43/33/557324333.db2.gz VGTCLLUBJWIEHH-GFCCVEGCSA-N 0 0 400.261 6.299 50 0 HKAARN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002186715 560585032 /nfs/dbraw/zinc/58/50/32/560585032.db2.gz KQYNXTKVAJXCFG-LICLKQGHSA-N 0 0 402.208 5.737 50 0 HKAARN CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(C(C)(C)C)cc2)OC1=O ZINC000002186782 569293532 /nfs/dbraw/zinc/29/35/32/569293532.db2.gz GQUHIESTXUCGFW-RELWKKBWSA-N 0 0 405.538 6.288 50 0 HKAARN CCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O ZINC000002186783 557324244 /nfs/dbraw/zinc/32/42/44/557324244.db2.gz GQUHIESTXUCGFW-PYCFMQQDSA-N 0 0 405.538 6.288 50 0 HKAARN Clc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)c(Cl)c1 ZINC000002186895 557324586 /nfs/dbraw/zinc/32/45/86/557324586.db2.gz LGBGMLCOJVVFFQ-UHFFFAOYSA-N 0 0 416.127 6.098 50 0 HKAARN Cc1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000002186963 557324554 /nfs/dbraw/zinc/32/45/54/557324554.db2.gz NVJDFBCXRRVPAP-UHFFFAOYSA-N 0 0 413.296 5.731 50 0 HKAARN Cc1cccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 ZINC000002186968 557324565 /nfs/dbraw/zinc/32/45/65/557324565.db2.gz MLYKNICWAAWDDW-UHFFFAOYSA-N 0 0 413.296 5.731 50 0 HKAARN CCn1c2ccccc2c2cc(C3N(c4ccccc4)CCN3c3ccccc3)ccc21 ZINC000002186990 557324498 /nfs/dbraw/zinc/32/44/98/557324498.db2.gz PFNLJYKYPSQPEV-UHFFFAOYSA-N 0 0 417.556 6.840 50 0 HKAARN Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000002186995 557324524 /nfs/dbraw/zinc/32/45/24/557324524.db2.gz 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557325447 /nfs/dbraw/zinc/32/54/47/557325447.db2.gz CLURNUYLUHOURI-UHFFFAOYSA-N 0 0 403.359 7.216 50 0 HKAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002193298 569293895 /nfs/dbraw/zinc/29/38/95/569293895.db2.gz OGCXNCGINLAPHU-QCDSWUKFSA-N 0 0 422.509 6.140 50 0 HKAARN CCCCOc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000002193299 569293917 /nfs/dbraw/zinc/29/39/17/569293917.db2.gz OMKYBAOEWFZJBR-UHFFFAOYSA-N 0 0 401.466 5.127 50 0 HKAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002193300 569293879 /nfs/dbraw/zinc/29/38/79/569293879.db2.gz OGCXNCGINLAPHU-SETSBSEESA-N 0 0 422.509 6.140 50 0 HKAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002193303 569293927 /nfs/dbraw/zinc/29/39/27/569293927.db2.gz OGCXNCGINLAPHU-RNAHPLFWSA-N 0 0 422.509 6.140 50 0 HKAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002193304 569293928 /nfs/dbraw/zinc/29/39/28/569293928.db2.gz OGCXNCGINLAPHU-FYBSXPHGSA-N 0 0 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569296891 /nfs/dbraw/zinc/29/68/91/569296891.db2.gz JSJJGCWYVWOYIY-HNNXBMFYSA-N 0 0 411.955 5.627 50 0 HKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000002207395 569296848 /nfs/dbraw/zinc/29/68/48/569296848.db2.gz AHFCAZQJWXOKOL-IBGZPJMESA-N 0 0 421.301 6.876 50 0 HKAARN O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000002207397 569296857 /nfs/dbraw/zinc/29/68/57/569296857.db2.gz AHFCAZQJWXOKOL-LJQANCHMSA-N 0 0 421.301 6.876 50 0 HKAARN CCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000002207496 569296945 /nfs/dbraw/zinc/29/69/45/569296945.db2.gz KFLUKEMBARGZPQ-UHFFFAOYSA-N 0 0 410.521 5.615 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002207661 569296868 /nfs/dbraw/zinc/29/68/68/569296868.db2.gz NVCIQJQYZLFVNL-UHFFFAOYSA-N 0 0 416.525 5.261 50 0 HKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccccc1)CCC3 ZINC000002207725 557326653 /nfs/dbraw/zinc/32/66/53/557326653.db2.gz FCPVVAHZTPHWCZ-UHFFFAOYSA-N 0 0 404.560 5.287 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)NC1=NC2=C(CCCC2)C2(CCCCC2)S1 ZINC000002207768 569296909 /nfs/dbraw/zinc/29/69/09/569296909.db2.gz CZQLPPUSDAIQMD-UHFFFAOYSA-N 0 0 424.397 6.749 50 0 HKAARN Cc1ccc2nc(-c3ccc(N4C(=O)c5cccc6cccc(c65)C4=O)cc3)sc2c1 ZINC000002207821 132249486 /nfs/dbraw/zinc/24/94/86/132249486.db2.gz ARNKETSFWBRIKN-UHFFFAOYSA-N 0 0 420.493 6.226 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002207934 569296908 /nfs/dbraw/zinc/29/69/08/569296908.db2.gz UAIPEPHGERFNRJ-NRFANRHFSA-N 0 0 400.569 5.189 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002207936 569296880 /nfs/dbraw/zinc/29/68/80/569296880.db2.gz UAIPEPHGERFNRJ-OAQYLSRUSA-N 0 0 400.569 5.189 50 0 HKAARN CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002207977 557326880 /nfs/dbraw/zinc/32/68/80/557326880.db2.gz XTTOVWKHXAMCIZ-UHFFFAOYSA-N 0 0 416.590 5.829 50 0 biogenic HKAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000002208079 569296918 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CCOc1ccccc1Oc1coc2cc(OCc3ccc(OC)cc3)ccc2c1=O ZINC000002210467 569306970 /nfs/dbraw/zinc/30/69/70/569306970.db2.gz BNTMYUPSPMIHSS-UHFFFAOYSA-N 0 0 418.445 5.572 50 0 HKAARN Cc1cc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)ccc1Br ZINC000002210468 569306917 /nfs/dbraw/zinc/30/69/17/569306917.db2.gz RZOBTKIGAXIUDM-UHFFFAOYSA-N 0 0 421.323 5.768 50 0 HKAARN CCCCOc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000002210478 557326946 /nfs/dbraw/zinc/32/69/46/557326946.db2.gz MZDBTJOASLUKQP-UHFFFAOYSA-N 0 0 406.960 5.859 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cc1Cl ZINC000002210489 557327024 /nfs/dbraw/zinc/32/70/24/557327024.db2.gz RPGTWJJBUBPZQN-UHFFFAOYSA-N 0 0 403.743 5.987 50 0 HKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000002210709 557326894 /nfs/dbraw/zinc/32/68/94/557326894.db2.gz DNCKPJUYXZZDLL-QPJJXVBHSA-N 0 0 404.926 5.788 50 0 HKAARN Fc1cccc(F)c1CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000002210760 569307190 /nfs/dbraw/zinc/30/71/90/569307190.db2.gz WPOSOODMNISCNM-UHFFFAOYSA-N 0 0 413.449 5.069 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4F)c32)CO1 ZINC000002210774 569307227 /nfs/dbraw/zinc/30/72/27/569307227.db2.gz KXYDQIPKCWPCMY-FQEVSTJZSA-N 0 0 420.600 6.086 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4F)c32)CO1 ZINC000002210776 569307191 /nfs/dbraw/zinc/30/71/91/569307191.db2.gz KXYDQIPKCWPCMY-HXUWFJFHSA-N 0 0 420.600 6.086 50 0 HKAARN O=P(Nc1ccc(Cl)cc1F)(Oc1ccccc1F)Oc1ccccc1F ZINC000002210804 560559213 /nfs/dbraw/zinc/55/92/13/560559213.db2.gz RWQFKBFPVVTOER-UHFFFAOYSA-N 0 0 413.719 6.435 50 0 HKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002210907 569282527 /nfs/dbraw/zinc/28/25/27/569282527.db2.gz ACPGTZLCPKCZJP-VMPITWQZSA-N 0 0 417.965 6.702 50 0 HKAARN Cc1nn2c(nc3c(c2N2CCC(Cc4ccccc4)CC2)CCC3)c1-c1ccccc1 ZINC000002210978 132249476 /nfs/dbraw/zinc/24/94/76/132249476.db2.gz GMKIFHQQATZJEP-UHFFFAOYSA-N 0 0 422.576 5.653 50 0 HKAARN Cc1oc2cc(OC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002211101 569307340 /nfs/dbraw/zinc/30/73/40/569307340.db2.gz BFTDTGGCGHTPLA-UHFFFAOYSA-N 0 0 408.812 5.780 50 0 HKAARN Cc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1F ZINC000002211214 569307446 /nfs/dbraw/zinc/30/74/46/569307446.db2.gz LKOJAALLCKYSFH-UHFFFAOYSA-N 0 0 410.496 6.381 50 0 HKAARN O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccc(-c2ccccc2)cc1 ZINC000002211419 557326950 /nfs/dbraw/zinc/32/69/50/557326950.db2.gz LFHGLRAWHVHWQN-JOCHJYFZSA-N 0 0 419.484 5.309 50 0 HKAARN O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccc(-c2ccccc2)cc1 ZINC000002211421 557327269 /nfs/dbraw/zinc/32/72/69/557327269.db2.gz LFHGLRAWHVHWQN-QFIPXVFZSA-N 0 0 419.484 5.309 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3Br)cc12 ZINC000002211574 557327207 /nfs/dbraw/zinc/32/72/07/557327207.db2.gz FCYFMYUTLAYUBZ-UHFFFAOYSA-N 0 0 412.312 5.410 50 0 aggregator HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000002211742 557327245 /nfs/dbraw/zinc/32/72/45/557327245.db2.gz OHOVLVVIBIREQL-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN Cc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)c(Cl)c1 ZINC000002211744 557327263 /nfs/dbraw/zinc/32/72/63/557327263.db2.gz BRWYKUVEZFQMSG-UHFFFAOYSA-N 0 0 416.500 5.564 50 0 HKAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 ZINC000002211894 132249577 /nfs/dbraw/zinc/24/95/77/132249577.db2.gz HIBLTOIITUPOPV-UHFFFAOYSA-N 0 0 421.503 5.560 50 0 HKAARN CSc1nc2sc3c(c2c(SCc2ccc(Cl)cc2)n1)CC(C)(C)OC3 ZINC000002211995 569307661 /nfs/dbraw/zinc/30/76/61/569307661.db2.gz AGTVERAHDWRQKT-UHFFFAOYSA-N 0 0 423.028 6.210 50 0 HKAARN O=c1c2ccccc2nc(SC/C=C/c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002212079 569282640 /nfs/dbraw/zinc/28/26/40/569282640.db2.gz DIYZKYDHOSYGSV-RMKNXTFCSA-N 0 0 404.922 5.845 50 0 HKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000002212176 569307658 /nfs/dbraw/zinc/30/76/58/569307658.db2.gz AFXDIHZSAKXZCK-UHFFFAOYSA-N 0 0 424.331 7.134 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002212267 569307636 /nfs/dbraw/zinc/30/76/36/569307636.db2.gz 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ZINC000002212590 557327248 /nfs/dbraw/zinc/32/72/48/557327248.db2.gz JGKZQEXGIUCFMK-FQEVSTJZSA-N 0 0 418.905 5.426 50 0 HKAARN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)Nc1ccccc1S2 ZINC000002212592 557327237 /nfs/dbraw/zinc/32/72/37/557327237.db2.gz JGKZQEXGIUCFMK-HXUWFJFHSA-N 0 0 418.905 5.426 50 0 HKAARN COc1ccc(-c2c3c(nc4sc(C(C)=O)c(N)c42)-c2ccccc2C3)cc1OC ZINC000002212683 569307802 /nfs/dbraw/zinc/30/78/02/569307802.db2.gz POKDWFCSOUBFBP-UHFFFAOYSA-N 0 0 416.502 5.337 50 0 HKAARN CC1(C)c2ss/c(=N\c3ccc(Cl)cc3)c2-c2cccc3c2N1C(=O)C3=O ZINC000002212864 557327232 /nfs/dbraw/zinc/32/72/32/557327232.db2.gz QNOGGIFDJOMAKO-PYCFMQQDSA-N 0 0 412.923 5.140 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(CSc3ccc(C)cc3)s2)cc1 ZINC000002213011 557327227 /nfs/dbraw/zinc/32/72/27/557327227.db2.gz QEBIGGBHWVJLPB-UHFFFAOYSA-N 0 0 400.529 5.182 50 0 HKAARN COC(=O)c1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000002213012 557327219 /nfs/dbraw/zinc/32/72/19/557327219.db2.gz XBDNBCQTDLLLTO-UHFFFAOYSA-N 0 0 420.848 5.479 50 0 HKAARN Fc1ccc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)cc1Cl ZINC000002213056 569307821 /nfs/dbraw/zinc/30/78/21/569307821.db2.gz WXAKECZGMNJEAY-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 ZINC000002213104 557327265 /nfs/dbraw/zinc/32/72/65/557327265.db2.gz BNUXRVMZQYIGGP-UHFFFAOYSA-N 0 0 419.304 5.010 50 0 HKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CN21 ZINC000002213206 569307885 /nfs/dbraw/zinc/30/78/85/569307885.db2.gz TXDAASGZGOCLDL-DTQJJDMLSA-N 0 0 406.529 5.203 50 0 HKAARN CSc1nc2sc3c(c2c(SCC(=O)c2ccccc2)n1)CC(C)(C)OC3 ZINC000002213209 569307828 /nfs/dbraw/zinc/30/78/28/569307828.db2.gz RZTSBTOUGQUVHL-UHFFFAOYSA-N 0 0 416.593 5.240 50 0 HKAARN CC(C)(C)c1cc(NCCc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002213269 569308391 /nfs/dbraw/zinc/30/83/91/569308391.db2.gz MCYBRCSKXXRGGZ-UHFFFAOYSA-N 0 0 404.945 6.002 50 0 HKAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C)n1)CCCC3 ZINC000002213282 569308383 /nfs/dbraw/zinc/30/83/83/569308383.db2.gz FZIZIKBFCGSUKG-UHFFFAOYSA-N 0 0 415.609 5.331 50 0 HKAARN CCOc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc32)cc1 ZINC000002213665 569308326 /nfs/dbraw/zinc/30/83/26/569308326.db2.gz ONCPYVAWFKDZOZ-UHFFFAOYSA-N 0 0 420.310 6.202 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000002213837 569308360 /nfs/dbraw/zinc/30/83/60/569308360.db2.gz QLHCAFYACKQSCX-UHFFFAOYSA-N 0 0 407.520 5.300 50 0 aggregator HKAARN COc1cc(OC)cc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)c1 ZINC000002214141 569309172 /nfs/dbraw/zinc/30/91/72/569309172.db2.gz FLMDVMIWUVBYGT-UHFFFAOYSA-N 0 0 416.868 5.306 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1Cl ZINC000002214257 557665474 /nfs/dbraw/zinc/66/54/74/557665474.db2.gz UUWADWISNJGNHC-UHFFFAOYSA-N 0 0 420.896 6.496 50 0 HKAARN Clc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1Cl ZINC000002214372 557327592 /nfs/dbraw/zinc/32/75/92/557327592.db2.gz WSOOAHRWUTWXEN-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN COc1ccccc1-c1nnc(SCc2cc(C)ccc2C)n1-c1ccccc1 ZINC000002214413 557327514 /nfs/dbraw/zinc/32/75/14/557327514.db2.gz KGRKQFHHQKALKV-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1CSc1nc2ccccc2[nH]1 ZINC000002214593 569309763 /nfs/dbraw/zinc/30/97/63/569309763.db2.gz FHADVQPXZQUWAV-HSZRJFAPSA-N 0 0 416.502 5.570 50 0 HKAARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1CSc1nc2ccccc2[nH]1 ZINC000002214595 569309735 /nfs/dbraw/zinc/30/97/35/569309735.db2.gz FHADVQPXZQUWAV-QHCPKHFHSA-N 0 0 416.502 5.570 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002214606 557327482 /nfs/dbraw/zinc/32/74/82/557327482.db2.gz CXHXLVLBMPSLEJ-UHFFFAOYSA-N 0 0 409.298 5.555 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 ZINC000002214725 557327492 /nfs/dbraw/zinc/32/74/92/557327492.db2.gz KPPWGRNMQKVIIJ-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000002214766 557327538 /nfs/dbraw/zinc/32/75/38/557327538.db2.gz HUJRVIMDOSRHGN-UHFFFAOYSA-N 0 0 424.136 5.900 50 0 HKAARN COC(=O)Cc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)c(C)c2oc1=O ZINC000002214806 557327596 /nfs/dbraw/zinc/32/75/96/557327596.db2.gz YEOGALSAYGOEPS-UHFFFAOYSA-N 0 0 421.276 5.011 50 0 HKAARN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000002214934 569309743 /nfs/dbraw/zinc/30/97/43/569309743.db2.gz DDIFAWXPGSRMNJ-UHFFFAOYSA-N 0 0 422.337 5.661 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc1 ZINC000002215000 557327509 /nfs/dbraw/zinc/32/75/09/557327509.db2.gz LIEMRAZYKCOIBP-UHFFFAOYSA-N 0 0 403.338 6.124 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3SCCc3ccccc3)c2c2c1CCC2 ZINC000002215239 569310442 /nfs/dbraw/zinc/31/04/42/569310442.db2.gz DNWAKXVQSNLHDE-UHFFFAOYSA-N 0 0 419.619 6.262 50 0 HKAARN CCC[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002215491 569310453 /nfs/dbraw/zinc/31/04/53/569310453.db2.gz OJKALGXZXFJERP-ZDUSSCGKSA-N 0 0 405.976 5.461 50 0 HKAARN CCC[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002215493 569310544 /nfs/dbraw/zinc/31/05/44/569310544.db2.gz OJKALGXZXFJERP-CYBMUJFWSA-N 0 0 405.976 5.461 50 0 HKAARN Cc1cc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(=O)c2cc1Cl ZINC000002215757 569310721 /nfs/dbraw/zinc/31/07/21/569310721.db2.gz OPCQIGPKFRBICK-UHFFFAOYSA-N 0 0 416.182 5.679 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000002215803 569310823 /nfs/dbraw/zinc/31/08/23/569310823.db2.gz GYVGHGZWFXPTHE-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000002215826 569310881 /nfs/dbraw/zinc/31/08/81/569310881.db2.gz WOZQKXFUZCGTKK-UHFFFAOYSA-N 0 0 419.481 5.323 50 0 HKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002215896 569310831 /nfs/dbraw/zinc/31/08/31/569310831.db2.gz JRGVRGNPNFBEEU-UHFFFAOYSA-N 0 0 410.631 6.333 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)oc2c(C)c1 ZINC000002215958 560730922 /nfs/dbraw/zinc/73/09/22/560730922.db2.gz ZZCFPWRIVXHKRN-UHFFFAOYSA-N 0 0 419.481 5.378 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 ZINC000002215991 569310832 /nfs/dbraw/zinc/31/08/32/569310832.db2.gz VAIDMGGCPSHIOX-UHFFFAOYSA-N 0 0 422.488 5.662 50 0 HKAARN CCCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 ZINC000002216590 569311277 /nfs/dbraw/zinc/31/12/77/569311277.db2.gz ACHYMGGVTBWCHA-UHFFFAOYSA-N 0 0 408.618 5.193 50 0 HKAARN COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000002216662 569311279 /nfs/dbraw/zinc/31/12/79/569311279.db2.gz SCGOBCXUGXEJRA-UHFFFAOYSA-N 0 0 405.841 5.318 50 0 aggregator HKAARN CC1(C)Cc2ccccc2-c2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c21 ZINC000002216791 569311280 /nfs/dbraw/zinc/31/12/80/569311280.db2.gz JBXBEPUHYOQQKM-UHFFFAOYSA-N 0 0 424.569 6.026 50 0 HKAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCc3ccc(F)cc3)n2)CCCC4)n1 ZINC000002216927 569311404 /nfs/dbraw/zinc/31/14/04/569311404.db2.gz MDDIAZIULSNBFN-UHFFFAOYSA-N 0 0 424.570 5.804 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3OC)no2)cc1 ZINC000002216956 569311443 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ZINC000002229666 569317541 /nfs/dbraw/zinc/31/75/41/569317541.db2.gz YNLMLPYTQDWCDF-UHFFFAOYSA-N 0 0 423.493 6.163 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1cccs1 ZINC000002229687 569317542 /nfs/dbraw/zinc/31/75/42/569317542.db2.gz JKKYXNFBKBPJDY-UHFFFAOYSA-N 0 0 408.910 5.656 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002229767 132249949 /nfs/dbraw/zinc/24/99/49/132249949.db2.gz LNBJJRVQEZWTFD-UHFFFAOYSA-N 0 0 411.617 6.761 50 0 HKAARN Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)n1 ZINC000002229868 132249960 /nfs/dbraw/zinc/24/99/60/132249960.db2.gz TYHHSJRGWDJSBH-UHFFFAOYSA-N 0 0 403.429 5.348 50 0 HKAARN Cc1cc2c(cc1C)N(C(=O)c1cccc(F)c1)C(C)(C)c1ssc(=S)c1-2 ZINC000002229880 132250015 /nfs/dbraw/zinc/25/00/15/132250015.db2.gz VPWMAMXANRWGDH-UHFFFAOYSA-N 0 0 415.580 6.858 50 0 HKAARN c1ccc(-c2onc3ccc(Sc4ccc5noc(-c6ccccc6)c5c4)cc32)cc1 ZINC000002229901 569317588 /nfs/dbraw/zinc/31/75/88/569317588.db2.gz LKUZMRMJARTKEG-UHFFFAOYSA-N 0 0 420.493 7.454 50 0 HKAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000002229909 569317553 /nfs/dbraw/zinc/31/75/53/569317553.db2.gz PRASFQPNUKWOJJ-UHFFFAOYSA-N 0 0 422.513 5.458 50 0 HKAARN CCCCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002229955 557329393 /nfs/dbraw/zinc/32/93/93/557329393.db2.gz HOUGNDNMDRSVPR-UHFFFAOYSA-N 0 0 422.638 6.676 50 0 biogenic HKAARN Cc1ccc(C(=O)N2c3c(F)cccc3-c3c(ssc3=S)C2(C)C)cc1 ZINC000002230082 132250047 /nfs/dbraw/zinc/25/00/47/132250047.db2.gz VYCDKHMSSZRBAR-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c3ccccc3n2C)cc1 ZINC000002230204 569317605 /nfs/dbraw/zinc/31/76/05/569317605.db2.gz WMXMOQISRCZTRZ-UHFFFAOYSA-N 0 0 402.881 5.420 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)c1=O ZINC000002230226 569319471 /nfs/dbraw/zinc/31/94/71/569319471.db2.gz FYHKTTLOYRRAGP-UHFFFAOYSA-N 0 0 415.880 5.114 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1C ZINC000002230450 569319744 /nfs/dbraw/zinc/31/97/44/569319744.db2.gz OUUCHXAFOKFSFD-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN COc1cc(OC)cc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 ZINC000002230781 569319716 /nfs/dbraw/zinc/31/97/16/569319716.db2.gz OHDUOXYCHBMJHV-UHFFFAOYSA-N 0 0 416.868 5.306 50 0 HKAARN CCCCc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002230858 569319702 /nfs/dbraw/zinc/31/97/02/569319702.db2.gz PKNDEKRBENIOND-UHFFFAOYSA-N 0 0 402.498 5.064 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4cccc(OC)c4)ccc23)cc1 ZINC000002231220 569060484 /nfs/dbraw/zinc/06/04/84/569060484.db2.gz GPFMCPYMWQFNKT-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4Cl)n21)CCC3 ZINC000002231284 557329397 /nfs/dbraw/zinc/32/93/97/557329397.db2.gz MKOOMGKDPKCLPB-UHFFFAOYSA-N 0 0 419.000 5.495 50 0 HKAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(Cl)n1 ZINC000002231412 569319742 /nfs/dbraw/zinc/31/97/42/569319742.db2.gz VSHGKNDPLBSZEX-UHFFFAOYSA-N 0 0 407.992 5.665 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3SCc3ccc(F)cc3)c2c2c1CCC2 ZINC000002231571 569319839 /nfs/dbraw/zinc/31/98/39/569319839.db2.gz AGKDEVCIAHTPNK-UHFFFAOYSA-N 0 0 423.582 6.358 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3F)no2)cc1 ZINC000002231633 569319964 /nfs/dbraw/zinc/31/99/64/569319964.db2.gz ADWGXVHYZRHHFP-UHFFFAOYSA-N 0 0 403.413 5.194 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000002231972 569320004 /nfs/dbraw/zinc/32/00/04/569320004.db2.gz LHHMBYVZFCKRMQ-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SC/C=C/c2ccccc2)cc1 ZINC000002231978 557329344 /nfs/dbraw/zinc/32/93/44/557329344.db2.gz VQTXSEAUOBUPFQ-JXMROGBWSA-N 0 0 400.503 5.200 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2Cl)cc1 ZINC000002232013 569319988 /nfs/dbraw/zinc/31/99/88/569319988.db2.gz HEIZIUCUBNGEIF-UHFFFAOYSA-N 0 0 420.896 5.113 50 0 HKAARN CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002232121 569319983 /nfs/dbraw/zinc/31/99/83/569319983.db2.gz IVNKTRVZVXXXMR-CQSZACIVSA-N 0 0 405.976 5.317 50 0 HKAARN CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002232123 569319928 /nfs/dbraw/zinc/31/99/28/569319928.db2.gz IVNKTRVZVXXXMR-AWEZNQCLSA-N 0 0 405.976 5.317 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002232255 569319939 /nfs/dbraw/zinc/31/99/39/569319939.db2.gz UVJSLEYKNXMHIP-IBGZPJMESA-N 0 0 405.976 5.461 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 ZINC000002232256 569319918 /nfs/dbraw/zinc/31/99/18/569319918.db2.gz UVJSLEYKNXMHIP-LJQANCHMSA-N 0 0 405.976 5.461 50 0 HKAARN CSc1nc2sc3c(c2c(SCc2ccccc2F)n1)CC(C)(C)OC3 ZINC000002232364 569319917 /nfs/dbraw/zinc/31/99/17/569319917.db2.gz FWQGOZSXLNSJBR-UHFFFAOYSA-N 0 0 406.573 5.696 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000002232529 557329306 /nfs/dbraw/zinc/32/93/06/557329306.db2.gz DKDOBTGKGQBYDI-UHFFFAOYSA-N 0 0 400.551 5.919 50 0 HKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002232631 291298678 /nfs/dbraw/zinc/29/86/78/291298678.db2.gz JJDNRKHILPYOIF-UHFFFAOYSA-N 0 0 410.473 5.313 50 0 HKAARN Cc1ccc(CSc2ncnc3c4c5c(c(CC(C)C)nc4sc32)CCC5)cc1 ZINC000002232916 569320057 /nfs/dbraw/zinc/32/00/57/569320057.db2.gz SUSNLXJXDUUGMP-UHFFFAOYSA-N 0 0 419.619 6.527 50 0 HKAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 ZINC000002232986 569320084 /nfs/dbraw/zinc/32/00/84/569320084.db2.gz CWCDBMKTONIIFJ-UHFFFAOYSA-N 0 0 416.525 5.116 50 0 HKAARN COc1ccc(Cc2nc3ccccc3c(Nc3ccc(Br)cc3)n2)cc1 ZINC000002233053 569320068 /nfs/dbraw/zinc/32/00/68/569320068.db2.gz GCWVXKRPTHXLMA-UHFFFAOYSA-N 0 0 420.310 5.735 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002233188 569320044 /nfs/dbraw/zinc/32/00/44/569320044.db2.gz FEHYHMQZFRXGIG-UHFFFAOYSA-N 0 0 422.488 5.130 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCc4cccc(F)c4)n21)CCCC3 ZINC000002233335 569320079 /nfs/dbraw/zinc/32/00/79/569320079.db2.gz DMDUACXMAVSORB-UHFFFAOYSA-N 0 0 416.572 5.371 50 0 HKAARN Cc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1Cl ZINC000002233545 557329686 /nfs/dbraw/zinc/32/96/86/557329686.db2.gz PGXKTMNQFHGYQD-UHFFFAOYSA-N 0 0 416.500 5.564 50 0 HKAARN CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 ZINC000002233715 569320077 /nfs/dbraw/zinc/32/00/77/569320077.db2.gz ZZYYXIKLCGHOPR-CQSZACIVSA-N 0 0 405.976 5.317 50 0 HKAARN CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 ZINC000002233716 569320063 /nfs/dbraw/zinc/32/00/63/569320063.db2.gz ZZYYXIKLCGHOPR-AWEZNQCLSA-N 0 0 405.976 5.317 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3F)s2)cc1 ZINC000002233778 557329577 /nfs/dbraw/zinc/32/95/77/557329577.db2.gz FZROLQQMDXSDRQ-UHFFFAOYSA-N 0 0 418.519 5.153 50 0 HKAARN C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000002233830 557329718 /nfs/dbraw/zinc/32/97/18/557329718.db2.gz ZWMIXXYQWLVEQO-JTQLQIEISA-N 0 0 409.298 5.629 50 0 HKAARN C[C@@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000002233832 557329620 /nfs/dbraw/zinc/32/96/20/557329620.db2.gz ZWMIXXYQWLVEQO-SNVBAGLBSA-N 0 0 409.298 5.629 50 0 HKAARN CCCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000002233880 569320407 /nfs/dbraw/zinc/32/04/07/569320407.db2.gz IBPGIJBGAXUKOD-UHFFFAOYSA-N 0 0 410.521 5.615 50 0 HKAARN O=C(CCc1ccccc1)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000002233987 569320339 /nfs/dbraw/zinc/32/03/39/569320339.db2.gz MHXFOUBFDZQTST-UHFFFAOYSA-N 0 0 404.560 6.160 50 0 HKAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1 ZINC000002234058 569320367 /nfs/dbraw/zinc/32/03/67/569320367.db2.gz ZYOJAPHMMVSHNW-SFHVURJKSA-N 0 0 411.527 5.170 50 0 HKAARN CCN(CC)C(=S)SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002234101 535486407 /nfs/dbraw/zinc/48/64/07/535486407.db2.gz JQRARQSMWSIZBZ-UHFFFAOYSA-N 0 0 423.028 5.829 50 0 HKAARN Cc1cccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 ZINC000002234250 569320488 /nfs/dbraw/zinc/32/04/88/569320488.db2.gz VWVJTGMDCQXFSM-UHFFFAOYSA-N 0 0 410.521 5.437 50 0 HKAARN COc1ccc(C2N=NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000002234319 557329729 /nfs/dbraw/zinc/32/97/29/557329729.db2.gz RQFBOJWIFOYZLW-UHFFFAOYSA-N 0 0 405.479 5.033 50 0 HKAARN Clc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000002234435 569320660 /nfs/dbraw/zinc/32/06/60/569320660.db2.gz TYUXSARWKYBULZ-UHFFFAOYSA-N 0 0 416.912 5.392 50 0 HKAARN COc1cc2c(cc1NC(=S)NC(=O)C=Cc1cccs1)oc1ccccc12 ZINC000002234484 569320559 /nfs/dbraw/zinc/32/05/59/569320559.db2.gz XDJXFZPSQNNMLM-CMDGGOBGSA-N 0 0 408.504 5.183 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002234493 569320561 /nfs/dbraw/zinc/32/05/61/569320561.db2.gz CWYAXJVRGCUTQU-UHFFFAOYSA-N 0 0 422.916 5.546 50 0 HKAARN CC(C)CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002234838 569321063 /nfs/dbraw/zinc/32/10/63/569321063.db2.gz PTNGEXBSWPKNJH-UHFFFAOYSA-N 0 0 419.619 6.924 50 0 HKAARN CC(=O)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002234907 569321130 /nfs/dbraw/zinc/32/11/30/569321130.db2.gz MIDCTIMGNCMVMV-UHFFFAOYSA-N 0 0 420.516 6.136 50 0 HKAARN CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3nc2-c2ccccc2C)c1 ZINC000002234937 569321122 /nfs/dbraw/zinc/32/11/22/569321122.db2.gz HFWOFLYPEXHTAB-UHFFFAOYSA-N 0 0 408.461 5.121 50 0 HKAARN COc1cc(OC)cc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 ZINC000002234963 569321048 /nfs/dbraw/zinc/32/10/48/569321048.db2.gz GVUHUFADLWLDKV-UHFFFAOYSA-N 0 0 416.868 5.306 50 0 HKAARN Cc1cc(C)cc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 ZINC000002234969 569321204 /nfs/dbraw/zinc/32/12/04/569321204.db2.gz ZWUQCNMNCRRUJI-UHFFFAOYSA-N 0 0 406.533 6.550 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 ZINC000002234977 569321243 /nfs/dbraw/zinc/32/12/43/569321243.db2.gz KBYSZERCYUWTNG-QFIPXVFZSA-N 0 0 414.436 5.002 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)n1 ZINC000002234981 569321327 /nfs/dbraw/zinc/32/13/27/569321327.db2.gz KBYSZERCYUWTNG-JOCHJYFZSA-N 0 0 414.436 5.002 50 0 HKAARN Cc1cc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)ccc1Br ZINC000002235119 569321230 /nfs/dbraw/zinc/32/12/30/569321230.db2.gz LEOMMHWUSXGFHL-UHFFFAOYSA-N 0 0 415.294 5.707 50 0 HKAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(N2CCCC2)n1 ZINC000002235156 569321287 /nfs/dbraw/zinc/32/12/87/569321287.db2.gz LLUZFQSHTWJZQZ-UHFFFAOYSA-N 0 0 418.591 5.717 50 0 HKAARN CN(C)C(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000002235236 557666156 /nfs/dbraw/zinc/66/61/56/557666156.db2.gz FXTAZWYKXIJPQR-UHFFFAOYSA-N 0 0 411.763 5.193 50 0 HKAARN Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)cccc1-c1nc2ccccc2o1 ZINC000002235237 560730921 /nfs/dbraw/zinc/73/09/21/560730921.db2.gz NTMHETDSZKSXCF-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN CCCSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 ZINC000002235238 569321441 /nfs/dbraw/zinc/32/14/41/569321441.db2.gz GDHJABGQQFTBOY-UHFFFAOYSA-N 0 0 414.987 6.040 50 0 HKAARN CCCCSc1nc2sc3c(c2c(NCc2ccco2)n1)C[C@@](C)(CC)OC3 ZINC000002235307 569321392 /nfs/dbraw/zinc/32/13/92/569321392.db2.gz QZEFQIROSLTXPP-OAQYLSRUSA-N 0 0 417.600 6.030 50 0 HKAARN CCCCSc1nc2sc3c(c2c(NCc2ccco2)n1)C[C@](C)(CC)OC3 ZINC000002235308 569321388 /nfs/dbraw/zinc/32/13/88/569321388.db2.gz QZEFQIROSLTXPP-NRFANRHFSA-N 0 0 417.600 6.030 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(C)cc1)C(=O)C2 ZINC000002235474 132250173 /nfs/dbraw/zinc/25/01/73/132250173.db2.gz AYOUWPQWMQEEMZ-AREMUKBSSA-N 0 0 401.506 5.471 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(C)cc1)C(=O)C2 ZINC000002235476 132250211 /nfs/dbraw/zinc/25/02/11/132250211.db2.gz AYOUWPQWMQEEMZ-SANMLTNESA-N 0 0 401.506 5.471 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4)c23)CO1 ZINC000002235833 569321541 /nfs/dbraw/zinc/32/15/41/569321541.db2.gz ACWFKHQWWZNZNQ-FQEVSTJZSA-N 0 0 402.610 5.947 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4)c23)CO1 ZINC000002235835 569321525 /nfs/dbraw/zinc/32/15/25/569321525.db2.gz ACWFKHQWWZNZNQ-HXUWFJFHSA-N 0 0 402.610 5.947 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1ccccc1)occ(-c1ccccc1)c2=O ZINC000002235983 569321532 /nfs/dbraw/zinc/32/15/32/569321532.db2.gz ZJKPOBCBBSDPJK-UHFFFAOYSA-N 0 0 412.529 7.162 50 0 HKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Oc3ccc4ccccc4c3)n2)cc1 ZINC000002236057 569321594 /nfs/dbraw/zinc/32/15/94/569321594.db2.gz RUNRRJRYQFKFIY-UHFFFAOYSA-N 0 0 406.485 7.030 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccc(F)cc1 ZINC000002236391 569321915 /nfs/dbraw/zinc/32/19/15/569321915.db2.gz CUBAVMBMVHOYHD-UHFFFAOYSA-N 0 0 406.844 5.250 50 0 HKAARN Brc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000002236474 557329890 /nfs/dbraw/zinc/32/98/90/557329890.db2.gz BHRKVRFCNRSCSH-UHFFFAOYSA-N 0 0 423.339 5.384 50 0 HKAARN Clc1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000002236521 557329965 /nfs/dbraw/zinc/32/99/65/557329965.db2.gz WNNJSJNTBYKONO-UHFFFAOYSA-N 0 0 415.008 6.929 50 0 HKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Oc3cccc4ccccc43)n2)cc1 ZINC000002236543 569321949 /nfs/dbraw/zinc/32/19/49/569321949.db2.gz KUTUJOPRQOBASH-UHFFFAOYSA-N 0 0 406.485 7.030 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SC/C=C/c4ccccc4)n21)CCCC3 ZINC000002236843 569321931 /nfs/dbraw/zinc/32/19/31/569321931.db2.gz UMLTZVAIUXBGSX-JXMROGBWSA-N 0 0 424.620 5.745 50 0 HKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000002237002 569321927 /nfs/dbraw/zinc/32/19/27/569321927.db2.gz MRHCEIATTRRBQG-UHFFFAOYSA-N 0 0 424.331 7.134 50 0 HKAARN Cc1ccc(OCc2nnc(SCc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000002237149 569322064 /nfs/dbraw/zinc/32/20/64/569322064.db2.gz NNPVNYNRJABBEC-UHFFFAOYSA-N 0 0 401.535 5.755 50 0 HKAARN Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002237211 557329913 /nfs/dbraw/zinc/32/99/13/557329913.db2.gz DDVZDLQWYYSEKV-UHFFFAOYSA-N 0 0 412.345 6.533 50 0 HKAARN CC(=O)Nc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn42)CCCC3)cc1 ZINC000002237269 557329968 /nfs/dbraw/zinc/32/99/68/557329968.db2.gz QHWFKNQEFPLVHC-UHFFFAOYSA-N 0 0 411.509 5.286 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000002237488 557329955 /nfs/dbraw/zinc/32/99/55/557329955.db2.gz OUHNHBTWVXQXBZ-UHFFFAOYSA-N 0 0 402.563 5.688 50 0 biogenic HKAARN CCn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002237549 569322166 /nfs/dbraw/zinc/32/21/66/569322166.db2.gz XCGKGZWNINADFQ-UHFFFAOYSA-N 0 0 416.590 5.981 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(Cl)cc5)c4cc32)cc1 ZINC000002238106 569321784 /nfs/dbraw/zinc/32/17/84/569321784.db2.gz KEEMXGQHCFDBFD-UHFFFAOYSA-N 0 0 402.833 6.535 50 0 HKAARN COc1ccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3)s2)cc1 ZINC000002238193 557329958 /nfs/dbraw/zinc/32/99/58/557329958.db2.gz ZLANGNNPVCMGNZ-UHFFFAOYSA-N 0 0 420.947 5.278 50 0 HKAARN Nc1c2ccc(-c3ccco3)nc2sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002238201 569321818 /nfs/dbraw/zinc/32/18/18/569321818.db2.gz AVRBHSFSLHDQTB-UHFFFAOYSA-N 0 0 404.278 5.698 50 0 HKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002238274 569322495 /nfs/dbraw/zinc/32/24/95/569322495.db2.gz MGMWBSJXXGPTSX-UHFFFAOYSA-N 0 0 420.394 5.843 50 0 HKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F ZINC000002238399 557330247 /nfs/dbraw/zinc/33/02/47/557330247.db2.gz JHICNUWQEJPSDV-FTJBHMTQSA-N 0 0 411.561 5.646 50 0 HKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F ZINC000002238401 557330230 /nfs/dbraw/zinc/33/02/30/557330230.db2.gz JHICNUWQEJPSDV-CLJLJLNGSA-N 0 0 411.561 5.646 50 0 HKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000002238402 557330276 /nfs/dbraw/zinc/33/02/76/557330276.db2.gz JHICNUWQEJPSDV-UIOOFZCWSA-N 0 0 411.561 5.646 50 0 HKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F ZINC000002238404 557330254 /nfs/dbraw/zinc/33/02/54/557330254.db2.gz JHICNUWQEJPSDV-IZZNHLLZSA-N 0 0 411.561 5.646 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1N1CCCC1 ZINC000002238444 569322564 /nfs/dbraw/zinc/32/25/64/569322564.db2.gz QBTRIMSNRRGHNW-CSKARUKUSA-N 0 0 420.365 5.120 50 0 HKAARN FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000002238457 569322469 /nfs/dbraw/zinc/32/24/69/569322469.db2.gz HJQWFXLWVPORSO-UHFFFAOYSA-N 0 0 406.367 5.534 50 0 HKAARN CSc1nc2sc3c(c2c(SCc2ccc(F)cc2)n1)CC(C)(C)OC3 ZINC000002238693 569322536 /nfs/dbraw/zinc/32/25/36/569322536.db2.gz DMUAAIVPJCGSFV-UHFFFAOYSA-N 0 0 406.573 5.696 50 0 HKAARN Cc1nn2c(nc(C)cc2SCC(=O)Nc2ccc(C)c(C)c2)c1-c1ccccc1 ZINC000002238824 569322523 /nfs/dbraw/zinc/32/25/23/569322523.db2.gz XQNWFPLIQJJZEG-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN COc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1OC ZINC000002238827 569322576 /nfs/dbraw/zinc/32/25/76/569322576.db2.gz AGOIEYKHCGLGOB-UHFFFAOYSA-N 0 0 416.868 5.306 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000002239020 557330271 /nfs/dbraw/zinc/33/02/71/557330271.db2.gz OKLMWHWTUAZTGX-UHFFFAOYSA-N 0 0 409.298 5.555 50 0 HKAARN CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3nc2-c2ccc(C)cc2)c1 ZINC000002239073 569322474 /nfs/dbraw/zinc/32/24/74/569322474.db2.gz HKWRZROMKFGXDG-UHFFFAOYSA-N 0 0 408.461 5.121 50 0 HKAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CCN21 ZINC000002239107 569322577 /nfs/dbraw/zinc/32/25/77/569322577.db2.gz KHRYABJOOCGWQA-GLZFBQTRSA-N 0 0 420.556 5.593 50 0 HKAARN Cc1cc(Br)ccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000002239249 569322696 /nfs/dbraw/zinc/32/26/96/569322696.db2.gz VCYOEAYJJAYCSD-UHFFFAOYSA-N 0 0 405.255 5.300 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)cc1 ZINC000002239367 557330268 /nfs/dbraw/zinc/33/02/68/557330268.db2.gz UKDARBDOGAZOGN-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3)c1ccccc1 ZINC000002239764 569322618 /nfs/dbraw/zinc/32/26/18/569322618.db2.gz IUPMTASWHIRFCH-UHFFFAOYSA-N 0 0 424.591 5.427 50 0 HKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(F)c1 ZINC000002239892 132250233 /nfs/dbraw/zinc/25/02/33/132250233.db2.gz ATFBGQMHCSCJOT-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2cc1O ZINC000002239907 569322792 /nfs/dbraw/zinc/32/27/92/569322792.db2.gz GFWPNAANXOIFAX-UHFFFAOYSA-N 0 0 405.519 6.412 50 0 biogenic HKAARN CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002239961 557330264 /nfs/dbraw/zinc/33/02/64/557330264.db2.gz MBHXBPVOEJLBGK-UHFFFAOYSA-N 0 0 402.563 5.439 50 0 biogenic HKAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000002240511 557330279 /nfs/dbraw/zinc/33/02/79/557330279.db2.gz NUQOYKQKHCFKCQ-UHFFFAOYSA-N 0 0 421.909 5.204 50 0 HKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 ZINC000002240658 569323586 /nfs/dbraw/zinc/32/35/86/569323586.db2.gz YKEAAVGWXLUEEU-UHFFFAOYSA-N 0 0 415.294 5.707 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccc(F)cc1 ZINC000002241157 569323632 /nfs/dbraw/zinc/32/36/32/569323632.db2.gz IEJVLLDTZXZHSH-UHFFFAOYSA-N 0 0 420.871 5.733 50 0 HKAARN CC1(C)Cc2nc3oc4c(ncnc4SCc4ccc(Cl)cc4)c3cc2CO1 ZINC000002241181 569323620 /nfs/dbraw/zinc/32/36/20/569323620.db2.gz QNKUYGARIDILKY-UHFFFAOYSA-N 0 0 411.914 5.568 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002241270 569323648 /nfs/dbraw/zinc/32/36/48/569323648.db2.gz PAYMWTBZZQODOK-UHFFFAOYSA-N 0 0 416.546 5.817 50 0 HKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000002241322 569323594 /nfs/dbraw/zinc/32/35/94/569323594.db2.gz PFVJVHQBNJGCFN-UHFFFAOYSA-N 0 0 423.516 5.385 50 0 HKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000002241447 557330449 /nfs/dbraw/zinc/33/04/49/557330449.db2.gz FVQIWABLSYHZPO-JXMROGBWSA-N 0 0 417.509 5.888 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 ZINC000002242043 557330504 /nfs/dbraw/zinc/33/05/04/557330504.db2.gz XMJSEHBFYLTHJB-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1C ZINC000002242056 557330512 /nfs/dbraw/zinc/33/05/12/557330512.db2.gz XXUFXJDUJAKGQP-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C)cc1 ZINC000002242089 569323589 /nfs/dbraw/zinc/32/35/89/569323589.db2.gz GNCFGFXUSOJAAD-UHFFFAOYSA-N 0 0 416.908 5.903 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000002242214 569323656 /nfs/dbraw/zinc/32/36/56/569323656.db2.gz NHCZIPVILWEPTO-UHFFFAOYSA-N 0 0 423.299 5.765 50 0 HKAARN Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 ZINC000002242354 557330453 /nfs/dbraw/zinc/33/04/53/557330453.db2.gz SXDDRQHGZSZACW-UHFFFAOYSA-N 0 0 419.525 5.895 50 0 HKAARN CCSc1nc2sc3c(c2c(NCCc2ccccc2)n1)C[C@](C)(CC)OC3 ZINC000002244838 569323824 /nfs/dbraw/zinc/32/38/24/569323824.db2.gz BUUDIYSFIZZBPS-QFIPXVFZSA-N 0 0 413.612 5.699 50 0 HKAARN CCSc1nc2sc3c(c2c(NCCc2ccccc2)n1)C[C@@](C)(CC)OC3 ZINC000002244839 569323860 /nfs/dbraw/zinc/32/38/60/569323860.db2.gz BUUDIYSFIZZBPS-JOCHJYFZSA-N 0 0 413.612 5.699 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccc(Cl)cc3Cl)cc12 ZINC000002244844 557330712 /nfs/dbraw/zinc/33/07/12/557330712.db2.gz IDZPKOAPWGHOAO-UHFFFAOYSA-N 0 0 416.333 5.632 50 0 HKAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 ZINC000002244913 569323829 /nfs/dbraw/zinc/32/38/29/569323829.db2.gz PTJHYSRNQDMGAW-MJGOQNOKSA-N 0 0 419.912 5.175 50 0 HKAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 ZINC000002244914 569323863 /nfs/dbraw/zinc/32/38/63/569323863.db2.gz PTJHYSRNQDMGAW-IEBWSBKVSA-N 0 0 419.912 5.175 50 0 HKAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 ZINC000002244915 569323850 /nfs/dbraw/zinc/32/38/50/569323850.db2.gz PTJHYSRNQDMGAW-HKUYNNGSSA-N 0 0 419.912 5.175 50 0 HKAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 ZINC000002244916 569323856 /nfs/dbraw/zinc/32/38/56/569323856.db2.gz PTJHYSRNQDMGAW-PKOBYXMFSA-N 0 0 419.912 5.175 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002245070 569323836 /nfs/dbraw/zinc/32/38/36/569323836.db2.gz DGGGJQSNUVFCTN-UHFFFAOYSA-N 0 0 408.889 5.073 50 0 HKAARN CCCCc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002245075 569323830 /nfs/dbraw/zinc/32/38/30/569323830.db2.gz FVDPBVMLFUKUTE-UHFFFAOYSA-N 0 0 412.924 6.632 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12 ZINC000002245137 560585127 /nfs/dbraw/zinc/58/51/27/560585127.db2.gz NZQFDYGYJJNRRS-UHFFFAOYSA-N 0 0 407.926 5.642 50 0 HKAARN CCCCCCc1cc(Br)c(CCCCCC)cc1Br ZINC000002245230 557330650 /nfs/dbraw/zinc/33/06/50/557330650.db2.gz PDYWYSUEPGNSRY-UHFFFAOYSA-N 0 0 404.230 7.457 50 0 HKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000002245482 569324165 /nfs/dbraw/zinc/32/41/65/569324165.db2.gz VNAXFZVECPRTLE-UHFFFAOYSA-N 0 0 405.288 6.251 50 0 HKAARN CCCCc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002245903 569324150 /nfs/dbraw/zinc/32/41/50/569324150.db2.gz DRQDULMLTJEWDM-UHFFFAOYSA-N 0 0 416.525 5.311 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1Cl ZINC000002246402 569324218 /nfs/dbraw/zinc/32/42/18/569324218.db2.gz PBNXOWPDOOEFRL-UHFFFAOYSA-N 0 0 423.827 5.717 50 0 HKAARN CCc1cccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 ZINC000002246517 557676881 /nfs/dbraw/zinc/67/68/81/557676881.db2.gz VVFDCCODLCFJGI-UHFFFAOYSA-N 0 0 406.533 6.496 50 0 HKAARN COc1ccccc1NC(=O)C[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 ZINC000002246656 569324225 /nfs/dbraw/zinc/32/42/25/569324225.db2.gz KXUHDSPORWBIOU-HSZRJFAPSA-N 0 0 403.522 5.952 50 0 HKAARN COc1ccccc1NC(=O)C[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 ZINC000002246657 569324239 /nfs/dbraw/zinc/32/42/39/569324239.db2.gz KXUHDSPORWBIOU-QHCPKHFHSA-N 0 0 403.522 5.952 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1Cl ZINC000002246691 569324234 /nfs/dbraw/zinc/32/42/34/569324234.db2.gz YACQTFJJORKIMI-UHFFFAOYSA-N 0 0 419.864 5.507 50 0 HKAARN CC(C)CCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002246731 569324205 /nfs/dbraw/zinc/32/42/05/569324205.db2.gz APGHXDRLZXUOPA-UHFFFAOYSA-N 0 0 422.916 5.071 50 0 HKAARN CC(C)CCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 ZINC000002246744 569324232 /nfs/dbraw/zinc/32/42/32/569324232.db2.gz VFWRJHFXLUWEFS-UHFFFAOYSA-N 0 0 406.530 5.260 50 0 HKAARN CC(C)Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002246811 569324212 /nfs/dbraw/zinc/32/42/12/569324212.db2.gz UEQZJSPIXFAFBW-UHFFFAOYSA-N 0 0 424.548 6.004 50 0 HKAARN CCCCc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 ZINC000002246863 569324214 /nfs/dbraw/zinc/32/42/14/569324214.db2.gz SBVBYLRZBCGJBO-UHFFFAOYSA-N 0 0 412.924 6.632 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000002246960 569324241 /nfs/dbraw/zinc/32/42/41/569324241.db2.gz KOIWHXCJVSVWCW-SFHVURJKSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)sc1C ZINC000002246961 569324235 /nfs/dbraw/zinc/32/42/35/569324235.db2.gz KOIWHXCJVSVWCW-GOSISDBHSA-N 0 0 422.893 5.270 50 0 HKAARN CC(C)CCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 ZINC000002247079 569324372 /nfs/dbraw/zinc/32/43/72/569324372.db2.gz COPCDOGJIJJAOW-UHFFFAOYSA-N 0 0 408.889 5.012 50 0 HKAARN COc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1Cl ZINC000002247097 569324374 /nfs/dbraw/zinc/32/43/74/569324374.db2.gz VJZCXCBNADNERJ-UHFFFAOYSA-N 0 0 400.869 5.606 50 0 HKAARN Brc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1 ZINC000002247099 569324332 /nfs/dbraw/zinc/32/43/32/569324332.db2.gz YCLAVXLGCMEXOS-UHFFFAOYSA-N 0 0 415.294 5.457 50 0 HKAARN CCCCCCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002247133 569324373 /nfs/dbraw/zinc/32/43/73/569324373.db2.gz KUBJMCAYNBHPPG-UHFFFAOYSA-N 0 0 419.573 5.367 50 0 HKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccccc3OC)cc2oc1=O ZINC000002247158 569324356 /nfs/dbraw/zinc/32/43/56/569324356.db2.gz FBWZPIZDOSEREJ-UHFFFAOYSA-N 0 0 414.929 6.465 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002247295 569324339 /nfs/dbraw/zinc/32/43/39/569324339.db2.gz WYFJYIVHDWXDRP-WUKNDPDISA-N 0 0 417.472 5.110 50 0 HKAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002247413 569324350 /nfs/dbraw/zinc/32/43/50/569324350.db2.gz LUHVXURXTKXALD-IBGZPJMESA-N 0 0 402.475 5.123 50 0 HKAARN 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534935249 /nfs/dbraw/zinc/93/52/49/534935249.db2.gz LVFWTSBBRRZKNJ-HSZRJFAPSA-N 0 0 410.608 5.344 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CSC1=NCCS1 ZINC000002270153 132250948 /nfs/dbraw/zinc/25/09/48/132250948.db2.gz LVFWTSBBRRZKNJ-QHCPKHFHSA-N 0 0 410.608 5.344 50 0 HKAARN Cc1c2ccc(OCc3c(F)cccc3Cl)cc2oc(=O)c1Cc1ccccc1 ZINC000002270171 557333197 /nfs/dbraw/zinc/33/31/97/557333197.db2.gz BQFFAVZBEXTDEN-UHFFFAOYSA-N 0 0 408.856 6.064 50 0 HKAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl ZINC000002270204 132250951 /nfs/dbraw/zinc/25/09/51/132250951.db2.gz PLQCDWYIHIHECJ-AWEZNQCLSA-N 0 0 413.970 6.886 50 0 HKAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl ZINC000002270205 132250958 /nfs/dbraw/zinc/25/09/58/132250958.db2.gz PLQCDWYIHIHECJ-CQSZACIVSA-N 0 0 413.970 6.886 50 0 HKAARN Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000002270227 569326545 /nfs/dbraw/zinc/32/65/45/569326545.db2.gz GVBFYEFMPAVMIF-UHFFFAOYSA-N 0 0 401.680 7.049 50 0 HKAARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc(Cl)c1 ZINC000002270263 132250965 /nfs/dbraw/zinc/25/09/65/132250965.db2.gz AUNFMYLYZRLDPZ-SANMLTNESA-N 0 0 403.953 6.784 50 0 HKAARN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc(Cl)c1 ZINC000002270264 132251015 /nfs/dbraw/zinc/25/10/15/132251015.db2.gz AUNFMYLYZRLDPZ-AREMUKBSSA-N 0 0 403.953 6.784 50 0 HKAARN O=C1CCCC[C@@H]1[C@@H](Nc1ccccc1I)c1ccccc1F ZINC000002270265 569326519 /nfs/dbraw/zinc/32/65/19/569326519.db2.gz SPVGWJWUNDFZNC-LIRRHRJNSA-N 0 0 423.269 5.343 50 0 HKAARN O=C1CCCC[C@@H]1[C@H](Nc1ccccc1I)c1ccccc1F ZINC000002270266 569326535 /nfs/dbraw/zinc/32/65/35/569326535.db2.gz SPVGWJWUNDFZNC-IFXJQAMLSA-N 0 0 423.269 5.343 50 0 HKAARN O=C1CCCC[C@H]1[C@@H](Nc1ccccc1I)c1ccccc1F ZINC000002270267 569326515 /nfs/dbraw/zinc/32/65/15/569326515.db2.gz SPVGWJWUNDFZNC-KUHUBIRLSA-N 0 0 423.269 5.343 50 0 HKAARN O=C1CCCC[C@H]1[C@H](Nc1ccccc1I)c1ccccc1F ZINC000002270268 569326529 /nfs/dbraw/zinc/32/65/29/569326529.db2.gz 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C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002270323 132251020 /nfs/dbraw/zinc/25/10/20/132251020.db2.gz NLSFUJIQIPAOBK-BTYIYWSLSA-N 0 0 411.332 6.586 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002270324 132250994 /nfs/dbraw/zinc/25/09/94/132250994.db2.gz NLSFUJIQIPAOBK-VFNWGFHPSA-N 0 0 411.332 6.586 50 0 HKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002270414 534936096 /nfs/dbraw/zinc/93/60/96/534936096.db2.gz QMJANZLGPKOJSM-RUZDIDTESA-N 0 0 424.371 7.129 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000002270415 132251177 /nfs/dbraw/zinc/25/11/77/132251177.db2.gz QMJANZLGPKOJSM-VWLOTQADSA-N 0 0 424.371 7.129 50 0 HKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)cc(Cl)c1)C(C)(C)N2 ZINC000002270477 557333301 /nfs/dbraw/zinc/33/33/01/557333301.db2.gz GUPDYVUFOQDIBG-PYCFMQQDSA-N 0 0 423.390 6.685 50 0 HKAARN CCCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002270555 569326528 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CCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002270760 569326511 /nfs/dbraw/zinc/32/65/11/569326511.db2.gz JIMXMNFOCZAVMZ-UHFFFAOYSA-N 0 0 412.603 5.891 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002270849 569326540 /nfs/dbraw/zinc/32/65/40/569326540.db2.gz HHEOOMBCUFUNCG-HNNXBMFYSA-N 0 0 412.624 6.100 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002270850 569326599 /nfs/dbraw/zinc/32/65/99/569326599.db2.gz HHEOOMBCUFUNCG-OAHLLOKOSA-N 0 0 412.624 6.100 50 0 HKAARN CCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CC(C)(C)OC3 ZINC000002270862 569326682 /nfs/dbraw/zinc/32/66/82/569326682.db2.gz JHCIZTFAVNJRLP-UHFFFAOYSA-N 0 0 412.603 6.036 50 0 HKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CCC2)cc1 ZINC000002270917 569326680 /nfs/dbraw/zinc/32/66/80/569326680.db2.gz ZFGHXEFNMRQQLZ-UHFFFAOYSA-N 0 0 404.560 5.537 50 0 HKAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCC3 ZINC000002270919 557333307 /nfs/dbraw/zinc/33/33/07/557333307.db2.gz 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CCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002271643 569327004 /nfs/dbraw/zinc/32/70/04/569327004.db2.gz FMHYUZAZPGXFOX-UHFFFAOYSA-N 0 0 418.566 5.970 50 0 HKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000002271669 535096877 /nfs/dbraw/zinc/09/68/77/535096877.db2.gz IORWMPBAYOYDKP-UHFFFAOYSA-N 0 0 419.596 7.255 50 0 HKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCC(C)C)sc2c3CCCCC2)cc1 ZINC000002271737 557333278 /nfs/dbraw/zinc/33/32/78/557333278.db2.gz HVNKVQUZGIABNK-UHFFFAOYSA-N 0 0 412.624 6.163 50 0 HKAARN CCOc1ccc(C2=C(C)SC3=NNC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000002271795 557333210 /nfs/dbraw/zinc/33/32/10/557333210.db2.gz VXICFTMMCPJXMK-UHFFFAOYSA-N 0 0 418.349 6.002 50 0 HKAARN CCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002271886 569327008 /nfs/dbraw/zinc/32/70/08/569327008.db2.gz JLIFGQAMUBBSKQ-UHFFFAOYSA-N 0 0 421.591 6.260 50 0 HKAARN CC(C)(C)c1cc2c(oc3c2c(O)c(C(C)(C)C)cc3C(C)(C)C)c(C(C)(C)C)c1 ZINC000002272276 569327392 /nfs/dbraw/zinc/32/73/92/569327392.db2.gz KIOBKCWAQFZNHH-UHFFFAOYSA-N 0 0 408.626 8.482 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2Cc1ccc(Cl)cc1 ZINC000002272279 132251174 /nfs/dbraw/zinc/25/11/74/132251174.db2.gz YTIKLQBEASJMGJ-UHFFFAOYSA-N 0 0 404.025 7.423 50 0 HKAARN CCc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002272339 569327513 /nfs/dbraw/zinc/32/75/13/569327513.db2.gz FGSPUNLNHWXWHU-UHFFFAOYSA-N 0 0 404.539 5.265 50 0 HKAARN CC(C)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002272466 569327466 /nfs/dbraw/zinc/32/74/66/569327466.db2.gz XWGKBKYRJMXKGC-UHFFFAOYSA-N 0 0 418.566 5.826 50 0 HKAARN CC1=CC(C)(C)N(C(=S)NC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000002272524 132251225 /nfs/dbraw/zinc/25/12/25/132251225.db2.gz CPMJPELVMJDZEE-UHFFFAOYSA-N 0 0 415.356 5.166 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCCC2 ZINC000002272573 557333253 /nfs/dbraw/zinc/33/32/53/557333253.db2.gz BIQDHEQJBMNNCR-UHFFFAOYSA-N 0 0 422.344 5.209 50 0 HKAARN 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VMDNPVXUKWKFDB-UHFFFAOYSA-N 0 0 410.264 5.357 50 0 HKAARN CCCCc1nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1COC(C)(C)C2 ZINC000002273171 569327594 /nfs/dbraw/zinc/32/75/94/569327594.db2.gz GCKMQWYWZHTUFE-UHFFFAOYSA-N 0 0 412.917 5.488 50 0 HKAARN CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000002273231 569327622 /nfs/dbraw/zinc/32/76/22/569327622.db2.gz LXWZXEJDKYWBOW-UHFFFAOYSA-N 0 0 424.669 7.879 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)c1cccc(F)c1)C(C)(C)c1ssc(=S)c1-2 ZINC000002273236 132251181 /nfs/dbraw/zinc/25/11/81/132251181.db2.gz YIOCLKZDUJQCLZ-UHFFFAOYSA-N 0 0 401.553 6.549 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002273258 569327612 /nfs/dbraw/zinc/32/76/12/569327612.db2.gz UPMIRXWFXMWQSY-UHFFFAOYSA-N 0 0 402.497 7.086 50 0 HKAARN O=C(NC1c2ccccc2Oc2ccccc21)NC1c2ccccc2Oc2ccccc21 ZINC000002273489 557333515 /nfs/dbraw/zinc/33/35/15/557333515.db2.gz XWEYDSIYIFOLQK-UHFFFAOYSA-N 0 0 420.468 6.076 50 0 HKAARN CN1C(=O)N(c2cccc3ccccc32)[C@H](NC(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000002273717 560559526 /nfs/dbraw/zinc/55/95/26/560559526.db2.gz TYTGFPFNRFDGQO-FQEVSTJZSA-N 0 0 422.916 5.291 50 0 HKAARN CN1C(=O)N(c2cccc3ccccc32)[C@@H](NC(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000002273718 569327619 /nfs/dbraw/zinc/32/76/19/569327619.db2.gz TYTGFPFNRFDGQO-HXUWFJFHSA-N 0 0 422.916 5.291 50 0 HKAARN Cc1ccc(C(F)(F)F)cc1N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl ZINC000002274083 569327591 /nfs/dbraw/zinc/32/75/91/569327591.db2.gz QYDHRDAKTQYWCX-CYBMUJFWSA-N 0 0 415.626 5.145 50 0 HKAARN Cc1ccc(C(F)(F)F)cc1N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl ZINC000002274084 569327601 /nfs/dbraw/zinc/32/76/01/569327601.db2.gz QYDHRDAKTQYWCX-ZDUSSCGKSA-N 0 0 415.626 5.145 50 0 HKAARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002274265 569327643 /nfs/dbraw/zinc/32/76/43/569327643.db2.gz ILDJZMKVYKGTOE-UHFFFAOYSA-N 0 0 407.513 5.152 50 0 HKAARN COC(=O)c1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1C(=O)OC ZINC000002274398 569327638 /nfs/dbraw/zinc/32/76/38/569327638.db2.gz CCAPLQBYHSQJGV-UHFFFAOYSA-N 0 0 413.429 5.249 50 0 HKAARN Cc1ccc2[nH]c(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 ZINC000002274415 569327652 /nfs/dbraw/zinc/32/76/52/569327652.db2.gz JMXMHKCMUUCHTP-UHFFFAOYSA-N 0 0 410.583 6.147 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Br ZINC000002274642 132251238 /nfs/dbraw/zinc/25/12/38/132251238.db2.gz JHHRQLWHMXHIGU-HRAATJIYSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Br ZINC000002274643 132251211 /nfs/dbraw/zinc/25/12/11/132251211.db2.gz JHHRQLWHMXHIGU-IIBYNOLFSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Br ZINC000002274644 132251199 /nfs/dbraw/zinc/25/11/99/132251199.db2.gz JHHRQLWHMXHIGU-KKSFZXQISA-N 0 0 421.338 6.041 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Br ZINC000002274645 132251257 /nfs/dbraw/zinc/25/12/57/132251257.db2.gz JHHRQLWHMXHIGU-IERDGZPVSA-N 0 0 421.338 6.041 50 0 HKAARN CCCCc1nc2sc3c(ncnc3NC3CCCCC3)c2c2c1COC(C)(C)C2 ZINC000002274748 569327732 /nfs/dbraw/zinc/32/77/32/569327732.db2.gz NKNUNGXHLTZGRO-UHFFFAOYSA-N 0 0 424.614 6.178 50 0 HKAARN CCCCc1nc2sc3c(ncnc3N3CCCCC3)c2c2c1COC(C)(C)C2 ZINC000002274793 132251214 /nfs/dbraw/zinc/25/12/14/132251214.db2.gz KMBDBUDOOUSHMO-UHFFFAOYSA-N 0 0 410.587 5.424 50 0 HKAARN Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=S)c(=S)n(-c2ccccc2)n1C ZINC000002274873 557333527 /nfs/dbraw/zinc/33/35/27/557333527.db2.gz LIHNEWVJGXIJIQ-UHFFFAOYSA-N 0 0 420.607 5.612 50 0 HKAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002274951 569327756 /nfs/dbraw/zinc/32/77/56/569327756.db2.gz DZRKSWGGKFNRLO-UQQQWYQISA-N 0 0 422.484 5.258 50 0 HKAARN Cc1cccc(O[P@@](=O)(Oc2ccccc2)O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000002274986 569327764 /nfs/dbraw/zinc/32/77/64/569327764.db2.gz NJUYNBCHRXCGCK-AFJIDDCJSA-N 0 0 422.339 6.881 50 0 HKAARN Cc1cccc(O[P@](=O)(Oc2ccccc2)O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000002274987 569327709 /nfs/dbraw/zinc/32/77/09/569327709.db2.gz NJUYNBCHRXCGCK-WRONEBCDSA-N 0 0 422.339 6.881 50 0 HKAARN Cc1cccc(O[P@@](=O)(Oc2ccccc2)O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000002274988 569327723 /nfs/dbraw/zinc/32/77/23/569327723.db2.gz NJUYNBCHRXCGCK-ACSYHNTCSA-N 0 0 422.339 6.881 50 0 HKAARN Cc1cccc(O[P@](=O)(Oc2ccccc2)O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000002274989 569327720 /nfs/dbraw/zinc/32/77/20/569327720.db2.gz NJUYNBCHRXCGCK-OLILMLBXSA-N 0 0 422.339 6.881 50 0 HKAARN CC(C)Sc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002275115 569327718 /nfs/dbraw/zinc/32/77/18/569327718.db2.gz UJODAOOUWDXACZ-UHFFFAOYSA-N 0 0 422.638 6.674 50 0 HKAARN CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002275337 569327726 /nfs/dbraw/zinc/32/77/26/569327726.db2.gz RAKWAGNPJBVCMA-UHFFFAOYSA-N 0 0 407.564 5.870 50 0 HKAARN COc1ccc2c(c1)c(C(=O)CN1CCCC(C)(C)C1)c(C)n2Cc1ccccc1 ZINC000002275477 569327747 /nfs/dbraw/zinc/32/77/47/569327747.db2.gz XNRNINJQHSIMSB-UHFFFAOYSA-N 0 0 404.554 5.311 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002275501 569327706 /nfs/dbraw/zinc/32/77/06/569327706.db2.gz DCILUCPPDQYRSA-INIZCTEOSA-N 0 0 412.624 5.769 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002275502 569327703 /nfs/dbraw/zinc/32/77/03/569327703.db2.gz DCILUCPPDQYRSA-MRXNPFEDSA-N 0 0 412.624 5.769 50 0 HKAARN CC(C)Sc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002275512 569327740 /nfs/dbraw/zinc/32/77/40/569327740.db2.gz LJVOQRDBZOOOKW-UHFFFAOYSA-N 0 0 421.591 6.258 50 0 HKAARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 ZINC000002275531 569327705 /nfs/dbraw/zinc/32/77/05/569327705.db2.gz VCPHOMGGNKTQNY-UHFFFAOYSA-N 0 0 409.692 5.128 50 0 HKAARN O=C(O[C@@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccc(Cl)cc1 ZINC000002275625 569327889 /nfs/dbraw/zinc/32/78/89/569327889.db2.gz HESRHFQWBCKQES-FQEVSTJZSA-N 0 0 411.935 6.598 50 0 HKAARN O=C(O[C@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccc(Cl)cc1 ZINC000002275626 569327875 /nfs/dbraw/zinc/32/78/75/569327875.db2.gz HESRHFQWBCKQES-HXUWFJFHSA-N 0 0 411.935 6.598 50 0 HKAARN CCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002275644 569327852 /nfs/dbraw/zinc/32/78/52/569327852.db2.gz SYIQPBQZAQPGBY-UHFFFAOYSA-N 0 0 416.590 5.829 50 0 HKAARN CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O ZINC000002275739 569327855 /nfs/dbraw/zinc/32/78/55/569327855.db2.gz FHBSECGYODKAAK-UHFFFAOYSA-N 0 0 406.438 5.044 50 0 HKAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1 ZINC000002275807 132251185 /nfs/dbraw/zinc/25/11/85/132251185.db2.gz HKAVYILUCSWMAE-FQEVSTJZSA-N 0 0 409.283 5.229 50 0 HKAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1 ZINC000002275808 132251241 /nfs/dbraw/zinc/25/12/41/132251241.db2.gz HKAVYILUCSWMAE-HXUWFJFHSA-N 0 0 409.283 5.229 50 0 HKAARN Cc1cccc2c1N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002275810 132251161 /nfs/dbraw/zinc/25/11/61/132251161.db2.gz HVHJRYAXDAZYRT-UHFFFAOYSA-N 0 0 411.617 6.729 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 ZINC000002275991 569327876 /nfs/dbraw/zinc/32/78/76/569327876.db2.gz ZTLZUEJQVYKZKD-HNNXBMFYSA-N 0 0 412.624 6.019 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002275992 569327901 /nfs/dbraw/zinc/32/79/01/569327901.db2.gz ZTLZUEJQVYKZKD-OAHLLOKOSA-N 0 0 412.624 6.019 50 0 HKAARN CCc1cc2c(cc1OCc1ccc(Cl)cc1)occ(-c1nc(C)cs1)c2=O ZINC000002276211 569327847 /nfs/dbraw/zinc/32/78/47/569327847.db2.gz LQNBZOMGLNLPCU-UHFFFAOYSA-N 0 0 411.910 6.020 50 0 HKAARN Cc1cc2nc(SCCOC(=O)Nc3cccc(Cl)c3)nc(C)c2cc1C ZINC000002276359 557333522 /nfs/dbraw/zinc/33/35/22/557333522.db2.gz XLRDQGIAJMQZCY-UHFFFAOYSA-N 0 0 401.919 5.549 50 0 HKAARN COc1ccc(OC)c([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c1 ZINC000002276475 569327649 /nfs/dbraw/zinc/32/76/49/569327649.db2.gz QUUJCYCJKQGYDU-NRFANRHFSA-N 0 0 407.447 5.858 50 0 HKAARN COc1ccc(OC)c([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c1 ZINC000002276476 569327593 /nfs/dbraw/zinc/32/75/93/569327593.db2.gz QUUJCYCJKQGYDU-OAQYLSRUSA-N 0 0 407.447 5.858 50 0 HKAARN Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002276585 569327719 /nfs/dbraw/zinc/32/77/19/569327719.db2.gz LOCVCTDQWQYLRP-VQTJNVASSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 ZINC000002276586 569327752 /nfs/dbraw/zinc/32/77/52/569327752.db2.gz LOCVCTDQWQYLRP-WOJBJXKFSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002276587 569327760 /nfs/dbraw/zinc/32/77/60/569327760.db2.gz LOCVCTDQWQYLRP-PMACEKPBSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 ZINC000002276588 569327616 /nfs/dbraw/zinc/32/76/16/569327616.db2.gz LOCVCTDQWQYLRP-UXHICEINSA-N 0 0 400.703 6.333 50 0 HKAARN COc1ccc2nc(SCCOC(=O)c3cccc4ccccc43)nc(C)c2c1 ZINC000002276639 557333482 /nfs/dbraw/zinc/33/34/82/557333482.db2.gz UUAWQXIIITZAMK-UHFFFAOYSA-N 0 0 404.491 5.049 50 0 HKAARN COc1ccc(-c2coc3c2cc2c(-c4ccccc4)cc(=O)oc2c3C)cc1F ZINC000002276696 557333537 /nfs/dbraw/zinc/33/35/37/557333537.db2.gz RRYMSJIXHNMRNF-UHFFFAOYSA-N 0 0 400.405 6.329 50 0 HKAARN CC(=O)CCc1c(-c2ccccc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000002276784 569327858 /nfs/dbraw/zinc/32/78/58/569327858.db2.gz URMOLAMRGHERLF-UHFFFAOYSA-N 0 0 417.530 5.375 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccccc1OC)c1ccccc21 ZINC000002276873 569327860 /nfs/dbraw/zinc/32/78/60/569327860.db2.gz MOSOGUDZTXIRQA-UHFFFAOYSA-N 0 0 417.461 5.044 50 0 HKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1CCc1ccccc1)CCC3 ZINC000002277036 557333816 /nfs/dbraw/zinc/33/38/16/557333816.db2.gz ADPJCNDAQKLVJS-UHFFFAOYSA-N 0 0 418.587 5.482 50 0 HKAARN Clc1ccccc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000002277300 557333771 /nfs/dbraw/zinc/33/37/71/557333771.db2.gz NZTAVWMAGIBKKR-UHFFFAOYSA-N 0 0 422.875 6.525 50 0 HKAARN CCOc1ccc2nc(SC(=O)Cn3c4ccccc4c4ccccc43)sc2c1 ZINC000002277345 557333870 /nfs/dbraw/zinc/33/38/70/557333870.db2.gz BJUFHTOEILDWJY-UHFFFAOYSA-N 0 0 418.543 6.122 50 0 HKAARN CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2N2CCCCC2)cc1 ZINC000002277349 132251223 /nfs/dbraw/zinc/25/12/23/132251223.db2.gz DZAWLGNZXMPZRV-UHFFFAOYSA-N 0 0 405.995 5.612 50 0 HKAARN CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1ccc(-c2ccccc2)cc1)CCCC3 ZINC000002278531 569327974 /nfs/dbraw/zinc/32/79/74/569327974.db2.gz NMRUNOHPIYBVBS-UHFFFAOYSA-N 0 0 424.540 7.495 50 0 HKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)c3ccccc3n2)cc1 ZINC000002279234 569328019 /nfs/dbraw/zinc/32/80/19/569328019.db2.gz VLFGTFPYTDYNAF-UHFFFAOYSA-N 0 0 403.865 6.091 50 0 HKAARN O=C(OCc1ccccc1)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000002279260 569327938 /nfs/dbraw/zinc/32/79/38/569327938.db2.gz MVSGOROJTXWLIM-BWAHOGKJSA-N 0 0 407.469 5.354 50 0 aggregator HKAARN CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002279446 557333768 /nfs/dbraw/zinc/33/37/68/557333768.db2.gz VDMOIIDTZJXAOM-QFIPXVFZSA-N 0 0 419.458 6.064 50 0 HKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002279447 557333834 /nfs/dbraw/zinc/33/38/34/557333834.db2.gz VDMOIIDTZJXAOM-JOCHJYFZSA-N 0 0 419.458 6.064 50 0 HKAARN Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)ccc21 ZINC000002279531 557333826 /nfs/dbraw/zinc/33/38/26/557333826.db2.gz WWSIGXBJNUAFKH-RUZDIDTESA-N 0 0 407.473 5.691 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000002279849 569328012 /nfs/dbraw/zinc/32/80/12/569328012.db2.gz UBRRFKGGQKROEQ-HSZRJFAPSA-N 0 0 404.466 5.072 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000002279850 569327982 /nfs/dbraw/zinc/32/79/82/569327982.db2.gz UBRRFKGGQKROEQ-QHCPKHFHSA-N 0 0 404.466 5.072 50 0 HKAARN C[C@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)S1 ZINC000002279923 569328005 /nfs/dbraw/zinc/32/80/05/569328005.db2.gz JFAQQNWFSRPCMQ-NSHDSACASA-N 0 0 413.852 5.889 50 0 HKAARN C[C@@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)S1 ZINC000002279924 569327961 /nfs/dbraw/zinc/32/79/61/569327961.db2.gz JFAQQNWFSRPCMQ-LLVKDONJSA-N 0 0 413.852 5.889 50 0 HKAARN Fc1ccc(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)cc1 ZINC000002280227 557334149 /nfs/dbraw/zinc/33/41/49/557334149.db2.gz KRVGUWOOHFCDRQ-UHFFFAOYSA-N 0 0 411.249 6.451 50 0 HKAARN CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000002280315 557334034 /nfs/dbraw/zinc/33/40/34/557334034.db2.gz JNQYDEHUHOQHPZ-UHFFFAOYSA-N 0 0 423.325 5.945 50 0 HKAARN CCCCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002280382 569363854 /nfs/dbraw/zinc/36/38/54/569363854.db2.gz RUVMCCXDORSXAG-UHFFFAOYSA-N 0 0 410.627 6.361 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002280412 557334074 /nfs/dbraw/zinc/33/40/74/557334074.db2.gz SUMRKJQZXOVSCW-UHFFFAOYSA-N 0 0 413.329 5.985 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002280420 557334071 /nfs/dbraw/zinc/33/40/71/557334071.db2.gz IECCNDHRYPEYKR-UHFFFAOYSA-N 0 0 420.921 6.393 50 0 HKAARN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000002280451 132251386 /nfs/dbraw/zinc/25/13/86/132251386.db2.gz ZYBFZSAHTNBEPH-KBPBESRZSA-N 0 0 424.570 5.321 50 0 HKAARN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000002280452 132251393 /nfs/dbraw/zinc/25/13/93/132251393.db2.gz ZYBFZSAHTNBEPH-ZIAGYGMSSA-N 0 0 424.570 5.321 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)cc1Cl ZINC000002280499 569363792 /nfs/dbraw/zinc/36/37/92/569363792.db2.gz OXROKRNDLYKGFC-UHFFFAOYSA-N 0 0 424.287 6.959 50 0 HKAARN CCOC(=O)c1c(C)n(-c2ccccc2Br)c2c1cc(O)c1ccccc21 ZINC000002280822 569363800 /nfs/dbraw/zinc/36/38/00/569363800.db2.gz JECIEMRSABDMPR-UHFFFAOYSA-N 0 0 424.294 5.737 50 0 HKAARN Cc1oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2c1C(=O)OC(C)C ZINC000002281027 569363811 /nfs/dbraw/zinc/36/38/11/569363811.db2.gz VUTBSDTYCBFVCT-UHFFFAOYSA-N 0 0 414.326 5.581 50 0 HKAARN CCc1ccccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002281176 569363852 /nfs/dbraw/zinc/36/38/52/569363852.db2.gz LUBSLCSJXAPFFX-SFHVURJKSA-N 0 0 413.348 6.137 50 0 HKAARN CCc1ccccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002281177 569363763 /nfs/dbraw/zinc/36/37/63/569363763.db2.gz LUBSLCSJXAPFFX-GOSISDBHSA-N 0 0 413.348 6.137 50 0 HKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1cccc(Cl)c1)CCCC2 ZINC000002281307 569363992 /nfs/dbraw/zinc/36/39/92/569363992.db2.gz RLWBLFKEEWFQSP-UHFFFAOYSA-N 0 0 410.926 5.785 50 0 HKAARN c1coc(-c2nc3sc4c(ncnc4NC4CCCCC4)c3c3c2CCCC3)c1 ZINC000002281363 569363893 /nfs/dbraw/zinc/36/38/93/569363893.db2.gz PDPVOOYQMRTSOT-UHFFFAOYSA-N 0 0 404.539 6.123 50 0 HKAARN O=c1/c(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2nc3ccccc3n12 ZINC000002281429 557334130 /nfs/dbraw/zinc/33/41/30/557334130.db2.gz WTFFRDJLKHXGNU-ZDLGFXPLSA-N 0 0 413.285 5.024 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc21 ZINC000002281449 569364088 /nfs/dbraw/zinc/36/40/88/569364088.db2.gz YPYZGKBRJKHAAD-UHFFFAOYSA-N 0 0 406.265 5.189 50 0 HKAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000002281556 569364086 /nfs/dbraw/zinc/36/40/86/569364086.db2.gz SWEZVDWNPRVZLZ-UHFFFAOYSA-N 0 0 411.523 5.537 50 0 HKAARN CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000002282191 569364106 /nfs/dbraw/zinc/36/41/06/569364106.db2.gz WVNUCUJIZHLTHW-UHFFFAOYSA-N 0 0 413.473 5.643 50 0 biogenic HKAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002282315 569364119 /nfs/dbraw/zinc/36/41/19/569364119.db2.gz ADVRBUPSWXFOOP-UHFFFAOYSA-N 0 0 414.292 6.198 50 0 HKAARN CC1=CC(C)(C)Nc2ccc(OC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc21 ZINC000002282341 557334142 /nfs/dbraw/zinc/33/41/42/557334142.db2.gz ONMUAPRDROTRGJ-XMMPIXPASA-N 0 0 415.558 6.733 50 0 HKAARN CC1=CC(C)(C)Nc2ccc(OC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc21 ZINC000002282342 557334037 /nfs/dbraw/zinc/33/40/37/557334037.db2.gz ONMUAPRDROTRGJ-DEOSSOPVSA-N 0 0 415.558 6.733 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1cccc(Cl)c1)c1ccccc21 ZINC000002282513 569364276 /nfs/dbraw/zinc/36/42/76/569364276.db2.gz AVGREEGWHSZZLQ-UHFFFAOYSA-N 0 0 421.880 5.689 50 0 biogenic HKAARN CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000002283056 569364237 /nfs/dbraw/zinc/36/42/37/569364237.db2.gz DWVXHZKBGUPVOX-UHFFFAOYSA-N 0 0 414.596 5.054 50 0 HKAARN C(=C/c1ccccc1)\CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002283173 557334051 /nfs/dbraw/zinc/33/40/51/557334051.db2.gz MNWYHTQLSDOVIC-JXMROGBWSA-N 0 0 413.502 5.469 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccccc1Cl ZINC000002283421 569364388 /nfs/dbraw/zinc/36/43/88/569364388.db2.gz YXLKIFZFXVRSGK-UHFFFAOYSA-N 0 0 413.926 6.114 50 0 HKAARN O=c1c2c(nc(SCc3ccccc3)n1C1CCCCC1)sc1c2CCCCC1 ZINC000002283540 557334120 /nfs/dbraw/zinc/33/41/20/557334120.db2.gz KDGHUWZJFRGGJB-UHFFFAOYSA-N 0 0 424.635 6.524 50 0 HKAARN CCOC(=O)c1c(C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002283570 569364397 /nfs/dbraw/zinc/36/43/97/569364397.db2.gz JSCMVZSUGJERHW-UHFFFAOYSA-N 0 0 400.299 5.192 50 0 HKAARN CC(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002283600 569364367 /nfs/dbraw/zinc/36/43/67/569364367.db2.gz SDSYQYFOPGLQAJ-UHFFFAOYSA-N 0 0 414.596 5.258 50 0 HKAARN CCC(C(=O)Oc1c(Cl)cc(Cl)c2ccccc21)(C(F)(F)F)C(F)(F)F ZINC000002283622 569364362 /nfs/dbraw/zinc/36/43/62/569364362.db2.gz DNXDJTKKJZGYTK-UHFFFAOYSA-N 0 0 419.148 6.573 50 0 HKAARN CC1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CCCC4)CC1 ZINC000002283633 132251355 /nfs/dbraw/zinc/25/13/55/132251355.db2.gz CYPIUBCNCPTANA-UHFFFAOYSA-N 0 0 404.539 5.615 50 0 HKAARN Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)ccc21 ZINC000002284055 557334339 /nfs/dbraw/zinc/33/43/39/557334339.db2.gz IIEQUCBCTZCLKV-MHZLTWQESA-N 0 0 417.512 6.098 50 0 HKAARN Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)ccc21 ZINC000002284056 557334357 /nfs/dbraw/zinc/33/43/57/557334357.db2.gz IIEQUCBCTZCLKV-HHHXNRCGSA-N 0 0 417.512 6.098 50 0 HKAARN CCCCCCn1c(N)c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc21 ZINC000002284210 569364338 /nfs/dbraw/zinc/36/43/38/569364338.db2.gz NDMSMOMLQUCOOK-UHFFFAOYSA-N 0 0 405.477 5.138 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(F)cc1 ZINC000002284214 557334426 /nfs/dbraw/zinc/33/44/26/557334426.db2.gz RLSWXJQOXNTWOZ-UHFFFAOYSA-N 0 0 416.839 6.693 50 0 HKAARN O=C(NCCc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000002284322 569364344 /nfs/dbraw/zinc/36/43/44/569364344.db2.gz IFDVUUIJCJJBGN-UHFFFAOYSA-N 0 0 414.288 5.185 50 0 HKAARN CC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000002284338 569364411 /nfs/dbraw/zinc/36/44/11/569364411.db2.gz JQBFZPZFOFQUAZ-UHFFFAOYSA-N 0 0 402.925 6.576 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002284589 569364349 /nfs/dbraw/zinc/36/43/49/569364349.db2.gz DMZWUWUKKZJAEU-UHFFFAOYSA-N 0 0 407.322 5.367 50 0 HKAARN Brc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000002284806 569364498 /nfs/dbraw/zinc/36/44/98/569364498.db2.gz IZECETDZVASNRU-UHFFFAOYSA-N 0 0 401.267 5.398 50 0 HKAARN CC(C)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000002284871 569282641 /nfs/dbraw/zinc/28/26/41/569282641.db2.gz ALRYMGRMOWUYCP-UHFFFAOYSA-N 0 0 418.718 6.131 50 0 HKAARN CCOc1cccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000002285092 569364470 /nfs/dbraw/zinc/36/44/70/569364470.db2.gz JRNKCTUMNQFONV-UHFFFAOYSA-N 0 0 411.527 5.066 50 0 HKAARN O=C(c1ccc(F)cc1)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 ZINC000002285095 557334419 /nfs/dbraw/zinc/33/44/19/557334419.db2.gz CJKBUYJMPOPIHG-UHFFFAOYSA-N 0 0 404.444 6.334 50 0 HKAARN CCCCOc1ccc(-c2nc(-c3cccc(Br)c3)cc(=O)o2)cc1 ZINC000002285102 569364510 /nfs/dbraw/zinc/36/45/10/569364510.db2.gz RYFFMDYCSUAUHC-UHFFFAOYSA-N 0 0 400.272 5.310 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000002285208 569364479 /nfs/dbraw/zinc/36/44/79/569364479.db2.gz YDRNQSDPFGZELE-MRXNPFEDSA-N 0 0 400.569 5.047 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002285209 569364502 /nfs/dbraw/zinc/36/45/02/569364502.db2.gz YDRNQSDPFGZELE-INIZCTEOSA-N 0 0 400.569 5.047 50 0 HKAARN COC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 ZINC000002285291 569364472 /nfs/dbraw/zinc/36/44/72/569364472.db2.gz BUERKVCJQYXQGB-UHFFFAOYSA-N 0 0 407.779 5.346 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002285661 132251414 /nfs/dbraw/zinc/25/14/14/132251414.db2.gz OCXQYKQQAWYZNV-RXFWQSSRSA-N 0 0 406.529 6.361 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002285662 132251347 /nfs/dbraw/zinc/25/13/47/132251347.db2.gz OCXQYKQQAWYZNV-FQRUVTKNSA-N 0 0 406.529 6.361 50 0 HKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002285663 132251539 /nfs/dbraw/zinc/25/15/39/132251539.db2.gz OCXQYKQQAWYZNV-FNZWTVRRSA-N 0 0 406.529 6.361 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002285664 132251525 /nfs/dbraw/zinc/25/15/25/132251525.db2.gz OCXQYKQQAWYZNV-IBVKSMDESA-N 0 0 406.529 6.361 50 0 HKAARN COc1cccc(NC(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)c1 ZINC000002285835 569364499 /nfs/dbraw/zinc/36/44/99/569364499.db2.gz IWZKUZJJXYZEIC-UQQQWYQISA-N 0 0 422.484 5.258 50 0 HKAARN CC(C)(C)c1cc(CCC(=O)NCCc2c[nH]c3ccccc23)cc(C(C)(C)C)c1O ZINC000002285892 569364519 /nfs/dbraw/zinc/36/45/19/569364519.db2.gz ATEJEVZDMWHKLE-UHFFFAOYSA-N 0 0 420.597 5.760 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002285925 132251560 /nfs/dbraw/zinc/25/15/60/132251560.db2.gz HFJSJLBABIZLTL-KDYSTLNUSA-N 0 0 418.540 6.946 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002285926 132251565 /nfs/dbraw/zinc/25/15/65/132251565.db2.gz HFJSJLBABIZLTL-JIPXPUAJSA-N 0 0 418.540 6.946 50 0 HKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002285927 132251518 /nfs/dbraw/zinc/25/15/18/132251518.db2.gz HFJSJLBABIZLTL-IDISGSTGSA-N 0 0 418.540 6.946 50 0 HKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002285928 132251580 /nfs/dbraw/zinc/25/15/80/132251580.db2.gz HFJSJLBABIZLTL-ZBLYBZFDSA-N 0 0 418.540 6.946 50 0 HKAARN CCc1cc2c(cc1OCc1ccccc1Cl)occ(-c1nc(C)cs1)c2=O ZINC000002286372 557334370 /nfs/dbraw/zinc/33/43/70/557334370.db2.gz OYBPJSKZPZQLHO-UHFFFAOYSA-N 0 0 411.910 6.020 50 0 HKAARN c1ccc(-c2onc3ccc(Oc4ccc5noc(-c6ccccc6)c5c4)cc32)cc1 ZINC000002286472 557334395 /nfs/dbraw/zinc/33/43/95/557334395.db2.gz DYFKQCASEWRXIN-UHFFFAOYSA-N 0 0 404.425 7.095 50 0 HKAARN Cc1sc2nc(SC/C=C/c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002286519 557334350 /nfs/dbraw/zinc/33/43/50/557334350.db2.gz VIOLLDRLNMZCQT-FMIVXFBMSA-N 0 0 404.560 5.870 50 0 HKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1c2ccccc2CCc2ccccc21 ZINC000002286572 557334430 /nfs/dbraw/zinc/33/44/30/557334430.db2.gz IMSLAEJOOQJVEN-MHZLTWQESA-N 0 0 421.565 6.984 50 0 HKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1c2ccccc2CCc2ccccc21 ZINC000002286573 557334318 /nfs/dbraw/zinc/33/43/18/557334318.db2.gz IMSLAEJOOQJVEN-HHHXNRCGSA-N 0 0 421.565 6.984 50 0 HKAARN CC(=O)Oc1cccc(C(=O)Oc2c3ccccc3sc2C(=O)c2ccccc2)c1 ZINC000002286767 569364590 /nfs/dbraw/zinc/36/45/90/569364590.db2.gz ZBUUTLVZDYAOQX-UHFFFAOYSA-N 0 0 416.454 5.277 50 0 HKAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000002286884 569364569 /nfs/dbraw/zinc/36/45/69/569364569.db2.gz VFUBICWAEUMSQJ-UHFFFAOYSA-N 0 0 417.461 5.044 50 0 HKAARN CCOc1ccc(-n2cnc3scc(-c4ccc(-c5ccccc5)cc4)c3c2=O)cc1 ZINC000002286986 569364635 /nfs/dbraw/zinc/36/46/35/569364635.db2.gz PBBRWQGLADUYEO-UHFFFAOYSA-N 0 0 424.525 6.180 50 0 HKAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CC[C@H](C(C)(C)C)C2)cc1 ZINC000002287077 557334432 /nfs/dbraw/zinc/33/44/32/557334432.db2.gz DGYHWFLBWROYSJ-LBPRGKRZSA-N 0 0 400.569 5.269 50 0 HKAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CC[C@@H](C(C)(C)C)C2)cc1 ZINC000002287078 557334439 /nfs/dbraw/zinc/33/44/39/557334439.db2.gz DGYHWFLBWROYSJ-GFCCVEGCSA-N 0 0 400.569 5.269 50 0 HKAARN O=c1oc2cc(OCc3ccc(F)cc3)ccc2cc1-c1nc2ccccc2s1 ZINC000002287247 557334363 /nfs/dbraw/zinc/33/43/63/557334363.db2.gz ZEURZBNAEAZQPE-UHFFFAOYSA-N 0 0 403.434 5.788 50 0 HKAARN CCOC(=O)c1c(-c2cccs2)csc1NC=C1C(=O)N(C)c2ccccc21 ZINC000002287350 569364594 /nfs/dbraw/zinc/36/45/94/569364594.db2.gz SUBXNGSRBURWBW-KAMYIIQDSA-N 0 0 410.520 5.083 50 0 HKAARN O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1nc2ccccc2s1 ZINC000002287487 569364596 /nfs/dbraw/zinc/36/45/96/569364596.db2.gz DPNIBHYPAHJSHB-RMKNXTFCSA-N 0 0 411.482 6.162 50 0 HKAARN c1ccc(CSc2nc3[nH]c4c(c3c(SCc3ccccc3)n2)CCCC4)cc1 ZINC000002288097 569364588 /nfs/dbraw/zinc/36/45/88/569364588.db2.gz VUBOLPYGKAIPFE-UHFFFAOYSA-N 0 0 417.603 6.421 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000002288128 569364639 /nfs/dbraw/zinc/36/46/39/569364639.db2.gz SUEXGRDVIXHIMA-UHFFFAOYSA-N 0 0 414.596 5.499 50 0 HKAARN CCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl ZINC000002288204 557334374 /nfs/dbraw/zinc/33/43/74/557334374.db2.gz BDAFDMKZNGKIIH-UHFFFAOYSA-N 0 0 409.020 5.739 50 0 HKAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002288222 569364582 /nfs/dbraw/zinc/36/45/82/569364582.db2.gz FMVMHZUXPAAHKS-UHFFFAOYSA-N 0 0 407.535 6.043 50 0 HKAARN CCOC(=O)c1c2cc(OCc3cc(C)ccc3C)ccc2oc1-c1ccccc1 ZINC000002288234 569364654 /nfs/dbraw/zinc/36/46/54/569364654.db2.gz UJVAARYGPQVFGW-UHFFFAOYSA-N 0 0 400.474 6.472 50 0 HKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 ZINC000002288348 534935681 /nfs/dbraw/zinc/93/56/81/534935681.db2.gz CIHIAKVQSWLYPE-RUZDIDTESA-N 0 0 405.563 5.511 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 ZINC000002288349 132251554 /nfs/dbraw/zinc/25/15/54/132251554.db2.gz CIHIAKVQSWLYPE-VWLOTQADSA-N 0 0 405.563 5.511 50 0 HKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000002288384 557334553 /nfs/dbraw/zinc/33/45/53/557334553.db2.gz DUIOGTNZNLXUMC-OVCLIPMQSA-N 0 0 417.871 5.984 50 0 HKAARN c1coc(-c2nc3sc4c(ncnc4NCc4ccccc4)c3c3c2CCCC3)c1 ZINC000002288417 569364751 /nfs/dbraw/zinc/36/47/51/569364751.db2.gz JJFCJYVTKOKEFK-UHFFFAOYSA-N 0 0 412.518 5.990 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(Cl)(Cl)Cl ZINC000002288432 569364710 /nfs/dbraw/zinc/36/47/10/569364710.db2.gz JXZSYLXOQINGJM-UHFFFAOYSA-N 0 0 406.718 5.209 50 0 HKAARN Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 ZINC000002288571 569364719 /nfs/dbraw/zinc/36/47/19/569364719.db2.gz JPJPHZPNLBXNRR-CMDGGOBGSA-N 0 0 402.441 5.713 50 0 HKAARN O=c1c2c(nc3n1C[C@H](c1ccccc1)S3)-c1ccccc1CC21CCCCC1 ZINC000002288686 569364698 /nfs/dbraw/zinc/36/46/98/569364698.db2.gz WTDIQRVDYMXLNQ-HXUWFJFHSA-N 0 0 400.547 5.515 50 0 biogenic HKAARN O=c1c2c(nc3n1C[C@@H](c1ccccc1)S3)-c1ccccc1CC21CCCCC1 ZINC000002288687 569364791 /nfs/dbraw/zinc/36/47/91/569364791.db2.gz WTDIQRVDYMXLNQ-FQEVSTJZSA-N 0 0 400.547 5.515 50 0 biogenic HKAARN CC1=C[C@@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000002288842 569364669 /nfs/dbraw/zinc/36/46/69/569364669.db2.gz MFOHDHYQLDNSFR-UXHICEINSA-N 0 0 422.525 6.092 50 0 HKAARN CC1=C[C@@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000002288843 569364763 /nfs/dbraw/zinc/36/47/63/569364763.db2.gz MFOHDHYQLDNSFR-WOJBJXKFSA-N 0 0 422.525 6.092 50 0 HKAARN CC1=C[C@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000002288844 569364776 /nfs/dbraw/zinc/36/47/76/569364776.db2.gz MFOHDHYQLDNSFR-PMACEKPBSA-N 0 0 422.525 6.092 50 0 HKAARN CC1=C[C@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000002288845 569364742 /nfs/dbraw/zinc/36/47/42/569364742.db2.gz MFOHDHYQLDNSFR-VQTJNVASSA-N 0 0 422.525 6.092 50 0 HKAARN c1ccc(Cc2nc3c(c(N4CCCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002288911 569364869 /nfs/dbraw/zinc/36/48/69/569364869.db2.gz WLFDQZYBHCFNQZ-UHFFFAOYSA-N 0 0 409.577 6.093 50 0 HKAARN Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(-n2nc3ccccc3n2)c1 ZINC000002289057 569364862 /nfs/dbraw/zinc/36/48/62/569364862.db2.gz ZZFMBYHMPIDKNV-UHFFFAOYSA-N 0 0 419.484 5.466 50 0 HKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002289152 534935176 /nfs/dbraw/zinc/93/51/76/534935176.db2.gz NXVBZPZXEIDDBK-SSEXGKCCSA-N 0 0 419.568 6.904 50 0 HKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Cc1cccc2ccccc21 ZINC000002289153 132251520 /nfs/dbraw/zinc/25/15/20/132251520.db2.gz NXVBZPZXEIDDBK-PMERELPUSA-N 0 0 419.568 6.904 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000002289864 569365153 /nfs/dbraw/zinc/36/51/53/569365153.db2.gz GCNQGDODDFQHII-UHFFFAOYSA-N 0 0 406.865 6.509 50 0 HKAARN CC(C)COc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl ZINC000002290140 557334646 /nfs/dbraw/zinc/33/46/46/557334646.db2.gz TVGFRHBEXHAIGI-UHFFFAOYSA-N 0 0 409.020 5.595 50 0 HKAARN CCCCCCOC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002290146 569365295 /nfs/dbraw/zinc/36/52/95/569365295.db2.gz VUXLQNGNOKUQGS-UHFFFAOYSA-N 0 0 408.420 6.087 50 0 HKAARN CC(C)(C)c1ccc(-c2nn(CNc3ccc(Br)cc3)c(=S)o2)cc1 ZINC000002290304 557334600 /nfs/dbraw/zinc/33/46/00/557334600.db2.gz GUNHHXALHPBONA-UHFFFAOYSA-N 0 0 418.360 6.002 50 0 HKAARN COP(=O)(OC)[C@H](Nc1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000002290383 557334631 /nfs/dbraw/zinc/33/46/31/557334631.db2.gz SHMIKTJMPZYLIZ-KRWDZBQOSA-N 0 0 409.220 5.527 50 0 HKAARN COP(=O)(OC)[C@@H](Nc1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000002290384 557334545 /nfs/dbraw/zinc/33/45/45/557334545.db2.gz SHMIKTJMPZYLIZ-QGZVFWFLSA-N 0 0 409.220 5.527 50 0 HKAARN COc1ccc(Cl)cc1NP(=O)(Oc1cccc(C)c1)Oc1cccc(C)c1 ZINC000002290396 569369021 /nfs/dbraw/zinc/36/90/21/569369021.db2.gz VTSXLKMETBKMAK-UHFFFAOYSA-N 0 0 417.829 6.643 50 0 HKAARN CC(C)(C)c1ccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 ZINC000002290437 569368991 /nfs/dbraw/zinc/36/89/91/569368991.db2.gz PROWRXNJFRKDKR-UHFFFAOYSA-N 0 0 421.610 6.082 50 0 HKAARN CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000002290459 132251577 /nfs/dbraw/zinc/25/15/77/132251577.db2.gz DSAVWUVKUZDWHK-UHFFFAOYSA-N 0 0 404.897 5.312 50 0 HKAARN C[C@H](NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000002290595 569368981 /nfs/dbraw/zinc/36/89/81/569368981.db2.gz ROTRGOQGNCWQAS-HNNXBMFYSA-N 0 0 422.248 6.910 50 0 HKAARN C[C@@H](NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000002290596 569368977 /nfs/dbraw/zinc/36/89/77/569368977.db2.gz ROTRGOQGNCWQAS-OAHLLOKOSA-N 0 0 422.248 6.910 50 0 HKAARN CC(C)(C)c1ccc(-c2nn(CNc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 ZINC000002290617 557334641 /nfs/dbraw/zinc/33/46/41/557334641.db2.gz YNEHPNVTKIQRMU-UHFFFAOYSA-N 0 0 408.354 6.546 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002290682 569368993 /nfs/dbraw/zinc/36/89/93/569368993.db2.gz ROIBKWYKPKHPME-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000002290806 557334643 /nfs/dbraw/zinc/33/46/43/557334643.db2.gz KIQHFVQOYNTFCJ-UHFFFAOYSA-N 0 0 416.477 5.148 50 0 HKAARN COc1cccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1 ZINC000002290873 569369028 /nfs/dbraw/zinc/36/90/28/569369028.db2.gz UDTAXTBDLQMOCK-UHFFFAOYSA-N 0 0 411.438 6.607 50 0 HKAARN Cc1ccc(OP(=O)(Nc2cccc3nsnc32)Oc2ccc(C)cc2)cc1 ZINC000002290874 569368999 /nfs/dbraw/zinc/36/89/99/569368999.db2.gz AXABMCLZMPZLHA-UHFFFAOYSA-N 0 0 411.423 5.986 50 0 HKAARN Cc1ccc(Cl)cc1N[P@@](=O)(OCC(F)(F)F)Oc1ccc(Cl)cc1 ZINC000002290913 569369031 /nfs/dbraw/zinc/36/90/31/569369031.db2.gz HFDUTRGOOSVFCA-RUZDIDTESA-N 0 0 414.147 6.480 50 0 HKAARN Cc1ccc(Cl)cc1N[P@](=O)(OCC(F)(F)F)Oc1ccc(Cl)cc1 ZINC000002290914 569369000 /nfs/dbraw/zinc/36/90/00/569369000.db2.gz HFDUTRGOOSVFCA-VWLOTQADSA-N 0 0 414.147 6.480 50 0 HKAARN COc1ccccc1OP(=O)(Nc1cccc(F)c1)Oc1ccccc1OC ZINC000002290918 569369001 /nfs/dbraw/zinc/36/90/01/569369001.db2.gz CQQNDVIAVNTRCC-UHFFFAOYSA-N 0 0 403.346 5.521 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002290939 569369005 /nfs/dbraw/zinc/36/90/05/569369005.db2.gz IMFOZNRXDPQNIT-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN Cc1cccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 ZINC000002290973 569368990 /nfs/dbraw/zinc/36/89/90/569368990.db2.gz YYVCAAJMSMFIKY-UHFFFAOYSA-N 0 0 421.504 5.333 50 0 HKAARN Cc1cccc2c1NC(C)(C)c1sn(-c3cc(Cl)cc(Cl)c3)c(=S)c1-2 ZINC000002290974 557334888 /nfs/dbraw/zinc/33/48/88/557334888.db2.gz ULTLUQOPNYWOEA-UHFFFAOYSA-N 0 0 407.391 7.211 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002290981 569369023 /nfs/dbraw/zinc/36/90/23/569369023.db2.gz XLDOLZXVYSUGRZ-UHFFFAOYSA-N 0 0 413.868 5.062 50 0 HKAARN Cc1ccc(Cl)cc1NP(=O)(Oc1ccccc1F)Oc1ccccc1F ZINC000002291036 560559542 /nfs/dbraw/zinc/55/95/42/560559542.db2.gz YOYNLGDXTWWKHZ-UHFFFAOYSA-N 0 0 409.756 6.605 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000002291093 569368997 /nfs/dbraw/zinc/36/89/97/569368997.db2.gz CCEDEJGWMUIYGP-FYJGNVAPSA-N 0 0 407.828 5.403 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000002291094 557334865 /nfs/dbraw/zinc/33/48/65/557334865.db2.gz CCEDEJGWMUIYGP-BKUYFWCQSA-N 0 0 407.828 5.403 50 0 HKAARN Cc1cccc(OP(=O)(Nc2ccc(C(C)C)cc2)Oc2cccc(C)c2C)c1C ZINC000002291140 569369133 /nfs/dbraw/zinc/36/91/33/569369133.db2.gz PKNDHCVYDDIKAP-UHFFFAOYSA-N 0 0 423.493 7.722 50 0 HKAARN Cc1cccc(OP(=O)(N[C@@H](C)c2ccccc2)Oc2cccc(C)c2C)c1C ZINC000002291185 569369113 /nfs/dbraw/zinc/36/91/13/569369113.db2.gz UTEINKIGRMKGCI-NRFANRHFSA-N 0 0 409.466 6.837 50 0 HKAARN Cc1cccc(OP(=O)(N[C@H](C)c2ccccc2)Oc2cccc(C)c2C)c1C ZINC000002291186 569369155 /nfs/dbraw/zinc/36/91/55/569369155.db2.gz UTEINKIGRMKGCI-OAQYLSRUSA-N 0 0 409.466 6.837 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002291232 569369105 /nfs/dbraw/zinc/36/91/05/569369105.db2.gz SCQFNQGDLAELLJ-UHFFFAOYSA-N 0 0 421.504 5.333 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002291403 569369124 /nfs/dbraw/zinc/36/91/24/569369124.db2.gz NYBQWXKNLWEOSW-UHFFFAOYSA-N 0 0 421.504 5.084 50 0 HKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3cccc(Cl)c3C)sc1C(C)(C)N2 ZINC000002291451 569369148 /nfs/dbraw/zinc/36/91/48/569369148.db2.gz DDQBHTZHTOBBFS-UHFFFAOYSA-N 0 0 416.999 6.956 50 0 HKAARN O=P(Nc1cccc2cccnc21)(Oc1ccccc1F)Oc1ccccc1F ZINC000002291455 569369117 /nfs/dbraw/zinc/36/91/17/569369117.db2.gz FJXAKWIJDNANMV-UHFFFAOYSA-N 0 0 412.332 6.191 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291501 569369123 /nfs/dbraw/zinc/36/91/23/569369123.db2.gz KIKNIJUFMYZWDQ-UHFFFAOYSA-N 0 0 411.509 5.310 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002291537 569369116 /nfs/dbraw/zinc/36/91/16/569369116.db2.gz VFOLVWGYFCWTPN-UHFFFAOYSA-N 0 0 421.504 5.333 50 0 HKAARN O=P(Nc1ccc(Br)cc1)(OCC(F)(F)F)OCC(F)(F)F ZINC000002291583 569369112 /nfs/dbraw/zinc/36/91/12/569369112.db2.gz HPJZVNGETLIVFB-UHFFFAOYSA-N 0 0 416.052 5.127 50 0 HKAARN COc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1Cl ZINC000002291624 569369153 /nfs/dbraw/zinc/36/91/53/569369153.db2.gz DDNWOJALDXVATF-UHFFFAOYSA-N 0 0 417.829 6.643 50 0 HKAARN COc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1Cl ZINC000002291746 569369154 /nfs/dbraw/zinc/36/91/54/569369154.db2.gz GQCLMCBJPIWNSR-UHFFFAOYSA-N 0 0 417.829 6.643 50 0 HKAARN Cc1cccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 ZINC000002291817 569369220 /nfs/dbraw/zinc/36/92/20/569369220.db2.gz FGWSLVJNFCPHGD-UHFFFAOYSA-N 0 0 421.504 5.333 50 0 HKAARN Clc1ccccc1-c1nc(NCc2ccccc2)nc2ccc(Br)cc21 ZINC000002291849 557334936 /nfs/dbraw/zinc/33/49/36/557334936.db2.gz LGTLEALYRBBRQF-UHFFFAOYSA-N 0 0 424.729 6.325 50 0 HKAARN CCCCN(C)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002292002 569369232 /nfs/dbraw/zinc/36/92/32/569369232.db2.gz CWDLRIFOJLCWTI-UHFFFAOYSA-N 0 0 412.603 5.526 50 0 HKAARN Cc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000002292030 569369193 /nfs/dbraw/zinc/36/91/93/569369193.db2.gz WGKLVMJNNUYTQY-UHFFFAOYSA-N 0 0 402.686 5.271 50 0 HKAARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000002292065 569369257 /nfs/dbraw/zinc/36/92/57/569369257.db2.gz QOIYPCDETYQIBG-UHFFFAOYSA-N 0 0 411.686 5.469 50 0 HKAARN CCCCSc1nnc2n1c1c(c(=O)n2CC)C2(CCCCC2)Cc2ccccc2-1 ZINC000002292291 569369409 /nfs/dbraw/zinc/36/94/09/569369409.db2.gz WRDHKBUXFHCZJI-UHFFFAOYSA-N 0 0 422.598 5.228 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1Cc1ccccc1)occ3-c1ccc2ccccc2c1 ZINC000002292325 569369435 /nfs/dbraw/zinc/36/94/35/569369435.db2.gz BREDYSOQYHIFJJ-UHFFFAOYSA-N 0 0 416.476 7.259 50 0 HKAARN COc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)nc(C)c2c1 ZINC000002292574 132251739 /nfs/dbraw/zinc/25/17/39/132251739.db2.gz WZQGNKCNNDZHEM-UHFFFAOYSA-N 0 0 419.550 5.268 50 0 HKAARN CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2)cc1 ZINC000002292635 569369432 /nfs/dbraw/zinc/36/94/32/569369432.db2.gz WKGQYNSSMXRZOX-UHFFFAOYSA-N 0 0 419.480 6.102 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1cccc2ccccc21 ZINC000002292732 557334923 /nfs/dbraw/zinc/33/49/23/557334923.db2.gz YKGWAMNQQPCDRM-UHFFFAOYSA-N 0 0 417.295 6.513 50 0 HKAARN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cccs1 ZINC000002292774 569369444 /nfs/dbraw/zinc/36/94/44/569369444.db2.gz BEEMCXRQVBKWRS-UHFFFAOYSA-N 0 0 414.313 7.253 50 0 HKAARN O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000002292779 557334948 /nfs/dbraw/zinc/33/49/48/557334948.db2.gz LTDGCEHWCXYZON-UHFFFAOYSA-N 0 0 418.471 6.781 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc2ccccc2c1 ZINC000002292841 569060514 /nfs/dbraw/zinc/06/05/14/569060514.db2.gz UESXYFQTTAUPJA-UHFFFAOYSA-N 0 0 406.437 5.875 50 0 biogenic HKAARN CCCCc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1CCCC2 ZINC000002292842 569369425 /nfs/dbraw/zinc/36/94/25/569369425.db2.gz GGXDBUNWYSZKTI-UHFFFAOYSA-N 0 0 416.594 6.116 50 0 HKAARN CCCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000002292861 569369411 /nfs/dbraw/zinc/36/94/11/569369411.db2.gz FMNGXJUVKGDDNT-UHFFFAOYSA-N 0 0 411.552 5.853 50 0 HKAARN COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2)C(=O)c2ccco2)cc1 ZINC000002292969 569369423 /nfs/dbraw/zinc/36/94/23/569369423.db2.gz YCFXNWRTAJGVPN-QHCPKHFHSA-N 0 0 415.489 5.746 50 0 HKAARN COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2)C(=O)c2ccco2)cc1 ZINC000002292970 569369434 /nfs/dbraw/zinc/36/94/34/569369434.db2.gz YCFXNWRTAJGVPN-HSZRJFAPSA-N 0 0 415.489 5.746 50 0 HKAARN CCCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002293283 569369283 /nfs/dbraw/zinc/36/92/83/569369283.db2.gz OAVQASHUIXXHLB-UHFFFAOYSA-N 0 0 416.594 6.778 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000002293305 569369246 /nfs/dbraw/zinc/36/92/46/569369246.db2.gz FTAPAAUTXSZOEU-AWEZNQCLSA-N 0 0 414.596 5.473 50 0 HKAARN COc1ccc(-c2nc(-c3cc4c(c(OC)c3)OCO4)[nH]c2-c2ccccc2)cc1 ZINC000002293471 569369197 /nfs/dbraw/zinc/36/91/97/569369197.db2.gz JEQKOHNSCAOBLY-UHFFFAOYSA-N 0 0 400.434 5.157 50 0 HKAARN Clc1ccc2c(c1)[C@H](c1ccccc1)O[C@H](c1ccc(Br)cc1)N2 ZINC000002293528 569369203 /nfs/dbraw/zinc/36/92/03/569369203.db2.gz AZGYLCACSFIPSF-VQTJNVASSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc2c(c1)[C@@H](c1ccccc1)O[C@H](c1ccc(Br)cc1)N2 ZINC000002293529 569369259 /nfs/dbraw/zinc/36/92/59/569369259.db2.gz AZGYLCACSFIPSF-WOJBJXKFSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc2c(c1)[C@H](c1ccccc1)O[C@@H](c1ccc(Br)cc1)N2 ZINC000002293530 569369216 /nfs/dbraw/zinc/36/92/16/569369216.db2.gz AZGYLCACSFIPSF-PMACEKPBSA-N 0 0 400.703 6.333 50 0 HKAARN Clc1ccc2c(c1)[C@@H](c1ccccc1)O[C@@H](c1ccc(Br)cc1)N2 ZINC000002293531 569369218 /nfs/dbraw/zinc/36/92/18/569369218.db2.gz AZGYLCACSFIPSF-UXHICEINSA-N 0 0 400.703 6.333 50 0 HKAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 ZINC000002293611 569369274 /nfs/dbraw/zinc/36/92/74/569369274.db2.gz FXDFUGPTXVDECC-UHFFFAOYSA-N 0 0 400.478 5.025 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 ZINC000002293635 569369205 /nfs/dbraw/zinc/36/92/05/569369205.db2.gz FTAPAAUTXSZOEU-CQSZACIVSA-N 0 0 414.596 5.473 50 0 HKAARN Cc1c(OCC(=O)c2ccc3ccccc3c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002293676 557334853 /nfs/dbraw/zinc/33/48/53/557334853.db2.gz XIRGCFKUDMZJKX-UHFFFAOYSA-N 0 0 420.464 6.183 50 0 biogenic HKAARN C[C@H]1CCCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002293744 569369290 /nfs/dbraw/zinc/36/92/90/569369290.db2.gz PQPXCJRUEJAPGU-INIZCTEOSA-N 0 0 418.587 6.179 50 0 HKAARN C[C@@H]1CCCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002293745 569369266 /nfs/dbraw/zinc/36/92/66/569369266.db2.gz PQPXCJRUEJAPGU-MRXNPFEDSA-N 0 0 418.587 6.179 50 0 HKAARN CC(C)CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl ZINC000002293842 569369201 /nfs/dbraw/zinc/36/92/01/569369201.db2.gz XFPZKWWIZFPLMI-UHFFFAOYSA-N 0 0 423.047 5.985 50 0 HKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000002293902 569369264 /nfs/dbraw/zinc/36/92/64/569369264.db2.gz CDFKSQUZWIHABD-UHFFFAOYSA-N 0 0 410.631 6.477 50 0 HKAARN c1ccc(-c2nc3sc4c(ncnc4N4CCCCC4)c3c3c2CCCC3)cc1 ZINC000002293916 132251770 /nfs/dbraw/zinc/25/17/70/132251770.db2.gz QUPSBJKYCWSQDO-UHFFFAOYSA-N 0 0 400.551 5.776 50 0 HKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000002294024 569369352 /nfs/dbraw/zinc/36/93/52/569369352.db2.gz YYLKDCJDWJKQGP-INIZCTEOSA-N 0 0 412.624 6.244 50 0 HKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000002294025 569369296 /nfs/dbraw/zinc/36/92/96/569369296.db2.gz YYLKDCJDWJKQGP-MRXNPFEDSA-N 0 0 412.624 6.244 50 0 HKAARN COc1ccccc1-n1c(=O)c2c(nc1SC)-c1ccccc1CC21CCCCC1 ZINC000002294062 569369370 /nfs/dbraw/zinc/36/93/70/569369370.db2.gz HZKDLPYWHOSUFD-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 biogenic HKAARN COc1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000002294111 557335161 /nfs/dbraw/zinc/33/51/61/557335161.db2.gz OEAPGEVDEPWGEO-UHFFFAOYSA-N 0 0 406.283 5.812 50 0 HKAARN Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(-c5ccccc5)cc4)c21)CCCC3 ZINC000002294125 557335072 /nfs/dbraw/zinc/33/50/72/557335072.db2.gz YGURITIGRJRAFP-UHFFFAOYSA-N 0 0 406.481 7.060 50 0 HKAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000002294298 569369335 /nfs/dbraw/zinc/36/93/35/569369335.db2.gz MCERBAYYBXACEG-CYBMUJFWSA-N 0 0 410.568 5.037 50 0 HKAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000002294299 569369378 /nfs/dbraw/zinc/36/93/78/569369378.db2.gz MCERBAYYBXACEG-ZDUSSCGKSA-N 0 0 410.568 5.037 50 0 HKAARN Cc1ccc(CN2c3ccccc3N(C(=O)c3ccc(F)cc3)C(C)(C)C2=O)c(C)c1 ZINC000002294394 132251796 /nfs/dbraw/zinc/25/17/96/132251796.db2.gz HXMLAHDQETVQBE-UHFFFAOYSA-N 0 0 416.496 5.415 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 ZINC000002294409 569369333 /nfs/dbraw/zinc/36/93/33/569369333.db2.gz KNCLPKJFIHQPMC-UHFFFAOYSA-N 0 0 410.608 6.231 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294544 132251797 /nfs/dbraw/zinc/25/17/97/132251797.db2.gz FBKSZNCOVVVBQI-SANMLTNESA-N 0 0 419.590 5.987 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294545 132251741 /nfs/dbraw/zinc/25/17/41/132251741.db2.gz FBKSZNCOVVVBQI-AREMUKBSSA-N 0 0 419.590 5.987 50 0 HKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294572 536579923 /nfs/dbraw/zinc/57/99/23/536579923.db2.gz ZIFRBLPZUZHNIQ-JPPFJDCGSA-N 0 0 411.545 6.230 50 0 HKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294574 536581397 /nfs/dbraw/zinc/58/13/97/536581397.db2.gz ZIFRBLPZUZHNIQ-INASKANMSA-N 0 0 411.545 6.230 50 0 HKAARN CCCc1ccc(C(=O)N2c3cc(N)ccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294796 132251772 /nfs/dbraw/zinc/25/17/72/132251772.db2.gz LWVUBBKFEPVFLW-NDEPHWFRSA-N 0 0 412.577 6.356 50 0 HKAARN CCCc1ccc(C(=O)N2c3cc(N)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002294797 132251798 /nfs/dbraw/zinc/25/17/98/132251798.db2.gz LWVUBBKFEPVFLW-MUUNZHRXSA-N 0 0 412.577 6.356 50 0 HKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccccc3)c3ccccc32)cc1 ZINC000002294818 132251771 /nfs/dbraw/zinc/25/17/71/132251771.db2.gz OUEQBCWKRBFLRA-CTCDTRPASA-N 0 0 411.545 6.230 50 0 HKAARN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccccc3)c3ccccc32)cc1 ZINC000002294820 132251768 /nfs/dbraw/zinc/25/17/68/132251768.db2.gz OUEQBCWKRBFLRA-AASAHQDDSA-N 0 0 411.545 6.230 50 0 HKAARN CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002294995 569369337 /nfs/dbraw/zinc/36/93/37/569369337.db2.gz NMVAAOFORADXCA-UHFFFAOYSA-N 0 0 402.567 6.387 50 0 HKAARN Cc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c(C)c1 ZINC000002295207 557335156 /nfs/dbraw/zinc/33/51/56/557335156.db2.gz KPCXBCSOFHHZPO-UHFFFAOYSA-N 0 0 404.311 6.420 50 0 HKAARN COc1ccccc1C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000002295299 132251750 /nfs/dbraw/zinc/25/17/50/132251750.db2.gz RMBARTZIUXHPOY-AREMUKBSSA-N 0 0 419.952 6.484 50 0 HKAARN COc1ccccc1C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000002295300 132251736 /nfs/dbraw/zinc/25/17/36/132251736.db2.gz RMBARTZIUXHPOY-SANMLTNESA-N 0 0 419.952 6.484 50 0 HKAARN CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 ZINC000002295396 569369295 /nfs/dbraw/zinc/36/92/95/569369295.db2.gz SDLQWKGKPVLOJF-JWGURIENSA-N 0 0 412.489 5.054 50 0 HKAARN CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295401 569369345 /nfs/dbraw/zinc/36/93/45/569369345.db2.gz CMRYJALRRHKBSC-UHFFFAOYSA-N 0 0 402.563 5.688 50 0 biogenic HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCC(C)CC1 ZINC000002295465 132251760 /nfs/dbraw/zinc/25/17/60/132251760.db2.gz AKZJGVGSICJHBX-UHFFFAOYSA-N 0 0 418.653 5.828 50 0 HKAARN CC(C)CCOc1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000002295532 569369323 /nfs/dbraw/zinc/36/93/23/569369323.db2.gz MLBWAXKLDVAKEQ-UHFFFAOYSA-N 0 0 414.545 6.741 50 0 HKAARN CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295544 569369308 /nfs/dbraw/zinc/36/93/08/569369308.db2.gz IXJDRNSHWRNKIN-UHFFFAOYSA-N 0 0 402.563 5.688 50 0 biogenic HKAARN CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002295577 569369313 /nfs/dbraw/zinc/36/93/13/569369313.db2.gz YJMWJGSUTRVRGW-UHFFFAOYSA-N 0 0 400.569 5.047 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295690 569369304 /nfs/dbraw/zinc/36/93/04/569369304.db2.gz VDDMRDHRVKPUEB-UHFFFAOYSA-N 0 0 416.590 6.078 50 0 HKAARN COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000002295714 569369396 /nfs/dbraw/zinc/36/93/96/569369396.db2.gz NKRNTJWYFUWBJU-VWLOTQADSA-N 0 0 416.525 5.233 50 0 HKAARN COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000002295715 569369312 /nfs/dbraw/zinc/36/93/12/569369312.db2.gz NKRNTJWYFUWBJU-RUZDIDTESA-N 0 0 416.525 5.233 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002295928 132251927 /nfs/dbraw/zinc/25/19/27/132251927.db2.gz OAJJSJMMTHJBHU-FQEVSTJZSA-N 0 0 404.338 5.462 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002295929 132251992 /nfs/dbraw/zinc/25/19/92/132251992.db2.gz OAJJSJMMTHJBHU-HXUWFJFHSA-N 0 0 404.338 5.462 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000002296031 569369381 /nfs/dbraw/zinc/36/93/81/569369381.db2.gz FPMWSFCOUIUEDA-UHFFFAOYSA-N 0 0 418.587 5.774 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCc1ccccc1-3 ZINC000002296051 557687240 /nfs/dbraw/zinc/68/72/40/557687240.db2.gz VGDLYYNGFHYXJT-UHFFFAOYSA-N 0 0 410.608 5.916 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002296235 569369451 /nfs/dbraw/zinc/36/94/51/569369451.db2.gz WGZJZTFNXODANE-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN Cc1cc2nc(SCCOC(=O)Nc3ccc(Cl)cc3)nc(C)c2cc1C ZINC000002296248 557335187 /nfs/dbraw/zinc/33/51/87/557335187.db2.gz LOHDSZROVNJVOB-UHFFFAOYSA-N 0 0 401.919 5.549 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCc1ccccc1-3 ZINC000002296268 569369431 /nfs/dbraw/zinc/36/94/31/569369431.db2.gz OEJPQVYQWWGXAG-UHFFFAOYSA-N 0 0 404.560 5.633 50 0 HKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1-2 ZINC000002296272 557335106 /nfs/dbraw/zinc/33/51/06/557335106.db2.gz ZXMLDBYHBNUEPA-AREMUKBSSA-N 0 0 419.436 5.857 50 0 HKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1-2 ZINC000002296273 557335119 /nfs/dbraw/zinc/33/51/19/557335119.db2.gz ZXMLDBYHBNUEPA-SANMLTNESA-N 0 0 419.436 5.857 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)CC[C@H](C)C3 ZINC000002296410 569369480 /nfs/dbraw/zinc/36/94/80/569369480.db2.gz QBTDDDYGKURSSY-LBPRGKRZSA-N 0 0 412.609 5.478 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)CC[C@@H](C)C3 ZINC000002296411 569369447 /nfs/dbraw/zinc/36/94/47/569369447.db2.gz QBTDDDYGKURSSY-GFCCVEGCSA-N 0 0 412.609 5.478 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000002296424 569369420 /nfs/dbraw/zinc/36/94/20/569369420.db2.gz VBCWUUQHZWZVHU-ZDUSSCGKSA-N 0 0 400.569 5.083 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 ZINC000002296425 569369459 /nfs/dbraw/zinc/36/94/59/569369459.db2.gz VBCWUUQHZWZVHU-CYBMUJFWSA-N 0 0 400.569 5.083 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3N3CCC(C)CC3)c2c2c1COC(C)(C)C2 ZINC000002296477 132251981 /nfs/dbraw/zinc/25/19/81/132251981.db2.gz VZAMQFYLNZQQPO-UHFFFAOYSA-N 0 0 410.587 5.451 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002296637 569369410 /nfs/dbraw/zinc/36/94/10/569369410.db2.gz IZMGMKPXWSFSPT-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@](C)(CC)C4 ZINC000002296664 557335175 /nfs/dbraw/zinc/33/51/75/557335175.db2.gz SGFNZVZFQBBEGQ-GOSISDBHSA-N 0 0 408.618 5.195 50 0 HKAARN CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@](C)(CC)C4 ZINC000002296665 557335115 /nfs/dbraw/zinc/33/51/15/557335115.db2.gz SGFNZVZFQBBEGQ-SFHVURJKSA-N 0 0 408.618 5.195 50 0 HKAARN Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 ZINC000002296797 557335059 /nfs/dbraw/zinc/33/50/59/557335059.db2.gz XDIDRMDCJNWUHI-UHFFFAOYSA-N 0 0 412.485 5.571 50 0 HKAARN CCCCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002296807 569369418 /nfs/dbraw/zinc/36/94/18/569369418.db2.gz JWPAVJICDHBHEA-UHFFFAOYSA-N 0 0 412.603 6.206 50 0 HKAARN COc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000002296880 569369448 /nfs/dbraw/zinc/36/94/48/569369448.db2.gz FGFHWDCGKMSGFO-UHFFFAOYSA-N 0 0 420.559 5.237 50 0 HKAARN COc1cccc(-n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)c1 ZINC000002296883 557335079 /nfs/dbraw/zinc/33/50/79/557335079.db2.gz WXPIKKPCWSJSGB-UHFFFAOYSA-N 0 0 404.535 5.329 50 0 HKAARN Cc1cccc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)c1 ZINC000002296938 569369584 /nfs/dbraw/zinc/36/95/84/569369584.db2.gz RSNCXGGKVQBCKO-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN Brc1ccc2c(ccc3c2CN(c2ccccc2Br)CO3)c1 ZINC000002296988 532967185 /nfs/dbraw/zinc/96/71/85/532967185.db2.gz HXZXJYXKGCCCOH-UHFFFAOYSA-N 0 0 419.116 5.721 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc(Br)c1CC(C)C ZINC000002297170 557335052 /nfs/dbraw/zinc/33/50/52/557335052.db2.gz DVWYMIQSALXKPW-UHFFFAOYSA-N 0 0 410.333 5.138 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(C)cc(OCc4c(F)cccc4Cl)c32)cc1 ZINC000002297198 569369553 /nfs/dbraw/zinc/36/95/53/569369553.db2.gz PMUSTQRZXHNKFI-UHFFFAOYSA-N 0 0 424.855 6.149 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002297368 569369542 /nfs/dbraw/zinc/36/95/42/569369542.db2.gz JUGDBUVJLLXQMW-UHFFFAOYSA-N 0 0 407.477 5.025 50 0 HKAARN Cc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002297417 569369541 /nfs/dbraw/zinc/36/95/41/569369541.db2.gz WXKONGGFLZTRNC-UHFFFAOYSA-N 0 0 404.539 5.054 50 0 HKAARN CCCCN(CCCC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000002297450 569369588 /nfs/dbraw/zinc/36/95/88/569369588.db2.gz YNKRXLGXJNJUGB-UHFFFAOYSA-N 0 0 410.631 6.648 50 0 HKAARN CCCCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002297454 569369574 /nfs/dbraw/zinc/36/95/74/569369574.db2.gz WAGOWCHOYPYNGQ-UHFFFAOYSA-N 0 0 416.594 6.412 50 0 HKAARN Clc1ccc(CSc2nnc(C3(c4ccccc4)CCCC3)o2)cc1Cl ZINC000002297507 557335086 /nfs/dbraw/zinc/33/50/86/557335086.db2.gz RSENAPGOTJBKMY-UHFFFAOYSA-N 0 0 405.350 6.529 50 0 HKAARN CCCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCc1ccccc1-3 ZINC000002297574 569369583 /nfs/dbraw/zinc/36/95/83/569369583.db2.gz CRPLCDYPLLSYSV-UHFFFAOYSA-N 0 0 424.635 6.306 50 0 HKAARN CCCc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1CCCC2 ZINC000002297636 569369629 /nfs/dbraw/zinc/36/96/29/569369629.db2.gz JUYDDXWQXOECRG-UHFFFAOYSA-N 0 0 405.592 6.363 50 0 HKAARN CC(C)Sc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002297662 557335075 /nfs/dbraw/zinc/33/50/75/557335075.db2.gz AJQNTIIYLLTUHF-UHFFFAOYSA-N 0 0 420.578 5.810 50 0 biogenic HKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000002297746 569369620 /nfs/dbraw/zinc/36/96/20/569369620.db2.gz KBUCURXYIOHXBM-AREMUKBSSA-N 0 0 424.504 5.413 50 0 HKAARN COc1ccc(N2N=C(C(C)=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000002297747 569369561 /nfs/dbraw/zinc/36/95/61/569369561.db2.gz KBUCURXYIOHXBM-SANMLTNESA-N 0 0 424.504 5.413 50 0 HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc32)N1C1CCCCC1 ZINC000002297882 569369602 /nfs/dbraw/zinc/36/96/02/569369602.db2.gz MXKDVRWNBFYCCM-VWLOTQADSA-N 0 0 400.526 5.532 50 0 HKAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc32)N1C1CCCCC1 ZINC000002297883 569369595 /nfs/dbraw/zinc/36/95/95/569369595.db2.gz MXKDVRWNBFYCCM-RUZDIDTESA-N 0 0 400.526 5.532 50 0 HKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4ccccc4C)sc3nc3c2CCCC3)o1 ZINC000002297884 557335171 /nfs/dbraw/zinc/33/51/71/557335171.db2.gz REQXOBXSEGWEBJ-UHFFFAOYSA-N 0 0 417.534 5.886 50 0 HKAARN COc1ccc(C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000002297931 557335361 /nfs/dbraw/zinc/33/53/61/557335361.db2.gz CLIKRGUWWVJIQT-UHFFFAOYSA-N 0 0 420.848 5.384 50 0 biogenic HKAARN CCCOc1ccc(-c2nc3ccccc3c(Oc3ccc(C(=O)OC)cc3)n2)cc1 ZINC000002298017 557335407 /nfs/dbraw/zinc/33/54/07/557335407.db2.gz SFPPNBZCIOIKGG-UHFFFAOYSA-N 0 0 414.461 5.665 50 0 HKAARN Cc1ccc(-c2c3c(N)c(C(=O)Nc4cccc(C)c4)sc3nc3c2CCCC3)o1 ZINC000002298442 569369547 /nfs/dbraw/zinc/36/95/47/569369547.db2.gz KSBXJXVLVMJCLT-UHFFFAOYSA-N 0 0 417.534 5.886 50 0 HKAARN Cc1ccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002298777 557335418 /nfs/dbraw/zinc/33/54/18/557335418.db2.gz OLDCPUYOXAVKLC-UHFFFAOYSA-N 0 0 412.485 5.571 50 0 HKAARN COc1ccc(C2=C(Cl)C=C(c3ccccc3C)c3ccccc3O2)cc1OC ZINC000002298779 569369600 /nfs/dbraw/zinc/36/96/00/569369600.db2.gz FBZZSGYVYWLWPN-UHFFFAOYSA-N 0 0 404.893 6.444 50 0 biogenic HKAARN CCCCOc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000002298836 569369607 /nfs/dbraw/zinc/36/96/07/569369607.db2.gz DKTQOVKAGWAMIU-UHFFFAOYSA-N 0 0 409.511 5.530 50 0 HKAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1N1CCCCC1 ZINC000002298858 534944914 /nfs/dbraw/zinc/94/49/14/534944914.db2.gz BRSGXAFJKBGYHL-UHFFFAOYSA-N 0 0 420.538 5.341 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000002298946 557335413 /nfs/dbraw/zinc/33/54/13/557335413.db2.gz ZAQIGWQHVVZPKW-UHFFFAOYSA-N 0 0 404.560 5.384 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002299002 569369560 /nfs/dbraw/zinc/36/95/60/569369560.db2.gz NIEMIKPXEUSWHV-UHFFFAOYSA-N 0 0 416.590 6.078 50 0 biogenic HKAARN c1ccc(-c2nc3sc4c(ncnc4NC[C@H]4CCCO4)c3c3c2CCCC3)cc1 ZINC000002299362 569369695 /nfs/dbraw/zinc/36/96/95/569369695.db2.gz CAHCKVXOLBAQHU-MRXNPFEDSA-N 0 0 416.550 5.376 50 0 HKAARN c1ccc(-c2nc3sc4c(ncnc4NC[C@@H]4CCCO4)c3c3c2CCCC3)cc1 ZINC000002299363 569369679 /nfs/dbraw/zinc/36/96/79/569369679.db2.gz CAHCKVXOLBAQHU-INIZCTEOSA-N 0 0 416.550 5.376 50 0 HKAARN c1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc43)ccc2n1-c1ccccc1 ZINC000002299516 569369958 /nfs/dbraw/zinc/36/99/58/569369958.db2.gz BGBFOSNZAXCYIN-UHFFFAOYSA-N 0 0 413.484 6.379 50 0 HKAARN COc1ccc(C2(C(=O)NCC3(c4ccccc4)CCCC3)CCCC2)cc1OC ZINC000002299600 557335446 /nfs/dbraw/zinc/33/54/46/557335446.db2.gz VSUWQKQJYFVVRX-UHFFFAOYSA-N 0 0 407.554 5.144 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000002299702 569370048 /nfs/dbraw/zinc/37/00/48/569370048.db2.gz UCRKYDJELCZKDN-MOSHPQCFSA-N 0 0 424.283 5.917 50 0 HKAARN O=C(NC(=O)C(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000002299866 557335428 /nfs/dbraw/zinc/33/54/28/557335428.db2.gz YXMPKADXRPLQLC-UHFFFAOYSA-N 0 0 420.512 5.434 50 0 HKAARN Cc1c(OCC(=O)c2ccc(-c3ccccc3)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002299954 557335438 /nfs/dbraw/zinc/33/54/38/557335438.db2.gz PZBMOKVVIORWRU-UHFFFAOYSA-N 0 0 410.469 5.519 50 0 HKAARN O=C(NC1CCCCC1)N(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CCCCC1 ZINC000002300040 557335444 /nfs/dbraw/zinc/33/54/44/557335444.db2.gz FTKXCQHBOQTWMH-UHFFFAOYSA-N 0 0 421.585 5.864 50 0 HKAARN Cc1ccccc1-n1c(=O)c2c(nc1SCc1ccccc1)sc1c2CCCC1 ZINC000002300188 557335342 /nfs/dbraw/zinc/33/53/42/557335342.db2.gz XFHYKUUZDCOJEO-UHFFFAOYSA-N 0 0 418.587 5.927 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2o1 ZINC000002300522 557335403 /nfs/dbraw/zinc/33/54/03/557335403.db2.gz MWOAFYUHKVSLAB-UHFFFAOYSA-N 0 0 418.317 5.735 50 0 HKAARN Cc1cc(C)cc(Cc2cc3cc(-c4ccc(Br)cc4)cn3cc2C)c1 ZINC000002300568 569372083 /nfs/dbraw/zinc/37/20/83/569372083.db2.gz NBIKCZVOWHYSKC-UHFFFAOYSA-N 0 0 404.351 6.885 50 0 HKAARN COC(=O)C1=C(N)Oc2c3ccccc3ccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000002300592 569372106 /nfs/dbraw/zinc/37/21/06/569372106.db2.gz DLFCPTOUKFXPSL-QGZVFWFLSA-N 0 0 400.261 5.014 50 0 HKAARN COC(=O)C1=C(N)Oc2c3ccccc3ccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000002300593 569372077 /nfs/dbraw/zinc/37/20/77/569372077.db2.gz DLFCPTOUKFXPSL-KRWDZBQOSA-N 0 0 400.261 5.014 50 0 HKAARN CC1(C)Cc2c3c(N)c(C(=O)c4ccc(Cl)cc4)oc3nc(-c3ccco3)c2CO1 ZINC000002300604 569372056 /nfs/dbraw/zinc/37/20/56/569372056.db2.gz PNNRMDDTNQTYIP-UHFFFAOYSA-N 0 0 422.868 5.406 50 0 HKAARN O=C1OC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000002300690 557335458 /nfs/dbraw/zinc/33/54/58/557335458.db2.gz BXXPJUASBYVZMD-PXLXIMEGSA-N 0 0 409.420 5.023 50 0 HKAARN CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCC1)Cc1ccccc1-2 ZINC000002300895 569372186 /nfs/dbraw/zinc/37/21/86/569372186.db2.gz VTRHHYPXKGJXGV-UHFFFAOYSA-N 0 0 418.562 5.388 50 0 HKAARN Cc1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)c1 ZINC000002300923 557335652 /nfs/dbraw/zinc/33/56/52/557335652.db2.gz IDUJAFMTMRZVJJ-UHFFFAOYSA-N 0 0 424.729 6.765 50 0 HKAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002301117 557335733 /nfs/dbraw/zinc/33/57/33/557335733.db2.gz XFIRNTCWMZIFBC-UHFFFAOYSA-N 0 0 420.140 5.175 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc2ccccc2c1 ZINC000002301252 569372227 /nfs/dbraw/zinc/37/22/27/569372227.db2.gz NPMHHSIUJIJNGF-UHFFFAOYSA-N 0 0 417.295 6.513 50 0 HKAARN Fc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(F)cc2)cc1 ZINC000002301993 569372238 /nfs/dbraw/zinc/37/22/38/569372238.db2.gz HCCQREMYSDHGPG-UHFFFAOYSA-N 0 0 411.249 6.451 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002302182 557335672 /nfs/dbraw/zinc/33/56/72/557335672.db2.gz GZPYPTIJCGUXTL-UHFFFAOYSA-N 0 0 418.496 6.574 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000002302193 557335665 /nfs/dbraw/zinc/33/56/65/557335665.db2.gz QUSAHMCINDXKHQ-UHFFFAOYSA-N 0 0 401.466 5.629 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)sc2c1 ZINC000002302619 557335612 /nfs/dbraw/zinc/33/56/12/557335612.db2.gz HXUVVNDCKQSEEG-UHFFFAOYSA-N 0 0 413.329 6.831 50 0 HKAARN Cc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000002302647 569372246 /nfs/dbraw/zinc/37/22/46/569372246.db2.gz AWGSJZXTTNRYCP-UHFFFAOYSA-N 0 0 415.294 5.707 50 0 HKAARN CCc1ccccc1Nc1nc(Nc2ccccc2CC)nc(N2CCC(C)CC2)n1 ZINC000002302675 535963741 /nfs/dbraw/zinc/96/37/41/535963741.db2.gz DTGABDBYDYCBQG-UHFFFAOYSA-N 0 0 416.573 5.720 50 0 HKAARN Cn1nc(C(=O)Nc2cccc3ccccc32)cc1C(=O)Nc1cccc2ccccc21 ZINC000002302807 569372203 /nfs/dbraw/zinc/37/22/03/569372203.db2.gz AYNOAFKHSPVKCV-UHFFFAOYSA-N 0 0 420.472 5.231 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cccc3ccccc32)OC1=O ZINC000002302837 569372211 /nfs/dbraw/zinc/37/22/11/569372211.db2.gz MQVBZKLKOZSUTR-STZFKDTASA-N 0 0 413.864 5.332 50 0 HKAARN CCOC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000002302926 569372197 /nfs/dbraw/zinc/37/21/97/569372197.db2.gz IVOFIQRVHUNMTG-UHFFFAOYSA-N 0 0 417.892 6.164 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCCCCC1 ZINC000002303015 569372209 /nfs/dbraw/zinc/37/22/09/569372209.db2.gz IMZXKKZOUSTUGD-UHFFFAOYSA-N 0 0 424.570 5.609 50 0 HKAARN COc1ccc(-c2cc(C(=O)Oc3cc(C)ccc3C(C)C)c3ccccc3n2)cc1 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/nfs/dbraw/zinc/37/61/10/569376110.db2.gz ZYZKJFIUHIBWHD-UHFFFAOYSA-N 0 0 407.857 5.153 50 0 HKAARN NC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCC2 ZINC000002337928 557338239 /nfs/dbraw/zinc/33/82/39/557338239.db2.gz VLEAMLHHKSKJLM-UHFFFAOYSA-N 0 0 411.335 5.110 50 0 HKAARN Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n1 ZINC000002338343 569376125 /nfs/dbraw/zinc/37/61/25/569376125.db2.gz FZWDYPREYBVEBF-UHFFFAOYSA-N 0 0 403.869 5.331 50 0 HKAARN COc1ccc([C@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 ZINC000002338422 569376131 /nfs/dbraw/zinc/37/61/31/569376131.db2.gz SNUVWUQXQNZOPQ-SANMLTNESA-N 0 0 422.553 6.511 50 0 HKAARN COc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 ZINC000002338424 569376118 /nfs/dbraw/zinc/37/61/18/569376118.db2.gz SNUVWUQXQNZOPQ-AREMUKBSSA-N 0 0 422.553 6.511 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)cc1 ZINC000002338459 569376155 /nfs/dbraw/zinc/37/61/55/569376155.db2.gz BAKXVCCPSCFPRC-UHFFFAOYSA-N 0 0 424.573 6.534 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc3ccccc32)cc1 ZINC000002338865 569376150 /nfs/dbraw/zinc/37/61/50/569376150.db2.gz HGFJDOYCWZJKNP-UHFFFAOYSA-N 0 0 422.484 5.304 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccccc1C ZINC000002339023 569376136 /nfs/dbraw/zinc/37/61/36/569376136.db2.gz IZFLBIOUQGYTDN-UHFFFAOYSA-N 0 0 416.908 5.903 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000002339175 557338257 /nfs/dbraw/zinc/33/82/57/557338257.db2.gz PXRXYAZWZLXZKM-UHFFFAOYSA-N 0 0 424.287 6.959 50 0 HKAARN COc1ccc(-c2c3c4n(cc(-c5ccc(Cl)cc5)n4CCCC3)c2C(C)=O)cc1 ZINC000002339240 569376123 /nfs/dbraw/zinc/37/61/23/569376123.db2.gz YXIBHDILXFPEJD-UHFFFAOYSA-N 0 0 418.924 6.276 50 0 HKAARN COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 ZINC000002339455 557338279 /nfs/dbraw/zinc/33/82/79/557338279.db2.gz JYHNDASNQCXJPR-QGZVFWFLSA-N 0 0 417.896 5.279 50 0 HKAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 ZINC000002339457 557338176 /nfs/dbraw/zinc/33/81/76/557338176.db2.gz JYHNDASNQCXJPR-KRWDZBQOSA-N 0 0 417.896 5.279 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(SCc3ccccc3Cl)s2)c1 ZINC000002339476 557338254 /nfs/dbraw/zinc/33/82/54/557338254.db2.gz JVQJNQLSUKSXFK-UHFFFAOYSA-N 0 0 406.920 5.136 50 0 HKAARN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)Cc1ccccc1 ZINC000002339722 569376265 /nfs/dbraw/zinc/37/62/65/569376265.db2.gz ABTGLRLQWCUXGE-UHFFFAOYSA-N 0 0 409.507 5.172 50 0 HKAARN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000002339908 557338604 /nfs/dbraw/zinc/33/86/04/557338604.db2.gz RTYXPJMQOKEUQB-UHFFFAOYSA-N 0 0 420.896 6.090 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccccc1 ZINC000002340111 569376223 /nfs/dbraw/zinc/37/62/23/569376223.db2.gz QWGILMRSOWVCQV-UHFFFAOYSA-N 0 0 402.881 5.594 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cnccn2)cc1 ZINC000002340145 557338491 /nfs/dbraw/zinc/33/84/91/557338491.db2.gz PTSNRFREGDZWED-UHFFFAOYSA-N 0 0 415.566 5.623 50 0 HKAARN CCc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)CC(C)(C)OC3 ZINC000002340720 569376331 /nfs/dbraw/zinc/37/63/31/569376331.db2.gz BTZYVUSXHDEQSY-UHFFFAOYSA-N 0 0 410.568 5.045 50 0 HKAARN CCc1nc2sc3c(c2c(SCc2ccc4c(c2)OCO4)n1)CC(C)(C)OC3 ZINC000002340845 569376421 /nfs/dbraw/zinc/37/64/21/569376421.db2.gz KPJNRFSWKLVIIZ-UHFFFAOYSA-N 0 0 414.552 5.126 50 0 HKAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)Cc1cccs1 ZINC000002340941 132252871 /nfs/dbraw/zinc/25/28/71/132252871.db2.gz SKTONNXIKSAXAW-UHFFFAOYSA-N 0 0 419.618 6.101 50 0 HKAARN Cc1ccc(OCc2nnc(SCc3ccccc3C)n2-c2ccccc2)cc1 ZINC000002341061 569376400 /nfs/dbraw/zinc/37/64/00/569376400.db2.gz AICJFENUDZFEMM-UHFFFAOYSA-N 0 0 401.535 5.755 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002341206 557338524 /nfs/dbraw/zinc/33/85/24/557338524.db2.gz SRZJZMNDXYNHTE-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN COc1ccccc1NC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000002341341 569376407 /nfs/dbraw/zinc/37/64/07/569376407.db2.gz 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ZINC000002342015 569376394 /nfs/dbraw/zinc/37/63/94/569376394.db2.gz WHFGSSUAWWHSRO-UHFFFAOYSA-N 0 0 400.474 6.000 50 0 biogenic HKAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SC/C=C/c2ccccc2)cc1 ZINC000002342751 557338556 /nfs/dbraw/zinc/33/85/56/557338556.db2.gz RHRQHGUFFDDAOF-DHZHZOJOSA-N 0 0 413.546 5.960 50 0 HKAARN Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002342813 557338482 /nfs/dbraw/zinc/33/84/82/557338482.db2.gz UNZNWYGMBNSWFQ-UHFFFAOYSA-N 0 0 413.590 6.739 50 0 HKAARN CCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 ZINC000002342862 569376431 /nfs/dbraw/zinc/37/64/31/569376431.db2.gz ZZSBMBANMQXTOS-UHFFFAOYSA-N 0 0 409.917 5.217 50 0 HKAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1Br ZINC000002343782 569376514 /nfs/dbraw/zinc/37/65/14/569376514.db2.gz QJPRRGPNXPJCES-UHFFFAOYSA-N 0 0 400.272 5.092 50 0 HKAARN Cc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000002343842 569376528 /nfs/dbraw/zinc/37/65/28/569376528.db2.gz UKYRWTJOKZXHAC-RBBKRZOGSA-N 0 0 418.338 6.254 50 0 HKAARN Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000002343845 569376473 /nfs/dbraw/zinc/37/64/73/569376473.db2.gz UKYRWTJOKZXHAC-UNMCSNQZSA-N 0 0 418.338 6.254 50 0 HKAARN Cc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000002343848 569376524 /nfs/dbraw/zinc/37/65/24/569376524.db2.gz UKYRWTJOKZXHAC-IFMALSPDSA-N 0 0 418.338 6.254 50 0 HKAARN Cc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000002343851 569376486 /nfs/dbraw/zinc/37/64/86/569376486.db2.gz UKYRWTJOKZXHAC-IRLDBZIGSA-N 0 0 418.338 6.254 50 0 HKAARN COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2)cc1O ZINC000002344084 569376500 /nfs/dbraw/zinc/37/65/00/569376500.db2.gz CGOPCBWAOFNWEJ-UHFFFAOYSA-N 0 0 400.434 5.229 50 0 HKAARN S=C1N=NC(COc2ccc(Cl)cc2Cl)N1c1cccc2ccccc21 ZINC000002344229 557338785 /nfs/dbraw/zinc/33/87/85/557338785.db2.gz OXWOTFNGHIJWAH-UHFFFAOYSA-N 0 0 402.306 5.595 50 0 HKAARN Fc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 ZINC000002344273 569376615 /nfs/dbraw/zinc/37/66/15/569376615.db2.gz WKWGMGBRMLEORL-RUZDIDTESA-N 0 0 410.517 6.641 50 0 HKAARN Fc1ccc([C@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 ZINC000002344276 569376589 /nfs/dbraw/zinc/37/65/89/569376589.db2.gz WKWGMGBRMLEORL-VWLOTQADSA-N 0 0 410.517 6.641 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000002344291 569376631 /nfs/dbraw/zinc/37/66/31/569376631.db2.gz GGPUBMZDUVUFPB-QHCPKHFHSA-N 0 0 413.448 5.028 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000002344293 569376606 /nfs/dbraw/zinc/37/66/06/569376606.db2.gz GGPUBMZDUVUFPB-HSZRJFAPSA-N 0 0 413.448 5.028 50 0 HKAARN Cc1cc(C)n(-c2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn32)n1 ZINC000002344320 569376623 /nfs/dbraw/zinc/37/66/23/569376623.db2.gz WKZDCLWOLKNUIF-UHFFFAOYSA-N 0 0 407.521 5.406 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000002344361 569376608 /nfs/dbraw/zinc/37/66/08/569376608.db2.gz KIBHBQZLICAOSB-UHFFFAOYSA-N 0 0 403.413 5.194 50 0 HKAARN CCCCOC(=O)c1ccc(N[C@@H](c2ccc(C)cc2)P(=O)(OC)OC)cc1 ZINC000002344578 569376638 /nfs/dbraw/zinc/37/66/38/569376638.db2.gz NOUMJEBAGCXYQE-HXUWFJFHSA-N 0 0 405.431 5.549 50 0 HKAARN CCCCOC(=O)c1ccc(N[C@H](c2ccc(C)cc2)P(=O)(OC)OC)cc1 ZINC000002344579 569376617 /nfs/dbraw/zinc/37/66/17/569376617.db2.gz NOUMJEBAGCXYQE-FQEVSTJZSA-N 0 0 405.431 5.549 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)c1=O ZINC000002345246 569376600 /nfs/dbraw/zinc/37/66/00/569376600.db2.gz RPZGTCSDEZNMNO-UHFFFAOYSA-N 0 0 415.880 5.114 50 0 HKAARN CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 ZINC000002345513 569378103 /nfs/dbraw/zinc/37/81/03/569378103.db2.gz UGFYAIXMQHWEDG-UHFFFAOYSA-N 0 0 424.449 5.022 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000002345710 569378424 /nfs/dbraw/zinc/37/84/24/569378424.db2.gz FNXLEVXGSMDULG-UHFFFAOYSA-N 0 0 411.339 5.781 50 0 HKAARN COc1cc2c(cc1OC)C(c1cc(-c3cc(Cl)ccc3Cl)oc1C)=NCC2 ZINC000002345758 569378413 /nfs/dbraw/zinc/37/84/13/569378413.db2.gz RCYDLUNGYKRHFQ-UHFFFAOYSA-N 0 0 416.304 5.973 50 0 HKAARN Clc1cccc(-n2ncc3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc32)c1 ZINC000002345793 569378471 /nfs/dbraw/zinc/37/84/71/569378471.db2.gz RGQOUYMWPZOHBD-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2ccco2)n1)C[C@@](C)(CC)OC3 ZINC000002345839 569378473 /nfs/dbraw/zinc/37/84/73/569378473.db2.gz HQRVPSCUQVNLJX-HXUWFJFHSA-N 0 0 403.573 5.640 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2ccco2)n1)C[C@](C)(CC)OC3 ZINC000002345841 569378452 /nfs/dbraw/zinc/37/84/52/569378452.db2.gz HQRVPSCUQVNLJX-FQEVSTJZSA-N 0 0 403.573 5.640 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C(c1ccccc1)c1ccccc1 ZINC000002346188 557338807 /nfs/dbraw/zinc/33/88/07/557338807.db2.gz UPKISWPKGWKBLZ-UHFFFAOYSA-N 0 0 403.485 6.001 50 0 HKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2cccs2)cc1 ZINC000002346228 557699142 /nfs/dbraw/zinc/69/91/42/557699142.db2.gz SAUFPCWSAVRNNS-UHFFFAOYSA-N 0 0 415.518 5.139 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000002346463 557338816 /nfs/dbraw/zinc/33/88/16/557338816.db2.gz HLIKBPPHGKLHAF-UHFFFAOYSA-N 0 0 423.925 5.523 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccccc21 ZINC000002346508 132252948 /nfs/dbraw/zinc/25/29/48/132252948.db2.gz WMVVRGRBAZJJRT-UHFFFAOYSA-N 0 0 406.557 6.218 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 ZINC000002346609 557339109 /nfs/dbraw/zinc/33/91/09/557339109.db2.gz MMGHFKYWRCYRSR-UHFFFAOYSA-N 0 0 411.527 5.826 50 0 HKAARN CCn1c(=O)c2c(nc1SCCc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002346626 569379277 /nfs/dbraw/zinc/37/92/77/569379277.db2.gz GWUZTCPCMMBEFB-UHFFFAOYSA-N 0 0 416.590 5.633 50 0 biogenic HKAARN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C2CCCCC2)c(-c2ccccc2)c1=O ZINC000002346644 569379289 /nfs/dbraw/zinc/37/92/89/569379289.db2.gz CQPCGNPZHYJQJC-UHFFFAOYSA-N 0 0 421.928 5.380 50 0 HKAARN O=C(c1sc(Cl)c(Cl)c1Cl)c1sc(Cl)c(Cl)c1Cl ZINC000002346704 569379311 /nfs/dbraw/zinc/37/93/11/569379311.db2.gz DKBYFYMQZIMUAH-UHFFFAOYSA-N 0 0 400.950 6.961 50 0 HKAARN CC(C)(C)NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2c1N ZINC000002346813 569379287 /nfs/dbraw/zinc/37/92/87/569379287.db2.gz JUZKGGRSQSXJCE-UHFFFAOYSA-N 0 0 419.525 5.880 50 0 HKAARN CCCCSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 ZINC000002346873 557339112 /nfs/dbraw/zinc/33/91/12/557339112.db2.gz SORFFQBPJOVHFT-UHFFFAOYSA-N 0 0 404.579 5.685 50 0 HKAARN CC(C)(C)c1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002347459 132253031 /nfs/dbraw/zinc/25/30/31/132253031.db2.gz JAPPYXMKODXJBO-UHFFFAOYSA-N 0 0 424.592 6.153 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002347581 569379388 /nfs/dbraw/zinc/37/93/88/569379388.db2.gz KXKPPDDYEBICQP-UHFFFAOYSA-N 0 0 413.868 5.062 50 0 HKAARN CC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000002347700 569379409 /nfs/dbraw/zinc/37/94/09/569379409.db2.gz QDDZRHHYNAPSFM-LADGPHEKSA-N 0 0 403.607 5.690 50 0 HKAARN CC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000002347701 569379395 /nfs/dbraw/zinc/37/93/95/569379395.db2.gz QDDZRHHYNAPSFM-UPVQGACJSA-N 0 0 403.607 5.690 50 0 HKAARN CC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000002347702 569379397 /nfs/dbraw/zinc/37/93/97/569379397.db2.gz QDDZRHHYNAPSFM-ISKFKSNPSA-N 0 0 403.607 5.690 50 0 HKAARN CC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000002347703 569379419 /nfs/dbraw/zinc/37/94/19/569379419.db2.gz QDDZRHHYNAPSFM-VWNXMTODSA-N 0 0 403.607 5.690 50 0 HKAARN CC(C)Cc1csc(C(=O)Nc2ccccc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000002347736 569379413 /nfs/dbraw/zinc/37/94/13/569379413.db2.gz IRJFAKGWNJEHBD-UHFFFAOYSA-N 0 0 412.942 6.105 50 0 HKAARN COc1cccc([C@@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000002347831 557339102 /nfs/dbraw/zinc/33/91/02/557339102.db2.gz LSYAPUNUDWMLKL-SANMLTNESA-N 0 0 412.533 6.013 50 0 HKAARN COc1cccc([C@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000002347833 557339096 /nfs/dbraw/zinc/33/90/96/557339096.db2.gz LSYAPUNUDWMLKL-AREMUKBSSA-N 0 0 412.533 6.013 50 0 HKAARN CCCCc1nc2sc3c(ncnc3N(CCCC)CCCC)c2c2c1CCC2 ZINC000002348144 569379431 /nfs/dbraw/zinc/37/94/31/569379431.db2.gz QVJZRYXXKAWKAE-UHFFFAOYSA-N 0 0 410.631 6.477 50 0 HKAARN COc1ccc(COc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)cc1 ZINC000002348214 569379410 /nfs/dbraw/zinc/37/94/10/569379410.db2.gz MHTRGJCSXAGXFB-UHFFFAOYSA-N 0 0 420.892 5.933 50 0 HKAARN CC(C)(C)N(Cc1ccccc1)C(=O)CCCCCCN1C(=O)c2ccccc2C1=O ZINC000002348371 569380577 /nfs/dbraw/zinc/38/05/77/569380577.db2.gz RGRLGCMZMKKOKL-UHFFFAOYSA-N 0 0 420.553 5.060 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2Cl)cc1 ZINC000002348384 569380482 /nfs/dbraw/zinc/38/04/82/569380482.db2.gz YFFDMIFPFKXWBQ-UHFFFAOYSA-N 0 0 420.896 5.195 50 0 HKAARN COC(=O)COc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000002348577 569380593 /nfs/dbraw/zinc/38/05/93/569380593.db2.gz ODOZIYSLZQHMNS-UHFFFAOYSA-N 0 0 419.868 5.246 50 0 HKAARN Cc1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)cc1 ZINC000002348715 569380600 /nfs/dbraw/zinc/38/06/00/569380600.db2.gz VKHGMKDKFXEQSJ-UHFFFAOYSA-N 0 0 424.729 6.765 50 0 HKAARN Brc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000002348813 557339090 /nfs/dbraw/zinc/33/90/90/557339090.db2.gz SKJUHSHXGYTLID-UHFFFAOYSA-N 0 0 416.300 5.234 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002348841 557339070 /nfs/dbraw/zinc/33/90/70/557339070.db2.gz JTRDZJZSSLCNGI-UHFFFAOYSA-N 0 0 403.960 5.263 50 0 HKAARN CCCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000002348963 569380548 /nfs/dbraw/zinc/38/05/48/569380548.db2.gz DZXOQOBGQVPZMR-UHFFFAOYSA-N 0 0 424.548 6.005 50 0 HKAARN Cc1nnc2c3c4c(sc3ncn12)[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C4 ZINC000002349351 569380693 /nfs/dbraw/zinc/38/06/93/569380693.db2.gz ZYIZZRZMXVJXGX-UYAOXDASSA-N 0 0 414.559 5.767 50 0 HKAARN Cc1nnc2c3c4c(sc3ncn12)[C@@H](c1ccccc1)S[C@H](c1ccccc1)C4 ZINC000002349352 569380627 /nfs/dbraw/zinc/38/06/27/569380627.db2.gz ZYIZZRZMXVJXGX-AZUAARDMSA-N 0 0 414.559 5.767 50 0 HKAARN Cc1nnc2c3c4c(sc3ncn12)[C@H](c1ccccc1)S[C@@H](c1ccccc1)C4 ZINC000002349353 569380672 /nfs/dbraw/zinc/38/06/72/569380672.db2.gz ZYIZZRZMXVJXGX-QUCCMNQESA-N 0 0 414.559 5.767 50 0 HKAARN Cc1nnc2c3c4c(sc3ncn12)[C@H](c1ccccc1)S[C@H](c1ccccc1)C4 ZINC000002349354 569380645 /nfs/dbraw/zinc/38/06/45/569380645.db2.gz ZYIZZRZMXVJXGX-ICSRJNTNSA-N 0 0 414.559 5.767 50 0 HKAARN COc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCCO)cc1 ZINC000002349358 569380678 /nfs/dbraw/zinc/38/06/78/569380678.db2.gz ZILOUPJAOHLEMJ-UHFFFAOYSA-N 0 0 423.516 5.528 50 0 HKAARN COc1ccc(OC)c([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c1 ZINC000002349376 569380687 /nfs/dbraw/zinc/38/06/87/569380687.db2.gz HWJMPIBBUPXZRY-NRFANRHFSA-N 0 0 412.463 5.586 50 0 HKAARN COc1ccc(OC)c([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c1 ZINC000002349377 569380643 /nfs/dbraw/zinc/38/06/43/569380643.db2.gz HWJMPIBBUPXZRY-OAQYLSRUSA-N 0 0 412.463 5.586 50 0 HKAARN CCC(CC)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 ZINC000002349447 569380699 /nfs/dbraw/zinc/38/06/99/569380699.db2.gz HVYXDZRUHVLFBI-UHFFFAOYSA-N 0 0 416.525 5.366 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc2o1 ZINC000002349452 557339333 /nfs/dbraw/zinc/33/93/33/557339333.db2.gz QRNVSWQKMJAWQV-UHFFFAOYSA-N 0 0 418.905 6.924 50 0 HKAARN O=C(Nc1nnc(CSCc2ccccc2Cl)s1)Nc1ccc(F)cc1 ZINC000002349576 557339283 /nfs/dbraw/zinc/33/92/83/557339283.db2.gz IBJFQUZXEQSKQB-UHFFFAOYSA-N 0 0 408.911 5.408 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(Cc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000002349644 557339252 /nfs/dbraw/zinc/33/92/52/557339252.db2.gz ZTPCGYGOXKSSMM-UHFFFAOYSA-N 0 0 409.298 5.088 50 0 HKAARN CCOC(=O)c1c2cc(OCc3ccc(F)cc3Cl)ccc2oc1C(C)(C)C ZINC000002349850 569380640 /nfs/dbraw/zinc/38/06/40/569380640.db2.gz SYIRUOSQVNKRQQ-UHFFFAOYSA-N 0 0 404.865 6.279 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C(C)C)cc2)cc1 ZINC000002349965 569380694 /nfs/dbraw/zinc/38/06/94/569380694.db2.gz AAKRUGSXJDDYJJ-UHFFFAOYSA-N 0 0 414.505 5.275 50 0 HKAARN Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 ZINC000002350132 557339197 /nfs/dbraw/zinc/33/91/97/557339197.db2.gz CFGNRLRSPNPFQP-UHFFFAOYSA-N 0 0 421.913 5.408 50 0 HKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000002350256 557339312 /nfs/dbraw/zinc/33/93/12/557339312.db2.gz ZCCDKJSCNVJOIB-CYBMUJFWSA-N 0 0 400.479 5.414 50 0 HKAARN CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000002350258 557339309 /nfs/dbraw/zinc/33/93/09/557339309.db2.gz ZCCDKJSCNVJOIB-ZDUSSCGKSA-N 0 0 400.479 5.414 50 0 HKAARN Clc1cccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)c1 ZINC000002350292 569381323 /nfs/dbraw/zinc/38/13/23/569381323.db2.gz FAYBZQHNFDXZQG-UHFFFAOYSA-N 0 0 409.714 6.827 50 0 HKAARN CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002350440 557339294 /nfs/dbraw/zinc/33/92/94/557339294.db2.gz CLNOXIASXQZTBU-UHFFFAOYSA-N 0 0 408.611 6.286 50 0 biogenic HKAARN COc1ccccc1COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000002350617 557339276 /nfs/dbraw/zinc/33/92/76/557339276.db2.gz IYOGKUZOKAURFL-UHFFFAOYSA-N 0 0 400.474 5.588 50 0 biogenic HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)COc1ccccc1 ZINC000002350689 132252947 /nfs/dbraw/zinc/25/29/47/132252947.db2.gz GABUINCYPYOIRR-UHFFFAOYSA-N 0 0 413.589 6.175 50 0 HKAARN COc1ccccc1-c1c(=O)c2ccccc2n(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000002350852 569381342 /nfs/dbraw/zinc/38/13/42/569381342.db2.gz YTADJWBCIWKHHF-UHFFFAOYSA-N 0 0 418.880 5.120 50 0 HKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2)cc1 ZINC000002350930 569381174 /nfs/dbraw/zinc/38/11/74/569381174.db2.gz QBSIKNKEXDSXAE-UHFFFAOYSA-N 0 0 409.489 5.077 50 0 HKAARN COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)c1 ZINC000002351291 557339229 /nfs/dbraw/zinc/33/92/29/557339229.db2.gz UILXPSJXTJRXMV-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000002351346 557339317 /nfs/dbraw/zinc/33/93/17/557339317.db2.gz YKHASLXUZJQEQK-UHFFFAOYSA-N 0 0 418.497 5.113 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)cc1 ZINC000002351641 569381336 /nfs/dbraw/zinc/38/13/36/569381336.db2.gz NYHCSHVPQOHZQZ-UHFFFAOYSA-N 0 0 422.554 6.117 50 0 HKAARN CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1Br)c1ccccc21 ZINC000002351690 569381315 /nfs/dbraw/zinc/38/13/15/569381315.db2.gz BFWRJHKSOLEXMC-UHFFFAOYSA-N 0 0 423.262 6.079 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 ZINC000002351722 569381347 /nfs/dbraw/zinc/38/13/47/569381347.db2.gz MDSGSOAGGBLJNG-UHFFFAOYSA-N 0 0 418.543 5.832 50 0 HKAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002351775 569381309 /nfs/dbraw/zinc/38/13/09/569381309.db2.gz OGKNRHDIAQNQKK-UHFFFAOYSA-N 0 0 420.900 5.299 50 0 HKAARN Cc1ccc(-c2csc3ncnc(SCc4ccc(Cl)c(Cl)c4)c23)cc1 ZINC000002351840 557339608 /nfs/dbraw/zinc/33/96/08/557339608.db2.gz SHQLQCWETSRVLA-UHFFFAOYSA-N 0 0 417.386 7.266 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(F)cc4Cl)ccc23)cc1 ZINC000002351930 569381293 /nfs/dbraw/zinc/38/12/93/569381293.db2.gz ZMFRLCJGLMITIR-UHFFFAOYSA-N 0 0 424.855 6.149 50 0 HKAARN O=C(O[C@H](Sc1nc2ccccc2s1)c1ccccc1Cl)c1ccccc1 ZINC000002351955 569381297 /nfs/dbraw/zinc/38/12/97/569381297.db2.gz WHDBIPZPYWIXBU-HXUWFJFHSA-N 0 0 411.935 6.598 50 0 HKAARN O=C(O[C@@H](Sc1nc2ccccc2s1)c1ccccc1Cl)c1ccccc1 ZINC000002351956 569381299 /nfs/dbraw/zinc/38/12/99/569381299.db2.gz WHDBIPZPYWIXBU-FQEVSTJZSA-N 0 0 411.935 6.598 50 0 HKAARN Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1C ZINC000002351981 569381457 /nfs/dbraw/zinc/38/14/57/569381457.db2.gz WRZORMUIYWMNTI-UHFFFAOYSA-N 0 0 423.325 5.685 50 0 HKAARN CC(C)OC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 ZINC000002352006 569381425 /nfs/dbraw/zinc/38/14/25/569381425.db2.gz NBTQNAKXGIXIAP-UHFFFAOYSA-N 0 0 411.445 5.463 50 0 HKAARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1cccc(Cl)c1 ZINC000002352274 569383093 /nfs/dbraw/zinc/38/30/93/569383093.db2.gz JWFHKRCANGUBIM-UHFFFAOYSA-N 0 0 411.339 5.781 50 0 HKAARN CCCCCSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002352295 569383092 /nfs/dbraw/zinc/38/30/92/569383092.db2.gz AJHPKQXATFYTQZ-UHFFFAOYSA-N 0 0 410.627 6.361 50 0 HKAARN O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@@H]1N1CCCCC1 ZINC000002352719 569383242 /nfs/dbraw/zinc/38/32/42/569383242.db2.gz WADJIXHIJZUNAV-OALUTQOASA-N 0 0 419.750 5.041 50 0 HKAARN O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@@H]1N1CCCCC1 ZINC000002352720 569383237 /nfs/dbraw/zinc/38/32/37/569383237.db2.gz WADJIXHIJZUNAV-MOPGFXCFSA-N 0 0 419.750 5.041 50 0 HKAARN O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@H]1N1CCCCC1 ZINC000002352721 569383240 /nfs/dbraw/zinc/38/32/40/569383240.db2.gz WADJIXHIJZUNAV-RBUKOAKNSA-N 0 0 419.750 5.041 50 0 HKAARN O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@H]1N1CCCCC1 ZINC000002352722 569383190 /nfs/dbraw/zinc/38/31/90/569383190.db2.gz WADJIXHIJZUNAV-RTBURBONSA-N 0 0 419.750 5.041 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3ccc(F)cc3)s2)cc1C ZINC000002352907 569383305 /nfs/dbraw/zinc/38/33/05/569383305.db2.gz LDEUVDSDDFADGM-UHFFFAOYSA-N 0 0 402.520 5.371 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000002352932 569383372 /nfs/dbraw/zinc/38/33/72/569383372.db2.gz VGFDGASPRZOKJN-UHFFFAOYSA-N 0 0 416.452 5.088 50 0 HKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000002352992 569383486 /nfs/dbraw/zinc/38/34/86/569383486.db2.gz XGELVANBXHTZIU-UHFFFAOYSA-N 0 0 418.257 5.619 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)cc(C)c2C)cc1 ZINC000002352995 569383566 /nfs/dbraw/zinc/38/35/66/569383566.db2.gz MULTULGTDMJVBA-UHFFFAOYSA-N 0 0 414.505 5.076 50 0 HKAARN Cc1cccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)c1 ZINC000002353563 557339651 /nfs/dbraw/zinc/33/96/51/557339651.db2.gz QZHDUTXPFKRMQI-UHFFFAOYSA-N 0 0 404.477 5.018 50 0 HKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccccc1)c1ccccn1 ZINC000002353695 557339668 /nfs/dbraw/zinc/33/96/68/557339668.db2.gz XPZNDVQNNRFDNG-UHFFFAOYSA-N 0 0 415.496 6.144 50 0 HKAARN CCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000002353792 569385229 /nfs/dbraw/zinc/38/52/29/569385229.db2.gz QGYKGHRPKAWDCJ-UHFFFAOYSA-N 0 0 422.554 5.953 50 0 HKAARN CCc1ccc(NC2=C[C@@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002354079 557339546 /nfs/dbraw/zinc/33/95/46/557339546.db2.gz JCQLUKOMUWPMKC-SANMLTNESA-N 0 0 412.533 5.904 50 0 HKAARN CCc1ccc(NC2=C[C@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002354081 557339628 /nfs/dbraw/zinc/33/96/28/557339628.db2.gz JCQLUKOMUWPMKC-AREMUKBSSA-N 0 0 412.533 5.904 50 0 HKAARN CC(C)Oc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1 ZINC000002354348 569385190 /nfs/dbraw/zinc/38/51/90/569385190.db2.gz MDSDLZUVKRBABI-QFIPXVFZSA-N 0 0 413.517 5.486 50 0 HKAARN CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1 ZINC000002354350 569385191 /nfs/dbraw/zinc/38/51/91/569385191.db2.gz MDSDLZUVKRBABI-JOCHJYFZSA-N 0 0 413.517 5.486 50 0 HKAARN COc1ccc(COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 ZINC000002354460 557339838 /nfs/dbraw/zinc/33/98/38/557339838.db2.gz KWIUIZPEEKZKNY-UHFFFAOYSA-N 0 0 400.474 5.588 50 0 biogenic HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000002354611 569385219 /nfs/dbraw/zinc/38/52/19/569385219.db2.gz FNAFOYSACMTFLC-UHFFFAOYSA-N 0 0 420.871 5.733 50 0 HKAARN Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(F)cc3)cc2O)n1 ZINC000002354638 569385250 /nfs/dbraw/zinc/38/52/50/569385250.db2.gz PYWPBMVSQPVRDH-UHFFFAOYSA-N 0 0 421.859 5.470 50 0 HKAARN Cc1nn2c(nc(C(C)C)cc2N2CCC(Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000002354650 132252987 /nfs/dbraw/zinc/25/29/87/132252987.db2.gz PLEPTASZKMHIJB-UHFFFAOYSA-N 0 0 424.592 6.287 50 0 HKAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000002354835 569385214 /nfs/dbraw/zinc/38/52/14/569385214.db2.gz RVBVYHNXOLMZFI-UHFFFAOYSA-N 0 0 417.269 6.048 50 0 HKAARN O=[P@](Cc1ccccc1)(c1ccccc1)N(CCc1ccccc1)c1ccccc1 ZINC000002355101 569385201 /nfs/dbraw/zinc/38/52/01/569385201.db2.gz MBGPBOLNHCZHMY-SSEXGKCCSA-N 0 0 411.485 6.540 50 0 HKAARN O=[P@@](Cc1ccccc1)(c1ccccc1)N(CCc1ccccc1)c1ccccc1 ZINC000002355105 569385355 /nfs/dbraw/zinc/38/53/55/569385355.db2.gz MBGPBOLNHCZHMY-PMERELPUSA-N 0 0 411.485 6.540 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000002355318 557339849 /nfs/dbraw/zinc/33/98/49/557339849.db2.gz WLBIPCIGRXYFMW-UHFFFAOYSA-N 0 0 412.515 5.067 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(C)c2C)cc1 ZINC000002355438 569385319 /nfs/dbraw/zinc/38/53/19/569385319.db2.gz CFRANJCSIOMMSF-UHFFFAOYSA-N 0 0 414.505 5.158 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)C2CCCCC2)c(-c2ccccc2Cl)c1=O ZINC000002355512 569385311 /nfs/dbraw/zinc/38/53/11/569385311.db2.gz TXTCSWOZYZPCLO-UHFFFAOYSA-N 0 0 421.928 5.380 50 0 HKAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 ZINC000002355710 569385347 /nfs/dbraw/zinc/38/53/47/569385347.db2.gz DEONTVNAKZZRHI-UHFFFAOYSA-N 0 0 412.485 5.983 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000002355772 569385380 /nfs/dbraw/zinc/38/53/80/569385380.db2.gz AWLZTDIZPBKLGX-UHFFFAOYSA-N 0 0 418.633 6.866 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000002355853 569385382 /nfs/dbraw/zinc/38/53/82/569385382.db2.gz QLCDFDOCMGQCIT-UHFFFAOYSA-N 0 0 416.525 5.510 50 0 HKAARN COc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c1 ZINC000002356016 557339823 /nfs/dbraw/zinc/33/98/23/557339823.db2.gz JEJOVZGUFAALCZ-UHFFFAOYSA-N 0 0 407.926 5.889 50 0 HKAARN CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 ZINC000002356287 569385371 /nfs/dbraw/zinc/38/53/71/569385371.db2.gz CTCFKOPPYSLRQJ-LJQANCHMSA-N 0 0 422.645 5.585 50 0 HKAARN CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 ZINC000002356289 569385342 /nfs/dbraw/zinc/38/53/42/569385342.db2.gz CTCFKOPPYSLRQJ-IBGZPJMESA-N 0 0 422.645 5.585 50 0 HKAARN COc1ccc(-c2nnc(-c3cc(-c4ccccc4)nc4ccccc43)o2)cc1OC ZINC000002356380 557339844 /nfs/dbraw/zinc/33/98/44/557339844.db2.gz SJUAZJWEZOSJKE-UHFFFAOYSA-N 0 0 409.445 5.636 50 0 HKAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1cccc(Br)c1 ZINC000002356420 557339826 /nfs/dbraw/zinc/33/98/26/557339826.db2.gz WPFCBSYZMLMAPW-UHFFFAOYSA-N 0 0 409.374 5.150 50 0 HKAARN Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(Cl)cc1Cl ZINC000002356476 557339830 /nfs/dbraw/zinc/33/98/30/557339830.db2.gz NBULWPNZJRXKEI-UHFFFAOYSA-N 0 0 402.686 5.271 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 ZINC000002356888 569385502 /nfs/dbraw/zinc/38/55/02/569385502.db2.gz JOYVOIXHIDUJPA-HNNXBMFYSA-N 0 0 412.624 6.019 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 ZINC000002356889 569385512 /nfs/dbraw/zinc/38/55/12/569385512.db2.gz JOYVOIXHIDUJPA-OAHLLOKOSA-N 0 0 412.624 6.019 50 0 HKAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)ccc1OC ZINC000002356997 569385475 /nfs/dbraw/zinc/38/54/75/569385475.db2.gz PHHRXFOXWOJVJM-UHFFFAOYSA-N 0 0 418.884 5.062 50 0 HKAARN COc1ccccc1NC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000002357171 557339875 /nfs/dbraw/zinc/33/98/75/557339875.db2.gz MFQHRZKTOLPTIB-UHFFFAOYSA-N 0 0 409.298 5.088 50 0 HKAARN O=C(Nc1nnc(CSc2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000002357188 557339859 /nfs/dbraw/zinc/33/98/59/557339859.db2.gz JOXOELWQEIWDEY-UHFFFAOYSA-N 0 0 411.339 5.781 50 0 HKAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c3ccccc3n2C)cc1 ZINC000002357451 569385468 /nfs/dbraw/zinc/38/54/68/569385468.db2.gz YRIMIHSJFURWQA-UHFFFAOYSA-N 0 0 402.881 5.420 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000002357680 569385481 /nfs/dbraw/zinc/38/54/81/569385481.db2.gz PVEQTKMCFZPPMS-UHFFFAOYSA-N 0 0 402.881 5.594 50 0 HKAARN Fc1cccc(F)c1CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000002357910 569385474 /nfs/dbraw/zinc/38/54/74/569385474.db2.gz AMFJUNIHALIUMO-UHFFFAOYSA-N 0 0 417.868 5.810 50 0 HKAARN COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc4ccc(O)cc43)O2)cc1 ZINC000002357955 557340116 /nfs/dbraw/zinc/34/01/16/557340116.db2.gz QEMBIJMXSALSNQ-UHFFFAOYSA-N 0 0 410.469 5.912 50 0 HKAARN Cn1c(SCc2ccccc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000002358066 569385453 /nfs/dbraw/zinc/38/54/53/569385453.db2.gz HHFOXAMZIBGDJT-UHFFFAOYSA-N 0 0 400.507 5.027 50 0 HKAARN CCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000002358068 569385456 /nfs/dbraw/zinc/38/54/56/569385456.db2.gz BGIKUPGOLZDKNN-AREMUKBSSA-N 0 0 418.606 6.406 50 0 HKAARN CCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000002358070 569385458 /nfs/dbraw/zinc/38/54/58/569385458.db2.gz BGIKUPGOLZDKNN-SANMLTNESA-N 0 0 418.606 6.406 50 0 HKAARN CCOc1cccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000002358215 569385573 /nfs/dbraw/zinc/38/55/73/569385573.db2.gz DNDNOVYPPVOVFM-UHFFFAOYSA-N 0 0 420.896 5.195 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C(C)C)cc1 ZINC000002358470 569385581 /nfs/dbraw/zinc/38/55/81/569385581.db2.gz IDAYLHFLONEHTQ-UHFFFAOYSA-N 0 0 414.505 5.275 50 0 HKAARN CCc1nc2sc3c(c2c(SCc2ccc(OC)cc2)n1)CC(C)(C)OC3 ZINC000002358624 569385606 /nfs/dbraw/zinc/38/56/06/569385606.db2.gz OKGFEGPSNOYXKL-UHFFFAOYSA-N 0 0 400.569 5.406 50 0 HKAARN CCCCCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000002358732 569385575 /nfs/dbraw/zinc/38/55/75/569385575.db2.gz GIPWIMJESVYBEY-UHFFFAOYSA-N 0 0 419.619 7.068 50 0 HKAARN CC1(C)Cc2nc3oc4c(ncnc4SCc4ccccc4Cl)c3cc2CO1 ZINC000002358747 569385597 /nfs/dbraw/zinc/38/55/97/569385597.db2.gz ZNPWFGAJKGAHGP-UHFFFAOYSA-N 0 0 411.914 5.568 50 0 HKAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1Cl ZINC000002359017 569385593 /nfs/dbraw/zinc/38/55/93/569385593.db2.gz WYXVWUAOKHYMRL-UHFFFAOYSA-N 0 0 401.322 5.411 50 0 HKAARN Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000002359019 569385590 /nfs/dbraw/zinc/38/55/90/569385590.db2.gz WRVWESFHZJSNRU-UHFFFAOYSA-N 0 0 420.152 5.565 50 0 HKAARN CC(C)Cc1csc(C(=O)Nc2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000002359102 569385589 /nfs/dbraw/zinc/38/55/89/569385589.db2.gz XWPBLBGRPJSMER-UHFFFAOYSA-N 0 0 412.942 6.105 50 0 HKAARN Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1 ZINC000002359149 557340107 /nfs/dbraw/zinc/34/01/07/557340107.db2.gz UCVUJYQEJMQJJY-UHFFFAOYSA-N 0 0 414.947 5.061 50 0 aggregator HKAARN O=C1C[C@H](c2ccc(Cl)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000002359470 557340128 /nfs/dbraw/zinc/34/01/28/557340128.db2.gz ZQUNBZPCTPHGKD-HXUWFJFHSA-N 0 0 416.933 6.748 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000002359473 557340121 /nfs/dbraw/zinc/34/01/21/557340121.db2.gz ZQUNBZPCTPHGKD-FQEVSTJZSA-N 0 0 416.933 6.748 50 0 HKAARN CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000002359595 569385692 /nfs/dbraw/zinc/38/56/92/569385692.db2.gz ITNNADPRVNVOJZ-UHFFFAOYSA-N 0 0 409.795 5.169 50 0 HKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2C)cc1 ZINC000002359606 569385594 /nfs/dbraw/zinc/38/55/94/569385594.db2.gz WRSNHGSVYSEHOR-UHFFFAOYSA-N 0 0 409.489 5.077 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002359668 569385588 /nfs/dbraw/zinc/38/55/88/569385588.db2.gz SZFDEKMHWNJAOS-UHFFFAOYSA-N 0 0 402.881 5.594 50 0 HKAARN Cc1c(CSc2nnc(-c3ccco3)n2-c2ccccc2)cccc1-c1ccccc1 ZINC000002359713 557340134 /nfs/dbraw/zinc/34/01/34/557340134.db2.gz QRHHHYUQUBDYIJ-UHFFFAOYSA-N 0 0 423.541 6.795 50 0 HKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000002359808 569385558 /nfs/dbraw/zinc/38/55/58/569385558.db2.gz SBWMJMYQTQLXAI-UHFFFAOYSA-N 0 0 423.900 5.702 50 0 HKAARN O=C(Nc1nnc(SCCOc2ccccc2)s1)Nc1ccc(Cl)cc1 ZINC000002359994 569385572 /nfs/dbraw/zinc/38/55/72/569385572.db2.gz JLAOFMKNQJPURS-UHFFFAOYSA-N 0 0 406.920 5.007 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(OCCc2ccccc2)n1)CC(C)(C)OC4 ZINC000002360095 557340137 /nfs/dbraw/zinc/34/01/37/557340137.db2.gz JLPYPAFVLYSGGE-UHFFFAOYSA-N 0 0 405.523 5.021 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1O ZINC000002360488 557340130 /nfs/dbraw/zinc/34/01/30/557340130.db2.gz IWRBKHTYWPFGCC-UHFFFAOYSA-N 0 0 411.288 6.432 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002360696 569386491 /nfs/dbraw/zinc/38/64/91/569386491.db2.gz RBVVRRWWQFSKBN-UHFFFAOYSA-N 0 0 410.517 5.755 50 0 HKAARN O=C(c1ccccc1)[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 ZINC000002360890 557340445 /nfs/dbraw/zinc/34/04/45/557340445.db2.gz SQHSVEGLCQOOBT-FQEVSTJZSA-N 0 0 420.584 6.380 50 0 HKAARN O=C(c1ccccc1)[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 ZINC000002360892 557340498 /nfs/dbraw/zinc/34/04/98/557340498.db2.gz SQHSVEGLCQOOBT-HXUWFJFHSA-N 0 0 420.584 6.380 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Br)cc3)n2N)cc1 ZINC000002360938 569386387 /nfs/dbraw/zinc/38/63/87/569386387.db2.gz OCXOMJMOXOJGJS-UHFFFAOYSA-N 0 0 417.376 5.011 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000002361037 569386534 /nfs/dbraw/zinc/38/65/34/569386534.db2.gz PGEKREJAFLETQP-DOMZBBRYSA-N 0 0 411.955 5.627 50 0 HKAARN CC(C)c1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002361195 569386547 /nfs/dbraw/zinc/38/65/47/569386547.db2.gz IKIKBTCKJMZFEA-SETSBSEESA-N 0 0 423.493 5.687 50 0 HKAARN CC(C)c1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002361197 569386523 /nfs/dbraw/zinc/38/65/23/569386523.db2.gz IKIKBTCKJMZFEA-FYBSXPHGSA-N 0 0 423.493 5.687 50 0 HKAARN CC(C)c1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002361200 569386631 /nfs/dbraw/zinc/38/66/31/569386631.db2.gz IKIKBTCKJMZFEA-QCDSWUKFSA-N 0 0 423.493 5.687 50 0 HKAARN CC(C)c1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002361203 569386621 /nfs/dbraw/zinc/38/66/21/569386621.db2.gz IKIKBTCKJMZFEA-RNAHPLFWSA-N 0 0 423.493 5.687 50 0 HKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 ZINC000002361366 569387143 /nfs/dbraw/zinc/38/71/43/569387143.db2.gz XRZJNIJKZIXRFH-UHFFFAOYSA-N 0 0 402.498 5.057 50 0 HKAARN CSc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000002361401 569387204 /nfs/dbraw/zinc/38/72/04/569387204.db2.gz PIHHKHQKNUZSFP-UHFFFAOYSA-N 0 0 411.357 7.439 50 0 HKAARN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 ZINC000002361441 569387232 /nfs/dbraw/zinc/38/72/32/569387232.db2.gz OWKGRNBTBBSCSL-UHFFFAOYSA-N 0 0 419.955 5.924 50 0 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O=S(=O)(c1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1)N1CCCCC1 ZINC000002368096 569388271 /nfs/dbraw/zinc/38/82/71/569388271.db2.gz LQTLCPDUYZXQEG-UHFFFAOYSA-N 0 0 418.971 5.305 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1cccc(C)n1)C3=O ZINC000002368189 569388285 /nfs/dbraw/zinc/38/82/85/569388285.db2.gz XELAULRULYQKLF-NRFANRHFSA-N 0 0 416.864 5.208 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1cccc(C)n1)C3=O ZINC000002368190 569388303 /nfs/dbraw/zinc/38/83/03/569388303.db2.gz XELAULRULYQKLF-OAQYLSRUSA-N 0 0 416.864 5.208 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000002368196 569388287 /nfs/dbraw/zinc/38/82/87/569388287.db2.gz OOGQUEYEKBBQFX-QHCPKHFHSA-N 0 0 410.473 5.171 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000002368197 569388241 /nfs/dbraw/zinc/38/82/41/569388241.db2.gz OOGQUEYEKBBQFX-HSZRJFAPSA-N 0 0 410.473 5.171 50 0 HKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O 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CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002369504 569388600 /nfs/dbraw/zinc/38/86/00/569388600.db2.gz PXBLKWLLBSFBBD-SETSBSEESA-N 0 0 422.509 6.202 50 0 HKAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002369505 569388602 /nfs/dbraw/zinc/38/86/02/569388602.db2.gz PXBLKWLLBSFBBD-RNAHPLFWSA-N 0 0 422.509 6.202 50 0 HKAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002369508 569388554 /nfs/dbraw/zinc/38/85/54/569388554.db2.gz PXBLKWLLBSFBBD-FYBSXPHGSA-N 0 0 422.509 6.202 50 0 HKAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002369509 569388582 /nfs/dbraw/zinc/38/85/82/569388582.db2.gz ALQAAXPUUOPRGU-UHFFFAOYSA-N 0 0 418.541 5.547 50 0 HKAARN Fc1ccc(-c2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000002369692 569388697 /nfs/dbraw/zinc/38/86/97/569388697.db2.gz KJILFZARLBQVNX-UHFFFAOYSA-N 0 0 406.420 6.011 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)c1 ZINC000002369721 569388689 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5.947 50 0 HKAARN CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n21)CC(C)(C)OC3 ZINC000002395039 569394213 /nfs/dbraw/zinc/39/42/13/569394213.db2.gz VBSREPBPPMUNHT-UHFFFAOYSA-N 0 0 408.618 5.193 50 0 HKAARN Cc1cc(C)cc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002395104 569394317 /nfs/dbraw/zinc/39/43/17/569394317.db2.gz DSPUHMDZYINBAO-UHFFFAOYSA-N 0 0 414.509 5.262 50 0 HKAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CN21 ZINC000002395462 569394383 /nfs/dbraw/zinc/39/43/83/569394383.db2.gz KMXYRPUVIXGSDF-VFAHUECZSA-N 0 0 424.544 5.211 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1cc(Cl)cc(Cl)c1 ZINC000002395749 557344363 /nfs/dbraw/zinc/34/43/63/557344363.db2.gz ABZIFIAEGBLBDI-UHFFFAOYSA-N 0 0 424.378 5.608 50 0 HKAARN CCCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002395842 569394343 /nfs/dbraw/zinc/39/43/43/569394343.db2.gz NLABNORLJPCIJC-UHFFFAOYSA-N 0 0 424.654 6.607 50 0 HKAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002396015 569394364 /nfs/dbraw/zinc/39/43/64/569394364.db2.gz LWJURPITPXVJSC-UHFFFAOYSA-N 0 0 422.916 5.402 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)/C=C/c1ccco1 ZINC000002396090 557344387 /nfs/dbraw/zinc/34/43/87/557344387.db2.gz ZSKUBQJGPSVFQN-VOTSOKGWSA-N 0 0 413.260 6.355 50 0 HKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)cc1 ZINC000002396157 557344370 /nfs/dbraw/zinc/34/43/70/557344370.db2.gz SPFATPVZFBDZOY-UHFFFAOYSA-N 0 0 409.511 5.537 50 0 HKAARN O=C(CCC1CCCC1)Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O ZINC000002396264 569394327 /nfs/dbraw/zinc/39/43/27/569394327.db2.gz OBXYPJSHIUIYOD-UHFFFAOYSA-N 0 0 419.502 5.946 50 0 biogenic HKAARN CCCSc1nc2sc3c(c2c(NCCc2ccccc2)n1)CC(C)(C)OC3 ZINC000002396725 569394496 /nfs/dbraw/zinc/39/44/96/569394496.db2.gz GBQQGDFHZRHBEY-UHFFFAOYSA-N 0 0 413.612 5.699 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002396790 569394420 /nfs/dbraw/zinc/39/44/20/569394420.db2.gz CBWOQZBAKCFXFE-UHFFFAOYSA-N 0 0 422.916 5.546 50 0 HKAARN COc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002396815 569394515 /nfs/dbraw/zinc/39/45/15/569394515.db2.gz FWCNLGILMHVFKW-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cc(C)ccc3nc21 ZINC000002396841 569394452 /nfs/dbraw/zinc/39/44/52/569394452.db2.gz TVWHNNWPWIELOF-UHFFFAOYSA-N 0 0 414.553 6.243 50 0 HKAARN CCC(CC)COC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 ZINC000002396851 569394421 /nfs/dbraw/zinc/39/44/21/569394421.db2.gz SXZYKZBQVDEKSH-UHFFFAOYSA-N 0 0 420.557 5.650 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21 ZINC000002397121 569394527 /nfs/dbraw/zinc/39/45/27/569394527.db2.gz PWRBUDUQQPZPQJ-UHFFFAOYSA-N 0 0 416.525 5.455 50 0 HKAARN CCn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1Cl)CCCC3 ZINC000002397215 569282738 /nfs/dbraw/zinc/28/27/38/569282738.db2.gz GLUSZUGMSBUVPL-UHFFFAOYSA-N 0 0 408.951 5.442 50 0 HKAARN COc1ccc([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1OC ZINC000002397253 569394583 /nfs/dbraw/zinc/39/45/83/569394583.db2.gz KBQXQPGQMNAITC-NRFANRHFSA-N 0 0 412.463 5.586 50 0 HKAARN COc1ccc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1OC ZINC000002397254 569394599 /nfs/dbraw/zinc/39/45/99/569394599.db2.gz KBQXQPGQMNAITC-OAQYLSRUSA-N 0 0 412.463 5.586 50 0 HKAARN CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n21)C[C@@](C)(CC)OC3 ZINC000002397307 569394574 /nfs/dbraw/zinc/39/45/74/569394574.db2.gz PKZZXPLZCIHKFP-LJQANCHMSA-N 0 0 422.645 5.583 50 0 HKAARN CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n21)C[C@](C)(CC)OC3 ZINC000002397308 569394555 /nfs/dbraw/zinc/39/45/55/569394555.db2.gz PKZZXPLZCIHKFP-IBGZPJMESA-N 0 0 422.645 5.583 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1OC ZINC000002397728 569394547 /nfs/dbraw/zinc/39/45/47/569394547.db2.gz GMTGUQAKGOKXMC-UHFFFAOYSA-N 0 0 402.541 5.314 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)sc1C ZINC000002398263 569394548 /nfs/dbraw/zinc/39/45/48/569394548.db2.gz KICGQNWWHLMLBP-FQEVSTJZSA-N 0 0 416.502 5.233 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C)cc2)sc1C ZINC000002398264 569394613 /nfs/dbraw/zinc/39/46/13/569394613.db2.gz KICGQNWWHLMLBP-HXUWFJFHSA-N 0 0 416.502 5.233 50 0 HKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000002398694 557703313 /nfs/dbraw/zinc/70/33/13/557703313.db2.gz OUXKIVUGVFPMCM-UHFFFAOYSA-N 0 0 405.889 5.369 50 0 HKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3)cc2O)cc1OC ZINC000002398716 569394711 /nfs/dbraw/zinc/39/47/11/569394711.db2.gz USUFTJQAIVGPDJ-UHFFFAOYSA-N 0 0 414.461 5.112 50 0 HKAARN Cc1nn2c(nc(C)cc2SCC(=O)c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000002398723 569394731 /nfs/dbraw/zinc/39/47/31/569394731.db2.gz DEICRGKWGSTKJN-UHFFFAOYSA-N 0 0 407.926 5.642 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000002398780 569394732 /nfs/dbraw/zinc/39/47/32/569394732.db2.gz HGLWNZSYRONCMA-UHFFFAOYSA-N 0 0 403.413 5.194 50 0 HKAARN Cn1c(=O)c2c3c(sc2nc1SCc1cccc(C(F)(F)F)c1)CCCC3 ZINC000002399041 557344684 /nfs/dbraw/zinc/34/46/84/557344684.db2.gz YVDMFKVXTPVKRA-UHFFFAOYSA-N 0 0 410.486 5.185 50 0 HKAARN CC(C)CCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002399070 569394652 /nfs/dbraw/zinc/39/46/52/569394652.db2.gz RTCVTIUGLCBDLT-UHFFFAOYSA-N 0 0 415.541 5.055 50 0 HKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002399083 569394668 /nfs/dbraw/zinc/39/46/68/569394668.db2.gz MEDJNWGRYCQXAY-OUTSHDOLSA-N 0 0 408.482 5.812 50 0 HKAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002399084 569394683 /nfs/dbraw/zinc/39/46/83/569394683.db2.gz MEDJNWGRYCQXAY-PWUYWRBVSA-N 0 0 408.482 5.812 50 0 HKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002399085 569394644 /nfs/dbraw/zinc/39/46/44/569394644.db2.gz MEDJNWGRYCQXAY-GIGWZHCTSA-N 0 0 408.482 5.812 50 0 HKAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002399086 569394706 /nfs/dbraw/zinc/39/47/06/569394706.db2.gz MEDJNWGRYCQXAY-FUFSCUOVSA-N 0 0 408.482 5.812 50 0 HKAARN CCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002399149 569394567 /nfs/dbraw/zinc/39/45/67/569394567.db2.gz YDUWZHNIOIFVMH-UHFFFAOYSA-N 0 0 415.628 6.182 50 0 HKAARN CCCCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000002399252 569394843 /nfs/dbraw/zinc/39/48/43/569394843.db2.gz SJCZTYMMKJKARE-UHFFFAOYSA-N 0 0 421.385 6.203 50 0 HKAARN CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)COC(C)(C)C4 ZINC000002399396 569394796 /nfs/dbraw/zinc/39/47/96/569394796.db2.gz SOGXUFMEXRIFDW-UHFFFAOYSA-N 0 0 408.618 5.195 50 0 HKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1OC ZINC000002399401 569394792 /nfs/dbraw/zinc/39/47/92/569394792.db2.gz DTKJEXGVKNSGFX-NGQVCNFZSA-N 0 0 424.481 5.512 50 0 HKAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1OC ZINC000002399402 569394802 /nfs/dbraw/zinc/39/48/02/569394802.db2.gz DTKJEXGVKNSGFX-QABMSTFYSA-N 0 0 424.481 5.512 50 0 HKAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1OC ZINC000002399403 569394760 /nfs/dbraw/zinc/39/47/60/569394760.db2.gz DTKJEXGVKNSGFX-HLADLETHSA-N 0 0 424.481 5.512 50 0 HKAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1OC ZINC000002399404 569394841 /nfs/dbraw/zinc/39/48/41/569394841.db2.gz DTKJEXGVKNSGFX-AYWVHJORSA-N 0 0 424.481 5.512 50 0 HKAARN CCCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 ZINC000002399557 569394756 /nfs/dbraw/zinc/39/47/56/569394756.db2.gz HVRJWYBROGLFFM-UHFFFAOYSA-N 0 0 423.314 5.318 50 0 HKAARN CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 ZINC000002399593 569394823 /nfs/dbraw/zinc/39/48/23/569394823.db2.gz PKKCMWBXSYNOFO-UHFFFAOYSA-N 0 0 402.498 5.200 50 0 HKAARN Cc1oc2cc(OC(=O)c3ccccc3F)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002399741 569394753 /nfs/dbraw/zinc/39/47/53/569394753.db2.gz VUUPGQBCJZJZSL-UHFFFAOYSA-N 0 0 408.812 5.780 50 0 HKAARN CC(C)Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 ZINC000002399963 569394987 /nfs/dbraw/zinc/39/49/87/569394987.db2.gz RNFVWHATSCTWQR-UHFFFAOYSA-N 0 0 424.548 6.004 50 0 biogenic HKAARN Clc1ccc(-n2ncc3c4nnc(-c5ccccc5Cl)n4cnc32)cc1Cl ZINC000002399992 569395089 /nfs/dbraw/zinc/39/50/89/569395089.db2.gz LTNURVMBKRIYHI-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1ccc(Cl)c(Cl)c1 ZINC000002400122 569395072 /nfs/dbraw/zinc/39/50/72/569395072.db2.gz RQDVMNUXBRFZDP-UHFFFAOYSA-N 0 0 404.278 5.414 50 0 HKAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000002400363 569395419 /nfs/dbraw/zinc/39/54/19/569395419.db2.gz MUEZRLPDKPSWGQ-UHFFFAOYSA-N 0 0 406.390 5.105 50 0 biogenic HKAARN CCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000002400379 569395439 /nfs/dbraw/zinc/39/54/39/569395439.db2.gz SUORRSNPAVBQTB-UHFFFAOYSA-N 0 0 402.498 5.120 50 0 HKAARN Cc1ccc(-n2ncc3c4nnc(-c5ccc(Cl)cc5Cl)n4cnc32)cc1C ZINC000002400579 569395425 /nfs/dbraw/zinc/39/54/25/569395425.db2.gz CKQGCYCGZQLUCU-UHFFFAOYSA-N 0 0 409.280 5.054 50 0 HKAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1cc(Cl)cc(Cl)c1 ZINC000002400599 569395415 /nfs/dbraw/zinc/39/54/15/569395415.db2.gz ZOJSNIKEDHWWIN-UHFFFAOYSA-N 0 0 404.278 5.414 50 0 HKAARN COc1ccc(-c2c3c4n(cc(-c5ccc(F)cc5)n4CCCC3)c2C(C)=O)cc1 ZINC000002400873 569395529 /nfs/dbraw/zinc/39/55/29/569395529.db2.gz JMOHESBVFBBKCL-UHFFFAOYSA-N 0 0 402.469 5.761 50 0 HKAARN CCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccc(C)cc3nc21 ZINC000002401204 569395556 /nfs/dbraw/zinc/39/55/56/569395556.db2.gz PPGKFFKWSFENHC-UHFFFAOYSA-N 0 0 423.314 5.318 50 0 HKAARN CCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002401263 569395564 /nfs/dbraw/zinc/39/55/64/569395564.db2.gz ADUUBKGZIDUFLV-UHFFFAOYSA-N 0 0 405.592 6.678 50 0 HKAARN CCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21 ZINC000002401382 569395543 /nfs/dbraw/zinc/39/55/43/569395543.db2.gz SCSRCAMVGUUSMP-UHFFFAOYSA-N 0 0 402.498 5.065 50 0 HKAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1Cl ZINC000002401610 569395554 /nfs/dbraw/zinc/39/55/54/569395554.db2.gz CJKJMJJZVHBLNS-UHFFFAOYSA-N 0 0 411.914 5.618 50 0 HKAARN Clc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)C21 ZINC000002401751 569395548 /nfs/dbraw/zinc/39/55/48/569395548.db2.gz VXTGLPYRHQMMRG-LEWJYISDSA-N 0 0 418.909 5.206 50 0 HKAARN Clc1ccccc1[C@@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](c3cccs3)C21 ZINC000002401752 569395566 /nfs/dbraw/zinc/39/55/66/569395566.db2.gz VXTGLPYRHQMMRG-RTWAWAEBSA-N 0 0 418.909 5.206 50 0 HKAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1ccc(Cl)cc1Cl ZINC000002401871 569395553 /nfs/dbraw/zinc/39/55/53/569395553.db2.gz REFCFGAVDMOVHX-UHFFFAOYSA-N 0 0 404.278 5.414 50 0 HKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O ZINC000002402067 569395561 /nfs/dbraw/zinc/39/55/61/569395561.db2.gz LFBZPAVNFXRBPP-OAQYLSRUSA-N 0 0 419.864 5.402 50 0 HKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O ZINC000002402068 569395560 /nfs/dbraw/zinc/39/55/60/569395560.db2.gz LFBZPAVNFXRBPP-NRFANRHFSA-N 0 0 419.864 5.402 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3Cl)ccc2c1=O ZINC000002402266 569395622 /nfs/dbraw/zinc/39/56/22/569395622.db2.gz FRLBPMUYMIEFME-UHFFFAOYSA-N 0 0 422.864 6.135 50 0 HKAARN CCOc1ccccc1C(=O)CSc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002402381 569395648 /nfs/dbraw/zinc/39/56/48/569395648.db2.gz DZHMWLKQHLPRKF-UHFFFAOYSA-N 0 0 417.534 5.387 50 0 HKAARN Cc1nn2c(nc(C)cc2SCC(=O)c2ccc(C)cc2)c1-c1ccc(Cl)cc1 ZINC000002402661 569395684 /nfs/dbraw/zinc/39/56/84/569395684.db2.gz SINGHKUJOANIRC-UHFFFAOYSA-N 0 0 421.953 5.950 50 0 HKAARN O=c1c2ccc(OCc3ccccc3F)cc2oc(C(F)(F)F)c1-c1ccccc1 ZINC000002402752 569395761 /nfs/dbraw/zinc/39/57/61/569395761.db2.gz LOFYLZUNTVBVLB-UHFFFAOYSA-N 0 0 414.354 6.197 50 0 HKAARN Clc1cccc(-n2ncc3c4nc(-c5ccc(Cl)c(Cl)c5)nn4cnc32)c1 ZINC000002402861 569395760 /nfs/dbraw/zinc/39/57/60/569395760.db2.gz LKLRIPPAPFGMRN-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)cc(-c2cccc3ccccc32)n1 ZINC000002403037 569395775 /nfs/dbraw/zinc/39/57/75/569395775.db2.gz VWTCXICSSRSPOY-UHFFFAOYSA-N 0 0 407.900 7.595 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O ZINC000002403191 569395754 /nfs/dbraw/zinc/39/57/54/569395754.db2.gz OAAAXMQTZBPDTE-QHCPKHFHSA-N 0 0 410.473 5.370 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O ZINC000002403192 569395787 /nfs/dbraw/zinc/39/57/87/569395787.db2.gz OAAAXMQTZBPDTE-HSZRJFAPSA-N 0 0 410.473 5.370 50 0 HKAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002403257 569395744 /nfs/dbraw/zinc/39/57/44/569395744.db2.gz HKBCORALGAGZQR-NRFANRHFSA-N 0 0 417.486 5.162 50 0 HKAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002403258 569395784 /nfs/dbraw/zinc/39/57/84/569395784.db2.gz HKBCORALGAGZQR-OAQYLSRUSA-N 0 0 417.486 5.162 50 0 HKAARN O=c1c2ccc(OCc3ccc(F)cc3)cc2oc(C(F)(F)F)c1-c1ccccc1 ZINC000002403278 569395767 /nfs/dbraw/zinc/39/57/67/569395767.db2.gz KAERLTMBRVXXKK-UHFFFAOYSA-N 0 0 414.354 6.197 50 0 HKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000002403330 569395749 /nfs/dbraw/zinc/39/57/49/569395749.db2.gz SKTNTCPFOKZFQS-IDISGSTGSA-N 0 0 407.878 5.350 50 0 HKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000002403331 569395789 /nfs/dbraw/zinc/39/57/89/569395789.db2.gz SKTNTCPFOKZFQS-KDYSTLNUSA-N 0 0 407.878 5.350 50 0 HKAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000002403332 569395799 /nfs/dbraw/zinc/39/57/99/569395799.db2.gz SKTNTCPFOKZFQS-ZBLYBZFDSA-N 0 0 407.878 5.350 50 0 HKAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000002403333 557704395 /nfs/dbraw/zinc/70/43/95/557704395.db2.gz SKTNTCPFOKZFQS-JIPXPUAJSA-N 0 0 407.878 5.350 50 0 HKAARN Cc1cc(C)cc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002403518 569395781 /nfs/dbraw/zinc/39/57/81/569395781.db2.gz CUHYFNFSXBSFFW-UHFFFAOYSA-N 0 0 422.488 5.130 50 0 HKAARN Clc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 ZINC000002403903 569395864 /nfs/dbraw/zinc/39/58/64/569395864.db2.gz SBCHPEYYLPKMMG-UHFFFAOYSA-N 0 0 416.912 5.392 50 0 HKAARN CCCCN(CC)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 ZINC000002404306 569395906 /nfs/dbraw/zinc/39/59/06/569395906.db2.gz MPCAKPWTWVHDSS-UHFFFAOYSA-N 0 0 414.644 6.029 50 0 HKAARN Cc1ccc(Cl)cc1-n1ncc2c3nc(Cc4cccc5ccccc54)nn3cnc21 ZINC000002404552 569395994 /nfs/dbraw/zinc/39/59/94/569395994.db2.gz XDBRFRBFBVCQAU-UHFFFAOYSA-N 0 0 424.895 5.169 50 0 HKAARN Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 ZINC000002404742 569396049 /nfs/dbraw/zinc/39/60/49/569396049.db2.gz VTUBDTGCSGPJGT-HNNXBMFYSA-N 0 0 406.555 5.377 50 0 HKAARN Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 ZINC000002404743 569395970 /nfs/dbraw/zinc/39/59/70/569395970.db2.gz VTUBDTGCSGPJGT-OAHLLOKOSA-N 0 0 406.555 5.377 50 0 HKAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000002404746 569396043 /nfs/dbraw/zinc/39/60/43/569396043.db2.gz ABVNHGXMWFCWCN-VWLOTQADSA-N 0 0 423.512 5.704 50 0 HKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000002404747 569396010 /nfs/dbraw/zinc/39/60/10/569396010.db2.gz ABVNHGXMWFCWCN-RUZDIDTESA-N 0 0 423.512 5.704 50 0 HKAARN CC(C)Sc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 ZINC000002404812 569395887 /nfs/dbraw/zinc/39/58/87/569395887.db2.gz YGZYTAVGXJZGCZ-UHFFFAOYSA-N 0 0 408.618 5.191 50 0 HKAARN CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 ZINC000002405116 569396027 /nfs/dbraw/zinc/39/60/27/569396027.db2.gz HSTXXWJOESGTKE-UHFFFAOYSA-N 0 0 402.498 5.200 50 0 HKAARN CCCc1nc2sc3c(nc(SC)nc3NCc3cccnc3)c2c2c1CCC2 ZINC000002405162 569395981 /nfs/dbraw/zinc/39/59/81/569395981.db2.gz UTQMDGJCXDARGG-UHFFFAOYSA-N 0 0 421.595 5.410 50 0 HKAARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(c1ccc(F)cc1)C2 ZINC000002405199 132254114 /nfs/dbraw/zinc/25/41/14/132254114.db2.gz IOOIUGGPKMXQRR-UHFFFAOYSA-N 0 0 401.437 5.518 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000002405392 569395953 /nfs/dbraw/zinc/39/59/53/569395953.db2.gz AKGYQTIUOBOJAE-QHCPKHFHSA-N 0 0 410.473 5.171 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000002405393 569395925 /nfs/dbraw/zinc/39/59/25/569395925.db2.gz AKGYQTIUOBOJAE-HSZRJFAPSA-N 0 0 410.473 5.171 50 0 HKAARN COc1ccc2c(c1)c(C(=O)CSc1ncnc3c4ccccc4oc31)c(C)n2C ZINC000002405431 569396002 /nfs/dbraw/zinc/39/60/02/569396002.db2.gz JPQBUGJBLCGRRB-UHFFFAOYSA-N 0 0 417.490 5.160 50 0 HKAARN C[C@H](Nc1ccccc1)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000002405440 569395988 /nfs/dbraw/zinc/39/59/88/569395988.db2.gz RJOCGTBCVRCQJS-KNXBSLHKSA-N 0 0 404.897 5.114 50 0 HKAARN Cc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002405677 569396093 /nfs/dbraw/zinc/39/60/93/569396093.db2.gz YYNADNPMTLTTOC-UHFFFAOYSA-N 0 0 411.284 6.654 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O)c1ccccc1 ZINC000002405841 569396349 /nfs/dbraw/zinc/39/63/49/569396349.db2.gz UWTDXNFBJPJXJX-UHFFFAOYSA-N 0 0 421.246 5.442 50 0 HKAARN CCC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002405910 569396120 /nfs/dbraw/zinc/39/61/20/569396120.db2.gz WSZSLZRCZDQLMH-UHFFFAOYSA-N 0 0 400.497 6.451 50 0 HKAARN CCCCc1nc2sc3c(nc(SC)nc3N(C)CCCC)c2c2c1CCC2 ZINC000002405933 569396101 /nfs/dbraw/zinc/39/61/01/569396101.db2.gz XYMVLOXUJSRGSY-UHFFFAOYSA-N 0 0 414.644 6.029 50 0 HKAARN CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002405945 569396146 /nfs/dbraw/zinc/39/61/46/569396146.db2.gz BNHMCRWJAFQMAJ-UHFFFAOYSA-N 0 0 416.496 6.152 50 0 HKAARN C=Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)cc1 ZINC000002406036 569396136 /nfs/dbraw/zinc/39/61/36/569396136.db2.gz MXZCVIPEQIZLGJ-UHFFFAOYSA-N 0 0 422.402 6.701 50 0 HKAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000002406094 569396111 /nfs/dbraw/zinc/39/61/11/569396111.db2.gz LXXKKYUVTPWOJU-QHCPKHFHSA-N 0 0 410.473 5.370 50 0 HKAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000002406095 569396159 /nfs/dbraw/zinc/39/61/59/569396159.db2.gz LXXKKYUVTPWOJU-HSZRJFAPSA-N 0 0 410.473 5.370 50 0 HKAARN CCOc1ccccc1Oc1coc2cc(OCc3ccc(Cl)cc3)ccc2c1=O ZINC000002406249 569396133 /nfs/dbraw/zinc/39/61/33/569396133.db2.gz KEISEJLXIIQVBS-UHFFFAOYSA-N 0 0 422.864 6.216 50 0 HKAARN CCCCc1nc2sc3c(nc(SC)nc3NCCC(C)C)c2c2c1CCC2 ZINC000002406355 569396087 /nfs/dbraw/zinc/39/60/87/569396087.db2.gz IHWTURJPPBNBDF-UHFFFAOYSA-N 0 0 414.644 6.251 50 0 HKAARN Cc1ccccc1COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000002406519 569396090 /nfs/dbraw/zinc/39/60/90/569396090.db2.gz JDKFQJLQKWXSKI-UHFFFAOYSA-N 0 0 410.391 6.366 50 0 HKAARN COc1ccccc1[C@H](CC(=O)NCc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002406573 569396213 /nfs/dbraw/zinc/39/62/13/569396213.db2.gz ZIZYVANICUDVDW-XMMPIXPASA-N 0 0 403.522 5.321 50 0 HKAARN COc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000002406574 569396248 /nfs/dbraw/zinc/39/62/48/569396248.db2.gz ZIZYVANICUDVDW-DEOSSOPVSA-N 0 0 403.522 5.321 50 0 HKAARN CCN(CC)c1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000002406628 569396225 /nfs/dbraw/zinc/39/62/25/569396225.db2.gz DSCRWDPNJMUYSE-UHFFFAOYSA-N 0 0 420.607 5.963 50 0 HKAARN Clc1ccc(-n2ncc3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc32)cc1 ZINC000002406709 569396231 /nfs/dbraw/zinc/39/62/31/569396231.db2.gz STKILZPDWUBNEA-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000002406766 569396267 /nfs/dbraw/zinc/39/62/67/569396267.db2.gz KSNIRBHVNXOBHB-UHFFFAOYSA-N 0 0 421.290 6.110 50 0 HKAARN O=C(Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccco1 ZINC000002406784 569396246 /nfs/dbraw/zinc/39/62/46/569396246.db2.gz UVZZXEISMLGQSE-UHFFFAOYSA-N 0 0 400.308 5.291 50 0 HKAARN COc1ccccc1C(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000002406869 569396218 /nfs/dbraw/zinc/39/62/18/569396218.db2.gz IYDCTFSDLTUDKX-UHFFFAOYSA-N 0 0 406.821 5.341 50 0 biogenic HKAARN Cc1cccc(N2C(=O)S/C(=C\c3ccc(-c4nc5ccccc5s4)o3)C2=O)c1 ZINC000002406941 569396228 /nfs/dbraw/zinc/39/62/28/569396228.db2.gz JUZQBXWZIHVNIU-UNOMPAQXSA-N 0 0 418.499 6.106 50 0 HKAARN CCCCc1ccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002407071 569396222 /nfs/dbraw/zinc/39/62/22/569396222.db2.gz GQNCVQSULIMYJW-INIZCTEOSA-N 0 0 416.525 5.454 50 0 HKAARN CCCCc1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002407072 569396212 /nfs/dbraw/zinc/39/62/12/569396212.db2.gz GQNCVQSULIMYJW-MRXNPFEDSA-N 0 0 416.525 5.454 50 0 HKAARN CCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002407284 569396205 /nfs/dbraw/zinc/39/62/05/569396205.db2.gz OTVLMPCPMXYVFK-UHFFFAOYSA-N 0 0 408.889 5.156 50 0 HKAARN Cc1ccc(-n2ncc3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc32)c(C)c1 ZINC000002407322 569396245 /nfs/dbraw/zinc/39/62/45/569396245.db2.gz PNNGDKYSBSBPIG-UHFFFAOYSA-N 0 0 409.280 5.054 50 0 HKAARN O=C(Nc1ccccc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000002407359 132254095 /nfs/dbraw/zinc/25/40/95/132254095.db2.gz GVKBDERHKFTKMS-UHFFFAOYSA-N 0 0 407.322 5.297 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn32)cc1 ZINC000002407374 569396216 /nfs/dbraw/zinc/39/62/16/569396216.db2.gz ABCAFHRIAOEXCN-UHFFFAOYSA-N 0 0 402.889 5.081 50 0 HKAARN Cc1nc2c3ccccc3oc2c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000002407398 569396230 /nfs/dbraw/zinc/39/62/30/569396230.db2.gz PIBGHEGQSMVCAZ-UHFFFAOYSA-N 0 0 418.305 5.722 50 0 HKAARN CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(C)c(C)c4)c(C)s3)c(C)c21 ZINC000002407547 569396357 /nfs/dbraw/zinc/39/63/57/569396357.db2.gz RGVWAVPMZNBNMG-UHFFFAOYSA-N 0 0 418.562 6.055 50 0 HKAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002407550 569396352 /nfs/dbraw/zinc/39/63/52/569396352.db2.gz GZBWQRKPNFYHFE-CYBMUJFWSA-N 0 0 408.889 5.073 50 0 HKAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002407551 569396412 /nfs/dbraw/zinc/39/64/12/569396412.db2.gz GZBWQRKPNFYHFE-ZDUSSCGKSA-N 0 0 408.889 5.073 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)cc1 ZINC000002407556 569396395 /nfs/dbraw/zinc/39/63/95/569396395.db2.gz HKBFAMPMCOQNHT-UHFFFAOYSA-N 0 0 402.889 5.081 50 0 HKAARN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 ZINC000002407602 569396396 /nfs/dbraw/zinc/39/63/96/569396396.db2.gz FFPNKKBIBXICQF-UHFFFAOYSA-N 0 0 402.542 5.759 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SOCZTSTYAHRSNO-UHFFFAOYSA-N 0 0 420.365 5.289 50 0 HKAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cccc(C)c3)cc2oc1=O ZINC000002415119 569397255 /nfs/dbraw/zinc/39/72/55/569397255.db2.gz XMHOIXFJTGZSCU-UHFFFAOYSA-N 0 0 414.885 5.138 50 0 HKAARN CC(C)CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000002415265 569397243 /nfs/dbraw/zinc/39/72/43/569397243.db2.gz CVAHTYGJTASKRU-UHFFFAOYSA-N 0 0 421.385 6.059 50 0 HKAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3cccs3)ccc2c1=O ZINC000002415699 569397241 /nfs/dbraw/zinc/39/72/41/569397241.db2.gz DUPCEMUEXOONHT-UHFFFAOYSA-N 0 0 422.458 5.573 50 0 HKAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000002415760 569397246 /nfs/dbraw/zinc/39/72/46/569397246.db2.gz IJZBCBYMMKXJSS-UHFFFAOYSA-N 0 0 410.466 5.061 50 0 HKAARN O=C(NCc1ccccc1)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002415931 569397289 /nfs/dbraw/zinc/39/72/89/569397289.db2.gz JVQQBNRAVYGVHR-UHFFFAOYSA-N 0 0 408.326 5.496 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccccc1Cl ZINC000002416125 557345814 /nfs/dbraw/zinc/34/58/14/557345814.db2.gz NKBOFPOZUDNFAV-NRFANRHFSA-N 0 0 401.849 5.192 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccccc1Cl ZINC000002416126 557345810 /nfs/dbraw/zinc/34/58/10/557345810.db2.gz NKBOFPOZUDNFAV-OAQYLSRUSA-N 0 0 401.849 5.192 50 0 HKAARN Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)cc1 ZINC000002416455 569397342 /nfs/dbraw/zinc/39/73/42/569397342.db2.gz IIOWXPSHXIPPEQ-UHFFFAOYSA-N 0 0 421.290 6.110 50 0 HKAARN COc1ccc(-c2ccc(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)c(OC)n2)cc1 ZINC000002416535 569397423 /nfs/dbraw/zinc/39/74/23/569397423.db2.gz NBFRSZSOTRRAOI-UHFFFAOYSA-N 0 0 415.493 5.780 50 0 HKAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CCCCC2)n1)CCC4 ZINC000002416947 132254297 /nfs/dbraw/zinc/25/42/97/132254297.db2.gz MAULYLYRKXYDDZ-UHFFFAOYSA-N 0 0 412.628 5.639 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1sc2cc(Cl)ccc2c1Cl ZINC000002416989 569397496 /nfs/dbraw/zinc/39/74/96/569397496.db2.gz FKAPQFVJZBSPQT-UHFFFAOYSA-N 0 0 412.297 7.360 50 0 HKAARN CCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21 ZINC000002417132 569397382 /nfs/dbraw/zinc/39/73/82/569397382.db2.gz AUDBIJXETGUQHV-UHFFFAOYSA-N 0 0 402.498 5.065 50 0 HKAARN CCCCNc1nc(SC)nc2c3c4c(c(CCCC)nc3sc21)CCC4 ZINC000002417180 569397421 /nfs/dbraw/zinc/39/74/21/569397421.db2.gz BJBLWYDCSNUOOS-UHFFFAOYSA-N 0 0 400.617 6.005 50 0 HKAARN Fc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000002417206 132254282 /nfs/dbraw/zinc/25/42/82/132254282.db2.gz BFFDIQDVACZHDZ-UHFFFAOYSA-N 0 0 424.479 5.509 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)cc2C)cc1 ZINC000002417209 569397340 /nfs/dbraw/zinc/39/73/40/569397340.db2.gz ILHAWGXHXBQQMQ-UHFFFAOYSA-N 0 0 420.896 5.113 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2c(c(-c3ccccc3)n1)CCCC2 ZINC000002417344 569397370 /nfs/dbraw/zinc/39/73/70/569397370.db2.gz QQIMQYFFSBFFHJ-UHFFFAOYSA-N 0 0 413.546 5.787 50 0 HKAARN c1ccc(-c2nc3sc4c(ncnc4NC4CCCCC4)c3c3c2CCCC3)cc1 ZINC000002417473 569397387 /nfs/dbraw/zinc/39/73/87/569397387.db2.gz LXKYLDONCVKOKO-UHFFFAOYSA-N 0 0 414.578 6.530 50 0 HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000002417488 569397415 /nfs/dbraw/zinc/39/74/15/569397415.db2.gz RNFBHINTDBYGCQ-UHFFFAOYSA-N 0 0 422.864 6.135 50 0 HKAARN COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000002417504 569397428 /nfs/dbraw/zinc/39/74/28/569397428.db2.gz KELRPBUAEVQQNQ-UHFFFAOYSA-N 0 0 420.392 5.090 50 0 HKAARN Cc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000002417744 132254290 /nfs/dbraw/zinc/25/42/90/132254290.db2.gz CTPFOLJYPANJNU-UHFFFAOYSA-N 0 0 412.324 5.053 50 0 HKAARN O=C(COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O)c1ccccc1 ZINC000002417879 569397457 /nfs/dbraw/zinc/39/74/57/569397457.db2.gz PNYFEKUFFPFRKH-UHFFFAOYSA-N 0 0 424.374 5.741 50 0 HKAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCCCC1 ZINC000002418257 536633093 /nfs/dbraw/zinc/63/30/93/536633093.db2.gz PBHSFWKZDZQARS-FMIVXFBMSA-N 0 0 415.331 5.100 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002418427 569397577 /nfs/dbraw/zinc/39/75/77/569397577.db2.gz CBMKXFNDBVSCJX-CQSZACIVSA-N 0 0 412.942 6.240 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002418428 569397636 /nfs/dbraw/zinc/39/76/36/569397636.db2.gz CBMKXFNDBVSCJX-AWEZNQCLSA-N 0 0 412.942 6.240 50 0 HKAARN Cc1cc2c3oc(=O)sc3c(-c3ccc(Br)cc3)c(O)c2cc1C ZINC000002418465 569397602 /nfs/dbraw/zinc/39/76/02/569397602.db2.gz ARWDSIYWSWPWAZ-UHFFFAOYSA-N 0 0 401.281 5.760 50 0 HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 ZINC000002419004 560560048 /nfs/dbraw/zinc/56/00/48/560560048.db2.gz GQMNZFINHNQVME-UHFFFAOYSA-N 0 0 406.409 5.620 50 0 HKAARN Clc1ccc(-n2ncc3c4nnc(-c5ccc(Cl)cc5Cl)n4cnc32)cc1 ZINC000002419031 569397651 /nfs/dbraw/zinc/39/76/51/569397651.db2.gz FJTQNSZLPZNZEO-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN Cc1cc(SCc2ccc(Cl)cc2Cl)n2ncc(-c3ccccc3)c2n1 ZINC000002419528 569397786 /nfs/dbraw/zinc/39/77/86/569397786.db2.gz PVTYZTMXUFTTBM-UHFFFAOYSA-N 0 0 400.334 6.304 50 0 HKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)n1 ZINC000002419741 557346099 /nfs/dbraw/zinc/34/60/99/557346099.db2.gz IBTZYDFXLZAQJV-SFHVURJKSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C)cc2)n1 ZINC000002419742 557346116 /nfs/dbraw/zinc/34/61/16/557346116.db2.gz IBTZYDFXLZAQJV-GOSISDBHSA-N 0 0 422.893 5.270 50 0 HKAARN O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccc(F)cc1 ZINC000002419755 569397775 /nfs/dbraw/zinc/39/77/75/569397775.db2.gz DLQQTSXVGUPRQS-UHFFFAOYSA-N 0 0 417.417 5.428 50 0 HKAARN O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3c(F)cccc3Cl)ccc12 ZINC000002419824 569397680 /nfs/dbraw/zinc/39/76/80/569397680.db2.gz XPYHQKKPBNLQDZ-UHFFFAOYSA-N 0 0 415.247 6.485 50 0 biogenic HKAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc(C)c(Cl)c2)CO1 ZINC000002420056 535776777 /nfs/dbraw/zinc/77/67/77/535776777.db2.gz IYIZWXAGLCKCEZ-UHFFFAOYSA-N 0 0 404.293 5.717 50 0 HKAARN COc1ccc(-c2cn3c(C(C)=O)c(-c4ccc(F)cc4)c4c3n2CCCC4)cc1 ZINC000002420171 569397685 /nfs/dbraw/zinc/39/76/85/569397685.db2.gz YTRHKASMQPOAGE-UHFFFAOYSA-N 0 0 402.469 5.761 50 0 HKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000002420232 569397674 /nfs/dbraw/zinc/39/76/74/569397674.db2.gz SOQWZBUTKQBURH-UHFFFAOYSA-N 0 0 417.918 5.156 50 0 HKAARN CCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000002420363 569398004 /nfs/dbraw/zinc/39/80/04/569398004.db2.gz RITVIGGESFVKDE-UHFFFAOYSA-N 0 0 402.498 5.120 50 0 HKAARN CCCCc1nc2sc3c(nc(SC)nc3NCCCOC)c2c2c1CCC2 ZINC000002420460 569398014 /nfs/dbraw/zinc/39/80/14/569398014.db2.gz PKZZUTVHMNCMJM-UHFFFAOYSA-N 0 0 416.616 5.241 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3sc(-c4ccc(C(C)(C)C)cc4)nc3s2)cc1 ZINC000002420590 569398121 /nfs/dbraw/zinc/39/81/21/569398121.db2.gz YBSJBSYZUVQUIN-UHFFFAOYSA-N 0 0 406.620 7.682 50 0 HKAARN O=c1c2ccc(OCc3ccc(F)cc3Cl)cc2occ1-c1ccc(Cl)cc1 ZINC000002420951 569398091 /nfs/dbraw/zinc/39/80/91/569398091.db2.gz HOZVOCGGDDOFKG-UHFFFAOYSA-N 0 0 415.247 6.485 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccc(Cl)cn1 ZINC000002421195 569398120 /nfs/dbraw/zinc/39/81/20/569398120.db2.gz MHUDHOCYWXUXFD-IBGZPJMESA-N 0 0 423.255 5.245 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccc(Cl)cn1 ZINC000002421196 569398127 /nfs/dbraw/zinc/39/81/27/569398127.db2.gz MHUDHOCYWXUXFD-LJQANCHMSA-N 0 0 423.255 5.245 50 0 HKAARN Cc1oc2cc(OC(=O)C3CCCCC3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000002421530 569398203 /nfs/dbraw/zinc/39/82/03/569398203.db2.gz LAYJWCYUKALPAL-UHFFFAOYSA-N 0 0 419.502 5.864 50 0 HKAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002421976 569398235 /nfs/dbraw/zinc/39/82/35/569398235.db2.gz HFCLIVBPOOAZIA-UHFFFAOYSA-N 0 0 420.900 5.299 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 ZINC000002422006 569282749 /nfs/dbraw/zinc/28/27/49/569282749.db2.gz XTLIPKQZSZIZSX-UHFFFAOYSA-N 0 0 420.494 5.081 50 0 HKAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002422060 569398106 /nfs/dbraw/zinc/39/81/06/569398106.db2.gz UXEBYASWDPMANR-UHFFFAOYSA-N 0 0 406.461 5.032 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3nc(SCCC(C)C)sc3c2)cc1OC ZINC000002422138 569398062 /nfs/dbraw/zinc/39/80/62/569398062.db2.gz PZIRTRFBYFKBAY-UHFFFAOYSA-N 0 0 416.568 5.704 50 0 HKAARN C[C@@H](c1ccccc1)n1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000002422170 569398205 /nfs/dbraw/zinc/39/82/05/569398205.db2.gz FTJQIEFGVZOALQ-INIZCTEOSA-N 0 0 414.509 5.266 50 0 HKAARN C[C@H](c1ccccc1)n1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000002422171 569398152 /nfs/dbraw/zinc/39/81/52/569398152.db2.gz FTJQIEFGVZOALQ-MRXNPFEDSA-N 0 0 414.509 5.266 50 0 HKAARN CCCOc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 ZINC000002422271 569398133 /nfs/dbraw/zinc/39/81/33/569398133.db2.gz QPUOZTRSYAVIPA-UHFFFAOYSA-N 0 0 410.521 5.615 50 0 HKAARN CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(Cl)cc2)o1 ZINC000002422379 569398201 /nfs/dbraw/zinc/39/82/01/569398201.db2.gz BABPHNFONGFABU-UHFFFAOYSA-N 0 0 411.955 5.253 50 0 HKAARN CCn1c2ccccc2c2cc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 ZINC000002422773 569398277 /nfs/dbraw/zinc/39/82/77/569398277.db2.gz JRYFARVSHPEETH-HSZRJFAPSA-N 0 0 402.450 5.113 50 0 HKAARN CCn1c2ccccc2c2cc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 ZINC000002422774 569398331 /nfs/dbraw/zinc/39/83/31/569398331.db2.gz JRYFARVSHPEETH-QHCPKHFHSA-N 0 0 402.450 5.113 50 0 HKAARN COc1cccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 ZINC000002422814 569398246 /nfs/dbraw/zinc/39/82/46/569398246.db2.gz ZSMRJLVSNBWTIM-UHFFFAOYSA-N 0 0 406.409 5.620 50 0 HKAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002422889 569398298 /nfs/dbraw/zinc/39/82/98/569398298.db2.gz ZYCNRCBWLNKCSU-OAHLLOKOSA-N 0 0 402.498 5.235 50 0 HKAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002422890 569398292 /nfs/dbraw/zinc/39/82/92/569398292.db2.gz ZYCNRCBWLNKCSU-HNNXBMFYSA-N 0 0 402.498 5.235 50 0 HKAARN COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000002423124 569398318 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Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)C2CCCCC2)cc1C ZINC000002435951 569399656 /nfs/dbraw/zinc/39/96/56/569399656.db2.gz QFFOOERMKDKPMM-UHFFFAOYSA-N 0 0 415.537 5.344 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccccc1F ZINC000002436017 569399651 /nfs/dbraw/zinc/39/96/51/569399651.db2.gz BLZDAFASKPBPOY-UHFFFAOYSA-N 0 0 406.844 5.250 50 0 HKAARN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(NCc2ccccc2)n1)CCC4 ZINC000002436320 569399789 /nfs/dbraw/zinc/39/97/89/569399789.db2.gz CXYLLEDEGFNUQF-UHFFFAOYSA-N 0 0 420.607 6.186 50 0 HKAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002436650 569399731 /nfs/dbraw/zinc/39/97/31/569399731.db2.gz WXSXGQHUMGGYQL-UHFFFAOYSA-N 0 0 400.217 5.612 50 0 HKAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)c1ccccc1Cl ZINC000002436847 569399796 /nfs/dbraw/zinc/39/97/96/569399796.db2.gz PIDULLVMYDZSBH-UHFFFAOYSA-N 0 0 411.240 5.986 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000002436864 557347262 /nfs/dbraw/zinc/34/72/62/557347262.db2.gz 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Clc1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000002439673 569400093 /nfs/dbraw/zinc/40/00/93/569400093.db2.gz XTJFRJJTSLAYRB-UHFFFAOYSA-N 0 0 402.910 5.890 50 0 HKAARN CC(C)(C)c1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002439724 132254652 /nfs/dbraw/zinc/25/46/52/132254652.db2.gz HXTRCZNWSDBINR-UHFFFAOYSA-N 0 0 411.553 5.020 50 0 HKAARN Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc54)nc3C2)cc1 ZINC000002439798 569400168 /nfs/dbraw/zinc/40/01/68/569400168.db2.gz IKFYSDQJDCWVHC-IBGZPJMESA-N 0 0 407.473 5.103 50 0 HKAARN Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc54)nc3C2)cc1 ZINC000002439800 569400125 /nfs/dbraw/zinc/40/01/25/569400125.db2.gz IKFYSDQJDCWVHC-LJQANCHMSA-N 0 0 407.473 5.103 50 0 HKAARN Cc1cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)ccc1Cl ZINC000002439814 569400136 /nfs/dbraw/zinc/40/01/36/569400136.db2.gz ZCOLUAIOJHACJF-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1cc(Cl)ccc1Cl ZINC000002439931 569400311 /nfs/dbraw/zinc/40/03/11/569400311.db2.gz HOCUHWUUXIFHAJ-UHFFFAOYSA-N 0 0 404.278 5.414 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)sc1C ZINC000002440074 569400243 /nfs/dbraw/zinc/40/02/43/569400243.db2.gz UHKXPEJICWFQDU-IBGZPJMESA-N 0 0 420.465 5.064 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C ZINC000002440076 569400323 /nfs/dbraw/zinc/40/03/23/569400323.db2.gz UHKXPEJICWFQDU-LJQANCHMSA-N 0 0 420.465 5.064 50 0 HKAARN Clc1ccc(-n2c(Cc3cccs3)nnc2SC/C=C/c2ccccc2)cc1 ZINC000002440338 557347603 /nfs/dbraw/zinc/34/76/03/557347603.db2.gz BURJXMGGVMKAMF-XBXARRHUSA-N 0 0 423.994 6.379 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002440485 569400625 /nfs/dbraw/zinc/40/06/25/569400625.db2.gz NPUWQGJSOOPQFE-UHFFFAOYSA-N 0 0 410.256 6.019 50 0 HKAARN CC(C)=CCC/C(C)=C/COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000002440523 569400655 /nfs/dbraw/zinc/40/06/55/569400655.db2.gz FITWQBRIABOSIH-LDADJPATSA-N 0 0 408.925 7.185 50 0 HKAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1C ZINC000002440606 569400666 /nfs/dbraw/zinc/40/06/66/569400666.db2.gz ORGYWCUYYDVKJW-UHFFFAOYSA-N 0 0 412.489 5.258 50 0 HKAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002440707 569400661 /nfs/dbraw/zinc/40/06/61/569400661.db2.gz WGTRGLBAJHQRKC-UHFFFAOYSA-N 0 0 423.299 5.765 50 0 HKAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002440813 569400686 /nfs/dbraw/zinc/40/06/86/569400686.db2.gz HNLUGXCKFNPGFD-QFIPXVFZSA-N 0 0 417.436 5.394 50 0 HKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002440815 569400690 /nfs/dbraw/zinc/40/06/90/569400690.db2.gz HNLUGXCKFNPGFD-JOCHJYFZSA-N 0 0 417.436 5.394 50 0 HKAARN COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 ZINC000002440819 557347578 /nfs/dbraw/zinc/34/75/78/557347578.db2.gz AYEHJFKXKLTNSS-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN COc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c3ccccc3n2C)cc1 ZINC000002440957 569400588 /nfs/dbraw/zinc/40/05/88/569400588.db2.gz YRMDUQGCMBYGOV-UHFFFAOYSA-N 0 0 418.880 5.120 50 0 HKAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccs2)cc1C ZINC000002441037 557711844 /nfs/dbraw/zinc/71/18/44/557711844.db2.gz YGQLGKFBXXWILG-UHFFFAOYSA-N 0 0 415.518 5.139 50 0 HKAARN Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(Cl)c2)cc1 ZINC000002441147 557347893 /nfs/dbraw/zinc/34/78/93/557347893.db2.gz WKMVPVLQHGMRAY-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000002441230 557347803 /nfs/dbraw/zinc/34/78/03/557347803.db2.gz ZVHMKPMHHJJXIN-UHFFFAOYSA-N 0 0 421.547 5.288 50 0 HKAARN Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c(O)c2)cc1 ZINC000002441261 569400848 /nfs/dbraw/zinc/40/08/48/569400848.db2.gz UUAZYHNSNQMGAN-UHFFFAOYSA-N 0 0 417.896 5.639 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(Cl)c1 ZINC000002441274 557347883 /nfs/dbraw/zinc/34/78/83/557347883.db2.gz IVBWVKZYACZDHL-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(Cl)c1 ZINC000002441616 557347826 /nfs/dbraw/zinc/34/78/26/557347826.db2.gz QXNGJEXSJJYAJW-UHFFFAOYSA-N 0 0 408.914 5.020 50 0 HKAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002441632 132254667 /nfs/dbraw/zinc/25/46/67/132254667.db2.gz PPLMJLJOUVDZQA-VWLOTQADSA-N 0 0 415.493 5.116 50 0 HKAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002441634 132254655 /nfs/dbraw/zinc/25/46/55/132254655.db2.gz PPLMJLJOUVDZQA-RUZDIDTESA-N 0 0 415.493 5.116 50 0 HKAARN Cc1cccc2c(C)nc(Nc3nc(C)c(Cc4cccc5ccccc54)c(=O)[nH]3)nc12 ZINC000002441690 557347869 /nfs/dbraw/zinc/34/78/69/557347869.db2.gz PSTIBKPAHDGSSM-UHFFFAOYSA-N 0 0 421.504 5.126 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H]3CCCc4ccccc43)cc12 ZINC000002441692 569400725 /nfs/dbraw/zinc/40/07/25/569400725.db2.gz FJDRSXVNOSJDFP-FQEVSTJZSA-N 0 0 421.953 5.856 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCCc4ccccc43)cc12 ZINC000002441694 569400724 /nfs/dbraw/zinc/40/07/24/569400724.db2.gz FJDRSXVNOSJDFP-HXUWFJFHSA-N 0 0 421.953 5.856 50 0 HKAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)C2CCCCC2)cc1 ZINC000002441889 569400702 /nfs/dbraw/zinc/40/07/02/569400702.db2.gz OMSGFJJHOONXDJ-UHFFFAOYSA-N 0 0 415.537 5.344 50 0 HKAARN COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000002441944 557347912 /nfs/dbraw/zinc/34/79/12/557347912.db2.gz KOAXPZDEFDLNRU-UHFFFAOYSA-N 0 0 407.926 5.889 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccco4)c23)CO1 ZINC000002441965 569400794 /nfs/dbraw/zinc/40/07/94/569400794.db2.gz WCGUVEGNNBRLNG-FQEVSTJZSA-N 0 0 403.573 5.638 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccco4)c23)CO1 ZINC000002441967 569400796 /nfs/dbraw/zinc/40/07/96/569400796.db2.gz WCGUVEGNNBRLNG-HXUWFJFHSA-N 0 0 403.573 5.638 50 0 HKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3cccc(Cl)c3)ccc2c1=O ZINC000002442084 569400750 /nfs/dbraw/zinc/40/07/50/569400750.db2.gz MMRCHPHZRRJVRA-UHFFFAOYSA-N 0 0 422.864 6.135 50 0 HKAARN Clc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1-c1ccccc1 ZINC000002442368 557347820 /nfs/dbraw/zinc/34/78/20/557347820.db2.gz BNYXBPRWFSCWQP-FMIVXFBMSA-N 0 0 403.938 6.393 50 0 HKAARN CCCSc1nc(=NNc2ccccc2)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000002442442 569400861 /nfs/dbraw/zinc/40/08/61/569400861.db2.gz UEXUDPFDUHCWFQ-UHFFFAOYSA-N 0 0 400.573 5.484 50 0 HKAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000002442532 557347831 /nfs/dbraw/zinc/34/78/31/557347831.db2.gz KCKWMVZRDOHYMC-UHFFFAOYSA-N 0 0 419.481 5.057 50 0 aggregator HKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2cccc(OC)c2)cc1 ZINC000002442567 557347916 /nfs/dbraw/zinc/34/79/16/557347916.db2.gz ATDUBVLHUHDGJW-UHFFFAOYSA-N 0 0 417.534 5.552 50 0 HKAARN COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 ZINC000002442600 557347858 /nfs/dbraw/zinc/34/78/58/557347858.db2.gz VDTWTWKZQLKION-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN Clc1ccc(-n2ncc3c2ncnc3SCc2cccc3ccccc32)cc1 ZINC000002442636 569400843 /nfs/dbraw/zinc/40/08/43/569400843.db2.gz IMAQFUTWJBPANH-UHFFFAOYSA-N 0 0 402.910 5.914 50 0 HKAARN CCCCc1cc2c(cc1O[C@@H](C)C(=O)OC)occ(-c1cc3ccccc3o1)c2=O ZINC000002442648 569400883 /nfs/dbraw/zinc/40/08/83/569400883.db2.gz PFDDKEMKUIPDFR-HNNXBMFYSA-N 0 0 420.461 5.489 50 0 biogenic HKAARN CCCCc1cc2c(cc1O[C@H](C)C(=O)OC)occ(-c1cc3ccccc3o1)c2=O ZINC000002442650 569400876 /nfs/dbraw/zinc/40/08/76/569400876.db2.gz PFDDKEMKUIPDFR-OAHLLOKOSA-N 0 0 420.461 5.489 50 0 biogenic HKAARN Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 ZINC000002442663 569400872 /nfs/dbraw/zinc/40/08/72/569400872.db2.gz SRYGSUNSRPMAMF-UHFFFAOYSA-N 0 0 401.495 5.063 50 0 HKAARN Cc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)c1 ZINC000002442675 557347816 /nfs/dbraw/zinc/34/78/16/557347816.db2.gz YVYJHTYCHPLVAH-UHFFFAOYSA-N 0 0 417.578 6.485 50 0 HKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(C)c2)cc1 ZINC000002442829 557348007 /nfs/dbraw/zinc/34/80/07/557348007.db2.gz GSTFHHYZKYDFOD-UHFFFAOYSA-N 0 0 415.518 5.226 50 0 HKAARN Cc1ccccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C ZINC000002442893 569400874 /nfs/dbraw/zinc/40/08/74/569400874.db2.gz KNXHWVMTXDKEPK-UHFFFAOYSA-N 0 0 402.881 5.420 50 0 HKAARN Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn32)c(Cl)c1 ZINC000002442926 557348124 /nfs/dbraw/zinc/34/81/24/557348124.db2.gz RFNGTRVQDKSZKF-UHFFFAOYSA-N 0 0 416.087 5.182 50 0 HKAARN Cc1nn2c(nc3c(c2Nc2cc(Cl)cc(Cl)c2)CCCC3)c1-c1ccccc1 ZINC000002443015 569400878 /nfs/dbraw/zinc/40/08/78/569400878.db2.gz DKRGIAPTZKAZOA-UHFFFAOYSA-N 0 0 423.347 6.634 50 0 HKAARN COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000002443044 557348076 /nfs/dbraw/zinc/34/80/76/557348076.db2.gz MXLNWTSMCJYCFW-UHFFFAOYSA-N 0 0 411.914 5.541 50 0 HKAARN Cc1cccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000002443053 557348119 /nfs/dbraw/zinc/34/81/19/557348119.db2.gz ITGUOGAIROVMIJ-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN CCOc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccc(C)cc2)cc1 ZINC000002443487 557348135 /nfs/dbraw/zinc/34/81/35/557348135.db2.gz DTCPYCBHUYBKBK-OAQYLSRUSA-N 0 0 409.555 5.303 50 0 HKAARN CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccc(C)cc2)cc1 ZINC000002443488 557348091 /nfs/dbraw/zinc/34/80/91/557348091.db2.gz DTCPYCBHUYBKBK-NRFANRHFSA-N 0 0 409.555 5.303 50 0 HKAARN CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1 ZINC000002443541 557348026 /nfs/dbraw/zinc/34/80/26/557348026.db2.gz QTQBHENXRCCLJN-UHFFFAOYSA-N 0 0 418.360 5.240 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccs2)cc1 ZINC000002443641 557348149 /nfs/dbraw/zinc/34/81/49/557348149.db2.gz ZEUXZIAMSZYHFK-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN Cc1cccc(CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002443646 557348104 /nfs/dbraw/zinc/34/81/04/557348104.db2.gz FDZUENXCRGMOJF-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccco2)cc1 ZINC000002443686 557348109 /nfs/dbraw/zinc/34/81/09/557348109.db2.gz UQFAGZTWLPLHTE-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@@H](C)c2ccccc2)n1)CC(C)(C)OC4 ZINC000002443747 569400965 /nfs/dbraw/zinc/40/09/65/569400965.db2.gz YZRPXKGDVWTESK-ZDUSSCGKSA-N 0 0 404.539 5.572 50 0 HKAARN Cc1nc2c3cc4c(nc3sc2c(N[C@H](C)c2ccccc2)n1)CC(C)(C)OC4 ZINC000002443749 569400974 /nfs/dbraw/zinc/40/09/74/569400974.db2.gz YZRPXKGDVWTESK-CYBMUJFWSA-N 0 0 404.539 5.572 50 0 HKAARN Cc1cccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)c1 ZINC000002443952 557348015 /nfs/dbraw/zinc/34/80/15/557348015.db2.gz UROWNYCNWMQWFA-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3)sc2c1 ZINC000002444002 569400996 /nfs/dbraw/zinc/40/09/96/569400996.db2.gz RMWUCLFFFVHHTP-NRFANRHFSA-N 0 0 424.481 5.461 50 0 HKAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)sc2c1 ZINC000002444004 569400993 /nfs/dbraw/zinc/40/09/93/569400993.db2.gz RMWUCLFFFVHHTP-OAQYLSRUSA-N 0 0 424.481 5.461 50 0 HKAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 ZINC000002444265 557348140 /nfs/dbraw/zinc/34/81/40/557348140.db2.gz ABSNDRJPDMJCEJ-UHFFFAOYSA-N 0 0 421.353 5.311 50 0 HKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444349 569401007 /nfs/dbraw/zinc/40/10/07/569401007.db2.gz RMNDAQRTXMWQPO-UHFFFAOYSA-N 0 0 422.598 5.610 50 0 HKAARN CC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 ZINC000002444369 557348032 /nfs/dbraw/zinc/34/80/32/557348032.db2.gz JCJKXYSDLBOZQP-QHCPKHFHSA-N 0 0 403.950 5.490 50 0 HKAARN CC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 ZINC000002444371 557348055 /nfs/dbraw/zinc/34/80/55/557348055.db2.gz JCJKXYSDLBOZQP-HSZRJFAPSA-N 0 0 403.950 5.490 50 0 HKAARN CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000002444374 569400972 /nfs/dbraw/zinc/40/09/72/569400972.db2.gz XFCYOSRPMDLCAT-UHFFFAOYSA-N 0 0 402.925 6.657 50 0 HKAARN Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000002444381 569400973 /nfs/dbraw/zinc/40/09/73/569400973.db2.gz OLECGOUPRBODDO-SFHVURJKSA-N 0 0 410.370 5.778 50 0 HKAARN Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000002444382 569400978 /nfs/dbraw/zinc/40/09/78/569400978.db2.gz OLECGOUPRBODDO-GOSISDBHSA-N 0 0 410.370 5.778 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002444669 557348405 /nfs/dbraw/zinc/34/84/05/557348405.db2.gz WRGWYMORESTUGP-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000002444694 557348436 /nfs/dbraw/zinc/34/84/36/557348436.db2.gz VRSHDWBGNRQDMA-UHFFFAOYSA-N 0 0 413.861 5.295 50 0 HKAARN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 ZINC000002444758 557348322 /nfs/dbraw/zinc/34/83/22/557348322.db2.gz QGVQFOGBKJFKBL-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1OC ZINC000002444769 557348409 /nfs/dbraw/zinc/34/84/09/557348409.db2.gz DHZZXMNUROSOCF-UHFFFAOYSA-N 0 0 404.333 5.028 50 0 HKAARN CCCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3ccc(C)cc3nc21 ZINC000002444814 569400961 /nfs/dbraw/zinc/40/09/61/569400961.db2.gz JKYJXQOIBLGJOR-UHFFFAOYSA-N 0 0 402.498 5.344 50 0 HKAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444859 569401225 /nfs/dbraw/zinc/40/12/25/569401225.db2.gz CICXRGFXNSJHNV-UHFFFAOYSA-N 0 0 413.974 5.891 50 0 HKAARN CCN(CC)c1ccc(NC(=O)CSc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000002444860 569401232 /nfs/dbraw/zinc/40/12/32/569401232.db2.gz VVDCMJUSFOROJD-UHFFFAOYSA-N 0 0 420.538 5.261 50 0 HKAARN CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 ZINC000002445131 569401208 /nfs/dbraw/zinc/40/12/08/569401208.db2.gz MKBOUVHFYGRONB-JOCHJYFZSA-N 0 0 417.480 5.431 50 0 HKAARN Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 ZINC000002445135 557348440 /nfs/dbraw/zinc/34/84/40/557348440.db2.gz DDASXBHNQLURTM-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cc(C)cc2C)cc1 ZINC000002445745 569401246 /nfs/dbraw/zinc/40/12/46/569401246.db2.gz JKCRGIJXQIHPFK-UHFFFAOYSA-N 0 0 414.505 5.076 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 ZINC000002445881 569401283 /nfs/dbraw/zinc/40/12/83/569401283.db2.gz 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/nfs/dbraw/zinc/34/86/64/557348664.db2.gz UWJXDLBYHRWEQD-UHFFFAOYSA-N 0 0 414.534 5.282 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1Cl ZINC000002447179 569401383 /nfs/dbraw/zinc/40/13/83/569401383.db2.gz VPIBCDXEQQGHLP-UHFFFAOYSA-N 0 0 414.962 5.473 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccc(F)cc1 ZINC000002447238 557348573 /nfs/dbraw/zinc/34/85/73/557348573.db2.gz USWKXGXODBTAFI-UHFFFAOYSA-N 0 0 423.900 5.702 50 0 HKAARN Cc1nn2c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nnc2c2ccccc12 ZINC000002447275 569401749 /nfs/dbraw/zinc/40/17/49/569401749.db2.gz WSFXCZVJERDVDI-UHFFFAOYSA-N 0 0 413.868 5.159 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 ZINC000002447305 569401857 /nfs/dbraw/zinc/40/18/57/569401857.db2.gz MNXIFKLJWFETNN-MRXNPFEDSA-N 0 0 424.570 5.218 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 ZINC000002447306 569401800 /nfs/dbraw/zinc/40/18/00/569401800.db2.gz MNXIFKLJWFETNN-INIZCTEOSA-N 0 0 424.570 5.218 50 0 HKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccc(C)c2)cc1 ZINC000002447315 557348641 /nfs/dbraw/zinc/34/86/41/557348641.db2.gz HXNYOTRBVVMDRS-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN CC1(C)Cc2nc3sc4c(ncnc4NCCc4ccccc4)c3cc2CS1 ZINC000002447320 557348585 /nfs/dbraw/zinc/34/85/85/557348585.db2.gz KWUSJWALFZNSNT-UHFFFAOYSA-N 0 0 406.580 5.462 50 0 HKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 ZINC000002447321 569401918 /nfs/dbraw/zinc/40/19/18/569401918.db2.gz NSBXZGCHUKVULL-UHFFFAOYSA-N 0 0 421.287 5.951 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(C)cc2)cc1 ZINC000002447348 557348631 /nfs/dbraw/zinc/34/86/31/557348631.db2.gz VYAINYRMONEEJM-UHFFFAOYSA-N 0 0 415.562 6.242 50 0 HKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000002447356 557348563 /nfs/dbraw/zinc/34/85/63/557348563.db2.gz ICMSWNYABLNYOI-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002447417 557348653 /nfs/dbraw/zinc/34/86/53/557348653.db2.gz 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ZINC000002448108 557348861 /nfs/dbraw/zinc/34/88/61/557348861.db2.gz YAGMMQDQIXQULI-UHFFFAOYSA-N 0 0 418.088 5.755 50 0 HKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccccc1 ZINC000002448154 569402045 /nfs/dbraw/zinc/40/20/45/569402045.db2.gz NZFHICFLWABVMX-UHFFFAOYSA-N 0 0 404.516 5.524 50 0 HKAARN Cc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1Br ZINC000002448173 557712020 /nfs/dbraw/zinc/71/20/20/557712020.db2.gz VEPURBRPCLNOIV-UHFFFAOYSA-N 0 0 424.092 5.149 50 0 HKAARN COc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002448437 557348808 /nfs/dbraw/zinc/34/88/08/557348808.db2.gz JGMUGIFDQICBMA-UHFFFAOYSA-N 0 0 407.926 5.889 50 0 HKAARN CCCNC(=O)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(F)cc1)n3CCCC2 ZINC000002448703 569401958 /nfs/dbraw/zinc/40/19/58/569401958.db2.gz SWQNGFBSHMJVBE-UHFFFAOYSA-N 0 0 415.512 5.690 50 0 HKAARN CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(OC)cc4)c(C)s3)c(C)c21 ZINC000002448809 569402173 /nfs/dbraw/zinc/40/21/73/569402173.db2.gz IKLWFALGFCOHHT-UHFFFAOYSA-N 0 0 420.534 5.447 50 0 HKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000002449289 557348915 /nfs/dbraw/zinc/34/89/15/557348915.db2.gz XBRXQCDHQQUTLE-UHFFFAOYSA-N 0 0 424.570 5.040 50 0 HKAARN CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002449338 557348886 /nfs/dbraw/zinc/34/88/86/557348886.db2.gz BFJNCKXVZONGFA-UHFFFAOYSA-N 0 0 422.337 5.285 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Oc1c2ccccc2oc(=O)c1Cc1ccccc1 ZINC000002449350 557712086 /nfs/dbraw/zinc/71/20/86/557712086.db2.gz VZLKIQJYOMVRBL-UHFFFAOYSA-N 0 0 420.848 5.265 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000002449504 557348824 /nfs/dbraw/zinc/34/88/24/557348824.db2.gz ORIDPSCXCKKJBN-UHFFFAOYSA-N 0 0 405.954 6.497 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)cc1 ZINC000002449547 557348899 /nfs/dbraw/zinc/34/88/99/557348899.db2.gz JUCOVWNVPWUZLO-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN Cc1nn(C2CCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002449549 569402469 /nfs/dbraw/zinc/40/24/69/569402469.db2.gz 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O=C(Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1)c1ccco1 ZINC000002463023 568772582 /nfs/dbraw/zinc/77/25/82/568772582.db2.gz KBRUSUCVKVXBKV-UHFFFAOYSA-N 0 0 423.428 5.592 50 0 HKAARN COc1ccc(Nc2nc(Cl)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000002464388 557350479 /nfs/dbraw/zinc/35/04/79/557350479.db2.gz JNRNTPZAIPKPIC-UHFFFAOYSA-N 0 0 403.873 5.747 50 0 HKAARN Nc1c(C(=O)c2ccccc2)sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12 ZINC000002465721 568772569 /nfs/dbraw/zinc/77/25/69/568772569.db2.gz BDQPHZXCTMQBMN-UHFFFAOYSA-N 0 0 404.922 6.307 50 0 HKAARN CCCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000002465875 557350892 /nfs/dbraw/zinc/35/08/92/557350892.db2.gz QYLVZKMVAVPQMR-UHFFFAOYSA-N 0 0 409.551 5.257 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000002465903 557350853 /nfs/dbraw/zinc/35/08/53/557350853.db2.gz KNHCKZGLNOUXNF-QGZVFWFLSA-N 0 0 424.520 5.079 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000002465906 557350862 /nfs/dbraw/zinc/35/08/62/557350862.db2.gz KNHCKZGLNOUXNF-KRWDZBQOSA-N 0 0 424.520 5.079 50 0 HKAARN CC(C)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1 ZINC000002468540 132255178 /nfs/dbraw/zinc/25/51/78/132255178.db2.gz SHNQFYSMVLFXJN-PXNSSMCTSA-N 0 0 401.304 5.342 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 ZINC000002468923 560187106 /nfs/dbraw/zinc/18/71/06/560187106.db2.gz TWTRFZJCSFQJML-OAQYLSRUSA-N 0 0 410.311 5.884 50 0 in-vitro HKAARN COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 ZINC000002468925 560187093 /nfs/dbraw/zinc/18/70/93/560187093.db2.gz TWTRFZJCSFQJML-NRFANRHFSA-N 0 0 410.311 5.884 50 0 in-vitro HKAARN Fc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000002471960 568773592 /nfs/dbraw/zinc/77/35/92/568773592.db2.gz WFOLKFWQFVFNQW-XZOQPEGZSA-N 0 0 400.457 5.143 50 0 HKAARN COc1cccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)c1 ZINC000002471977 568773604 /nfs/dbraw/zinc/77/36/04/568773604.db2.gz JVTQXGMXUWWIOA-BJKOFHAPSA-N 0 0 412.493 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Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1Br)CCCCC3 ZINC000002483394 568775081 /nfs/dbraw/zinc/77/50/81/568775081.db2.gz WJKSYVUTAJYHHE-UHFFFAOYSA-N 0 0 416.344 5.162 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1C ZINC000002483507 557351414 /nfs/dbraw/zinc/35/14/14/557351414.db2.gz TXFSQJQCOOEBTC-UHFFFAOYSA-N 0 0 411.523 5.314 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)c1 ZINC000002483515 557351688 /nfs/dbraw/zinc/35/16/88/557351688.db2.gz PKOVNRJEOMIYHZ-UHFFFAOYSA-N 0 0 419.502 5.523 50 0 HKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1cccs1 ZINC000002483711 568775054 /nfs/dbraw/zinc/77/50/54/568775054.db2.gz JTSKYRVCPOMQTD-UHFFFAOYSA-N 0 0 402.928 5.456 50 0 HKAARN Cc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)OC(C)C ZINC000002484243 568775110 /nfs/dbraw/zinc/77/51/10/568775110.db2.gz QOZLKKDCSATISH-UHFFFAOYSA-N 0 0 423.490 5.260 50 0 HKAARN Cc1c(Cl)cccc1NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000002485586 557351595 /nfs/dbraw/zinc/35/15/95/557351595.db2.gz AAUSTAUOTWOLJN-UHFFFAOYSA-N 0 0 408.007 6.819 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000002485668 557351629 /nfs/dbraw/zinc/35/16/29/557351629.db2.gz LMCQOSYOLDVBFM-UHFFFAOYSA-N 0 0 400.478 6.053 50 0 HKAARN O=C(NCc1ccccc1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000002485717 557351682 /nfs/dbraw/zinc/35/16/82/557351682.db2.gz BMEBNMBANZRCJA-UHFFFAOYSA-N 0 0 418.581 5.724 50 0 HKAARN CCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000002488414 568775445 /nfs/dbraw/zinc/77/54/45/568775445.db2.gz BIGJWNZTCPLWTR-UHFFFAOYSA-N 0 0 406.536 5.305 50 0 HKAARN CCn1c2ccccc2c2cc(CNc3cc(-c4ccccc4)ccc3OC)ccc21 ZINC000002489951 557352015 /nfs/dbraw/zinc/35/20/15/557352015.db2.gz SKOHVROIEGRJEO-UHFFFAOYSA-N 0 0 406.529 7.102 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)(C)C)cc1)Nc1ccccc1-2 ZINC000002490175 557351951 /nfs/dbraw/zinc/35/19/51/557351951.db2.gz UXESDGGMAMNBOQ-OAQYLSRUSA-N 0 0 420.582 6.231 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)(C)C)cc1)Nc1ccccc1-2 ZINC000002490178 557351971 /nfs/dbraw/zinc/35/19/71/557351971.db2.gz UXESDGGMAMNBOQ-NRFANRHFSA-N 0 0 420.582 6.231 50 0 HKAARN c1ccc(-c2nc3c(c(N4CCCCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002490184 132255193 /nfs/dbraw/zinc/25/51/93/132255193.db2.gz IGZADSZCILIJHL-UHFFFAOYSA-N 0 0 409.577 6.559 50 0 HKAARN O=C(CCCOc1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 ZINC000002490552 560560123 /nfs/dbraw/zinc/56/01/23/560560123.db2.gz GSWBKFKGCNVBRZ-UHFFFAOYSA-N 0 0 412.401 6.646 50 0 HKAARN COc1cc(Br)cc2c1O[C@]1(C=C2)c2ccccc2-c2ccccc2N1C ZINC000002493361 132255167 /nfs/dbraw/zinc/25/51/67/132255167.db2.gz HTYJQGWFOJZVGE-HSZRJFAPSA-N 0 0 420.306 5.833 50 0 HKAARN COc1cc(Br)cc2c1O[C@@]1(C=C2)c2ccccc2-c2ccccc2N1C ZINC000002493363 132255201 /nfs/dbraw/zinc/25/52/01/132255201.db2.gz HTYJQGWFOJZVGE-QHCPKHFHSA-N 0 0 420.306 5.833 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc4ccccc43)c2)cc1 ZINC000002493484 557352231 /nfs/dbraw/zinc/35/22/31/557352231.db2.gz XUMNBXMTDLDIDG-UHFFFAOYSA-N 0 0 422.528 6.642 50 0 HKAARN Brc1ccc(-c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002493690 557352386 /nfs/dbraw/zinc/35/23/86/557352386.db2.gz SCLKRBLCAGIIMU-UHFFFAOYSA-N 0 0 416.322 6.185 50 0 HKAARN c1ccc(-c2ccc(Oc3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1 ZINC000002493742 557352213 /nfs/dbraw/zinc/35/22/13/557352213.db2.gz RZNLUQQRPUHSHD-UHFFFAOYSA-N 0 0 400.481 7.270 50 0 HKAARN Brc1ccc(-c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)cc1 ZINC000002493794 557352334 /nfs/dbraw/zinc/35/23/34/557352334.db2.gz POXOURQUUCBRLU-UHFFFAOYSA-N 0 0 416.322 6.185 50 0 HKAARN O=C(OC1CCCCC1)C(C(=O)OC1CCCCC1)c1nc2ccccc2s1 ZINC000002494332 557352613 /nfs/dbraw/zinc/35/26/13/557352613.db2.gz NVUZIPDWNDYTLZ-UHFFFAOYSA-N 0 0 401.528 5.132 50 0 HKAARN CC(=O)c1c(C)oc2cc(Cl)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002494774 568776322 /nfs/dbraw/zinc/77/63/22/568776322.db2.gz OSTQWAXOYPQQIK-UHFFFAOYSA-N 0 0 405.903 5.323 50 0 HKAARN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc(F)cc4)c4ccccc34)c21 ZINC000002494776 557352606 /nfs/dbraw/zinc/35/26/06/557352606.db2.gz ABAMYNWKZNNOLF-UHFFFAOYSA-N 0 0 409.438 5.045 50 0 HKAARN CC(C)Cc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000002495083 557352582 /nfs/dbraw/zinc/35/25/82/557352582.db2.gz BLNPBUGRRQXBQA-UHFFFAOYSA-N 0 0 400.547 7.545 50 0 HKAARN COc1ccc(-c2c(Cc3ccccc3)nn3c2nc(C)cc3-c2ccccc2)cc1 ZINC000002495140 557352553 /nfs/dbraw/zinc/35/25/53/557352553.db2.gz NEHOLZZPRGZLFK-UHFFFAOYSA-N 0 0 405.501 5.971 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCCC3)cc1 ZINC000002495430 557352646 /nfs/dbraw/zinc/35/26/46/557352646.db2.gz GUOIOEWTIQMXQV-UHFFFAOYSA-N 0 0 408.523 5.101 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000002495435 557352573 /nfs/dbraw/zinc/35/25/73/557352573.db2.gz FKWFRCLMXGRQFA-UHFFFAOYSA-N 0 0 400.434 5.081 50 0 HKAARN COP(=O)(OC)[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002495504 557352515 /nfs/dbraw/zinc/35/25/15/557352515.db2.gz 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CCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)cc1 ZINC000002578198 569282842 /nfs/dbraw/zinc/28/28/42/569282842.db2.gz FIRJBEKJWXNEIG-UHFFFAOYSA-N 0 0 409.485 5.812 50 0 HKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 ZINC000002578202 569282836 /nfs/dbraw/zinc/28/28/36/569282836.db2.gz GLWAQMHVJSAOMO-UHFFFAOYSA-N 0 0 409.485 5.812 50 0 HKAARN CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cc1 ZINC000002578203 569282869 /nfs/dbraw/zinc/28/28/69/569282869.db2.gz NYKSQVDTSDYATF-UHFFFAOYSA-N 0 0 423.512 6.121 50 0 HKAARN CC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12)C(=O)c1ccccc1 ZINC000002578212 569282861 /nfs/dbraw/zinc/28/28/61/569282861.db2.gz XIUHWFWEJLDJMK-XMMPIXPASA-N 0 0 409.485 6.029 50 0 HKAARN CC[C@@H](OC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cccc12)C(=O)c1ccccc1 ZINC000002578213 569282824 /nfs/dbraw/zinc/28/28/24/569282824.db2.gz GJQQGEUJOZBGAW-RUZDIDTESA-N 0 0 423.512 6.337 50 0 HKAARN CC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc21)C(=O)c1ccccc1 ZINC000002578217 569282855 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COc1ccc(/C=C2\CCCC/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000002581595 568702125 /nfs/dbraw/zinc/70/21/25/568702125.db2.gz OVCPLBUUFUNPLX-LRVMPXQBSA-N 0 0 408.494 5.331 50 0 HKAARN Cc1ccccc1-c1c(=O)c2ccc(OCc3ccccc3)c(C)c2oc1C(F)(F)F ZINC000002581657 557357944 /nfs/dbraw/zinc/35/79/44/557357944.db2.gz MIAOVSUOHFORTQ-UHFFFAOYSA-N 0 0 424.418 6.675 50 0 HKAARN CCCOc1cc2oc(C(F)(F)F)c(Oc3ccc(F)cc3)c(=O)c2cc1CC ZINC000002581663 557358017 /nfs/dbraw/zinc/35/80/17/557358017.db2.gz ZSSSUBCNYUVKSF-UHFFFAOYSA-N 0 0 410.363 6.094 50 0 HKAARN CCc1cc2c(cc1OCc1ccccc1)oc(C)c(Oc1ccc(F)cc1)c2=O ZINC000002581664 557357977 /nfs/dbraw/zinc/35/79/77/557357977.db2.gz CDFVLRWBBLYRIV-UHFFFAOYSA-N 0 0 404.437 6.174 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3cccc(C)c3)n2CCc2ccccc2)cc1 ZINC000002581685 557357983 /nfs/dbraw/zinc/35/79/83/557357983.db2.gz DVXATVQXNWNSCQ-QPLCGJKRSA-N 0 0 400.547 6.009 50 0 HKAARN Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1ccc(Cl)cc1Cl ZINC000002581717 557357911 /nfs/dbraw/zinc/35/79/11/557357911.db2.gz QLDJLQDKCIBZFP-UHFFFAOYSA-N 0 0 418.501 6.491 50 0 HKAARN O=c1oc2ccc(Br)cc2c(-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000002581723 557357920 /nfs/dbraw/zinc/35/79/20/557357920.db2.gz MFSYROIGMOLZNA-UHFFFAOYSA-N 0 0 411.682 6.543 50 0 HKAARN O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Br)cc1 ZINC000002581726 557357947 /nfs/dbraw/zinc/35/79/47/557357947.db2.gz WEVOGAUYOXBQSK-UHFFFAOYSA-N 0 0 411.682 6.543 50 0 HKAARN CCOc1ccc2c(c1)oc(=O)c(-c1ccc(Br)cc1)c2-c1ccccc1 ZINC000002581728 557358048 /nfs/dbraw/zinc/35/80/48/557358048.db2.gz YRFBHPKDWZWUOX-UHFFFAOYSA-N 0 0 421.290 6.288 50 0 HKAARN COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2Cc1ccc(Cl)cc1Cl ZINC000002581740 557357958 /nfs/dbraw/zinc/35/79/58/557357958.db2.gz KVZXHIYMWNUYOV-UHFFFAOYSA-N 0 0 411.284 6.366 50 0 HKAARN COc1ccc(N2C(=O)[C@@H](c3cccc4ccccc43)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002582126 557358010 /nfs/dbraw/zinc/35/80/10/557358010.db2.gz BGYOKAVQFGKYKZ-IZZNHLLZSA-N 0 0 423.468 5.449 50 0 HKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000002582328 132255603 /nfs/dbraw/zinc/25/56/03/132255603.db2.gz ZVPLONNQICYKMP-QPJJXVBHSA-N 0 0 409.744 5.317 50 0 HKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002582334 557358001 /nfs/dbraw/zinc/35/80/01/557358001.db2.gz IAXRUDFNYNKUBH-VOTSOKGWSA-N 0 0 418.362 5.251 50 0 HKAARN O=C(Nc1c(F)cc(F)cc1Br)C(c1ccccc1)c1ccccc1 ZINC000002582341 557357938 /nfs/dbraw/zinc/35/79/38/557357938.db2.gz ZZTHAPVLGXGWCN-UHFFFAOYSA-N 0 0 402.238 5.498 50 0 HKAARN FC(F)(F)Oc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000002582367 568785252 /nfs/dbraw/zinc/78/52/52/568785252.db2.gz PWZJDODFBHJWPZ-UHFFFAOYSA-N 0 0 415.234 6.215 50 0 HKAARN FC(F)(F)Oc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000002582395 557357963 /nfs/dbraw/zinc/35/79/63/557357963.db2.gz JZTPSMLCHZZMPO-UHFFFAOYSA-N 0 0 412.436 7.119 50 0 HKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 ZINC000002582408 557357951 /nfs/dbraw/zinc/35/79/51/557357951.db2.gz HTLYEAXMQHGEBA-UHFFFAOYSA-N 0 0 403.551 5.289 50 0 HKAARN COc1ccc(C(=O)C[C@H](Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000002582781 568785253 /nfs/dbraw/zinc/78/52/53/568785253.db2.gz UPMGWSRFYXIWOH-QFIPXVFZSA-N 0 0 400.902 6.594 50 0 HKAARN Cc1c2cc(Cl)cc(Br)c2oc(=O)c1-c1ccc(Cl)cc1Cl ZINC000002583402 291297126 /nfs/dbraw/zinc/29/71/26/291297126.db2.gz YBLGLMRYEOUKNT-UHFFFAOYSA-N 0 0 418.501 6.491 50 0 biogenic,in-vitro HKAARN CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)CC[C@H]1C(C)C ZINC000002584044 557358368 /nfs/dbraw/zinc/35/83/68/557358368.db2.gz RBVGOQHQBUPSGX-ZJZGAYNASA-N 0 0 418.586 7.587 50 0 HKAARN CC(C)[C@H]1CC[C@H](C(C)C)P1c1ccccc1P1[C@@H](C(C)C)CC[C@@H]1C(C)C ZINC000002584045 557358318 /nfs/dbraw/zinc/35/83/18/557358318.db2.gz RBVGOQHQBUPSGX-MOUTVQLLSA-N 0 0 418.586 7.587 50 0 HKAARN Nc1c(C(=O)c2cccc(Cl)c2)sc2nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002584069 557358301 /nfs/dbraw/zinc/35/83/01/557358301.db2.gz DCRHDFTYHMRQSW-UHFFFAOYSA-N 0 0 418.949 6.309 50 0 HKAARN Cc1cc(-c2ccccc2)nc2oc3c(ncnc3N3CCN(c4ccccc4)CC3)c21 ZINC000002585246 132255477 /nfs/dbraw/zinc/25/54/77/132255477.db2.gz FGFSGHYNSPNFJI-UHFFFAOYSA-N 0 0 421.504 5.073 50 0 HKAARN COc1ccc(-c2cc3ccc(OCc4ccccc4Cl)cc3oc2=O)cc1OC ZINC000002586412 557358625 /nfs/dbraw/zinc/35/86/25/557358625.db2.gz NEQGKIFNUHDGSW-UHFFFAOYSA-N 0 0 422.864 5.710 50 0 HKAARN COc1ccccc1NC(=O)Nc1nnc(CSCc2ccc(Cl)cc2)s1 ZINC000002586908 557358582 /nfs/dbraw/zinc/35/85/82/557358582.db2.gz PDYWJOXDTXIOJQ-UHFFFAOYSA-N 0 0 420.947 5.278 50 0 HKAARN COc1ccc2c(c1)NC(C)(C)c1sn(-c3cccc4ccccc43)c(=S)c1-2 ZINC000002588728 557358599 /nfs/dbraw/zinc/35/85/99/557358599.db2.gz QDQXWHYTGXXLJN-UHFFFAOYSA-N 0 0 404.560 6.758 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000002589472 132255521 /nfs/dbraw/zinc/25/55/21/132255521.db2.gz KUAHALKVHCIBCI-UHFFFAOYSA-N 0 0 417.258 6.255 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000002590232 132255556 /nfs/dbraw/zinc/25/55/56/132255556.db2.gz RWUSRLBSKQEAAV-UHFFFAOYSA-N 0 0 417.258 6.255 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000002590316 557358906 /nfs/dbraw/zinc/35/89/06/557358906.db2.gz YZTDXDJBDAKWTD-UHFFFAOYSA-N 0 0 406.873 5.115 50 0 HKAARN CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002590366 557358956 /nfs/dbraw/zinc/35/89/56/557358956.db2.gz NAJGPJFEGKSAGY-UHFFFAOYSA-N 0 0 419.315 5.448 50 0 HKAARN C[C@@H](CCc1ccccc1)Nc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002590719 557358844 /nfs/dbraw/zinc/35/88/44/557358844.db2.gz IDEBLGSCOMNVRF-HNNXBMFYSA-N 0 0 418.566 5.524 50 0 HKAARN C[C@H](CCc1ccccc1)Nc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002590720 557358871 /nfs/dbraw/zinc/35/88/71/557358871.db2.gz IDEBLGSCOMNVRF-OAHLLOKOSA-N 0 0 418.566 5.524 50 0 HKAARN CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2C)cc1 ZINC000002591001 568785162 /nfs/dbraw/zinc/78/51/62/568785162.db2.gz XJVLTCLSVUUAGE-UHFFFAOYSA-N 0 0 402.534 7.149 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc2c(Cl)cccc12 ZINC000002591134 557358924 /nfs/dbraw/zinc/35/89/24/557358924.db2.gz WSIRAIFZIDJRIG-UHFFFAOYSA-N 0 0 414.917 7.022 50 0 HKAARN CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002592430 557358987 /nfs/dbraw/zinc/35/89/87/557358987.db2.gz GFOIONOSFFOYBO-UHFFFAOYSA-N 0 0 423.325 5.945 50 0 HKAARN Cc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1C ZINC000002592863 560670587 /nfs/dbraw/zinc/67/05/87/560670587.db2.gz AJFDQLPSURUCCO-UHFFFAOYSA-N 0 0 422.248 7.288 50 0 HKAARN O=P(Nc1ccc(F)cc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002592974 560585586 /nfs/dbraw/zinc/58/55/86/560585586.db2.gz DAXXRNHQCNSKIS-UHFFFAOYSA-N 0 0 412.184 6.811 50 0 HKAARN O=P(Nc1cccc(F)c1)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000002593078 568785255 /nfs/dbraw/zinc/78/52/55/568785255.db2.gz VCUXXAJEEIIUSX-UHFFFAOYSA-N 0 0 412.184 6.811 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(C)c1 ZINC000002593448 557358968 /nfs/dbraw/zinc/35/89/68/557358968.db2.gz DPKBQVFYFKLTCK-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Cc1cccc(OP(=O)(Nc2ccc(Cl)cc2)Oc2cccc(C)c2C)c1C ZINC000002593709 560585556 /nfs/dbraw/zinc/58/55/56/560585556.db2.gz TWMKLJYNJWDBIR-UHFFFAOYSA-N 0 0 415.857 7.252 50 0 HKAARN Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nc2ccccc2s1 ZINC000002593732 557358835 /nfs/dbraw/zinc/35/88/35/557358835.db2.gz KAGBTKDUHKRXSL-UHFFFAOYSA-N 0 0 416.546 6.413 50 0 HKAARN O=P(NCc1ccccc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000002593742 557358902 /nfs/dbraw/zinc/35/89/02/557358902.db2.gz RVXTUISTDBGJHX-UHFFFAOYSA-N 0 0 408.221 6.349 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000002594164 557358825 /nfs/dbraw/zinc/35/88/25/557358825.db2.gz VATWQFSVLGMGSE-UHFFFAOYSA-N 0 0 406.448 5.737 50 0 HKAARN Cc1cc(C)c(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c(C)c1 ZINC000002594331 560585534 /nfs/dbraw/zinc/58/55/34/560585534.db2.gz JNJNBERUGGBHDF-UHFFFAOYSA-N 0 0 403.365 6.568 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000002594358 568785099 /nfs/dbraw/zinc/78/50/99/568785099.db2.gz UDJZIZKQWFIRAW-UHFFFAOYSA-N 0 0 417.559 5.707 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1Br ZINC000002594379 557358976 /nfs/dbraw/zinc/35/89/76/557358976.db2.gz ATVLHPYHWMBSOI-UHFFFAOYSA-N 0 0 403.301 5.142 50 0 HKAARN Cc1cccc(OP(=O)(Nc2cccc(Cl)c2)Oc2cccc(C)c2C)c1C ZINC000002594570 568785246 /nfs/dbraw/zinc/78/52/46/568785246.db2.gz IYIJZQRPDOVFSA-UHFFFAOYSA-N 0 0 415.857 7.252 50 0 HKAARN Cc1cc(OC(=O)c2ccccc2Cl)cc(OC(=O)c2ccccc2Cl)c1 ZINC000002594639 557359206 /nfs/dbraw/zinc/35/92/06/557359206.db2.gz PBZXARWEKKTSPJ-UHFFFAOYSA-N 0 0 401.245 5.740 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002594653 557359181 /nfs/dbraw/zinc/35/91/81/557359181.db2.gz LAWRXCLJFHRSCE-UHFFFAOYSA-N 0 0 410.498 6.134 50 0 HKAARN CCc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 ZINC000002594814 560585675 /nfs/dbraw/zinc/58/56/75/560585675.db2.gz NCMRKUPPRFIMGZ-UHFFFAOYSA-N 0 0 422.248 7.234 50 0 HKAARN Cc1ccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2ccc(C)cc2)cc1 ZINC000002594833 560585691 /nfs/dbraw/zinc/58/56/91/560585691.db2.gz DNRUMYYHISFDSN-UHFFFAOYSA-N 0 0 411.438 6.769 50 0 HKAARN COc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 ZINC000002595179 557359209 /nfs/dbraw/zinc/35/92/09/557359209.db2.gz ITDQILNOCQDDCP-UHFFFAOYSA-N 0 0 424.220 6.680 50 0 HKAARN Cc1ccc(C(=O)Oc2ccccc2-c2ccccc2OC(=O)c2ccc(C)cc2)cc1 ZINC000002595320 560585707 /nfs/dbraw/zinc/58/57/07/560585707.db2.gz ABVNALMZKODMTQ-UHFFFAOYSA-N 0 0 422.480 6.409 50 0 HKAARN Cc1ccc(-c2ccc(OC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c(C)c2)cc1 ZINC000002595342 557359081 /nfs/dbraw/zinc/35/90/81/557359081.db2.gz VCDQHMAGJMIUPG-UHFFFAOYSA-N 0 0 414.589 7.785 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000002595387 557359064 /nfs/dbraw/zinc/35/90/64/557359064.db2.gz BBQYJKUCIXKKCZ-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 ZINC000002600732 557359557 /nfs/dbraw/zinc/35/95/57/557359557.db2.gz IFJCZMQJJFZHKR-UHFFFAOYSA-N 0 0 413.808 5.140 50 0 HKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cnc4ccccc4c3)sc2n1 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COc1cccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000002687078 569322171 /nfs/dbraw/zinc/32/21/71/569322171.db2.gz JFJSIEDAONMSFL-UHFFFAOYSA-N 0 0 415.518 5.483 50 0 HKAARN CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(C)c4)cc2-3)cc1 ZINC000002687745 557740351 /nfs/dbraw/zinc/74/03/51/557740351.db2.gz FAVLFDJKAXJQIP-UHFFFAOYSA-N 0 0 423.516 5.967 50 0 HKAARN CCN(CC)C(=O)CSc1nc(-c2ccccc2)nc2c1Cc1cc(C)ccc1O2 ZINC000002688001 557740533 /nfs/dbraw/zinc/74/05/33/557740533.db2.gz NJDBYFWAYYZHBT-UHFFFAOYSA-N 0 0 419.550 5.109 50 0 HKAARN Cc1ccc(C)c(N[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000002688098 557367783 /nfs/dbraw/zinc/36/77/83/557367783.db2.gz DSOHCFCSJJFCKF-MRXNPFEDSA-N 0 0 406.140 5.495 50 0 HKAARN Cc1ccc(C)c(N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000002688100 557367837 /nfs/dbraw/zinc/36/78/37/557367837.db2.gz DSOHCFCSJJFCKF-INIZCTEOSA-N 0 0 406.140 5.495 50 0 HKAARN O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002688102 557740559 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Cc1ccc(-c2csc3ncnc(N4CCN(c5ccc(F)cc5)CC4)c23)cc1 ZINC000002701336 557742453 /nfs/dbraw/zinc/74/24/53/557742453.db2.gz NWQDNJIIOHQEAG-UHFFFAOYSA-N 0 0 404.514 5.132 50 0 HKAARN CCOP(=O)(OCC)c1nc2ccc(C)cc2c(Nc2ccc(C)cc2)c1Cl ZINC000002701441 569322270 /nfs/dbraw/zinc/32/22/70/569322270.db2.gz QUVSLCIERLMJPW-UHFFFAOYSA-N 0 0 418.861 6.140 50 0 HKAARN CCOP(=O)(OCC)c1nc2c(C)cccc2c(Nc2ccccc2C)c1Cl ZINC000002701444 568801782 /nfs/dbraw/zinc/80/17/82/568801782.db2.gz IAMUOOVUKPEUGK-UHFFFAOYSA-N 0 0 418.861 6.140 50 0 HKAARN CC(C)OP(=O)(OC(C)C)c1nc2ccccc2c(Nc2ccccc2)c1Cl ZINC000002701447 557368995 /nfs/dbraw/zinc/36/89/95/557368995.db2.gz DNTAUBNICHTMKC-UHFFFAOYSA-N 0 0 418.861 6.300 50 0 HKAARN CCCCCC(=O)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002702012 557369073 /nfs/dbraw/zinc/36/90/73/557369073.db2.gz RAXOLHXXINUBLO-CYBMUJFWSA-N 0 0 407.552 5.765 50 0 HKAARN CCCCCC(=O)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002702014 557369121 /nfs/dbraw/zinc/36/91/21/557369121.db2.gz RAXOLHXXINUBLO-ZDUSSCGKSA-N 0 0 407.552 5.765 50 0 HKAARN CCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002702023 557369010 /nfs/dbraw/zinc/36/90/10/557369010.db2.gz TULVUOUAMAEXDD-CYBMUJFWSA-N 0 0 417.558 5.221 50 0 HKAARN CCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002702025 557369095 /nfs/dbraw/zinc/36/90/95/557369095.db2.gz TULVUOUAMAEXDD-ZDUSSCGKSA-N 0 0 417.558 5.221 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1CCc1ccccc1 ZINC000002703566 557742853 /nfs/dbraw/zinc/74/28/53/557742853.db2.gz NBVMRCBOWIRXRZ-QFIPXVFZSA-N 0 0 415.876 5.234 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 ZINC000002703567 557742856 /nfs/dbraw/zinc/74/28/56/557742856.db2.gz NBVMRCBOWIRXRZ-JOCHJYFZSA-N 0 0 415.876 5.234 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C3=O ZINC000002703593 557742916 /nfs/dbraw/zinc/74/29/16/557742916.db2.gz SXZHPZARURCANV-QHCPKHFHSA-N 0 0 413.448 5.028 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C3=O ZINC000002703594 557742881 /nfs/dbraw/zinc/74/28/81/557742881.db2.gz SXZHPZARURCANV-HSZRJFAPSA-N 0 0 413.448 5.028 50 0 HKAARN COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000002704969 557743649 /nfs/dbraw/zinc/74/36/49/557743649.db2.gz FPZCJRWWMINLNY-NRFANRHFSA-N 0 0 417.848 5.205 50 0 HKAARN COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000002704971 557743741 /nfs/dbraw/zinc/74/37/41/557743741.db2.gz FPZCJRWWMINLNY-OAQYLSRUSA-N 0 0 417.848 5.205 50 0 HKAARN COc1ccccc1O[C@@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000002705406 557743654 /nfs/dbraw/zinc/74/36/54/557743654.db2.gz MPZRMDCRBWSXTR-INIZCTEOSA-N 0 0 415.445 5.078 50 0 HKAARN COc1ccccc1O[C@H](C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000002705407 557743689 /nfs/dbraw/zinc/74/36/89/557743689.db2.gz MPZRMDCRBWSXTR-MRXNPFEDSA-N 0 0 415.445 5.078 50 0 HKAARN COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccccc2)c(OC)c1 ZINC000002705626 568801919 /nfs/dbraw/zinc/80/19/19/568801919.db2.gz XEGCDKMLTWJGQF-UHFFFAOYSA-N 0 0 423.538 5.070 50 0 HKAARN CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 ZINC000002706261 557743701 /nfs/dbraw/zinc/74/37/01/557743701.db2.gz GFXAIZWFWOZCDR-UHFFFAOYSA-N 0 0 413.616 5.112 50 0 HKAARN CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706411 557743792 /nfs/dbraw/zinc/74/37/92/557743792.db2.gz HJVSJQUAARQMOR-UHFFFAOYSA-N 0 0 405.980 5.122 50 0 HKAARN Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2ccc(Cl)cc2)n1 ZINC000002706412 557743823 /nfs/dbraw/zinc/74/38/23/557743823.db2.gz WDVZQCMHIQAEOA-UHFFFAOYSA-N 0 0 405.980 5.120 50 0 HKAARN CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706414 557743837 /nfs/dbraw/zinc/74/38/37/557743837.db2.gz UQYBWKCYZLPGEQ-UHFFFAOYSA-N 0 0 420.007 5.512 50 0 HKAARN CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706416 557743800 /nfs/dbraw/zinc/74/38/00/557743800.db2.gz QZIVIZAWOXRFOX-CQSZACIVSA-N 0 0 420.007 5.510 50 0 HKAARN CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 ZINC000002706418 557743780 /nfs/dbraw/zinc/74/37/80/557743780.db2.gz QZIVIZAWOXRFOX-AWEZNQCLSA-N 0 0 420.007 5.510 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1 ZINC000002706893 557369358 /nfs/dbraw/zinc/36/93/58/557369358.db2.gz AGGPWSXACDCTKH-UHFFFAOYSA-N 0 0 403.265 5.773 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C ZINC000002706895 557369257 /nfs/dbraw/zinc/36/92/57/557369257.db2.gz ULQGKZXMHKVFGP-UHFFFAOYSA-N 0 0 404.249 5.601 50 0 HKAARN Clc1ccc(Cl)c(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)c1 ZINC000002706923 568801977 /nfs/dbraw/zinc/80/19/77/568801977.db2.gz DGRFJBBUGVTLLS-UHFFFAOYSA-N 0 0 403.250 5.680 50 0 HKAARN CCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)o1 ZINC000002706937 557369234 /nfs/dbraw/zinc/36/92/34/557369234.db2.gz LHCPUEWCYLQFQA-UHFFFAOYSA-N 0 0 419.344 5.223 50 0 HKAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1-c1ccccc1C ZINC000002706966 568801937 /nfs/dbraw/zinc/80/19/37/568801937.db2.gz 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Clc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@H](c1cccs1)O2 ZINC000002707245 557744052 /nfs/dbraw/zinc/74/40/52/557744052.db2.gz HVKOWBOZZXKVRD-RTWAWAEBSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccccc3)C1[C@@H](c1cccs1)O2 ZINC000002707247 557744056 /nfs/dbraw/zinc/74/40/56/557744056.db2.gz HVKOWBOZZXKVRD-LEWJYISDSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@@H](c1cccs1)O2 ZINC000002707249 557744128 /nfs/dbraw/zinc/74/41/28/557744128.db2.gz HVKOWBOZZXKVRD-NHCUHLMSSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000002707251 557744127 /nfs/dbraw/zinc/74/41/27/557744127.db2.gz RPZQBPAOSZMSFU-NHCUHLMSSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000002707253 557744119 /nfs/dbraw/zinc/74/41/19/557744119.db2.gz RPZQBPAOSZMSFU-RTWAWAEBSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)c1 ZINC000002707254 557744114 /nfs/dbraw/zinc/74/41/14/557744114.db2.gz RPZQBPAOSZMSFU-LEWJYISDSA-N 0 0 418.909 5.553 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)c1 ZINC000002707256 557744284 /nfs/dbraw/zinc/74/42/84/557744284.db2.gz RPZQBPAOSZMSFU-SFTDATJTSA-N 0 0 418.909 5.553 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002707257 557744299 /nfs/dbraw/zinc/74/42/99/557744299.db2.gz CEBWMWIVTCQMCD-NTCAYCPXSA-N 0 0 411.567 5.753 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002707279 557369282 /nfs/dbraw/zinc/36/92/82/557369282.db2.gz IHBADBQXFTUANN-VQHVLOKHSA-N 0 0 410.322 5.372 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002707280 557744217 /nfs/dbraw/zinc/74/42/17/557744217.db2.gz JVNOFTQUGNLNEH-GOTSBHOMSA-N 0 0 412.518 5.169 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)C32)cc1 ZINC000002707282 557744261 /nfs/dbraw/zinc/74/42/61/557744261.db2.gz JVNOFTQUGNLNEH-XZOQPEGZSA-N 0 0 412.518 5.169 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002707284 557744337 /nfs/dbraw/zinc/74/43/37/557744337.db2.gz JVNOFTQUGNLNEH-PKTZIBPZSA-N 0 0 412.518 5.169 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccs4)C32)cc1 ZINC000002707286 557744302 /nfs/dbraw/zinc/74/43/02/557744302.db2.gz JVNOFTQUGNLNEH-DHIUTWEWSA-N 0 0 412.518 5.169 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CC[C@H](C)C2 ZINC000002708103 557744503 /nfs/dbraw/zinc/74/45/03/557744503.db2.gz GFWCBOPBCCKRRT-LBPRGKRZSA-N 0 0 403.569 5.242 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CC[C@@H](C)C2 ZINC000002708108 557744487 /nfs/dbraw/zinc/74/44/87/557744487.db2.gz GFWCBOPBCCKRRT-GFCCVEGCSA-N 0 0 403.569 5.242 50 0 HKAARN COc1ccc2cc(Br)ccc2c1CSc1nc2ccccc2s1 ZINC000002708156 557369242 /nfs/dbraw/zinc/36/92/42/557369242.db2.gz ZXZYLAXGVAOSGG-UHFFFAOYSA-N 0 0 416.365 6.513 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(CSc2ccccc2)o1 ZINC000002708435 557369246 /nfs/dbraw/zinc/36/92/46/557369246.db2.gz GMMYMMWZLSOARU-UHFFFAOYSA-N 0 0 415.536 5.679 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OCC)cc1 ZINC000002708775 557369307 /nfs/dbraw/zinc/36/93/07/557369307.db2.gz WYOGWNGFBFMNDS-UHFFFAOYSA-N 0 0 409.507 5.551 50 0 HKAARN Cc1ccc(Sc2nc(Nc3ccccc3)sc2Sc2ccc(C)cc2)cc1 ZINC000002709090 557744516 /nfs/dbraw/zinc/74/45/16/557744516.db2.gz KWOKCJCVHMKETE-UHFFFAOYSA-N 0 0 420.628 7.806 50 0 HKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccccc2)c1C ZINC000002709613 557369624 /nfs/dbraw/zinc/36/96/24/557369624.db2.gz GFNFWIFDCQRLCA-OAQYLSRUSA-N 0 0 403.507 5.807 50 0 HKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccccc2)c1C ZINC000002709617 557369665 /nfs/dbraw/zinc/36/96/65/557369665.db2.gz GFNFWIFDCQRLCA-NRFANRHFSA-N 0 0 403.507 5.807 50 0 HKAARN O=C(/C=C/c1ccco1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000002709757 557744791 /nfs/dbraw/zinc/74/47/91/557744791.db2.gz DMLCXNACJDPKFE-VAWYXSNFSA-N 0 0 406.532 6.149 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000002710308 557745191 /nfs/dbraw/zinc/74/51/91/557745191.db2.gz OLOYZIVOMXDSHC-UHFFFAOYSA-N 0 0 424.831 5.837 50 0 HKAARN O=C1S/C(=C2/SC(=O)N(c3ccccc3)C2=S)C(=S)N1c1ccccc1 ZINC000002711568 557745148 /nfs/dbraw/zinc/74/51/48/557745148.db2.gz IZMJDYXGDXFWCX-BUHFOSPRSA-N 0 0 414.558 5.600 50 0 HKAARN Clc1ccc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)cc1 ZINC000002711786 568802152 /nfs/dbraw/zinc/80/21/52/568802152.db2.gz MQSNGEKYTRSHBO-UHFFFAOYSA-N 0 0 415.674 5.885 50 0 HKAARN CCCCCNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc21 ZINC000002713084 557742324 /nfs/dbraw/zinc/74/23/24/557742324.db2.gz AUPQBFQQXCWAFS-UHFFFAOYSA-N 0 0 410.319 5.309 50 0 HKAARN Brc1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 ZINC000002713105 557742349 /nfs/dbraw/zinc/74/23/49/557742349.db2.gz CQVBYPRXKBDGET-UHFFFAOYSA-N 0 0 422.330 5.087 50 0 HKAARN CC(C)CCNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc21 ZINC000002713107 557742346 /nfs/dbraw/zinc/74/23/46/557742346.db2.gz 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CCC(=O)Oc1c(Sc2c(F)c(F)c(F)c(F)c2F)c(C)nn1C(C)(C)C ZINC000002718661 568802968 /nfs/dbraw/zinc/80/29/68/568802968.db2.gz MPBSKRDFEXFZSG-UHFFFAOYSA-N 0 0 408.392 5.109 50 0 HKAARN Cc1nn(C(C)(C)C)c(OC(=O)C(C)C)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000002718662 568802998 /nfs/dbraw/zinc/80/29/98/568802998.db2.gz MRAUCYNSOLNTOC-UHFFFAOYSA-N 0 0 422.419 5.355 50 0 HKAARN O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1-c1ccccc1)CCS2 ZINC000002719713 557751259 /nfs/dbraw/zinc/75/12/59/557751259.db2.gz GVYFXZQZNBDWHL-UHFFFAOYSA-N 0 0 420.481 5.192 50 0 HKAARN O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1-c1ccccc1)CCS2 ZINC000002719714 557751282 /nfs/dbraw/zinc/75/12/82/557751282.db2.gz GQTCFUPHWCVOPF-UHFFFAOYSA-N 0 0 420.481 5.192 50 0 HKAARN O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1-c1ccccc1)CCS2 ZINC000002719729 557751285 /nfs/dbraw/zinc/75/12/85/557751285.db2.gz KPACHQNRHWWIOV-UHFFFAOYSA-N 0 0 421.374 5.480 50 0 HKAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(Cl)cc2)CCS3)cc1 ZINC000002719805 557746627 /nfs/dbraw/zinc/74/66/27/557746627.db2.gz 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O=C(Nc1ccc(Br)cc1F)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002729564 557371335 /nfs/dbraw/zinc/37/13/35/557371335.db2.gz CXNMNFGUUWWRCG-LJQANCHMSA-N 0 0 416.315 6.060 50 0 HKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000002729583 557753900 /nfs/dbraw/zinc/75/39/00/557753900.db2.gz QSCZRYJMQJXSMP-UHFFFAOYSA-N 0 0 420.362 5.911 50 0 HKAARN CCCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCC2 ZINC000002729630 557371423 /nfs/dbraw/zinc/37/14/23/557371423.db2.gz QAJTVFBAJYIDNA-ZHACJKMWSA-N 0 0 421.921 5.638 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002729660 557371383 /nfs/dbraw/zinc/37/13/83/557371383.db2.gz SCCDQSWISXJTOJ-UHFFFAOYSA-N 0 0 400.909 6.678 50 0 HKAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCCC(c1ccccc1)c1ccccc1 ZINC000002729664 557753924 /nfs/dbraw/zinc/75/39/24/557753924.db2.gz XIOFDXFJTXXFJC-CCEZHUSRSA-N 0 0 410.344 6.345 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NCCCCc3ccccc3)c3ccccc3n2)cc1 ZINC000002729672 557371394 /nfs/dbraw/zinc/37/13/94/557371394.db2.gz 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568804579 /nfs/dbraw/zinc/80/45/79/568804579.db2.gz AXBJGRXGUZILPL-UHFFFAOYSA-N 0 0 416.506 5.210 50 0 HKAARN Cc1nn(Cc2cccc(-c3nc4c5c(C)c(C)sc5ncn4n3)c2)c(C)c1Cl ZINC000002731600 568804790 /nfs/dbraw/zinc/80/47/90/568804790.db2.gz ZAAXCTVESMUOCR-UHFFFAOYSA-N 0 0 422.945 5.138 50 0 HKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2)nc1-c1ccc(CC(C)C)cc1 ZINC000002731699 557372006 /nfs/dbraw/zinc/37/20/06/557372006.db2.gz KCYIPWPITAWTHY-UHFFFAOYSA-N 0 0 409.580 5.444 50 0 HKAARN C[C@H](NC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000002731839 557372296 /nfs/dbraw/zinc/37/22/96/557372296.db2.gz OCSQDEVLJKMZFA-SFHVURJKSA-N 0 0 421.968 6.708 50 0 HKAARN C[C@@H](NC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000002731840 557372067 /nfs/dbraw/zinc/37/20/67/557372067.db2.gz OCSQDEVLJKMZFA-GOSISDBHSA-N 0 0 421.968 6.708 50 0 HKAARN Clc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c(Cl)c1 ZINC000002732668 557754748 /nfs/dbraw/zinc/75/47/48/557754748.db2.gz JXXIPSOHIBUCCM-UHFFFAOYSA-N 0 0 411.248 5.423 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3nc4c(cccc4C)s3)sc2c1 ZINC000002732928 557372678 /nfs/dbraw/zinc/37/26/78/557372678.db2.gz OJYKSSOBHQRONE-UHFFFAOYSA-N 0 0 415.565 5.344 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000002733248 568805162 /nfs/dbraw/zinc/80/51/62/568805162.db2.gz PEWCEVRELMHIDB-UHFFFAOYSA-N 0 0 417.350 6.894 50 0 HKAARN COc1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000002733253 568805122 /nfs/dbraw/zinc/80/51/22/568805122.db2.gz ZSOUGFIXWWJGAG-UHFFFAOYSA-N 0 0 410.851 6.206 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccccc2F)c1-c1cccc(OC)c1 ZINC000002733271 568805156 /nfs/dbraw/zinc/80/51/56/568805156.db2.gz IFNWMZLTFVHNCK-UHFFFAOYSA-N 0 0 416.496 5.984 50 0 HKAARN Fc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000002733287 568805283 /nfs/dbraw/zinc/80/52/83/568805283.db2.gz HRLPUQQCVAJTFT-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(C)c(Cl)c2)n1 ZINC000002733288 568805293 /nfs/dbraw/zinc/80/52/93/568805293.db2.gz SRFIPBLPJRQKTO-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)cc3Cl)n2)cc1C ZINC000002733303 557755015 /nfs/dbraw/zinc/75/50/15/557755015.db2.gz TYAPRNDDLYTRIP-UHFFFAOYSA-N 0 0 421.371 7.747 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(-c2cc(Cl)ccc2Cl)c1-c1ccc(F)cc1 ZINC000002733308 557754939 /nfs/dbraw/zinc/75/49/39/557754939.db2.gz NHRAXHGFECPBQQ-UHFFFAOYSA-N 0 0 415.270 7.100 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(Cc2cccc(C(F)(F)F)c2)c1-c1cccc(C)c1 ZINC000002733311 568805318 /nfs/dbraw/zinc/80/53/18/568805318.db2.gz LSPPUDGCKGISDF-UHFFFAOYSA-N 0 0 420.478 7.209 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000002733313 568805295 /nfs/dbraw/zinc/80/52/95/568805295.db2.gz JXPUZEVTWMCITO-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002733322 568805373 /nfs/dbraw/zinc/80/53/73/568805373.db2.gz KCIJLWGAIGPRRM-UHFFFAOYSA-N 0 0 418.924 6.494 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)cc1 ZINC000002733334 568805285 /nfs/dbraw/zinc/80/52/85/568805285.db2.gz UXBRVTYSKLREEU-UHFFFAOYSA-N 0 0 410.517 5.977 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2cccc(F)c2)c1-c1ccc(OC)cc1 ZINC000002733346 568805282 /nfs/dbraw/zinc/80/52/82/568805282.db2.gz OLXTUWYNPLEHNX-UHFFFAOYSA-N 0 0 402.469 5.925 50 0 HKAARN COc1ccc(Cn2nc(-c3ccccc3OC)cc2-c2ccccc2OC)cc1 ZINC000002733354 568805322 /nfs/dbraw/zinc/80/53/22/568805322.db2.gz JDGSQGPNJJLWDB-UHFFFAOYSA-N 0 0 400.478 5.291 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(Cc2ccc(F)cc2Cl)c1-c1ccc(F)cc1 ZINC000002733384 568805307 /nfs/dbraw/zinc/80/53/07/568805307.db2.gz GECBTSOFDRBPOH-UHFFFAOYSA-N 0 0 412.842 6.645 50 0 HKAARN COc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 ZINC000002733390 568805300 /nfs/dbraw/zinc/80/53/00/568805300.db2.gz BJWBYQMCCQLMEN-UHFFFAOYSA-N 0 0 410.561 6.816 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(F)cc1 ZINC000002733400 557755012 /nfs/dbraw/zinc/75/50/12/557755012.db2.gz WNUDIMDJJFVZSS-UHFFFAOYSA-N 0 0 415.270 7.100 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 ZINC000002733403 568805301 /nfs/dbraw/zinc/80/53/01/568805301.db2.gz BWTYRGZIJMXPQF-UHFFFAOYSA-N 0 0 415.270 7.100 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2cc(C)ccc2C)c1-c1ccc(C)c(C)c1 ZINC000002733416 557754996 /nfs/dbraw/zinc/75/49/96/557754996.db2.gz IFPHJSQQKZWMQS-UHFFFAOYSA-N 0 0 408.589 7.424 50 0 HKAARN COc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002733428 568805291 /nfs/dbraw/zinc/80/52/91/568805291.db2.gz VWPGRZHQBLACCA-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(-c2cc(Cl)ccc2Cl)c1-c1cccc(C)c1 ZINC000002733439 568805288 /nfs/dbraw/zinc/80/52/88/568805288.db2.gz CAQXBWLCRAEFIM-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccccc2C)c1-c1cccc(OC)c1 ZINC000002733443 568805343 /nfs/dbraw/zinc/80/53/43/568805343.db2.gz FNYVMBLZMOWHGN-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN COc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000002733445 568805287 /nfs/dbraw/zinc/80/52/87/568805287.db2.gz REEPWCQIHRGHFJ-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1C ZINC000002733448 568805357 /nfs/dbraw/zinc/80/53/57/568805357.db2.gz JIRJICZTCVLNGT-UHFFFAOYSA-N 0 0 421.371 7.747 50 0 HKAARN COc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c1 ZINC000002733449 568805292 /nfs/dbraw/zinc/80/52/92/568805292.db2.gz OBZOHOSRLAXEQY-UHFFFAOYSA-N 0 0 410.561 6.816 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1cccc(C)c1 ZINC000002733458 568805360 /nfs/dbraw/zinc/80/53/60/568805360.db2.gz OHELUUVMCFHOSM-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(Cc2c(F)cccc2Cl)c1-c1ccc(F)cc1 ZINC000002733473 557754952 /nfs/dbraw/zinc/75/49/52/557754952.db2.gz CBEXEQJBQFOGOX-UHFFFAOYSA-N 0 0 412.842 6.645 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(F)c2)c1-c1cccc(OC)c1 ZINC000002733481 568805328 /nfs/dbraw/zinc/80/53/28/568805328.db2.gz AHYVPOXHJMSGFY-UHFFFAOYSA-N 0 0 416.496 5.984 50 0 HKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2ccc(Cl)cc2)n1 ZINC000002733501 568805316 /nfs/dbraw/zinc/80/53/16/568805316.db2.gz UCWDSEQVMNAZFG-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(CC)c2-c2cccc(OC)c2)cc1 ZINC000002733518 557754949 /nfs/dbraw/zinc/75/49/49/557754949.db2.gz CHDSUPIENKCRDN-UHFFFAOYSA-N 0 0 424.544 6.488 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000002733520 568805346 /nfs/dbraw/zinc/80/53/46/568805346.db2.gz MCDZSHSKQZSBHE-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2cccc(Cl)c2)c1-c1ccc(C)c(C)c1 ZINC000002733526 557754971 /nfs/dbraw/zinc/75/49/71/557754971.db2.gz FZYNJWRPPXPPRK-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN Cc1c(-c2ccc(F)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(F)cc1 ZINC000002733543 568805365 /nfs/dbraw/zinc/80/53/65/568805365.db2.gz DTOOMGQFUSTIFF-UHFFFAOYSA-N 0 0 415.270 7.100 50 0 HKAARN CCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(Cl)c1-c1ccc(C)c(C)c1 ZINC000002733544 568805363 /nfs/dbraw/zinc/80/53/63/568805363.db2.gz MGVWFWKXPMEYPO-UHFFFAOYSA-N 0 0 414.980 7.656 50 0 HKAARN C=Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 ZINC000002733547 557754968 /nfs/dbraw/zinc/75/49/68/557754968.db2.gz UIRUBGILOGEPST-UHFFFAOYSA-N 0 0 406.573 7.451 50 0 HKAARN COc1cccc(-c2nn(Cc3cccc(F)c3)c(-c3cccc(OC)c3)c2C)c1 ZINC000002733549 568805299 /nfs/dbraw/zinc/80/52/99/568805299.db2.gz PMGNDQFIUPUMHM-UHFFFAOYSA-N 0 0 402.469 5.730 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)cc1 ZINC000002733551 568805339 /nfs/dbraw/zinc/80/53/39/568805339.db2.gz BGWKGRCVGYMMQU-UHFFFAOYSA-N 0 0 418.443 5.639 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(C)cc1 ZINC000002733563 568805305 /nfs/dbraw/zinc/80/53/05/568805305.db2.gz ZINUAKKVYFSQCS-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002733566 557754957 /nfs/dbraw/zinc/75/49/57/557754957.db2.gz DAAMNXHJYBNEDT-UHFFFAOYSA-N 0 0 408.860 6.016 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cn2cc(Cl)cn2)c1-c1cccc(OC)c1 ZINC000002733568 568805296 /nfs/dbraw/zinc/80/52/96/568805296.db2.gz ZXILDPJLMAIZBM-UHFFFAOYSA-N 0 0 422.916 5.152 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1C ZINC000002733570 568805377 /nfs/dbraw/zinc/80/53/77/568805377.db2.gz JQYTVQULJCLOIH-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c1 ZINC000002733580 568805314 /nfs/dbraw/zinc/80/53/14/568805314.db2.gz JPEFSYBQERLOJP-UHFFFAOYSA-N 0 0 418.443 5.639 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(C)nn2-c1ccccc1 ZINC000002733596 557754974 /nfs/dbraw/zinc/75/49/74/557754974.db2.gz WKCPKRROZAKYIR-UHFFFAOYSA-N 0 0 412.276 5.489 50 0 HKAARN CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002733673 557372991 /nfs/dbraw/zinc/37/29/91/557372991.db2.gz OAHMNDYPANNHMQ-UHFFFAOYSA-N 0 0 401.897 5.874 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 ZINC000002733702 557755153 /nfs/dbraw/zinc/75/51/53/557755153.db2.gz STUBQOGXMOMCGI-UHFFFAOYSA-N 0 0 419.353 6.016 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C)nn2-c1ccccc1 ZINC000002733724 557755152 /nfs/dbraw/zinc/75/51/52/557755152.db2.gz RHZXUKYHMWAMHT-UHFFFAOYSA-N 0 0 412.276 5.489 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000002733744 557755146 /nfs/dbraw/zinc/75/51/46/557755146.db2.gz VCIVJPPQCBUZHW-UHFFFAOYSA-N 0 0 414.253 6.096 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12 ZINC000002733768 557755150 /nfs/dbraw/zinc/75/51/50/557755150.db2.gz WHZLHWFBFYAPGO-UHFFFAOYSA-N 0 0 409.455 6.712 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c12 ZINC000002733781 557755159 /nfs/dbraw/zinc/75/51/59/557755159.db2.gz ZVFOGDKXSHZJQT-UHFFFAOYSA-N 0 0 422.237 6.722 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000002733813 557755147 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5.209 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002741698 557752860 /nfs/dbraw/zinc/75/28/60/557752860.db2.gz ZZXGGMZUFHWJNI-UHFFFAOYSA-N 0 0 408.866 5.598 50 0 HKAARN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000002741716 557375810 /nfs/dbraw/zinc/37/58/10/557375810.db2.gz IMCVFYPLVXLICS-UHFFFAOYSA-N 0 0 408.885 5.172 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 ZINC000002741718 557375784 /nfs/dbraw/zinc/37/57/84/557375784.db2.gz VWBGHDUCSGHLDF-LJQANCHMSA-N 0 0 410.568 5.656 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 ZINC000002741719 557375798 /nfs/dbraw/zinc/37/57/98/557375798.db2.gz VWBGHDUCSGHLDF-IBGZPJMESA-N 0 0 410.568 5.656 50 0 HKAARN O=C(NCc1ccccc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002741736 557752887 /nfs/dbraw/zinc/75/28/87/557752887.db2.gz GQRJLCOIHPWRHM-UHFFFAOYSA-N 0 0 417.306 5.594 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n2)c1 ZINC000002741781 557375870 /nfs/dbraw/zinc/37/58/70/557375870.db2.gz ZCNFUCGARZSZNW-UHFFFAOYSA-N 0 0 422.406 6.182 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 ZINC000002741814 557375820 /nfs/dbraw/zinc/37/58/20/557375820.db2.gz YTCLPBAOVWGKSK-GOSISDBHSA-N 0 0 416.909 5.726 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 ZINC000002741815 557375862 /nfs/dbraw/zinc/37/58/62/557375862.db2.gz YTCLPBAOVWGKSK-SFHVURJKSA-N 0 0 416.909 5.726 50 0 HKAARN Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002741878 557752865 /nfs/dbraw/zinc/75/28/65/557752865.db2.gz RVJUZJFPYXTWTQ-UHFFFAOYSA-N 0 0 407.941 6.036 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 ZINC000002741883 557752842 /nfs/dbraw/zinc/75/28/42/557752842.db2.gz VOOIFXKPQRZOQL-UHFFFAOYSA-N 0 0 404.872 6.509 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCCc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000002741884 557752852 /nfs/dbraw/zinc/75/28/52/557752852.db2.gz XTFUKSNENBMUPM-UHFFFAOYSA-N 0 0 410.517 5.445 50 0 biogenic HKAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000002741936 557752784 /nfs/dbraw/zinc/75/27/84/557752784.db2.gz NYTJJUGLOXUUIE-UHFFFAOYSA-N 0 0 409.533 6.309 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1C ZINC000002741986 557752761 /nfs/dbraw/zinc/75/27/61/557752761.db2.gz JLZNCHHAGPDMCK-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN NC(=O)c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)CCCCCC2 ZINC000002742014 557375865 /nfs/dbraw/zinc/37/58/65/557375865.db2.gz VFZURFUTTOCEMO-UHFFFAOYSA-N 0 0 418.562 5.277 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)OC)C1 ZINC000002742108 557375842 /nfs/dbraw/zinc/37/58/42/557375842.db2.gz KWNWZXRRKOPJLV-NSHDSACASA-N 0 0 422.344 5.064 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)OC)C1 ZINC000002742109 557375803 /nfs/dbraw/zinc/37/58/03/557375803.db2.gz KWNWZXRRKOPJLV-LLVKDONJSA-N 0 0 422.344 5.064 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002742252 557752870 /nfs/dbraw/zinc/75/28/70/557752870.db2.gz ADAIDLFPVAZZHO-VWLOTQADSA-N 0 0 411.526 6.951 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002742253 557752837 /nfs/dbraw/zinc/75/28/37/557752837.db2.gz ADAIDLFPVAZZHO-RUZDIDTESA-N 0 0 411.526 6.951 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1 ZINC000002742260 557752796 /nfs/dbraw/zinc/75/27/96/557752796.db2.gz VRGWUKGJNBRKOF-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN O=C(NC1CCCCCC1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002742301 557752879 /nfs/dbraw/zinc/75/28/79/557752879.db2.gz KMYBZWTUFGYJGO-UHFFFAOYSA-N 0 0 423.354 6.117 50 0 HKAARN CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCC2 ZINC000002742311 557752877 /nfs/dbraw/zinc/75/28/77/557752877.db2.gz JJOFPKHSSLDTKU-UHFFFAOYSA-N 0 0 415.555 5.164 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc3n2)cc1 ZINC000002742337 557752817 /nfs/dbraw/zinc/75/28/17/557752817.db2.gz ODAIVWITXAWPHN-UHFFFAOYSA-N 0 0 410.473 5.503 50 0 HKAARN COc1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c(OC)c1 ZINC000002742343 557375836 /nfs/dbraw/zinc/37/58/36/557375836.db2.gz JRAWJCRTTSAXMJ-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000002742379 132257332 /nfs/dbraw/zinc/25/73/32/132257332.db2.gz NJJNWOJGCQOMSQ-UHFFFAOYSA-N 0 0 421.544 5.481 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002742411 557752883 /nfs/dbraw/zinc/75/28/83/557752883.db2.gz IIGNGQLEOLAJIY-UHFFFAOYSA-N 0 0 400.909 6.931 50 0 HKAARN CCCCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 ZINC000002742429 557375856 /nfs/dbraw/zinc/37/58/56/557375856.db2.gz AUJXFSFJGFADTE-UHFFFAOYSA-N 0 0 416.568 5.605 50 0 HKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 ZINC000002742432 568806113 /nfs/dbraw/zinc/80/61/13/568806113.db2.gz ZUKQJBGUHAANAU-UHFFFAOYSA-N 0 0 405.910 5.563 50 0 HKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002742572 557375800 /nfs/dbraw/zinc/37/58/00/557375800.db2.gz 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ZINC000002742890 568805993 /nfs/dbraw/zinc/80/59/93/568805993.db2.gz ISNNYXNQHXQMLR-UHFFFAOYSA-N 0 0 409.656 5.744 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(=O)OC)C1 ZINC000002743032 557756604 /nfs/dbraw/zinc/75/66/04/557756604.db2.gz NJJSZERCNRJVGR-AWEZNQCLSA-N 0 0 406.592 5.530 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(=O)OC)C1 ZINC000002743033 557756562 /nfs/dbraw/zinc/75/65/62/557756562.db2.gz NJJSZERCNRJVGR-CQSZACIVSA-N 0 0 406.592 5.530 50 0 HKAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)cs1 ZINC000002743434 557756594 /nfs/dbraw/zinc/75/65/94/557756594.db2.gz HKJCPWDTRROISR-AWEZNQCLSA-N 0 0 419.612 5.952 50 0 HKAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)cs1 ZINC000002743435 557756557 /nfs/dbraw/zinc/75/65/57/557756557.db2.gz HKJCPWDTRROISR-CQSZACIVSA-N 0 0 419.612 5.952 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000002743437 568806053 /nfs/dbraw/zinc/80/60/53/568806053.db2.gz IATOYEXYXATFIW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/75/68/68/557756868.db2.gz YAWFKIOHBOLPDY-UHFFFAOYSA-N 0 0 410.951 6.591 50 0 HKAARN Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)n1 ZINC000002744086 557756833 /nfs/dbraw/zinc/75/68/33/557756833.db2.gz FHLXGQSUYXBEKG-UHFFFAOYSA-N 0 0 419.456 5.112 50 0 HKAARN Cc1sc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000002744170 557376310 /nfs/dbraw/zinc/37/63/10/557376310.db2.gz MKEGOOCBQDYGJD-JJIBRWJFSA-N 0 0 424.569 6.915 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1C ZINC000002744712 557756850 /nfs/dbraw/zinc/75/68/50/557756850.db2.gz FRMHTGMGHOAHNP-UHFFFAOYSA-N 0 0 410.473 5.177 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)Nc1ccccc1-2 ZINC000002744818 557376275 /nfs/dbraw/zinc/37/62/75/557376275.db2.gz PGVFVOQMQOTZOX-LJQANCHMSA-N 0 0 412.946 5.977 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)Nc1ccccc1-2 ZINC000002744819 557376258 /nfs/dbraw/zinc/37/62/58/557376258.db2.gz PGVFVOQMQOTZOX-IBGZPJMESA-N 0 0 412.946 5.977 50 0 HKAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 ZINC000002744901 557376281 /nfs/dbraw/zinc/37/62/81/557376281.db2.gz BNPMXJHCSHKQSY-AWEZNQCLSA-N 0 0 401.528 5.089 50 0 HKAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 ZINC000002744902 557376243 /nfs/dbraw/zinc/37/62/43/557376243.db2.gz BNPMXJHCSHKQSY-CQSZACIVSA-N 0 0 401.528 5.089 50 0 HKAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000002744950 568806215 /nfs/dbraw/zinc/80/62/15/568806215.db2.gz QABHRIZGINSDAF-MOSHPQCFSA-N 0 0 419.864 5.272 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000002745107 557376622 /nfs/dbraw/zinc/37/66/22/557376622.db2.gz GIHMYZOVHLNNBL-UHFFFAOYSA-N 0 0 424.522 5.408 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCCCCc3ccccc3)c3ccccc3n2)s1 ZINC000002745148 557376691 /nfs/dbraw/zinc/37/66/91/557376691.db2.gz NMNAIWLFHKYDKY-UHFFFAOYSA-N 0 0 400.547 6.024 50 0 HKAARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000002745160 557756807 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O=C1C[C@@H](c2c(F)cccc2Cl)c2cc(Br)c3ccccc3c2N1 ZINC000002757808 557380415 /nfs/dbraw/zinc/38/04/15/557380415.db2.gz KUDPWQJTNWECDK-GFCCVEGCSA-N 0 0 404.666 5.869 50 0 HKAARN O=C1C[C@H](c2c(F)cccc2Cl)c2cc(Br)c3ccccc3c2N1 ZINC000002757809 557380386 /nfs/dbraw/zinc/38/03/86/557380386.db2.gz KUDPWQJTNWECDK-LBPRGKRZSA-N 0 0 404.666 5.869 50 0 HKAARN O=C(NCc1cccs1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002758379 557758223 /nfs/dbraw/zinc/75/82/23/557758223.db2.gz VUHQJHWFMLHVHA-UHFFFAOYSA-N 0 0 423.335 5.656 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 ZINC000002758388 557758141 /nfs/dbraw/zinc/75/81/41/557758141.db2.gz UMKMENPQFCOSEC-UHFFFAOYSA-N 0 0 421.294 5.496 50 0 HKAARN O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002758436 557380752 /nfs/dbraw/zinc/38/07/52/557380752.db2.gz QYYRUFJNWVDXAQ-UHFFFAOYSA-N 0 0 407.267 5.187 50 0 HKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1Cl ZINC000002758442 557380756 /nfs/dbraw/zinc/38/07/56/557380756.db2.gz BCROFMKMHIIDGP-UHFFFAOYSA-N 0 0 419.861 5.012 50 0 HKAARN CCc1ccccc1NC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc21 ZINC000002758451 557758242 /nfs/dbraw/zinc/75/82/42/557758242.db2.gz CUVOWHOAWBJUBV-UHFFFAOYSA-N 0 0 410.517 6.504 50 0 HKAARN NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl ZINC000002758578 568806998 /nfs/dbraw/zinc/80/69/98/568806998.db2.gz CGHXBRFQFZBBGL-JLPGSUDCSA-N 0 0 401.171 5.090 50 0 HKAARN Cc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002758772 557381071 /nfs/dbraw/zinc/38/10/71/557381071.db2.gz LJUFFDDCMJSJNZ-BJKOFHAPSA-N 0 0 405.925 6.109 50 0 HKAARN Cc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002758773 557381089 /nfs/dbraw/zinc/38/10/89/557381089.db2.gz LJUFFDDCMJSJNZ-DNQXCXABSA-N 0 0 405.925 6.109 50 0 HKAARN Cc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002758774 557381078 /nfs/dbraw/zinc/38/10/78/557381078.db2.gz LJUFFDDCMJSJNZ-ZEQRLZLVSA-N 0 0 405.925 6.109 50 0 HKAARN Cc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000002758775 557380991 /nfs/dbraw/zinc/38/09/91/557380991.db2.gz LJUFFDDCMJSJNZ-RPWUZVMVSA-N 0 0 405.925 6.109 50 0 HKAARN CCc1c(C)sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C(N)=O ZINC000002759113 557758209 /nfs/dbraw/zinc/75/82/09/557758209.db2.gz MSSLQBANZDJKLX-UHFFFAOYSA-N 0 0 413.351 5.492 50 0 HKAARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 ZINC000002759159 557758144 /nfs/dbraw/zinc/75/81/44/557758144.db2.gz MRAJHQVLOCAZGX-UHFFFAOYSA-N 0 0 414.936 7.006 50 0 HKAARN CCOc1cccc(-c2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)c1 ZINC000002759326 568806996 /nfs/dbraw/zinc/80/69/96/568806996.db2.gz XKJVEGMECIGYTP-UHFFFAOYSA-N 0 0 412.489 5.239 50 0 HKAARN CCCOc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 ZINC000002759378 557381035 /nfs/dbraw/zinc/38/10/35/557381035.db2.gz QHFRUPVNZOAERF-UHFFFAOYSA-N 0 0 402.519 5.682 50 0 HKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000002759501 557758262 /nfs/dbraw/zinc/75/82/62/557758262.db2.gz NFEUYKLUFFMOMB-UHFFFAOYSA-N 0 0 424.544 6.850 50 0 HKAARN Brc1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1 ZINC000002759568 568806873 /nfs/dbraw/zinc/80/68/73/568806873.db2.gz UOFPUOZLFREKIZ-UHFFFAOYSA-N 0 0 404.314 5.401 50 0 HKAARN CCc1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 ZINC000002759682 557758179 /nfs/dbraw/zinc/75/81/79/557758179.db2.gz RXADKSGANDINKO-UHFFFAOYSA-N 0 0 408.545 6.915 50 0 HKAARN NC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCCCCCCCCC2 ZINC000002759762 557381110 /nfs/dbraw/zinc/38/11/10/557381110.db2.gz FUFWJHKSYGYSHC-UHFFFAOYSA-N 0 0 420.525 5.597 50 0 HKAARN COc1cccc(OCc2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000002759767 557380970 /nfs/dbraw/zinc/38/09/70/557380970.db2.gz JWDNNGKBNJYTGB-UHFFFAOYSA-N 0 0 412.283 5.289 50 0 HKAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3ccccc3n2)c1 ZINC000002759787 557758176 /nfs/dbraw/zinc/75/81/76/557758176.db2.gz YHLOSSUIAPHVKI-UHFFFAOYSA-N 0 0 419.506 5.245 50 0 HKAARN CC(C)c1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 ZINC000002759922 557758195 /nfs/dbraw/zinc/75/81/95/557758195.db2.gz XCVDKAZWTRXSLZ-UHFFFAOYSA-N 0 0 423.354 6.024 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)s1 ZINC000002760018 557758420 /nfs/dbraw/zinc/75/84/20/557758420.db2.gz HWUUYQXEOOHSBX-UHFFFAOYSA-N 0 0 404.969 6.554 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000002760084 568932019 /nfs/dbraw/zinc/93/20/19/568932019.db2.gz NGTTWOYSZXITEH-UHFFFAOYSA-N 0 0 403.409 6.042 50 0 HKAARN CCOC(=O)c1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1C ZINC000002760161 557758411 /nfs/dbraw/zinc/75/84/11/557758411.db2.gz CFDWLJBDPSHDGN-GOSISDBHSA-N 0 0 412.536 5.100 50 0 HKAARN CCOC(=O)c1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1C ZINC000002760162 557758406 /nfs/dbraw/zinc/75/84/06/557758406.db2.gz CFDWLJBDPSHDGN-SFHVURJKSA-N 0 0 412.536 5.100 50 0 HKAARN CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1ccccc1C ZINC000002760287 557381059 /nfs/dbraw/zinc/38/10/59/557381059.db2.gz 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557755423 /nfs/dbraw/zinc/75/54/23/557755423.db2.gz MKAJBCORMJYYTQ-UHFFFAOYSA-N 0 0 406.873 5.109 50 0 HKAARN CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)/C=C/c1ccco1 ZINC000002760896 557755474 /nfs/dbraw/zinc/75/54/74/557755474.db2.gz PIFYMKLOBXSPFC-VAWYXSNFSA-N 0 0 417.486 5.990 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002760934 568807304 /nfs/dbraw/zinc/80/73/04/568807304.db2.gz QXQUXVGVIXCBTI-UHFFFAOYSA-N 0 0 401.384 5.618 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1-c1ccc(F)cc1 ZINC000002760937 557755367 /nfs/dbraw/zinc/75/53/67/557755367.db2.gz HSANTSBASZKFRK-UHFFFAOYSA-N 0 0 401.459 5.583 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)CSc3ccccc3)c2C(=O)OC)cc1 ZINC000002760994 557381367 /nfs/dbraw/zinc/38/13/67/557381367.db2.gz IAJKRHPUAVISGL-UHFFFAOYSA-N 0 0 411.548 5.495 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002761016 557755389 /nfs/dbraw/zinc/75/53/89/557755389.db2.gz UGMBYRPIHJWYHF-MDZDMXLPSA-N 0 0 401.871 5.408 50 0 HKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 ZINC000002761059 557755467 /nfs/dbraw/zinc/75/54/67/557755467.db2.gz VTSGVOGLYIBVBM-OAHLLOKOSA-N 0 0 423.538 5.536 50 0 HKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 ZINC000002761060 557755400 /nfs/dbraw/zinc/75/54/00/557755400.db2.gz VTSGVOGLYIBVBM-HNNXBMFYSA-N 0 0 423.538 5.536 50 0 HKAARN Cc1cc(C)n(-c2cc(Nc3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)n1 ZINC000002761129 557755470 /nfs/dbraw/zinc/75/54/70/557755470.db2.gz ZLWACUBNIKTSPM-UHFFFAOYSA-N 0 0 417.516 6.357 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000002761233 557755377 /nfs/dbraw/zinc/75/53/77/557755377.db2.gz XYQPCURRAGUUCT-UHFFFAOYSA-N 0 0 410.514 5.511 50 0 HKAARN O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000002761267 557755371 /nfs/dbraw/zinc/75/53/71/557755371.db2.gz OKVXBODSPPWGTD-UHFFFAOYSA-N 0 0 417.690 5.329 50 0 HKAARN CCOc1ccccc1-c1cc(C(=O)Nc2cccnc2Cl)c2ccccc2n1 ZINC000002761281 557755429 /nfs/dbraw/zinc/75/54/29/557755429.db2.gz RPLDLLHOQGODIB-UHFFFAOYSA-N 0 0 403.869 5.601 50 0 HKAARN CCOc1ccc2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2c1 ZINC000002761327 568807359 /nfs/dbraw/zinc/80/73/59/568807359.db2.gz GNONJTMRLSBZNY-UHFFFAOYSA-N 0 0 406.891 5.955 50 0 HKAARN COc1ccc(-c2c(C)sc(NC(=O)C3CCCC3)c2C(=O)OC(C)C)cc1 ZINC000002761356 557755420 /nfs/dbraw/zinc/75/54/20/557755420.db2.gz VUYFCQCMAHXXFG-UHFFFAOYSA-N 0 0 401.528 5.426 50 0 HKAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 ZINC000002761382 557755441 /nfs/dbraw/zinc/75/54/41/557755441.db2.gz CQLMXYUEXKSCGC-UHFFFAOYSA-N 0 0 413.857 5.330 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002761423 557755445 /nfs/dbraw/zinc/75/54/45/557755445.db2.gz WKUDUCBTMFRAIA-UHFFFAOYSA-N 0 0 420.900 5.417 50 0 HKAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c1 ZINC000002761450 557755404 /nfs/dbraw/zinc/75/54/04/557755404.db2.gz ZMDUVHXKSGFXSJ-UHFFFAOYSA-N 0 0 424.500 5.866 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@@H](c1ccccc1)CC2 ZINC000002761565 557755590 /nfs/dbraw/zinc/75/55/90/557755590.db2.gz PDRSHNSWPIRNEH-KRWDZBQOSA-N 0 0 405.519 5.368 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@H](c1ccccc1)CC2 ZINC000002761566 557755578 /nfs/dbraw/zinc/75/55/78/557755578.db2.gz PDRSHNSWPIRNEH-QGZVFWFLSA-N 0 0 405.519 5.368 50 0 HKAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002761757 557755559 /nfs/dbraw/zinc/75/55/59/557755559.db2.gz OEJVZHPWYSQUMN-UHFFFAOYSA-N 0 0 410.278 5.744 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](CC)C2 ZINC000002761760 557755566 /nfs/dbraw/zinc/75/55/66/557755566.db2.gz PKXWORSFSWWRFG-ZDUSSCGKSA-N 0 0 405.947 5.736 50 0 HKAARN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](CC)C2 ZINC000002761761 557755532 /nfs/dbraw/zinc/75/55/32/557755532.db2.gz PKXWORSFSWWRFG-CYBMUJFWSA-N 0 0 405.947 5.736 50 0 HKAARN Cc1sc(NC(=O)c2cnccn2)c(C(=O)OC(C)C)c1-c1ccc(C(C)C)cc1 ZINC000002761805 557755553 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Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000002762290 557381341 /nfs/dbraw/zinc/38/13/41/557381341.db2.gz WDCKAHAVBBTAQC-UHFFFAOYSA-N 0 0 407.510 5.188 50 0 HKAARN Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccccc3Br)o2)c1 ZINC000002762361 568807280 /nfs/dbraw/zinc/80/72/80/568807280.db2.gz VVKCSHGBVBGPTF-UHFFFAOYSA-N 0 0 400.272 5.490 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CCCCCCC1 ZINC000002762408 557755571 /nfs/dbraw/zinc/75/55/71/557755571.db2.gz RIFLTMKFOWNXKX-UHFFFAOYSA-N 0 0 406.957 6.706 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000002762456 557755597 /nfs/dbraw/zinc/75/55/97/557755597.db2.gz ZCARTSYIWKPMKX-UHFFFAOYSA-N 0 0 415.921 5.353 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn(Cc2ccc(C)cc2)n1 ZINC000002762491 557755526 /nfs/dbraw/zinc/75/55/26/557755526.db2.gz QRRASSCLFCZNNO-UHFFFAOYSA-N 0 0 406.873 5.109 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CCc2ccccc2C1 ZINC000002762507 557755587 /nfs/dbraw/zinc/75/55/87/557755587.db2.gz 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Cc1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5)cc4)nc3c2c1C ZINC000002808686 557767483 /nfs/dbraw/zinc/76/74/83/557767483.db2.gz CKHSQKXHWKRVHT-UHFFFAOYSA-N 0 0 404.470 5.341 50 0 HKAARN COc1ccccc1OCc1cccc(-c2nc3c4c(C)c(C)sc4ncn3n2)c1 ZINC000002808753 568811895 /nfs/dbraw/zinc/81/18/95/568811895.db2.gz HZCVRZKSZHDPRP-UHFFFAOYSA-N 0 0 416.506 5.210 50 0 HKAARN CCc1sc(-c2nc3c4c(CC)c(C)sc4ncn3n2)cc1Br ZINC000002808801 557767429 /nfs/dbraw/zinc/76/74/29/557767429.db2.gz IMJYXTVTLDZUCQ-UHFFFAOYSA-N 0 0 407.362 5.263 50 0 HKAARN Cc1cccc(NC(=O)CSc2nccc(-c3cccc(OC(F)F)c3)n2)c1C ZINC000002808812 557767438 /nfs/dbraw/zinc/76/74/38/557767438.db2.gz AHUGSCJAAFEFHU-UHFFFAOYSA-N 0 0 415.465 5.093 50 0 HKAARN CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccccc5Cl)o4)nc3c12 ZINC000002808876 568811989 /nfs/dbraw/zinc/81/19/89/568811989.db2.gz RPVCSIDSKLALHG-UHFFFAOYSA-N 0 0 424.913 5.702 50 0 HKAARN CCc1c(C)sc2ncn3nc(-c4ccc(COc5cc(C)ccc5C)o4)nc3c12 ZINC000002808950 557767498 /nfs/dbraw/zinc/76/74/98/557767498.db2.gz MQEKYEXKAAMQIN-UHFFFAOYSA-N 0 0 418.522 5.666 50 0 HKAARN CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(Cl)cc5)o4)nc3c12 ZINC000002808966 568811982 /nfs/dbraw/zinc/81/19/82/568811982.db2.gz IYRVAEQRWPCSDL-UHFFFAOYSA-N 0 0 424.913 5.702 50 0 HKAARN COc1ccccc1NC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000002809404 557767494 /nfs/dbraw/zinc/76/74/94/557767494.db2.gz RNJDIBOSDYCKLY-UHFFFAOYSA-N 0 0 420.321 5.190 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000002809514 557767446 /nfs/dbraw/zinc/76/74/46/557767446.db2.gz RADXIUZVHIRAEK-UHFFFAOYSA-N 0 0 404.322 5.490 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccc(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000002809591 557767679 /nfs/dbraw/zinc/76/76/79/557767679.db2.gz ORPAKMUQFNGRQW-UHFFFAOYSA-N 0 0 404.322 5.490 50 0 HKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000002810173 557393691 /nfs/dbraw/zinc/39/36/91/557393691.db2.gz GPKLPSNUHWGDPV-KRWDZBQOSA-N 0 0 414.236 5.532 50 0 HKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000002810174 557393687 /nfs/dbraw/zinc/39/36/87/557393687.db2.gz GPKLPSNUHWGDPV-QGZVFWFLSA-N 0 0 414.236 5.532 50 0 HKAARN COc1c(Cl)cc(Cl)cc1[C@@H](Nc1ccccc1)P1(=O)OCCCO1 ZINC000002810201 557393698 /nfs/dbraw/zinc/39/36/98/557393698.db2.gz GYFFOINDOMKWHN-KRWDZBQOSA-N 0 0 402.214 5.743 50 0 HKAARN COc1c(Cl)cc(Cl)cc1[C@H](Nc1ccccc1)P1(=O)OCCCO1 ZINC000002810202 557393732 /nfs/dbraw/zinc/39/37/32/557393732.db2.gz GYFFOINDOMKWHN-QGZVFWFLSA-N 0 0 402.214 5.743 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002810416 557393719 /nfs/dbraw/zinc/39/37/19/557393719.db2.gz FNNVYVBJVDAMFX-UHFFFAOYSA-N 0 0 419.388 5.490 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002810465 557393784 /nfs/dbraw/zinc/39/37/84/557393784.db2.gz VVFIVYCBLSSVEK-UHFFFAOYSA-N 0 0 400.853 5.609 50 0 HKAARN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000002810558 557393684 /nfs/dbraw/zinc/39/36/84/557393684.db2.gz YCFZNHLQPVICEU-UHFFFAOYSA-N 0 0 415.518 5.745 50 0 HKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2ccccc21 ZINC000002810630 557393742 /nfs/dbraw/zinc/39/37/42/557393742.db2.gz VUVGDNIBBAAPHN-UHFFFAOYSA-N 0 0 409.725 5.927 50 0 HKAARN S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CCCCC1 ZINC000002810656 558776495 /nfs/dbraw/zinc/77/64/95/558776495.db2.gz PWAYZNUMRILNSZ-UHFFFAOYSA-N 0 0 418.522 5.769 50 0 HKAARN O=C(NCc1ccco1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002810741 557393789 /nfs/dbraw/zinc/39/37/89/557393789.db2.gz NKRWCSTVPWNGMB-UHFFFAOYSA-N 0 0 417.515 5.610 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCCC2)CC[C@H](C)C3)c1 ZINC000002810982 568812140 /nfs/dbraw/zinc/81/21/40/568812140.db2.gz DNAGBMUFUGVJGO-KRWDZBQOSA-N 0 0 410.583 5.450 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCCC2)CC[C@@H](C)C3)c1 ZINC000002810983 568812224 /nfs/dbraw/zinc/81/22/24/568812224.db2.gz DNAGBMUFUGVJGO-QGZVFWFLSA-N 0 0 410.583 5.450 50 0 HKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(Br)ccc1Cl ZINC000002811051 557393934 /nfs/dbraw/zinc/39/39/34/557393934.db2.gz JDUVJHDPCZJVNR-UHFFFAOYSA-N 0 0 401.691 5.341 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CCCC3)c1 ZINC000002811067 557393932 /nfs/dbraw/zinc/39/39/32/557393932.db2.gz VTWLJWZNKPGBMF-UHFFFAOYSA-N 0 0 424.953 6.093 50 0 HKAARN O=C(Nc1ccccc1Cl)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000002811090 557393980 /nfs/dbraw/zinc/39/39/80/557393980.db2.gz DYNPPSJPJUJUDZ-UHFFFAOYSA-N 0 0 414.889 5.534 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc2ccccc2o1 ZINC000002811302 557393885 /nfs/dbraw/zinc/39/38/85/557393885.db2.gz UBVUITPNPAYGBN-UHFFFAOYSA-N 0 0 423.255 6.800 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 ZINC000002811349 560732360 /nfs/dbraw/zinc/73/23/60/560732360.db2.gz GQTDQKXPMBOFPZ-UHFFFAOYSA-N 0 0 421.294 6.072 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CCCCC3)cc1 ZINC000002811373 557393999 /nfs/dbraw/zinc/39/39/99/557393999.db2.gz FQBYACQZRXKXHC-UHFFFAOYSA-N 0 0 405.523 5.225 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCCC2)CCCCC3)cc1 ZINC000002811386 557393987 /nfs/dbraw/zinc/39/39/87/557393987.db2.gz CPMLSNQOAQJXIW-UHFFFAOYSA-N 0 0 410.583 5.594 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 ZINC000002811424 557393905 /nfs/dbraw/zinc/39/39/05/557393905.db2.gz NKQDGAXJKMZBLJ-UHFFFAOYSA-N 0 0 404.535 5.118 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000002811471 557766592 /nfs/dbraw/zinc/76/65/92/557766592.db2.gz SKKMHYCSWQMPQF-UHFFFAOYSA-N 0 0 424.525 6.686 50 0 HKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CCC3)c1 ZINC000002811509 568812229 /nfs/dbraw/zinc/81/22/29/568812229.db2.gz CEFRGPLQCFWMSS-UHFFFAOYSA-N 0 0 410.926 5.703 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000002811525 557393953 /nfs/dbraw/zinc/39/39/53/557393953.db2.gz DMQYJXUHYDRDHG-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN Cc1ccc(C)c(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c1 ZINC000002811566 557393958 /nfs/dbraw/zinc/39/39/58/557393958.db2.gz HISNWDUXTRMOAF-UHFFFAOYSA-N 0 0 404.311 6.420 50 0 aggregator HKAARN Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000002811653 557393942 /nfs/dbraw/zinc/39/39/42/557393942.db2.gz JMTIOMFEYHFMRG-UHFFFAOYSA-N 0 0 403.183 6.006 50 0 HKAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc4ccccc4c3)c12 ZINC000002811715 569060572 /nfs/dbraw/zinc/06/05/72/569060572.db2.gz SJFVVQIYLUOAMG-UHFFFAOYSA-N 0 0 400.474 5.859 50 0 biogenic HKAARN Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O ZINC000002811750 557394009 /nfs/dbraw/zinc/39/40/09/557394009.db2.gz XVAKMHKLZWUGRB-UHFFFAOYSA-N 0 0 418.876 5.992 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4ccc5ccccc5c4)ccc32)cc1 ZINC000002811866 557394255 /nfs/dbraw/zinc/39/42/55/557394255.db2.gz HOBBEWKDZJYYOZ-UHFFFAOYSA-N 0 0 408.453 6.201 50 0 biogenic HKAARN O=C(COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000002811901 557394216 /nfs/dbraw/zinc/39/42/16/557394216.db2.gz IVVAQIYVGXGYLQ-UHFFFAOYSA-N 0 0 424.374 5.741 50 0 HKAARN O=C(Nc1cccc2ncccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002811959 557394242 /nfs/dbraw/zinc/39/42/42/557394242.db2.gz CXMPYIHDEQWDTM-UHFFFAOYSA-N 0 0 409.876 6.356 50 0 HKAARN CC[C@@H](SCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002812205 557394174 /nfs/dbraw/zinc/39/41/74/557394174.db2.gz BRAVVWKPBZDJFC-JOCHJYFZSA-N 0 0 420.534 5.131 50 0 HKAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000002812229 557394310 /nfs/dbraw/zinc/39/43/10/557394310.db2.gz ANBPMLRENYKIHY-UHFFFAOYSA-N 0 0 419.590 6.220 50 0 HKAARN O=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(F)c(F)cc1Cl ZINC000002812250 557394197 /nfs/dbraw/zinc/39/41/97/557394197.db2.gz OXPHKXWPCPKPIA-UHFFFAOYSA-N 0 0 416.638 6.115 50 0 HKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C)c1 ZINC000002812272 557394267 /nfs/dbraw/zinc/39/42/67/557394267.db2.gz QHPOIHTVFCWLSR-UHFFFAOYSA-N 0 0 421.360 5.063 50 0 HKAARN CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1 ZINC000002812285 557394289 /nfs/dbraw/zinc/39/42/89/557394289.db2.gz KRJGFSYZMVBTTC-UHFFFAOYSA-N 0 0 409.526 5.489 50 0 HKAARN Cc1ccc(OCCSc2ccccc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000002812516 557394277 /nfs/dbraw/zinc/39/42/77/557394277.db2.gz HXLVGUKDHAKWBQ-OQKWZONESA-N 0 0 415.514 5.511 50 0 HKAARN COc1ccc(OCc2ccccc2Cl)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000002812580 557766589 /nfs/dbraw/zinc/76/65/89/557766589.db2.gz FSJNMPZBQQLFJL-KGENOOAVSA-N 0 0 419.864 5.272 50 0 HKAARN CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)C(=O)c1ccccc1 ZINC000002812696 557394501 /nfs/dbraw/zinc/39/45/01/557394501.db2.gz SWYCBPZXVDVLAY-OAQYLSRUSA-N 0 0 421.880 5.411 50 0 HKAARN COc1cccc(NC(=O)[C@H]2CC2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000002813026 557394425 /nfs/dbraw/zinc/39/44/25/557394425.db2.gz BCMPPQLOGYNXBY-OAQYLSRUSA-N 0 0 412.316 5.947 50 0 HKAARN COc1cccc(NC(=O)[C@@H]2CC2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000002813027 557394385 /nfs/dbraw/zinc/39/43/85/557394385.db2.gz BCMPPQLOGYNXBY-NRFANRHFSA-N 0 0 412.316 5.947 50 0 HKAARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000002813221 557394409 /nfs/dbraw/zinc/39/44/09/557394409.db2.gz AJPJGTSLPUABSF-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 ZINC000002813238 557394668 /nfs/dbraw/zinc/39/46/68/557394668.db2.gz OXXHSRIFRQTWCT-NFBKMPQASA-N 0 0 422.311 5.489 50 0 HKAARN C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 ZINC000002813239 557394719 /nfs/dbraw/zinc/39/47/19/557394719.db2.gz OXXHSRIFRQTWCT-REWPJTCUSA-N 0 0 422.311 5.489 50 0 HKAARN COc1ccc(/C=C(/C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000002813448 557394750 /nfs/dbraw/zinc/39/47/50/557394750.db2.gz VDSRPCZMWWRULI-FYJGNVAPSA-N 0 0 412.316 5.859 50 0 HKAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000002813469 557394795 /nfs/dbraw/zinc/39/47/95/557394795.db2.gz OLZSJWNJOHBXBR-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN C[C@H](OC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)c1cccc(Cl)c1 ZINC000002813882 557394724 /nfs/dbraw/zinc/39/47/24/557394724.db2.gz YFKINUYUIVKWAE-HNNXBMFYSA-N 0 0 407.853 5.021 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002814273 560587646 /nfs/dbraw/zinc/58/76/46/560587646.db2.gz NSBMSTDGPGEQLK-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc2ccccc21 ZINC000002814311 132258144 /nfs/dbraw/zinc/25/81/44/132258144.db2.gz UORBDLCSLVKBEB-UHFFFAOYSA-N 0 0 423.969 5.610 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002814499 557394732 /nfs/dbraw/zinc/39/47/32/557394732.db2.gz DOHNFMZNTXTISG-UHFFFAOYSA-N 0 0 421.324 5.073 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1Oc1ccccc1 ZINC000002814556 557394918 /nfs/dbraw/zinc/39/49/18/557394918.db2.gz HICTXBPLMMALGW-UHFFFAOYSA-N 0 0 421.909 5.827 50 0 HKAARN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Br)cc1 ZINC000002815059 557394957 /nfs/dbraw/zinc/39/49/57/557394957.db2.gz TXQHECVIQZQKAX-UHFFFAOYSA-N 0 0 419.171 5.419 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)NCCSCc1c(F)cccc1Cl ZINC000002815118 557394919 /nfs/dbraw/zinc/39/49/19/557394919.db2.gz XRKKBEXBLOWAKW-UHFFFAOYSA-N 0 0 422.736 5.214 50 0 HKAARN Cc1ccccc1CSCC(=O)NCCSCc1c(Cl)cccc1Cl ZINC000002815382 557394968 /nfs/dbraw/zinc/39/49/68/557394968.db2.gz NLUOJXSGBGAWFQ-UHFFFAOYSA-N 0 0 414.423 5.585 50 0 HKAARN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002816181 557395229 /nfs/dbraw/zinc/39/52/29/557395229.db2.gz VCCOIOONHMKFKS-QDBPJBAASA-N 0 0 423.512 5.046 50 0 HKAARN CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 ZINC000002816182 557395166 /nfs/dbraw/zinc/39/51/66/557395166.db2.gz VCCOIOONHMKFKS-IOXNAGQWSA-N 0 0 423.512 5.046 50 0 HKAARN CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002816183 557395206 /nfs/dbraw/zinc/39/52/06/557395206.db2.gz VCCOIOONHMKFKS-MSVKLTOBSA-N 0 0 423.512 5.046 50 0 HKAARN CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000002816184 557395201 /nfs/dbraw/zinc/39/52/01/557395201.db2.gz VCCOIOONHMKFKS-GMMLXXJASA-N 0 0 423.512 5.046 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl ZINC000002816798 557395177 /nfs/dbraw/zinc/39/51/77/557395177.db2.gz ZAFLZYGVFPPRDP-UHFFFAOYSA-N 0 0 404.359 5.274 50 0 HKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1C ZINC000002816921 557395216 /nfs/dbraw/zinc/39/52/16/557395216.db2.gz BUDRDGXYOINMSN-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN Cc1c(/C=C2/N=C(c3ccccc3)OC2=O)c2cc(C)ccc2n1Cc1ccccc1 ZINC000002817159 557395281 /nfs/dbraw/zinc/39/52/81/557395281.db2.gz VKHDMMNNZHKIMK-LFVJCYFKSA-N 0 0 406.485 5.651 50 0 HKAARN C[C@H](Sc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000002817336 557395491 /nfs/dbraw/zinc/39/54/91/557395491.db2.gz NLLPRZLXEDYYAK-ZDUSSCGKSA-N 0 0 400.396 5.524 50 0 HKAARN C[C@@H](Sc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000002817337 557395464 /nfs/dbraw/zinc/39/54/64/557395464.db2.gz NLLPRZLXEDYYAK-CYBMUJFWSA-N 0 0 400.396 5.524 50 0 HKAARN CCCc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000002817346 557395535 /nfs/dbraw/zinc/39/55/35/557395535.db2.gz SZZBQFBCSMEMRK-UHFFFAOYSA-N 0 0 402.108 5.952 50 0 HKAARN Cc1ccccc1CSCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000002817610 557395467 /nfs/dbraw/zinc/39/54/67/557395467.db2.gz NVQDSCCHFUYFRB-UHFFFAOYSA-N 0 0 407.604 5.951 50 0 HKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc21 ZINC000002817829 557395541 /nfs/dbraw/zinc/39/55/41/557395541.db2.gz HJEFRIGDNNLJDF-UHFFFAOYSA-N 0 0 408.832 5.639 50 0 HKAARN Cc1cccc(CSCCNC(=O)CSC2c3ccccc3-c3ccccc32)c1 ZINC000002818542 557395511 /nfs/dbraw/zinc/39/55/11/557395511.db2.gz LNURFGISJMEMHE-UHFFFAOYSA-N 0 0 419.615 5.848 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1OC ZINC000002818548 557395519 /nfs/dbraw/zinc/39/55/19/557395519.db2.gz PHSAGASTGINTDT-UHFFFAOYSA-N 0 0 412.530 5.273 50 0 HKAARN COc1cccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)c1 ZINC000002819039 569278040 /nfs/dbraw/zinc/27/80/40/569278040.db2.gz LITVZPFJTQHZBO-KGENOOAVSA-N 0 0 419.864 5.272 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC ZINC000002819088 557395761 /nfs/dbraw/zinc/39/57/61/557395761.db2.gz MASOFIVJQDMCRK-UHFFFAOYSA-N 0 0 406.935 5.208 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000002819298 557395813 /nfs/dbraw/zinc/39/58/13/557395813.db2.gz FSSOVMDBOAWKCH-UHFFFAOYSA-N 0 0 408.523 6.288 50 0 HKAARN CC[C@H](C(=O)N1c2ccccc2-c2c(=S)ssc2C1(C)C)c1ccccc1 ZINC000002819318 132258175 /nfs/dbraw/zinc/25/81/75/132258175.db2.gz NZCSTEPCKBUKCH-HNNXBMFYSA-N 0 0 411.617 6.982 50 0 HKAARN CC[C@@H](C(=O)N1c2ccccc2-c2c(=S)ssc2C1(C)C)c1ccccc1 ZINC000002819319 132258187 /nfs/dbraw/zinc/25/81/87/132258187.db2.gz NZCSTEPCKBUKCH-OAHLLOKOSA-N 0 0 411.617 6.982 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000002819326 557395787 /nfs/dbraw/zinc/39/57/87/557395787.db2.gz PTKOFGSIPBYUDA-UHFFFAOYSA-N 0 0 402.494 5.743 50 0 HKAARN Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000002819492 557395728 /nfs/dbraw/zinc/39/57/28/557395728.db2.gz DKHOLLWRNAGYPK-KGENOOAVSA-N 0 0 417.848 5.212 50 0 HKAARN CC(C)(c1ccc(Oc2cccc(N)c2)cc1)c1ccc(Oc2cccc(N)c2)cc1 ZINC000002819990 568812205 /nfs/dbraw/zinc/81/22/05/568812205.db2.gz NYRFBMFAUFUULG-UHFFFAOYSA-N 0 0 410.517 6.762 50 0 HKAARN Nc1ccc(Sc2ccc(N)c(C(=O)c3ccccc3)c2)cc1C(=O)c1ccccc1 ZINC000002820001 557395739 /nfs/dbraw/zinc/39/57/39/557395739.db2.gz IADBMCZSUQBOFN-UHFFFAOYSA-N 0 0 424.525 5.464 50 0 HKAARN Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000002820245 557396086 /nfs/dbraw/zinc/39/60/86/557396086.db2.gz ORMLVIXWQVYXBW-RMKNXTFCSA-N 0 0 403.334 6.001 50 0 HKAARN CCCc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000002820371 557396004 /nfs/dbraw/zinc/39/60/04/557396004.db2.gz ZNUOCNJBSYCANX-UHFFFAOYSA-N 0 0 401.215 5.664 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC ZINC000002821284 569278050 /nfs/dbraw/zinc/27/80/50/569278050.db2.gz UNUNUEMCQXMRHX-YRNVUSSQSA-N 0 0 421.324 5.783 50 0 HKAARN O=C(Oc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1)c1ccccc1F ZINC000002821686 557396352 /nfs/dbraw/zinc/39/63/52/557396352.db2.gz BACIQCRKFMHWMM-DEDYPNTBSA-N 0 0 421.811 5.043 50 0 HKAARN Cc1[nH]c2ccc(-c3nnc(SCc4ccccc4)n3-c3ccccc3)cc2c1C ZINC000002821727 557396315 /nfs/dbraw/zinc/39/63/15/557396315.db2.gz DZAOCVYOBMUNKU-UHFFFAOYSA-N 0 0 410.546 6.325 50 0 HKAARN Cc1cccc(OCCCOc2ccc(/C=C3/N=C(c4ccco4)OC3=O)cc2)c1C ZINC000002821789 569278036 /nfs/dbraw/zinc/27/80/36/569278036.db2.gz RLQCTDYXXBPWMG-LTGZKZEYSA-N 0 0 417.461 5.089 50 0 HKAARN CCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3)cs2)c1 ZINC000002821821 557396358 /nfs/dbraw/zinc/39/63/58/557396358.db2.gz CMVVGZAEKKTLKA-UHFFFAOYSA-N 0 0 411.552 5.034 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1OCCOc1ccccc1 ZINC000002821830 569278053 /nfs/dbraw/zinc/27/80/53/569278053.db2.gz YRSMABXUNHTSHS-LTGZKZEYSA-N 0 0 419.864 5.142 50 0 HKAARN CCOC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000002822013 557396271 /nfs/dbraw/zinc/39/62/71/557396271.db2.gz RWRQTGPIMFIWAK-UHFFFAOYSA-N 0 0 421.946 5.253 50 0 HKAARN Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2Cl)c1 ZINC000002822030 568812407 /nfs/dbraw/zinc/81/24/07/568812407.db2.gz SJPOIPIOTYNCPC-XSFVSMFZSA-N 0 0 417.848 5.212 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3cc(C)ccc3OCCOc3ccccc3)C(=O)O2)cc1 ZINC000002822063 568812494 /nfs/dbraw/zinc/81/24/94/568812494.db2.gz RWHYDNPLZJUJND-HAVVHWLPSA-N 0 0 413.473 5.106 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=O)O2)cc1 ZINC000002822097 569278033 /nfs/dbraw/zinc/27/80/33/569278033.db2.gz KHBHCVYLUHDSBE-HKOYGPOVSA-N 0 0 413.473 5.187 50 0 HKAARN Cc1ccc(OCCOc2cccc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)c2)cc1 ZINC000002822132 568812460 /nfs/dbraw/zinc/81/24/60/568812460.db2.gz KENUQKPNSDANFU-JJIBRWJFSA-N 0 0 413.473 5.106 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)O2)cc1 ZINC000002822161 569278065 /nfs/dbraw/zinc/27/80/65/569278065.db2.gz OVMPIZRDLQXMQN-HAVVHWLPSA-N 0 0 413.473 5.106 50 0 HKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000002822200 569278028 /nfs/dbraw/zinc/27/80/28/569278028.db2.gz CMUKTBFTRMQJFI-LUJYGJGBSA-N 0 0 413.473 5.488 50 0 HKAARN COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000002822202 569278055 /nfs/dbraw/zinc/27/80/55/569278055.db2.gz CMUKTBFTRMQJFI-GNFOSXPUSA-N 0 0 413.473 5.488 50 0 HKAARN Cc1ccc(OCc2ccccc2C)c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c1 ZINC000002822854 569278067 /nfs/dbraw/zinc/27/80/67/569278067.db2.gz HFZOFGNDDCZEBT-HYARGMPZSA-N 0 0 401.437 5.366 50 0 HKAARN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002823150 569278047 /nfs/dbraw/zinc/27/80/47/569278047.db2.gz YZZQNDQOETXNOF-LICLKQGHSA-N 0 0 402.208 5.737 50 0 HKAARN Cc1ccc(OCCOc2ccccc2C)c(/C=C2/N=C(c3cccs3)OC2=O)c1 ZINC000002823517 569278062 /nfs/dbraw/zinc/27/80/62/569278062.db2.gz KBDRTNDLYODEGS-XDJHFCHBSA-N 0 0 419.502 5.167 50 0 HKAARN Brc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000002823576 557396706 /nfs/dbraw/zinc/39/67/06/557396706.db2.gz IFMVIWPGUQDDAM-UHFFFAOYSA-N 0 0 405.295 5.874 50 0 HKAARN Cc1ccccc1COc1ccc(Cl)cc1/C=C1/N=C(c2cccs2)OC1=O ZINC000002823825 569278072 /nfs/dbraw/zinc/27/80/72/569278072.db2.gz BUAZXYVNKMIDNN-LDADJPATSA-N 0 0 409.894 5.633 50 0 HKAARN COc1ccc(OCc2ccccc2)c(/C=C2/N=C(c3ccccc3Cl)OC2=O)c1 ZINC000002823849 568812530 /nfs/dbraw/zinc/81/25/30/568812530.db2.gz ISRCSBZSHXUZAE-KGENOOAVSA-N 0 0 419.864 5.272 50 0 HKAARN O=C1OC(c2cccs2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000002824041 569278038 /nfs/dbraw/zinc/27/80/38/569278038.db2.gz TZCRAKGXSQKKNF-PXLXIMEGSA-N 0 0 411.482 5.825 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1OCCSc1ccccc1 ZINC000002824060 568812463 /nfs/dbraw/zinc/81/24/63/568812463.db2.gz JAEDWRPKTAKHTR-LTGZKZEYSA-N 0 0 419.477 5.341 50 0 HKAARN CCCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccc(Br)cc1-2 ZINC000002824075 557396697 /nfs/dbraw/zinc/39/66/97/557396697.db2.gz JIPZNVQBJNJIIG-UHFFFAOYSA-N 0 0 421.364 5.268 50 0 biogenic HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)sc2c1 ZINC000002824097 557396726 /nfs/dbraw/zinc/39/67/26/557396726.db2.gz UXMNGUFMJNGLNR-OAHLLOKOSA-N 0 0 406.482 5.817 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)sc2c1 ZINC000002824098 557396675 /nfs/dbraw/zinc/39/66/75/557396675.db2.gz UXMNGUFMJNGLNR-HNNXBMFYSA-N 0 0 406.482 5.817 50 0 HKAARN O=C(c1cccc(I)c1)N(C1CCCCC1)C1CCCCC1 ZINC000002824149 569278025 /nfs/dbraw/zinc/27/80/25/569278025.db2.gz SMQQIESQDNDNNH-UHFFFAOYSA-N 0 0 411.327 5.399 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000002824298 557766862 /nfs/dbraw/zinc/76/68/62/557766862.db2.gz OCUQLQJBENUXHZ-UHFFFAOYSA-N 0 0 404.466 5.093 50 0 HKAARN Cc1ccc(SCc2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000002824404 557396895 /nfs/dbraw/zinc/39/68/95/557396895.db2.gz INQGMHJPVLHFAG-UHFFFAOYSA-N 0 0 412.584 6.080 50 0 HKAARN Cc1ccc(OCCSc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000002824408 557396839 /nfs/dbraw/zinc/39/68/39/557396839.db2.gz OJMKLLNQKZOHBW-UHFFFAOYSA-N 0 0 420.947 5.315 50 0 HKAARN Cc1ccc(OCCSc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000002824493 557396823 /nfs/dbraw/zinc/39/68/23/557396823.db2.gz KTHHCMJVAOWJRQ-UHFFFAOYSA-N 0 0 420.947 5.315 50 0 HKAARN CC(C)N(C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C ZINC000002824625 557396906 /nfs/dbraw/zinc/39/69/06/557396906.db2.gz QPCOWILFDTZRCC-UHFFFAOYSA-N 0 0 424.548 6.615 50 0 HKAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccc(Cl)cc2)c1)c1ccccc1Cl ZINC000002824653 568812395 /nfs/dbraw/zinc/81/23/95/568812395.db2.gz IWLBREZGLJYGOD-UHFFFAOYSA-N 0 0 417.269 6.048 50 0 HKAARN Cc1ccc2cccc(OCCCOc3ccc(Br)cc3Cl)c2n1 ZINC000002824809 569278031 /nfs/dbraw/zinc/27/80/31/569278031.db2.gz KMRMKMVXOSYXLH-UHFFFAOYSA-N 0 0 406.707 5.807 50 0 HKAARN C[C@H]1CCCN(C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1 ZINC000002825126 557396867 /nfs/dbraw/zinc/39/68/67/557396867.db2.gz MYUKWBYZOWSJLQ-ZETCQYMHSA-N 0 0 405.536 5.591 50 0 HKAARN C[C@@H]1CCCN(C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1 ZINC000002825127 557396903 /nfs/dbraw/zinc/39/69/03/557396903.db2.gz MYUKWBYZOWSJLQ-SSDOTTSWSA-N 0 0 405.536 5.591 50 0 HKAARN CCCSc1nnc2c(n1)O[C@H](c1cc(C)ccc1C)N(C(C)=O)c1ccccc1-2 ZINC000002825402 557396953 /nfs/dbraw/zinc/39/69/53/557396953.db2.gz NIJLZJUKGNSWOF-JOCHJYFZSA-N 0 0 420.538 5.102 50 0 HKAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)N(C(C)=O)c1ccccc1-2 ZINC000002825403 557396881 /nfs/dbraw/zinc/39/68/81/557396881.db2.gz NIJLZJUKGNSWOF-QFIPXVFZSA-N 0 0 420.538 5.102 50 0 HKAARN Cc1ccc(NC(=O)C(Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000002825572 557396937 /nfs/dbraw/zinc/39/69/37/557396937.db2.gz CNOCYZFQFRCVJM-UHFFFAOYSA-N 0 0 400.522 5.356 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCOc1ccc(C)cc1 ZINC000002825582 569278049 /nfs/dbraw/zinc/27/80/49/569278049.db2.gz HNYIYQMATWJYCT-UHFFFAOYSA-N 0 0 409.507 5.308 50 0 HKAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000002825601 557396886 /nfs/dbraw/zinc/39/68/86/557396886.db2.gz LXWRCTNGZYNZSF-UHFFFAOYSA-N 0 0 405.523 5.095 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1Cl ZINC000002825645 557396960 /nfs/dbraw/zinc/39/69/60/557396960.db2.gz MBSFHBMQBINVTR-UHFFFAOYSA-N 0 0 401.919 5.316 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1C ZINC000002825649 557396889 /nfs/dbraw/zinc/39/68/89/557396889.db2.gz GTMZDCHPFLLQOD-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000002825715 557396925 /nfs/dbraw/zinc/39/69/25/557396925.db2.gz PJMRRPXNNNUIGF-UHFFFAOYSA-N 0 0 401.919 5.316 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2-c2ccccc2)cc1 ZINC000002825804 557397181 /nfs/dbraw/zinc/39/71/81/557397181.db2.gz FWTPZJIKNHNHNZ-UHFFFAOYSA-N 0 0 400.503 6.046 50 0 HKAARN CCc1cc2c(cc1OCC(=O)Nc1ccc(F)cc1)oc(=O)cc2-c1ccccc1 ZINC000002825811 557397200 /nfs/dbraw/zinc/39/72/00/557397200.db2.gz LIBRGNIJZWMVIB-UHFFFAOYSA-N 0 0 417.436 5.179 50 0 HKAARN CCc1cc2c(cc1OCC(=O)OC)oc(C)c(Oc1ccc(C(C)C)cc1)c2=O ZINC000002826371 569278174 /nfs/dbraw/zinc/27/81/74/569278174.db2.gz NCMKXVKVHUPBNP-UHFFFAOYSA-N 0 0 410.466 5.131 50 0 HKAARN COc1cccc(NC(=O)c2c(NC(=O)CCc3ccccc3)sc3c2CCC3)c1 ZINC000002826408 569278175 /nfs/dbraw/zinc/27/81/75/569278175.db2.gz YYZWIYUXCRJERA-UHFFFAOYSA-N 0 0 420.534 5.069 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 ZINC000002826456 569278145 /nfs/dbraw/zinc/27/81/45/569278145.db2.gz WZZCUQFLPHXKES-ZDUSSCGKSA-N 0 0 408.523 5.587 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 ZINC000002826457 569278169 /nfs/dbraw/zinc/27/81/69/569278169.db2.gz WZZCUQFLPHXKES-CYBMUJFWSA-N 0 0 408.523 5.587 50 0 HKAARN CCCCc1cc(=O)oc2cc(OCC(=O)Nc3c(CC)cccc3CC)ccc12 ZINC000002826555 557397278 /nfs/dbraw/zinc/39/72/78/557397278.db2.gz KOSNAEJSBYCWNA-UHFFFAOYSA-N 0 0 407.510 5.278 50 0 HKAARN O=C(c1ccc(F)cc1)c1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000002826566 569278135 /nfs/dbraw/zinc/27/81/35/569278135.db2.gz DLJIAVBAJNDICY-UHFFFAOYSA-N 0 0 419.506 5.606 50 0 HKAARN COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2)C(=O)c2ccoc2)cc1 ZINC000002826899 557397208 /nfs/dbraw/zinc/39/72/08/557397208.db2.gz KKPUZWPGDJLPSY-DEOSSOPVSA-N 0 0 415.489 5.746 50 0 HKAARN COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2)C(=O)c2ccoc2)cc1 ZINC000002826900 557397213 /nfs/dbraw/zinc/39/72/13/557397213.db2.gz KKPUZWPGDJLPSY-XMMPIXPASA-N 0 0 415.489 5.746 50 0 HKAARN CCCCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000002827072 557397195 /nfs/dbraw/zinc/39/71/95/557397195.db2.gz NPQSDDOUBQUQCP-UHFFFAOYSA-N 0 0 409.711 5.484 50 0 HKAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c1 ZINC000002827090 557397407 /nfs/dbraw/zinc/39/74/07/557397407.db2.gz OEOUNVQSQMEUPV-NTCAYCPXSA-N 0 0 423.582 5.465 50 0 HKAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000002827867 557397376 /nfs/dbraw/zinc/39/73/76/557397376.db2.gz UNAOUTLVBSITJB-UHFFFAOYSA-N 0 0 419.319 5.229 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000002828070 557397362 /nfs/dbraw/zinc/39/73/62/557397362.db2.gz ZZUYFSFQTPFVJF-UHFFFAOYSA-N 0 0 400.935 5.724 50 0 HKAARN 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C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000002882315 557419944 /nfs/dbraw/zinc/41/99/44/557419944.db2.gz XYJUGZYFRVZXSW-MRVPVSSYSA-N 0 0 412.622 6.072 50 0 HKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C)cc4Cl)ccc3Cl)oc2c1 ZINC000002882334 557420032 /nfs/dbraw/zinc/42/00/32/557420032.db2.gz YQAOMXGMJNDOST-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000002882351 557420149 /nfs/dbraw/zinc/42/01/49/557420149.db2.gz UPDJTYXICZUQBQ-UHFFFAOYSA-N 0 0 412.276 5.798 50 0 HKAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1-2 ZINC000002882383 557420281 /nfs/dbraw/zinc/42/02/81/557420281.db2.gz ARMDDRDHUMZOBP-QGZVFWFLSA-N 0 0 419.337 5.851 50 0 HKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1-2 ZINC000002882384 557420294 /nfs/dbraw/zinc/42/02/94/557420294.db2.gz ARMDDRDHUMZOBP-KRWDZBQOSA-N 0 0 419.337 5.851 50 0 HKAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1-c1ccccc1 ZINC000002882663 557420236 /nfs/dbraw/zinc/42/02/36/557420236.db2.gz AUMIMMYCMJFLJV-UHFFFAOYSA-N 0 0 416.702 5.787 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000002882858 557420288 /nfs/dbraw/zinc/42/02/88/557420288.db2.gz QSWFORGDFBSAIV-UHFFFAOYSA-N 0 0 410.473 5.282 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002882877 557420175 /nfs/dbraw/zinc/42/01/75/557420175.db2.gz BFEFWDHBKSCZDH-UHFFFAOYSA-N 0 0 413.713 6.031 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 ZINC000002882888 557420197 /nfs/dbraw/zinc/42/01/97/557420197.db2.gz ATIMKFRJVANGTP-UHFFFAOYSA-N 0 0 413.473 5.810 50 0 aggregator HKAARN O=C(Nc1cccc(Cl)c1)C(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000002882895 557420216 /nfs/dbraw/zinc/42/02/16/557420216.db2.gz ODFWSNXOYXUTKK-UHFFFAOYSA-N 0 0 413.304 5.430 50 0 HKAARN O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002882918 557420315 /nfs/dbraw/zinc/42/03/15/557420315.db2.gz OENDXNSDSORGJA-UHFFFAOYSA-N 0 0 405.144 5.628 50 0 HKAARN C[C@H]1CCCCN1c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000002882939 132258987 /nfs/dbraw/zinc/25/89/87/132258987.db2.gz CMAPLBRQYDRVMS-ZDUSSCGKSA-N 0 0 407.739 5.734 50 0 HKAARN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000002882940 132259074 /nfs/dbraw/zinc/25/90/74/132259074.db2.gz CMAPLBRQYDRVMS-CYBMUJFWSA-N 0 0 407.739 5.734 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Br ZINC000002882959 560732720 /nfs/dbraw/zinc/73/27/20/560732720.db2.gz PTPDGLJLDBLTJR-UHFFFAOYSA-N 0 0 408.601 5.382 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000002883007 557420520 /nfs/dbraw/zinc/42/05/20/557420520.db2.gz IRPMNGGKNAICED-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000002883008 560732705 /nfs/dbraw/zinc/73/27/05/560732705.db2.gz YAGRUYHVVIOGNX-UHFFFAOYSA-N 0 0 409.324 5.013 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1Br ZINC000002883009 557420484 /nfs/dbraw/zinc/42/04/84/557420484.db2.gz NCLRZXNTOWXCRL-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1Cl ZINC000002883121 557420490 /nfs/dbraw/zinc/42/04/90/557420490.db2.gz RTHYMXXJLFOSIA-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002883163 557420534 /nfs/dbraw/zinc/42/05/34/557420534.db2.gz KMDFDAVEICBYMR-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000002883227 557420495 /nfs/dbraw/zinc/42/04/95/557420495.db2.gz BGKXVDFBFDDEQE-UHFFFAOYSA-N 0 0 407.857 5.339 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000002883229 557420540 /nfs/dbraw/zinc/42/05/40/557420540.db2.gz LAWJMPZGVXCANS-UHFFFAOYSA-N 0 0 407.857 5.339 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000002883277 557420546 /nfs/dbraw/zinc/42/05/46/557420546.db2.gz IZJJXQBUIJYHEH-UHFFFAOYSA-N 0 0 413.304 6.060 50 0 HKAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002883289 132259054 /nfs/dbraw/zinc/25/90/54/132259054.db2.gz PKHHMIXWYDPFLI-UHFFFAOYSA-N 0 0 417.292 5.342 50 0 HKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000002883339 560732686 /nfs/dbraw/zinc/73/26/86/560732686.db2.gz AGVFGMNOIAIPJA-UHFFFAOYSA-N 0 0 424.216 5.882 50 0 HKAARN CCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 ZINC000002883370 557420652 /nfs/dbraw/zinc/42/06/52/557420652.db2.gz XMXPKVKEFUFLDN-UHFFFAOYSA-N 0 0 405.498 5.110 50 0 HKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000002883467 557420747 /nfs/dbraw/zinc/42/07/47/557420747.db2.gz VPNZKUHHOLZPDB-UHFFFAOYSA-N 0 0 420.512 5.638 50 0 HKAARN Cc1cc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc(C)c1Cl ZINC000002883666 557420638 /nfs/dbraw/zinc/42/06/38/557420638.db2.gz CFPMSHQMLYUGBR-UHFFFAOYSA-N 0 0 420.896 5.460 50 0 HKAARN COc1c(F)c(F)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(F)c1F ZINC000002883676 557420777 /nfs/dbraw/zinc/42/07/77/557420777.db2.gz ANJXCFIIFKEZKY-UHFFFAOYSA-N 0 0 416.783 5.281 50 0 HKAARN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)c1 ZINC000002883698 557420788 /nfs/dbraw/zinc/42/07/88/557420788.db2.gz KFVONRPJDANCCN-UHFFFAOYSA-N 0 0 411.255 5.719 50 0 HKAARN Cc1cc(NC(=O)CSCc2c(F)cccc2Cl)ccc1Br ZINC000002883719 557420676 /nfs/dbraw/zinc/42/06/76/557420676.db2.gz YQCYJVHPCPHKGI-UHFFFAOYSA-N 0 0 402.716 5.422 50 0 HKAARN COc1ccc(C(=O)C[C@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(OC)cc2)cc1 ZINC000002883907 557420947 /nfs/dbraw/zinc/42/09/47/557420947.db2.gz AONJIZKDDQFWRD-DNQXCXABSA-N 0 0 408.538 6.014 50 0 biogenic HKAARN COc1ccc(C(=O)C[C@@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(OC)cc2)cc1 ZINC000002883908 557421057 /nfs/dbraw/zinc/42/10/57/557421057.db2.gz AONJIZKDDQFWRD-BJKOFHAPSA-N 0 0 408.538 6.014 50 0 biogenic HKAARN COc1ccc(C(=O)C[C@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(OC)cc2)cc1 ZINC000002883909 557421009 /nfs/dbraw/zinc/42/10/09/557421009.db2.gz AONJIZKDDQFWRD-RPWUZVMVSA-N 0 0 408.538 6.014 50 0 biogenic HKAARN COc1ccc(C(=O)C[C@@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(OC)cc2)cc1 ZINC000002883910 557420974 /nfs/dbraw/zinc/42/09/74/557420974.db2.gz AONJIZKDDQFWRD-ZEQRLZLVSA-N 0 0 408.538 6.014 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br ZINC000002884084 557421049 /nfs/dbraw/zinc/42/10/49/557421049.db2.gz FOSPVVJXFCKRKL-UHFFFAOYSA-N 0 0 422.282 5.253 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c(C)c1 ZINC000002884107 557420944 /nfs/dbraw/zinc/42/09/44/557420944.db2.gz HDBYMHKWUCYRKQ-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)Nc1ccccc1 ZINC000002884140 557420959 /nfs/dbraw/zinc/42/09/59/557420959.db2.gz QJKNODQFZIGUOA-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN Cc1ccc(SCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000002884143 132259043 /nfs/dbraw/zinc/25/90/43/132259043.db2.gz YXYBHKUGJVYWCX-UHFFFAOYSA-N 0 0 402.563 5.250 50 0 HKAARN Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1ccccc1 ZINC000002884145 557421023 /nfs/dbraw/zinc/42/10/23/557421023.db2.gz WJEQWWQZSKVYNP-UHFFFAOYSA-N 0 0 414.892 6.306 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c(C)c1 ZINC000002884150 557421026 /nfs/dbraw/zinc/42/10/26/557421026.db2.gz XPTPPQVQCMKMGE-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002884197 560732699 /nfs/dbraw/zinc/73/26/99/560732699.db2.gz OUQJNUOUNIQTRS-UHFFFAOYSA-N 0 0 411.082 6.268 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000002884293 557421186 /nfs/dbraw/zinc/42/11/86/557421186.db2.gz BJQNAPYTJFROJL-UHFFFAOYSA-N 0 0 408.885 5.388 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000002884318 557421245 /nfs/dbraw/zinc/42/12/45/557421245.db2.gz CFTTYBZUGDJFNJ-UHFFFAOYSA-N 0 0 419.352 5.994 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1Cl ZINC000002884357 560732695 /nfs/dbraw/zinc/73/26/95/560732695.db2.gz HDQFPSZTFCUJQT-QMMMGPOBSA-N 0 0 423.521 5.815 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1Cl ZINC000002884358 560732710 /nfs/dbraw/zinc/73/27/10/560732710.db2.gz HDQFPSZTFCUJQT-MRVPVSSYSA-N 0 0 423.521 5.815 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002884374 557421242 /nfs/dbraw/zinc/42/12/42/557421242.db2.gz SPRWDJSKJMBEAG-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC ZINC000002884443 557421265 /nfs/dbraw/zinc/42/12/65/557421265.db2.gz HRMPAJOOXIFNKJ-UHFFFAOYSA-N 0 0 418.921 5.273 50 0 HKAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccc2c(Cl)cccc12 ZINC000002884450 557421174 /nfs/dbraw/zinc/42/11/74/557421174.db2.gz BZOCYAOYIPPUGU-UHFFFAOYSA-N 0 0 409.725 5.927 50 0 HKAARN CCCCn1c2ccccc2c2nnc(SCC(=O)c3ccc(Cl)cc3)nc21 ZINC000002884469 557421221 /nfs/dbraw/zinc/42/12/21/557421221.db2.gz KDEZWLYLDHHSOM-UHFFFAOYSA-N 0 0 410.930 5.408 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000002884519 557421145 /nfs/dbraw/zinc/42/11/45/557421145.db2.gz XHKPEWLHAQZJQG-UHFFFAOYSA-N 0 0 420.896 6.253 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccccc3Cl)n2)cc1 ZINC000002884526 557421276 /nfs/dbraw/zinc/42/12/76/557421276.db2.gz GMHRKRSTUNBYHP-UHFFFAOYSA-N 0 0 414.914 5.234 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000002884551 557421463 /nfs/dbraw/zinc/42/14/63/557421463.db2.gz NQDRKTIXVDSVAV-UHFFFAOYSA-N 0 0 419.264 5.408 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000002884559 557421495 /nfs/dbraw/zinc/42/14/95/557421495.db2.gz QANDSUWKQLLULF-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1OC ZINC000002884592 557421460 /nfs/dbraw/zinc/42/14/60/557421460.db2.gz KHQUNRCZWOYSCP-UHFFFAOYSA-N 0 0 410.901 5.883 50 0 HKAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002884639 557421484 /nfs/dbraw/zinc/42/14/84/557421484.db2.gz RGMITPZYZHQYAO-UHFFFAOYSA-N 0 0 406.485 5.787 50 0 HKAARN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2OC(F)F)c1Cl ZINC000002884705 557421551 /nfs/dbraw/zinc/42/15/51/557421551.db2.gz WAOVCPBIWDHVID-UHFFFAOYSA-N 0 0 424.658 5.883 50 0 HKAARN Cc1cc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Cl ZINC000002884709 557421448 /nfs/dbraw/zinc/42/14/48/557421448.db2.gz QBGMLIWXUMXUPS-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1OC(F)F ZINC000002884809 557421525 /nfs/dbraw/zinc/42/15/25/557421525.db2.gz YOUHQDVWHVQLLT-UHFFFAOYSA-N 0 0 422.225 5.465 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000002884884 557421564 /nfs/dbraw/zinc/42/15/64/557421564.db2.gz BPTOCCUUYRBWAW-UHFFFAOYSA-N 0 0 416.502 5.650 50 0 HKAARN COc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(OC)c1 ZINC000002884893 560732731 /nfs/dbraw/zinc/73/27/31/560732731.db2.gz SEVVHEZEUGGNHU-UHFFFAOYSA-N 0 0 418.704 5.298 50 0 HKAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000002884958 557421555 /nfs/dbraw/zinc/42/15/55/557421555.db2.gz LFEIORQDWRXQFA-UHFFFAOYSA-N 0 0 405.519 5.635 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000002884993 557421749 /nfs/dbraw/zinc/42/17/49/557421749.db2.gz 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/nfs/dbraw/zinc/25/91/81/132259181.db2.gz CVXMHOMTGNXLSH-UHFFFAOYSA-N 0 0 413.590 6.434 50 0 HKAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc(C(C)(C)C)c1 ZINC000002890916 569278384 /nfs/dbraw/zinc/27/83/84/569278384.db2.gz YFOHGHDMAOCNOJ-UHFFFAOYSA-N 0 0 423.582 6.062 50 0 HKAARN COc1ccc(NC(=O)CCCSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000002890957 568814965 /nfs/dbraw/zinc/81/49/65/568814965.db2.gz ADMCEKSUAOPYOQ-UHFFFAOYSA-N 0 0 413.568 5.090 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000002891012 557423764 /nfs/dbraw/zinc/42/37/64/557423764.db2.gz IGEPAAOQMXZRSI-UHFFFAOYSA-N 0 0 410.882 5.984 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002891023 557423767 /nfs/dbraw/zinc/42/37/67/557423767.db2.gz MFUOELJEPMDQFZ-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000002891031 560732711 /nfs/dbraw/zinc/73/27/11/560732711.db2.gz BBGWPAINEOOXHE-UHFFFAOYSA-N 0 0 417.578 5.635 50 0 HKAARN Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c(Cl)c1 ZINC000002891162 557423809 /nfs/dbraw/zinc/42/38/09/557423809.db2.gz RNWDPCLYNHFTPE-UHFFFAOYSA-N 0 0 409.917 5.674 50 0 HKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Cl)cc1Cl ZINC000002891184 557423776 /nfs/dbraw/zinc/42/37/76/557423776.db2.gz DIUXAJCKHAUWQB-UHFFFAOYSA-N 0 0 410.256 6.019 50 0 HKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)c(Cl)cc12 ZINC000002891878 557423802 /nfs/dbraw/zinc/42/38/02/557423802.db2.gz KPRJRYBKHAKXSW-UHFFFAOYSA-N 0 0 405.277 5.704 50 0 HKAARN CCCOc1ccc2c(c1)oc(C(F)(F)F)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000002892038 557423817 /nfs/dbraw/zinc/42/38/17/557423817.db2.gz UJCMHJDPTQFSFI-UHFFFAOYSA-N 0 0 414.383 5.453 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000002893040 557424087 /nfs/dbraw/zinc/42/40/87/557424087.db2.gz KJBXUXXEGMBMNR-UHFFFAOYSA-N 0 0 420.512 6.475 50 0 HKAARN Cc1cc2c(o1)-c1c3cc(Br)ccc3oc1CC[C@]2(C)c1ccccc1 ZINC000002893304 569060584 /nfs/dbraw/zinc/06/05/84/569060584.db2.gz BUAAQHLVLQKLNS-HSZRJFAPSA-N 0 0 407.307 7.016 50 0 biogenic HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccccc1Br ZINC000002893386 557424085 /nfs/dbraw/zinc/42/40/85/557424085.db2.gz LKFZKSZOKXHLEX-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1cccc(Br)c1 ZINC000002893387 557424065 /nfs/dbraw/zinc/42/40/65/557424065.db2.gz ATSXKQSQSHZELW-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN O=C(Nc1cccc(Cl)c1)OCCOc1ccc(Cl)cc1Br ZINC000002893391 557424010 /nfs/dbraw/zinc/42/40/10/557424010.db2.gz CLVDUBFXKQWLMR-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)OCCOc1ccc(Cl)cc1Br ZINC000002893393 557424089 /nfs/dbraw/zinc/42/40/89/557424089.db2.gz DBLKONGLCMAMNW-UHFFFAOYSA-N 0 0 405.075 5.383 50 0 HKAARN O=C(Nc1cccc2ccccc21)OCCOc1ccc(Cl)cc1Br ZINC000002893397 557424091 /nfs/dbraw/zinc/42/40/91/557424091.db2.gz UIMGWQQOVKGYJB-UHFFFAOYSA-N 0 0 420.690 5.883 50 0 HKAARN C[C@@H](CCC(=O)Nc1nc2ccccc2s1)CC(=O)Nc1nc2ccccc2s1 ZINC000002894573 557424045 /nfs/dbraw/zinc/42/40/45/557424045.db2.gz ZTPVDRRAGMRLEE-ZDUSSCGKSA-N 0 0 424.551 5.290 50 0 HKAARN c1csc(-c2nc3ccc(Cc4ccc5oc(-c6cccs6)nc5c4)cc3o2)c1 ZINC000002894667 557424083 /nfs/dbraw/zinc/42/40/83/557424083.db2.gz ASEPREYJQRMBIC-UHFFFAOYSA-N 0 0 414.511 7.017 50 0 HKAARN CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1 ZINC000002894668 557424076 /nfs/dbraw/zinc/42/40/76/557424076.db2.gz LRGHGCSDYGFVNW-UHFFFAOYSA-N 0 0 403.485 6.522 50 0 HKAARN O=C(Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1)c1ccccc1Cl ZINC000002895282 560732701 /nfs/dbraw/zinc/73/27/01/560732701.db2.gz ZXBYJOALAJTANE-NDENLUEZSA-N 0 0 421.811 5.043 50 0 HKAARN Clc1ccc(Cl)c(CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000002895547 557424257 /nfs/dbraw/zinc/42/42/57/557424257.db2.gz AUROLXNMTYXBOC-UHFFFAOYSA-N 0 0 416.127 6.098 50 0 HKAARN CC(C)(C)c1cc(CCCOC(=O)CNC2CCCCC2)cc(C(C)(C)C)c1O ZINC000002896390 557424318 /nfs/dbraw/zinc/42/43/18/557424318.db2.gz HBSXVCGCAQXIRF-UHFFFAOYSA-N 0 0 403.607 5.385 50 0 biogenic HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000002896412 568814949 /nfs/dbraw/zinc/81/49/49/568814949.db2.gz LSSVJPJNSIAVEI-UHFFFAOYSA-N 0 0 405.295 6.182 50 0 HKAARN CC(C)OC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000002896634 557424353 /nfs/dbraw/zinc/42/43/53/557424353.db2.gz AIFKDYKIZBFESN-UHFFFAOYSA-N 0 0 412.121 5.295 50 0 HKAARN O=S1(=O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000002897557 557424315 /nfs/dbraw/zinc/42/43/15/557424315.db2.gz MCIARMBFBVAZDY-UHFFFAOYSA-N 0 0 420.533 6.552 50 0 HKAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000002898130 557424364 /nfs/dbraw/zinc/42/43/64/557424364.db2.gz SWGFJPRWMGZYDL-OVCLIPMQSA-N 0 0 412.820 5.465 50 0 HKAARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000002898131 560886027 /nfs/dbraw/zinc/88/60/27/560886027.db2.gz SWGFJPRWMGZYDL-NVNXTCNLSA-N 0 0 412.820 5.465 50 0 HKAARN COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H](C(=O)C(C)(C)C)C(C(C)(C)C)=C2)cc1 ZINC000002898641 557424283 /nfs/dbraw/zinc/42/42/83/557424283.db2.gz NEYKOHBXESCUFS-UKILVPOCSA-N 0 0 402.578 7.080 50 0 HKAARN COc1ccc(C2=C[C@@H](c3ccccc3)[C@H](C(=O)C(C)(C)C)C(C(C)(C)C)=C2)cc1 ZINC000002898642 557424312 /nfs/dbraw/zinc/42/43/12/557424312.db2.gz NEYKOHBXESCUFS-ZCYQVOJMSA-N 0 0 402.578 7.080 50 0 HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@H](C(=O)C(C)(C)C)C(C(C)(C)C)=C2)cc1 ZINC000002898644 557424335 /nfs/dbraw/zinc/42/43/35/557424335.db2.gz NEYKOHBXESCUFS-NOZRDPDXSA-N 0 0 402.578 7.080 50 0 HKAARN CCCCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002898815 557424594 /nfs/dbraw/zinc/42/45/94/557424594.db2.gz TWCBFEGAWJJNSP-UHFFFAOYSA-N 0 0 412.580 5.112 50 0 HKAARN Cc1ccccc1Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000002899073 557424597 /nfs/dbraw/zinc/42/45/97/557424597.db2.gz DEXZYSBFGIIWNM-UHFFFAOYSA-N 0 0 413.296 5.731 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000002899988 557424613 /nfs/dbraw/zinc/42/46/13/557424613.db2.gz DOOIPGOBIXJCGX-UHFFFAOYSA-N 0 0 406.913 6.142 50 0 HKAARN CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000002900503 557424633 /nfs/dbraw/zinc/42/46/33/557424633.db2.gz FCSNPADAMUTRQU-UHFFFAOYSA-N 0 0 412.511 5.379 50 0 HKAARN CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002900809 557424559 /nfs/dbraw/zinc/42/45/59/557424559.db2.gz MXNZIWHLOZJVBM-LBPRGKRZSA-N 0 0 423.060 5.032 50 0 HKAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002900810 557424601 /nfs/dbraw/zinc/42/46/01/557424601.db2.gz MXNZIWHLOZJVBM-GFCCVEGCSA-N 0 0 423.060 5.032 50 0 HKAARN Cc1c(C)c(C)c(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)c(C)c1C ZINC000002901700 557424894 /nfs/dbraw/zinc/42/48/94/557424894.db2.gz LRODCMKLDSYEPM-UHFFFAOYSA-N 0 0 420.940 6.387 50 0 HKAARN CC(=O)Oc1ccccc1-c1nc(SCc2ccccc2)nc(-c2ccccc2)n1 ZINC000002901738 557770907 /nfs/dbraw/zinc/77/09/07/557770907.db2.gz CJXDYIHMNDZELD-UHFFFAOYSA-N 0 0 413.502 5.423 50 0 HKAARN Cc1c(C)c(C)c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1C ZINC000002902082 557424875 /nfs/dbraw/zinc/42/48/75/557424875.db2.gz DHFQCHZFIBDKNY-UHFFFAOYSA-N 0 0 420.940 6.387 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c(OC)c1OC ZINC000002902435 557424897 /nfs/dbraw/zinc/42/48/97/557424897.db2.gz MYLIBDSOZRHLQT-UHFFFAOYSA-N 0 0 420.896 6.090 50 0 HKAARN CCCCc1cc(=O)oc2cc(O[C@H](C(=O)OCC)c3ccccc3)c(Cl)cc12 ZINC000002902448 557424882 /nfs/dbraw/zinc/42/48/82/557424882.db2.gz LXQFEOJEZVSXCS-QFIPXVFZSA-N 0 0 414.885 5.472 50 0 HKAARN CCCCc1cc(=O)oc2cc(O[C@@H](C(=O)OCC)c3ccccc3)c(Cl)cc12 ZINC000002902449 557424888 /nfs/dbraw/zinc/42/48/88/557424888.db2.gz LXQFEOJEZVSXCS-JOCHJYFZSA-N 0 0 414.885 5.472 50 0 HKAARN Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Br ZINC000002903006 557424892 /nfs/dbraw/zinc/42/48/92/557424892.db2.gz ZBGSCTWZNRLOHW-UHFFFAOYSA-N 0 0 417.130 5.862 50 0 HKAARN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000002903463 557424870 /nfs/dbraw/zinc/42/48/70/557424870.db2.gz IORGLQAXSFDLJW-UHFFFAOYSA-N 0 0 404.532 5.233 50 0 HKAARN c1ccc2c(c1)cccc2Nc1nc2nonc2nc1Nc1cccc2ccccc21 ZINC000002903492 557424852 /nfs/dbraw/zinc/42/48/52/557424852.db2.gz AUIXOWVPFTVBPC-UHFFFAOYSA-N 0 0 404.433 5.806 50 0 HKAARN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000002903693 557424884 /nfs/dbraw/zinc/42/48/84/557424884.db2.gz MHOCZHXTQDWNFC-UHFFFAOYSA-N 0 0 410.923 5.270 50 0 HKAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2)CCCC3)cc1 ZINC000002904103 557425204 /nfs/dbraw/zinc/42/52/04/557425204.db2.gz CABMSFDIKFYYDR-UHFFFAOYSA-N 0 0 406.507 5.140 50 0 HKAARN CCCOc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1 ZINC000002904256 557425185 /nfs/dbraw/zinc/42/51/85/557425185.db2.gz UQGXOQNQGVZKGP-UHFFFAOYSA-N 0 0 416.477 5.877 50 0 HKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000002904314 557425208 /nfs/dbraw/zinc/42/52/08/557425208.db2.gz CLTNIQJZDDETJE-UHFFFAOYSA-N 0 0 418.990 5.795 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC3)cc1 ZINC000002904326 557425162 /nfs/dbraw/zinc/42/51/62/557425162.db2.gz ZNXGBQSSHZACOJ-UHFFFAOYSA-N 0 0 412.536 5.202 50 0 HKAARN O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccccc1Cl ZINC000002904327 557425154 /nfs/dbraw/zinc/42/51/54/557425154.db2.gz RAMVVBNCYUXTBS-UHFFFAOYSA-N 0 0 416.974 5.549 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000002904408 557425178 /nfs/dbraw/zinc/42/51/78/557425178.db2.gz ITZUXLWSYCHEDE-GFCCVEGCSA-N 0 0 414.914 5.624 50 0 HKAARN C[C@@H](CC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccccc1 ZINC000002904502 557425176 /nfs/dbraw/zinc/42/51/76/557425176.db2.gz ZUZNIVWPAFTFSB-IBGZPJMESA-N 0 0 407.642 7.711 50 0 HKAARN C[C@H](CC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccccc1 ZINC000002904503 557425164 /nfs/dbraw/zinc/42/51/64/557425164.db2.gz ZUZNIVWPAFTFSB-LJQANCHMSA-N 0 0 407.642 7.711 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000002904567 557771193 /nfs/dbraw/zinc/77/11/93/557771193.db2.gz GTVGJGPMMYCUQH-AWEZNQCLSA-N 0 0 424.953 6.031 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000002904568 557771229 /nfs/dbraw/zinc/77/12/29/557771229.db2.gz GTVGJGPMMYCUQH-CQSZACIVSA-N 0 0 424.953 6.031 50 0 HKAARN Cc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002904635 557425166 /nfs/dbraw/zinc/42/51/66/557425166.db2.gz BQIPHISEJLIKDQ-UHFFFAOYSA-N 0 0 414.508 7.578 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000002904747 557425142 /nfs/dbraw/zinc/42/51/42/557425142.db2.gz JGRWZXPVTYPKBP-UHFFFAOYSA-N 0 0 424.953 6.093 50 0 HKAARN CC(C)(C)C(=O)[C@H]1[C@@](O)(C(C)(C)C)C=C(c2ccccc2)C[C@]1(C)c1ccccc1 ZINC000002904830 557425212 /nfs/dbraw/zinc/42/52/12/557425212.db2.gz KJHHFKQOGHKESM-XTBZXYEFSA-N 0 0 404.594 6.440 50 0 HKAARN CCOc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)cc1 ZINC000002904844 557425173 /nfs/dbraw/zinc/42/51/73/557425173.db2.gz GFDVDFQYMZPZHD-UHFFFAOYSA-N 0 0 420.534 5.530 50 0 HKAARN O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccccc1)sc1c2CCC1 ZINC000002905032 557425408 /nfs/dbraw/zinc/42/54/08/557425408.db2.gz NERDVUQYGRMESB-UHFFFAOYSA-N 0 0 424.978 5.882 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 ZINC000002905263 557425436 /nfs/dbraw/zinc/42/54/36/557425436.db2.gz RDLPYVUOZDARQO-UHFFFAOYSA-N 0 0 418.518 5.403 50 0 HKAARN CCCCc1cc(=O)oc2cc(OCc3ccc(C(=O)OC)cc3)c(Cl)cc12 ZINC000002905860 557425694 /nfs/dbraw/zinc/42/56/94/557425694.db2.gz FPWBQRUHHTYWIE-UHFFFAOYSA-N 0 0 400.858 5.155 50 0 HKAARN Cc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000002905912 557425638 /nfs/dbraw/zinc/42/56/38/557425638.db2.gz FGHDQYWHFNUOHZ-UHFFFAOYSA-N 0 0 422.484 5.842 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002906348 557425615 /nfs/dbraw/zinc/42/56/15/557425615.db2.gz UGNBTAZJBYSGRS-OAQYLSRUSA-N 0 0 416.506 5.316 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1c(OC)ccc3ccccc31)Nc1ccccc1-2 ZINC000002906349 557425682 /nfs/dbraw/zinc/42/56/82/557425682.db2.gz UGNBTAZJBYSGRS-NRFANRHFSA-N 0 0 416.506 5.316 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002906392 557425684 /nfs/dbraw/zinc/42/56/84/557425684.db2.gz QJSORIWNNAYVMP-MRXNPFEDSA-N 0 0 405.310 5.461 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 ZINC000002906393 557425672 /nfs/dbraw/zinc/42/56/72/557425672.db2.gz QJSORIWNNAYVMP-INIZCTEOSA-N 0 0 405.310 5.461 50 0 HKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002906693 557425688 /nfs/dbraw/zinc/42/56/88/557425688.db2.gz KJOFRBHOYATSNQ-FQEVSTJZSA-N 0 0 410.344 6.555 50 0 HKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002906694 557425647 /nfs/dbraw/zinc/42/56/47/557425647.db2.gz KJOFRBHOYATSNQ-HXUWFJFHSA-N 0 0 410.344 6.555 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000002907631 557425893 /nfs/dbraw/zinc/42/58/93/557425893.db2.gz DPTCAJCAJFOYFS-KGENOOAVSA-N 0 0 403.865 5.572 50 0 HKAARN O=S(=O)(NC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000002907955 568815314 /nfs/dbraw/zinc/81/53/14/568815314.db2.gz AQTWXECSKSZRRN-HXUWFJFHSA-N 0 0 421.349 5.125 50 0 HKAARN O=S(=O)(NC[C@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000002907957 568815197 /nfs/dbraw/zinc/81/51/97/568815197.db2.gz AQTWXECSKSZRRN-FQEVSTJZSA-N 0 0 421.349 5.125 50 0 HKAARN COP(=O)(OC)c1nc(-c2cccc3ccccc32)oc1NCc1ccccc1 ZINC000002908123 568815201 /nfs/dbraw/zinc/81/52/01/568815201.db2.gz KZDVVIYQKAFCIA-UHFFFAOYSA-N 0 0 408.394 5.218 50 0 HKAARN COP(=O)(OC)c1nc(-c2cccc3ccccc32)oc1NCCc1ccccc1 ZINC000002908125 557771183 /nfs/dbraw/zinc/77/11/83/557771183.db2.gz AJXFTMAKUHHKAD-UHFFFAOYSA-N 0 0 422.421 5.261 50 0 aggregator HKAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 ZINC000002908142 557771199 /nfs/dbraw/zinc/77/11/99/557771199.db2.gz RLHOEHMFZXSKEG-UHFFFAOYSA-N 0 0 420.833 5.499 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1N1CCCCC1 ZINC000002908157 557771153 /nfs/dbraw/zinc/77/11/53/557771153.db2.gz ZWYDNBBNRRWODW-UHFFFAOYSA-N 0 0 414.442 5.377 50 0 HKAARN 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HKAARN CCSc1nnc2c(n1)O[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002913079 557426270 /nfs/dbraw/zinc/42/62/70/557426270.db2.gz SNPUOGHHLAVZIG-MRXNPFEDSA-N 0 0 405.310 5.461 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002913081 557426194 /nfs/dbraw/zinc/42/61/94/557426194.db2.gz SNPUOGHHLAVZIG-INIZCTEOSA-N 0 0 405.310 5.461 50 0 HKAARN Cc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1Cl ZINC000002913165 557426242 /nfs/dbraw/zinc/42/62/42/557426242.db2.gz PLCQMFXGQOMJTO-UHFFFAOYSA-N 0 0 401.000 7.175 50 0 HKAARN CCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCCC)nc2O1 ZINC000002913184 557426277 /nfs/dbraw/zinc/42/62/77/557426277.db2.gz UREMXCCBTKTLMO-FQEVSTJZSA-N 0 0 408.527 5.333 50 0 HKAARN CCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCCC)nc2O1 ZINC000002913186 557426248 /nfs/dbraw/zinc/42/62/48/557426248.db2.gz UREMXCCBTKTLMO-HXUWFJFHSA-N 0 0 408.527 5.333 50 0 HKAARN O[C@H](Cn1cnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002914846 557426578 /nfs/dbraw/zinc/42/65/78/557426578.db2.gz 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ZINC000002914970 568816289 /nfs/dbraw/zinc/81/62/89/568816289.db2.gz DZEPHJVWGRJYCX-NRFANRHFSA-N 0 0 417.896 5.763 50 0 HKAARN COC(=O)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002915000 568816326 /nfs/dbraw/zinc/81/63/26/568816326.db2.gz GVRUGRAJXOGZCD-JOCHJYFZSA-N 0 0 415.880 5.532 50 0 HKAARN COC(=O)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002915004 568816302 /nfs/dbraw/zinc/81/63/02/568816302.db2.gz GVRUGRAJXOGZCD-QFIPXVFZSA-N 0 0 415.880 5.532 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002915097 568816269 /nfs/dbraw/zinc/81/62/69/568816269.db2.gz CPEMQJSVIMELFH-JOCHJYFZSA-N 0 0 416.322 6.163 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002915100 568816332 /nfs/dbraw/zinc/81/63/32/568816332.db2.gz CPEMQJSVIMELFH-QFIPXVFZSA-N 0 0 416.322 6.163 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000002915351 557769823 /nfs/dbraw/zinc/76/98/23/557769823.db2.gz GDNFOQROBBTMGN-QFIPXVFZSA-N 0 0 406.316 6.708 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000002915352 557769831 /nfs/dbraw/zinc/76/98/31/557769831.db2.gz GDNFOQROBBTMGN-JOCHJYFZSA-N 0 0 406.316 6.708 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000002915612 557426598 /nfs/dbraw/zinc/42/65/98/557426598.db2.gz WBJOKGUIGKXOSV-OAQYLSRUSA-N 0 0 422.554 5.723 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000002915614 557426512 /nfs/dbraw/zinc/42/65/12/557426512.db2.gz WBJOKGUIGKXOSV-NRFANRHFSA-N 0 0 422.554 5.723 50 0 HKAARN COc1cccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000002915921 568816281 /nfs/dbraw/zinc/81/62/81/568816281.db2.gz PXOKJMGYJWLDRL-QFIPXVFZSA-N 0 0 413.477 5.118 50 0 HKAARN COc1cccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000002915924 568816204 /nfs/dbraw/zinc/81/62/04/568816204.db2.gz PXOKJMGYJWLDRL-JOCHJYFZSA-N 0 0 413.477 5.118 50 0 HKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000002915926 568816284 /nfs/dbraw/zinc/81/62/84/568816284.db2.gz PZJVLDVOACXUAE-QHCPKHFHSA-N 0 0 411.505 5.672 50 0 HKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000002915928 568816324 /nfs/dbraw/zinc/81/63/24/568816324.db2.gz PZJVLDVOACXUAE-HSZRJFAPSA-N 0 0 411.505 5.672 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 ZINC000002915998 557426527 /nfs/dbraw/zinc/42/65/27/557426527.db2.gz YGCLCVQCDFVYHY-UHFFFAOYSA-N 0 0 418.562 5.759 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 ZINC000002916245 568816211 /nfs/dbraw/zinc/81/62/11/568816211.db2.gz TUEFQJALRPJTJN-HXUWFJFHSA-N 0 0 410.279 6.538 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 ZINC000002916247 568816215 /nfs/dbraw/zinc/81/62/15/568816215.db2.gz TUEFQJALRPJTJN-FQEVSTJZSA-N 0 0 410.279 6.538 50 0 HKAARN C[C@@H]1C[C@@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 ZINC000002916348 557426601 /nfs/dbraw/zinc/42/66/01/557426601.db2.gz HJMYOEFFGHWXHF-LXFBAYGMSA-N 0 0 420.560 6.567 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccc(OC)cc2)cc1 ZINC000002916506 558779802 /nfs/dbraw/zinc/77/98/02/558779802.db2.gz JPOQBTRRWROESJ-UHFFFAOYSA-N 0 0 406.463 5.340 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2-c2ccccc2)cc1 ZINC000002916510 557426603 /nfs/dbraw/zinc/42/66/03/557426603.db2.gz FBGATRYGHDEVAN-UHFFFAOYSA-N 0 0 404.466 5.877 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2-c2ccccc2)cc1 ZINC000002916692 557426554 /nfs/dbraw/zinc/42/65/54/557426554.db2.gz QLSPFMFZPWRMSG-UHFFFAOYSA-N 0 0 420.921 6.391 50 0 HKAARN O=c1c2sccc2nc(SCc2ccccc2)n1-c1cccc(Cl)c1Cl ZINC000002916846 568816479 /nfs/dbraw/zinc/81/64/79/568816479.db2.gz TVIPGDNINQZXLM-UHFFFAOYSA-N 0 0 419.358 6.046 50 0 HKAARN CCCCn1c(=O)c2sccc2nc1SCc1csc2ccc(Cl)cc12 ZINC000002916848 568816475 /nfs/dbraw/zinc/81/64/75/568816475.db2.gz MYJIPMOMGXXWBL-UHFFFAOYSA-N 0 0 421.012 6.419 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002917169 557426894 /nfs/dbraw/zinc/42/68/94/557426894.db2.gz NPYFSEGPVPBOFA-JOCHJYFZSA-N 0 0 414.534 6.087 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc3ccccc31)Nc1ccccc1-2 ZINC000002917171 557426877 /nfs/dbraw/zinc/42/68/77/557426877.db2.gz NPYFSEGPVPBOFA-QFIPXVFZSA-N 0 0 414.534 6.087 50 0 HKAARN Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000002917468 557770039 /nfs/dbraw/zinc/77/00/39/557770039.db2.gz AIHISQJIXOBUSK-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000002917470 557770017 /nfs/dbraw/zinc/77/00/17/557770017.db2.gz XZGUBDMWQMRJBE-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000002917471 557770059 /nfs/dbraw/zinc/77/00/59/557770059.db2.gz JSXLSUTXTATVLI-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)c1 ZINC000002917522 557770065 /nfs/dbraw/zinc/77/00/65/557770065.db2.gz ANIPSGQGOZGZCQ-UHFFFAOYSA-N 0 0 420.357 5.007 50 0 HKAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000002917544 557770078 /nfs/dbraw/zinc/77/00/78/557770078.db2.gz NZBHSMHDPCCBST-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000002917546 557770027 /nfs/dbraw/zinc/77/00/27/557770027.db2.gz ZJZVKNDSDFBYCE-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000002917547 557770000 /nfs/dbraw/zinc/77/00/00/557770000.db2.gz KHFNIGSXRZPFMJ-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1ccc2nc(NC(=O)CSc3nc(-c4cccc(C)c4)ns3)sc2c1 ZINC000002917577 557770023 /nfs/dbraw/zinc/77/00/23/557770023.db2.gz AXJWCOSPYPPADO-UHFFFAOYSA-N 0 0 412.565 5.162 50 0 HKAARN Cc1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)c1 ZINC000002917682 568816391 /nfs/dbraw/zinc/81/63/91/568816391.db2.gz AWSHROBSLIOBEG-JOCHJYFZSA-N 0 0 416.322 6.163 50 0 HKAARN Cc1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)c1 ZINC000002917684 568816425 /nfs/dbraw/zinc/81/64/25/568816425.db2.gz AWSHROBSLIOBEG-QFIPXVFZSA-N 0 0 416.322 6.163 50 0 HKAARN Cc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000002917779 568816450 /nfs/dbraw/zinc/81/64/50/568816450.db2.gz CAKZBIZTNJCKKG-JOCHJYFZSA-N 0 0 416.322 6.163 50 0 HKAARN Cc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000002917780 568816473 /nfs/dbraw/zinc/81/64/73/568816473.db2.gz CAKZBIZTNJCKKG-QFIPXVFZSA-N 0 0 416.322 6.163 50 0 HKAARN CCc1cc2c(cc1OCC(=O)c1ccc(F)cc1)oc(=O)cc2-c1ccccc1 ZINC000002917856 557426862 /nfs/dbraw/zinc/42/68/62/557426862.db2.gz XWATXYUIDKTLDW-UHFFFAOYSA-N 0 0 402.421 5.423 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000002917955 568816438 /nfs/dbraw/zinc/81/64/38/568816438.db2.gz VKFPQEKFNQVADP-JOCHJYFZSA-N 0 0 401.441 5.249 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000002917958 568816420 /nfs/dbraw/zinc/81/64/20/568816420.db2.gz VKFPQEKFNQVADP-QFIPXVFZSA-N 0 0 401.441 5.249 50 0 HKAARN FC(F)Oc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 ZINC000002918014 568816445 /nfs/dbraw/zinc/81/64/45/568816445.db2.gz ATJDUFQOLONXNA-HXUWFJFHSA-N 0 0 423.850 6.347 50 0 HKAARN FC(F)Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 ZINC000002918016 568816429 /nfs/dbraw/zinc/81/64/29/568816429.db2.gz ATJDUFQOLONXNA-FQEVSTJZSA-N 0 0 423.850 6.347 50 0 HKAARN COc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3OC(F)F)C2)cc1 ZINC000002918019 568816355 /nfs/dbraw/zinc/81/63/55/568816355.db2.gz LUPSLACDVOYLCI-NRFANRHFSA-N 0 0 419.431 5.702 50 0 HKAARN COc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3OC(F)F)C2)cc1 ZINC000002918021 568816482 /nfs/dbraw/zinc/81/64/82/568816482.db2.gz LUPSLACDVOYLCI-OAQYLSRUSA-N 0 0 419.431 5.702 50 0 HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3OC(F)F)C2)cc1 ZINC000002918048 568816364 /nfs/dbraw/zinc/81/63/64/568816364.db2.gz BKHCEDUAGLQRAI-HXUWFJFHSA-N 0 0 407.395 5.833 50 0 HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3OC(F)F)C2)cc1 ZINC000002918049 568816666 /nfs/dbraw/zinc/81/66/66/568816666.db2.gz BKHCEDUAGLQRAI-FQEVSTJZSA-N 0 0 407.395 5.833 50 0 HKAARN CCCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)c(Cl)cc12 ZINC000002918117 557426823 /nfs/dbraw/zinc/42/68/23/557426823.db2.gz UWCMOHSSNJSKLZ-UHFFFAOYSA-N 0 0 407.691 5.740 50 0 HKAARN Cc1sc2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002918119 557426869 /nfs/dbraw/zinc/42/68/69/557426869.db2.gz FMJIJDUIVWDWFX-UHFFFAOYSA-N 0 0 412.967 6.010 50 0 HKAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl ZINC000002918178 568816593 /nfs/dbraw/zinc/81/65/93/568816593.db2.gz SCRBMSSODOZNTF-SJORKVTESA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl ZINC000002918180 568816565 /nfs/dbraw/zinc/81/65/65/568816565.db2.gz SCRBMSSODOZNTF-IRXDYDNUSA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl ZINC000002918182 568816606 /nfs/dbraw/zinc/81/66/06/568816606.db2.gz SCRBMSSODOZNTF-IAGOWNOFSA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl ZINC000002918184 568816599 /nfs/dbraw/zinc/81/65/99/568816599.db2.gz SCRBMSSODOZNTF-DLBZAZTESA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl ZINC000002918270 568816559 /nfs/dbraw/zinc/81/65/59/568816559.db2.gz IHUYCCOTZFHFRJ-CVEARBPZSA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl ZINC000002918272 568816585 /nfs/dbraw/zinc/81/65/85/568816585.db2.gz IHUYCCOTZFHFRJ-HOTGVXAUSA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl ZINC000002918274 568816578 /nfs/dbraw/zinc/81/65/78/568816578.db2.gz IHUYCCOTZFHFRJ-HZPDHXFCSA-N 0 0 420.847 5.078 50 0 HKAARN CCOc1ccc([C@@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl ZINC000002918277 568816563 /nfs/dbraw/zinc/81/65/63/568816563.db2.gz IHUYCCOTZFHFRJ-JKSUJKDBSA-N 0 0 420.847 5.078 50 0 HKAARN CCc1cc2c(cc1OCC(=O)c1ccc(Cl)cc1)oc(=O)cc2-c1ccccc1 ZINC000002918301 557426778 /nfs/dbraw/zinc/42/67/78/557426778.db2.gz XBHWNXRLSALWCZ-UHFFFAOYSA-N 0 0 418.876 5.938 50 0 HKAARN COc1cccc(C2=Nc3nc4ccccc4n3[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000002918479 568816604 /nfs/dbraw/zinc/81/66/04/568816604.db2.gz GKMAQDCPZODHDN-NRFANRHFSA-N 0 0 405.860 5.893 50 0 HKAARN COc1cccc(C2=Nc3nc4ccccc4n3[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000002918481 568816595 /nfs/dbraw/zinc/81/65/95/568816595.db2.gz GKMAQDCPZODHDN-OAQYLSRUSA-N 0 0 405.860 5.893 50 0 HKAARN FC(F)Oc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000002918890 568816596 /nfs/dbraw/zinc/81/65/96/568816596.db2.gz HNOVVTXJRGVRFO-OAQYLSRUSA-N 0 0 423.850 6.347 50 0 HKAARN FC(F)Oc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000002918893 568816647 /nfs/dbraw/zinc/81/66/47/568816647.db2.gz HNOVVTXJRGVRFO-NRFANRHFSA-N 0 0 423.850 6.347 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccc(OC(F)F)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002918904 568816646 /nfs/dbraw/zinc/81/66/46/568816646.db2.gz PCVSTFIEKIIOOW-JOCHJYFZSA-N 0 0 403.432 6.002 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccc(OC(F)F)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002918906 568816561 /nfs/dbraw/zinc/81/65/61/568816561.db2.gz PCVSTFIEKIIOOW-QFIPXVFZSA-N 0 0 403.432 6.002 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(OC(F)F)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002919024 568816551 /nfs/dbraw/zinc/81/65/51/568816551.db2.gz WSZICBVTFOKZCZ-JOCHJYFZSA-N 0 0 419.431 5.702 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(OC(F)F)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002919027 568816554 /nfs/dbraw/zinc/81/65/54/568816554.db2.gz WSZICBVTFOKZCZ-QFIPXVFZSA-N 0 0 419.431 5.702 50 0 HKAARN FC(F)Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2)C1 ZINC000002919045 568816587 /nfs/dbraw/zinc/81/65/87/568816587.db2.gz CJJHOIJQVXJQGC-FQEVSTJZSA-N 0 0 423.850 6.347 50 0 HKAARN FC(F)Oc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2)C1 ZINC000002919048 568816582 /nfs/dbraw/zinc/81/65/82/568816582.db2.gz CJJHOIJQVXJQGC-HXUWFJFHSA-N 0 0 423.850 6.347 50 0 HKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000002919115 568816618 /nfs/dbraw/zinc/81/66/18/568816618.db2.gz YWKRHZMOJWBSGM-QHCPKHFHSA-N 0 0 417.915 7.008 50 0 HKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000002919116 568816625 /nfs/dbraw/zinc/81/66/25/568816625.db2.gz YWKRHZMOJWBSGM-HSZRJFAPSA-N 0 0 417.915 7.008 50 0 HKAARN CCOc1ccc([C@H]2CC(c3ccc(C(C)C)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002919432 568816611 /nfs/dbraw/zinc/81/66/11/568816611.db2.gz LTGPJZZKNJRPCC-AREMUKBSSA-N 0 0 409.533 6.614 50 0 HKAARN CCOc1ccc([C@@H]2CC(c3ccc(C(C)C)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000002919434 568816664 /nfs/dbraw/zinc/81/66/64/568816664.db2.gz LTGPJZZKNJRPCC-SANMLTNESA-N 0 0 409.533 6.614 50 0 HKAARN FC(F)Oc1ccc(Cl)cc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002919674 568816557 /nfs/dbraw/zinc/81/65/57/568816557.db2.gz BLOPCEHDIPZPEN-LSDHHAIUSA-N 0 0 411.239 5.333 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000002919700 557427200 /nfs/dbraw/zinc/42/72/00/557427200.db2.gz CRHHECFUWOYVCK-OAQYLSRUSA-N 0 0 406.555 6.057 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000002919702 557427234 /nfs/dbraw/zinc/42/72/34/557427234.db2.gz CRHHECFUWOYVCK-NRFANRHFSA-N 0 0 406.555 6.057 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3c(F)cccc3Cl)C2)cc1C ZINC000002919868 568816575 /nfs/dbraw/zinc/81/65/75/568816575.db2.gz YONLTQUUHQJCRB-QFIPXVFZSA-N 0 0 403.888 6.502 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3c(F)cccc3Cl)C2)cc1C ZINC000002919872 568816571 /nfs/dbraw/zinc/81/65/71/568816571.db2.gz YONLTQUUHQJCRB-JOCHJYFZSA-N 0 0 403.888 6.502 50 0 HKAARN COc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3nc4ccccc4n32)c1OC ZINC000002919888 568816860 /nfs/dbraw/zinc/81/68/60/568816860.db2.gz MKXDYEFKMOTBDG-QHCPKHFHSA-N 0 0 411.505 5.726 50 0 HKAARN COc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=Nc3nc4ccccc4n32)c1OC ZINC000002919891 568816741 /nfs/dbraw/zinc/81/67/41/568816741.db2.gz MKXDYEFKMOTBDG-HSZRJFAPSA-N 0 0 411.505 5.726 50 0 HKAARN COC(=O)c1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3nc4ccccc4n32)cc1 ZINC000002919894 568816845 /nfs/dbraw/zinc/81/68/45/568816845.db2.gz JSWPWDANFQSLGN-DEOSSOPVSA-N 0 0 409.489 5.496 50 0 HKAARN COC(=O)c1ccc([C@H]2CC(c3ccc(C)c(C)c3)=Nc3nc4ccccc4n32)cc1 ZINC000002919898 568816837 /nfs/dbraw/zinc/81/68/37/568816837.db2.gz JSWPWDANFQSLGN-XMMPIXPASA-N 0 0 409.489 5.496 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002920325 557427231 /nfs/dbraw/zinc/42/72/31/557427231.db2.gz NRAHEMFKQYSLRP-HXUWFJFHSA-N 0 0 424.526 5.038 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002920327 557427080 /nfs/dbraw/zinc/42/70/80/557427080.db2.gz NRAHEMFKQYSLRP-FQEVSTJZSA-N 0 0 424.526 5.038 50 0 HKAARN O=C1c2ccccc2-c2ccc(-c3[nH]c(-c4ccc(O)cc4)nc3-c3ccccc3)cc21 ZINC000002921293 557427223 /nfs/dbraw/zinc/42/72/23/557427223.db2.gz GCZSDOHLMWRHPT-UHFFFAOYSA-N 0 0 414.464 6.328 50 0 HKAARN COc1ccc(-c2nc(-c3cccc4ccccc43)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000002921398 557427087 /nfs/dbraw/zinc/42/70/87/557427087.db2.gz VDZXBXWYBHZWMQ-UHFFFAOYSA-N 0 0 406.485 6.581 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1Br ZINC000002921501 557427130 /nfs/dbraw/zinc/42/71/30/557427130.db2.gz ZZSCYONIFOFSLR-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1 ZINC000002921533 557427244 /nfs/dbraw/zinc/42/72/44/557427244.db2.gz WPUZHDVKGKWGEO-UHFFFAOYSA-N 0 0 414.508 6.950 50 0 HKAARN O=C(c1ccccc1)c1ccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccccc2)cc1 ZINC000002921535 557427156 /nfs/dbraw/zinc/42/71/56/557427156.db2.gz GRWRRRGNKVCDPH-UHFFFAOYSA-N 0 0 416.480 6.347 50 0 HKAARN O=C(c1ccccc1)c1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000002921540 557427117 /nfs/dbraw/zinc/42/71/17/557427117.db2.gz RPONNAFRIPQNDL-UHFFFAOYSA-N 0 0 418.471 6.781 50 0 HKAARN CCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)cc1 ZINC000002921817 568817021 /nfs/dbraw/zinc/81/70/21/568817021.db2.gz IROAFMIURRENLN-UHFFFAOYSA-N 0 0 415.562 6.303 50 0 HKAARN CCOc1ccccc1Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002921830 568816951 /nfs/dbraw/zinc/81/69/51/568816951.db2.gz YWHJAYWOGTVIDT-UHFFFAOYSA-N 0 0 415.562 6.303 50 0 HKAARN COc1ccc(C)cc1Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002921834 568816995 /nfs/dbraw/zinc/81/69/95/568816995.db2.gz YPVXNPWWFXDSKI-UHFFFAOYSA-N 0 0 415.562 6.222 50 0 HKAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1SCc1ccccc1F ZINC000002922025 568817075 /nfs/dbraw/zinc/81/70/75/568817075.db2.gz FQUGUOLCMPLQHL-UHFFFAOYSA-N 0 0 421.324 5.750 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cccnc1SCc1ccccc1Cl ZINC000002922038 568816972 /nfs/dbraw/zinc/81/69/72/568816972.db2.gz WUFFUKLJJFXCFT-UHFFFAOYSA-N 0 0 403.334 5.611 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1)c1cccnc1SCc1ccccc1Cl ZINC000002922040 568816925 /nfs/dbraw/zinc/81/69/25/568816925.db2.gz MURNCNWBQQVFIK-UHFFFAOYSA-N 0 0 417.361 5.653 50 0 HKAARN CCCCCCNC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000002922072 568816923 /nfs/dbraw/zinc/81/69/23/568816923.db2.gz GPAUYOIYYUCNHY-UHFFFAOYSA-N 0 0 407.377 5.447 50 0 HKAARN CCCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000002922088 557427163 /nfs/dbraw/zinc/42/71/63/557427163.db2.gz ZNSITSUHWFIZAH-LBPRGKRZSA-N 0 0 406.935 5.737 50 0 HKAARN CCCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000002922090 557427150 /nfs/dbraw/zinc/42/71/50/557427150.db2.gz ZNSITSUHWFIZAH-GFCCVEGCSA-N 0 0 406.935 5.737 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000002922292 557427220 /nfs/dbraw/zinc/42/72/20/557427220.db2.gz PFAMDSBOMZICIN-UHFFFAOYSA-N 0 0 420.434 6.790 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 ZINC000002922424 557772299 /nfs/dbraw/zinc/77/22/99/557772299.db2.gz KZPKAOSCOWTFSU-UHFFFAOYSA-N 0 0 421.327 7.078 50 0 HKAARN COc1cccc(CNC(=O)CCc2cn(Cc3ccc(C)cc3)c3ccccc23)c1 ZINC000002923044 568816942 /nfs/dbraw/zinc/81/69/42/568816942.db2.gz PMHRKJUQBWUCKT-UHFFFAOYSA-N 0 0 412.533 5.256 50 0 biogenic HKAARN Cc1ccc(Cn2cc(CCC(=O)NC3CCCCCCC3)c3ccccc32)cc1 ZINC000002923069 568817005 /nfs/dbraw/zinc/81/70/05/568817005.db2.gz KOUVHVULPQTICT-UHFFFAOYSA-N 0 0 402.582 6.160 50 0 HKAARN Cc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002923093 568817077 /nfs/dbraw/zinc/81/70/77/568817077.db2.gz ONHIERDFHDIUEK-UHFFFAOYSA-N 0 0 400.309 5.931 50 0 HKAARN CCCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002923641 557427211 /nfs/dbraw/zinc/42/72/11/557427211.db2.gz XFZJTWISSZDBRZ-SFHVURJKSA-N 0 0 401.765 6.035 50 0 HKAARN CCCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002923643 557427552 /nfs/dbraw/zinc/42/75/52/557427552.db2.gz XFZJTWISSZDBRZ-GOSISDBHSA-N 0 0 401.765 6.035 50 0 HKAARN COc1ccccc1C(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002923648 557772508 /nfs/dbraw/zinc/77/25/08/557772508.db2.gz NLXIUIXMDLDORS-IBGZPJMESA-N 0 0 423.727 5.387 50 0 HKAARN COc1ccccc1C(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002923651 557772511 /nfs/dbraw/zinc/77/25/11/557772511.db2.gz NLXIUIXMDLDORS-LJQANCHMSA-N 0 0 423.727 5.387 50 0 HKAARN O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002923690 557427480 /nfs/dbraw/zinc/42/74/80/557427480.db2.gz WAOVTTBSVLAYAA-AWEZNQCLSA-N 0 0 412.531 5.532 50 0 HKAARN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002923692 557427473 /nfs/dbraw/zinc/42/74/73/557427473.db2.gz WAOVTTBSVLAYAA-CQSZACIVSA-N 0 0 412.531 5.532 50 0 HKAARN C[C@@H](c1ccccn1)N(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000002923836 568817181 /nfs/dbraw/zinc/81/71/81/568817181.db2.gz AZXKMOULTDGISV-HNNXBMFYSA-N 0 0 407.505 6.193 50 0 HKAARN C[C@H](c1ccccn1)N(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000002923838 568817246 /nfs/dbraw/zinc/81/72/46/568817246.db2.gz AZXKMOULTDGISV-OAHLLOKOSA-N 0 0 407.505 6.193 50 0 HKAARN O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000002923939 568817146 /nfs/dbraw/zinc/81/71/46/568817146.db2.gz HLXVICSCVQDUKG-JOCHJYFZSA-N 0 0 410.945 5.266 50 0 HKAARN O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000002923940 568817239 /nfs/dbraw/zinc/81/72/39/568817239.db2.gz HLXVICSCVQDUKG-QFIPXVFZSA-N 0 0 410.945 5.266 50 0 HKAARN CC[C@@H](C)NC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002923993 568817230 /nfs/dbraw/zinc/81/72/30/568817230.db2.gz KGTJMWJQPVQPRJ-SNVBAGLBSA-N 0 0 414.720 5.819 50 0 HKAARN CC[C@H](C)NC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002923995 568817203 /nfs/dbraw/zinc/81/72/03/568817203.db2.gz KGTJMWJQPVQPRJ-JTQLQIEISA-N 0 0 414.720 5.819 50 0 HKAARN CCCCNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002924002 568817135 /nfs/dbraw/zinc/81/71/35/568817135.db2.gz DPBHNQSVLVZXDJ-UHFFFAOYSA-N 0 0 414.720 5.821 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000002924052 132259710 /nfs/dbraw/zinc/25/97/10/132259710.db2.gz YLJDSFRAYKMMOK-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000002924061 132259696 /nfs/dbraw/zinc/25/96/96/132259696.db2.gz SPUFRQUQRLSUHR-UHFFFAOYSA-N 0 0 418.925 5.343 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924156 132259754 /nfs/dbraw/zinc/25/97/54/132259754.db2.gz VYMSXQSHNZBWJX-GFCCVEGCSA-N 0 0 400.935 5.284 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924157 132259720 /nfs/dbraw/zinc/25/97/20/132259720.db2.gz VYMSXQSHNZBWJX-LBPRGKRZSA-N 0 0 400.935 5.284 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924178 132259759 /nfs/dbraw/zinc/25/97/59/132259759.db2.gz VIESAERRWJIQAX-LLVKDONJSA-N 0 0 418.925 5.423 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924179 132259738 /nfs/dbraw/zinc/25/97/38/132259738.db2.gz VIESAERRWJIQAX-NSHDSACASA-N 0 0 418.925 5.423 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924336 132259725 /nfs/dbraw/zinc/25/97/25/132259725.db2.gz YTRUZJWRBNPXAA-CYBMUJFWSA-N 0 0 412.534 5.387 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(C)nc(N3CCCC[C@@H]3C)c12 ZINC000002924339 132259767 /nfs/dbraw/zinc/25/97/67/132259767.db2.gz YTRUZJWRBNPXAA-ZDUSSCGKSA-N 0 0 412.534 5.387 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924350 132259744 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CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000002929638 568818180 /nfs/dbraw/zinc/81/81/80/568818180.db2.gz KEHAZWOLJZLICH-UHFFFAOYSA-N 0 0 421.497 5.362 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000002929672 568818170 /nfs/dbraw/zinc/81/81/70/568818170.db2.gz AWZQPQVVWXCJKI-UHFFFAOYSA-N 0 0 422.500 5.425 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C)c2)c1C ZINC000002929680 568818167 /nfs/dbraw/zinc/81/81/67/568818167.db2.gz HVUPHYILEALJTB-UHFFFAOYSA-N 0 0 408.473 5.117 50 0 HKAARN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000002929749 557771570 /nfs/dbraw/zinc/77/15/70/557771570.db2.gz YJANUIXKPBHGBD-KPKJPENVSA-N 0 0 423.299 6.762 50 0 HKAARN CCOc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)cc1 ZINC000002929820 568818344 /nfs/dbraw/zinc/81/83/44/568818344.db2.gz PSMQXCDYMAUVBW-UHFFFAOYSA-N 0 0 408.473 5.233 50 0 HKAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000002929845 568818354 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ZINC000002943030 557429312 /nfs/dbraw/zinc/42/93/12/557429312.db2.gz IPPSEINEIPEFSI-QHCPKHFHSA-N 0 0 403.312 6.918 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002943453 557429318 /nfs/dbraw/zinc/42/93/18/557429318.db2.gz XJQIOTHFWKYHKL-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN CSc1nc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2s1 ZINC000002943474 557429308 /nfs/dbraw/zinc/42/93/08/557429308.db2.gz UGOXSDQPFJLVAK-UHFFFAOYSA-N 0 0 403.579 5.359 50 0 HKAARN O=C(NCCOc1ccccc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002943648 557429613 /nfs/dbraw/zinc/42/96/13/557429613.db2.gz ITQJPIVYRUVAHJ-UHFFFAOYSA-N 0 0 415.917 5.580 50 0 HKAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(CSCc2ccccc2Cl)o1 ZINC000002943807 568819748 /nfs/dbraw/zinc/81/97/48/568819748.db2.gz WKJJMVZTUVIKNJ-UHFFFAOYSA-N 0 0 424.324 6.089 50 0 HKAARN CC(C)(C)c1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2O)c(O)c1 ZINC000002944583 568819783 /nfs/dbraw/zinc/81/97/83/568819783.db2.gz DXNIZKHTTNKSDQ-UHFFFAOYSA-N 0 0 402.531 5.167 50 0 HKAARN COc1ccc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)cc1OC ZINC000002944942 568819820 /nfs/dbraw/zinc/81/98/20/568819820.db2.gz MRTFTFDIRWGQNP-GPGQUUKWSA-N 0 0 404.249 5.020 50 0 HKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1coc2ccccc2c1=O ZINC000002945036 568819806 /nfs/dbraw/zinc/81/98/06/568819806.db2.gz NEMCTZDNTBZRFH-GMCRPGLXSA-N 0 0 412.228 5.109 50 0 biogenic HKAARN COc1ccc(/C=C2\N=C(/C=C/c3ccc(Cl)cc3Cl)OC2=O)c(OC)c1 ZINC000002945195 568819718 /nfs/dbraw/zinc/81/97/18/568819718.db2.gz PBFPMPABYBOKLB-WIXUPIFPSA-N 0 0 404.249 5.020 50 0 HKAARN O=C1OC(/C=C/c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1C(F)(F)F ZINC000002945213 568819729 /nfs/dbraw/zinc/81/97/29/568819729.db2.gz IVTHNYDMFVTAFN-CRQDHZRMSA-N 0 0 412.194 6.022 50 0 HKAARN COc1ccc(OC)c(/C=C2\N=C(/C=C/c3ccc(Cl)cc3Cl)OC2=O)c1 ZINC000002945228 568819757 /nfs/dbraw/zinc/81/97/57/568819757.db2.gz YZKHNHLBIBEZPP-KCTVJHQVSA-N 0 0 404.249 5.020 50 0 HKAARN O=C1OC(/C=C/c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(Br)c1 ZINC000002945241 568819767 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Cc1ccccc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000002945844 557429524 /nfs/dbraw/zinc/42/95/24/557429524.db2.gz UDQCROOMPMOVCP-UHFFFAOYSA-N 0 0 402.457 6.180 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 ZINC000002945953 557429632 /nfs/dbraw/zinc/42/96/32/557429632.db2.gz VGBNSUPTEBWWFR-UHFFFAOYSA-N 0 0 406.507 5.140 50 0 HKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000002946196 557429565 /nfs/dbraw/zinc/42/95/65/557429565.db2.gz JISNYSWMQVOREC-UHFFFAOYSA-N 0 0 406.913 5.772 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002946356 557429548 /nfs/dbraw/zinc/42/95/48/557429548.db2.gz METLTICEVFWRPR-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000002946570 557429579 /nfs/dbraw/zinc/42/95/79/557429579.db2.gz RGRQLFKOLOWOLE-UHFFFAOYSA-N 0 0 404.897 6.453 50 0 HKAARN O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(Cl)cc1Cl ZINC000002946585 568819917 /nfs/dbraw/zinc/81/99/17/568819917.db2.gz AOJBZNKDOCYHMJ-UHFFFAOYSA-N 0 0 423.679 5.851 50 0 HKAARN Cc1ccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c(C)c1 ZINC000002946716 557773631 /nfs/dbraw/zinc/77/36/31/557773631.db2.gz PIKPCYKIIGLGRP-QJOMJCCJSA-N 0 0 413.473 5.106 50 0 HKAARN Cc1ccccc1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl ZINC000002946726 557429507 /nfs/dbraw/zinc/42/95/07/557429507.db2.gz FRGZJCHOWWWVQU-UHFFFAOYSA-N 0 0 404.897 6.832 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000002947124 557429827 /nfs/dbraw/zinc/42/98/27/557429827.db2.gz WBVZRYIWKYVVFQ-UHFFFAOYSA-N 0 0 416.502 5.650 50 0 HKAARN CCCCOc1ccc(C2=NC(=CNc3ccc(OC(F)(F)F)cc3)C(=O)O2)cc1 ZINC000002947156 568819971 /nfs/dbraw/zinc/81/99/71/568819971.db2.gz MOTZYURNROLGGA-AQTBWJFISA-N 0 0 420.387 5.021 50 0 HKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)cc(Cl)c1 ZINC000002947427 568819902 /nfs/dbraw/zinc/81/99/02/568819902.db2.gz MGQAXQQHGHYVSJ-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1cc(Cl)cc(Cl)c1 ZINC000002947429 568819911 /nfs/dbraw/zinc/81/99/11/568819911.db2.gz MGQAXQQHGHYVSJ-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000002947434 568819961 /nfs/dbraw/zinc/81/99/61/568819961.db2.gz DUGCBYLDSFXWQX-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000002947436 568819935 /nfs/dbraw/zinc/81/99/35/568819935.db2.gz DUGCBYLDSFXWQX-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1cccc(C(F)(F)F)c1 ZINC000002947448 557429908 /nfs/dbraw/zinc/42/99/08/557429908.db2.gz ATAYLHXROYPCGI-HNNXBMFYSA-N 0 0 402.235 5.247 50 0 HKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1cccc(C(F)(F)F)c1 ZINC000002947449 557429920 /nfs/dbraw/zinc/42/99/20/557429920.db2.gz ATAYLHXROYPCGI-OAHLLOKOSA-N 0 0 402.235 5.247 50 0 HKAARN O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000002947499 568819947 /nfs/dbraw/zinc/81/99/47/568819947.db2.gz KKINEECFNPHSDZ-NRFANRHFSA-N 0 0 416.329 6.564 50 0 HKAARN O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000002947500 568819896 /nfs/dbraw/zinc/81/98/96/568819896.db2.gz KKINEECFNPHSDZ-OAQYLSRUSA-N 0 0 416.329 6.564 50 0 HKAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000002947515 568819979 /nfs/dbraw/zinc/81/99/79/568819979.db2.gz NQRQMGCNGDXAID-JOCHJYFZSA-N 0 0 411.910 5.920 50 0 HKAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000002947517 568819999 /nfs/dbraw/zinc/81/99/99/568819999.db2.gz NQRQMGCNGDXAID-QFIPXVFZSA-N 0 0 411.910 5.920 50 0 HKAARN O=C1CS[C@@H](c2ccccc2Br)N1c1cc(Cl)cc(Cl)c1 ZINC000002947539 568819953 /nfs/dbraw/zinc/81/99/53/568819953.db2.gz KHEGGPPJANYWQC-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@H](c2ccccc2Br)N1c1cc(Cl)cc(Cl)c1 ZINC000002947542 568819923 /nfs/dbraw/zinc/81/99/23/568819923.db2.gz KHEGGPPJANYWQC-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2ccccc2Br)N1c1ccc(Cl)c(Cl)c1 ZINC000002947543 568819995 /nfs/dbraw/zinc/81/99/95/568819995.db2.gz AFGJFKMRNLMUQJ-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@H](c2ccccc2Br)N1c1ccc(Cl)c(Cl)c1 ZINC000002947546 568819913 /nfs/dbraw/zinc/81/99/13/568819913.db2.gz AFGJFKMRNLMUQJ-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2ccccc2Br)N1c1cccc(C(F)(F)F)c1 ZINC000002947565 568819933 /nfs/dbraw/zinc/81/99/33/568819933.db2.gz HERQZPGJKRFISM-HNNXBMFYSA-N 0 0 402.235 5.247 50 0 HKAARN O=C1CS[C@H](c2ccccc2Br)N1c1cccc(C(F)(F)F)c1 ZINC000002947566 568820007 /nfs/dbraw/zinc/82/00/07/568820007.db2.gz HERQZPGJKRFISM-OAHLLOKOSA-N 0 0 402.235 5.247 50 0 HKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000002948096 557429940 /nfs/dbraw/zinc/42/99/40/557429940.db2.gz QSNPHIMDFOGRRL-UHFFFAOYSA-N 0 0 424.953 5.957 50 0 HKAARN Cc1cccc(C)c1NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 ZINC000002948129 568820092 /nfs/dbraw/zinc/82/00/92/568820092.db2.gz QHYXSFPZHBSPLI-UHFFFAOYSA-N 0 0 403.507 5.689 50 0 HKAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000002948131 568820132 /nfs/dbraw/zinc/82/01/32/568820132.db2.gz UDGSBJVIAYPNIL-UHFFFAOYSA-N 0 0 403.507 5.634 50 0 HKAARN Cc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000002948135 568820130 /nfs/dbraw/zinc/82/01/30/568820130.db2.gz UODJFWMCNUDULK-UHFFFAOYSA-N 0 0 403.507 5.058 50 0 HKAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)c1 ZINC000002948138 568820297 /nfs/dbraw/zinc/82/02/97/568820297.db2.gz JUZKHRWGCNUTKC-UHFFFAOYSA-N 0 0 403.507 5.689 50 0 HKAARN C[C@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2)c1ccccc1 ZINC000002948141 568820334 /nfs/dbraw/zinc/82/03/34/568820334.db2.gz SYNWYZDWCNGKSB-HNNXBMFYSA-N 0 0 403.507 5.311 50 0 HKAARN C[C@@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2)c1ccccc1 ZINC000002948143 568820294 /nfs/dbraw/zinc/82/02/94/568820294.db2.gz SYNWYZDWCNGKSB-OAHLLOKOSA-N 0 0 403.507 5.311 50 0 HKAARN CCc1ccccc1NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948275 568820321 /nfs/dbraw/zinc/82/03/21/568820321.db2.gz RMOHSKMIMGDHGA-UHFFFAOYSA-N 0 0 416.550 5.097 50 0 aggregator HKAARN Cc1cc(N2C(=O)CS[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000002948407 568820309 /nfs/dbraw/zinc/82/03/09/568820309.db2.gz IQTZZZYSOXYNRA-LJQANCHMSA-N 0 0 404.373 5.834 50 0 HKAARN Cc1cc(N2C(=O)CS[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000002948409 568820314 /nfs/dbraw/zinc/82/03/14/568820314.db2.gz IQTZZZYSOXYNRA-IBGZPJMESA-N 0 0 404.373 5.834 50 0 HKAARN CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002948412 568820333 /nfs/dbraw/zinc/82/03/33/568820333.db2.gz PQOZGFKEMQBDTK-DEOSSOPVSA-N 0 0 403.547 6.555 50 0 HKAARN CC(C)(C)c1ccc([C@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002948414 568820324 /nfs/dbraw/zinc/82/03/24/568820324.db2.gz PQOZGFKEMQBDTK-XMMPIXPASA-N 0 0 403.547 6.555 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 ZINC000002948447 568820318 /nfs/dbraw/zinc/82/03/18/568820318.db2.gz CCMWGQGCIWLZNM-UHFFFAOYSA-N 0 0 404.491 5.308 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000002948464 568820301 /nfs/dbraw/zinc/82/03/01/568820301.db2.gz PJWBNJFGUONVPI-VGSWGCGISA-N 0 0 420.578 6.093 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000002948465 568820325 /nfs/dbraw/zinc/82/03/25/568820325.db2.gz PJWBNJFGUONVPI-VGOFRKELSA-N 0 0 420.578 6.093 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002948466 568820327 /nfs/dbraw/zinc/82/03/27/568820327.db2.gz PJWBNJFGUONVPI-JTSKRJEESA-N 0 0 420.578 6.093 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002948469 568820287 /nfs/dbraw/zinc/82/02/87/568820287.db2.gz PJWBNJFGUONVPI-HTAPYJJXSA-N 0 0 420.578 6.093 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cc1 ZINC000002948471 568820295 /nfs/dbraw/zinc/82/02/95/568820295.db2.gz RLZSTNWRNQOQKX-UHFFFAOYSA-N 0 0 415.518 5.110 50 0 HKAARN CCOc1ccc(Sc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1 ZINC000002948479 568820289 /nfs/dbraw/zinc/82/02/89/568820289.db2.gz KJPRKHKVVONHAL-UHFFFAOYSA-N 0 0 406.551 5.847 50 0 HKAARN COCCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948502 568820329 /nfs/dbraw/zinc/82/03/29/568820329.db2.gz WIPAEVVVIYDWER-UHFFFAOYSA-N 0 0 420.456 5.171 50 0 HKAARN CC[C@@H](C)NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948511 568820293 /nfs/dbraw/zinc/82/02/93/568820293.db2.gz RULRZCBSORRVEJ-CYBMUJFWSA-N 0 0 404.457 5.933 50 0 HKAARN CC[C@H](C)NC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948512 568820328 /nfs/dbraw/zinc/82/03/28/568820328.db2.gz RULRZCBSORRVEJ-ZDUSSCGKSA-N 0 0 404.457 5.933 50 0 HKAARN CCCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948517 568820290 /nfs/dbraw/zinc/82/02/90/568820290.db2.gz OBIVKBGFPNYHIN-UHFFFAOYSA-N 0 0 404.457 5.935 50 0 HKAARN O=C(NC1CCCC1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000002948521 568820286 /nfs/dbraw/zinc/82/02/86/568820286.db2.gz KCAKOSQDMFKTMY-UHFFFAOYSA-N 0 0 416.468 6.077 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000002948544 557429857 /nfs/dbraw/zinc/42/98/57/557429857.db2.gz 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/nfs/dbraw/zinc/82/05/08/568820508.db2.gz MVPHWYKWWYKCAB-UHFFFAOYSA-N 0 0 405.498 5.682 50 0 HKAARN COc1ccc(CNc2nc(SCc3ccccc3Cl)nc3ccccc32)cc1 ZINC000002948828 568820504 /nfs/dbraw/zinc/82/05/04/568820504.db2.gz MXGAKYQLYSUERI-UHFFFAOYSA-N 0 0 421.953 6.196 50 0 HKAARN COc1ccc(CNc2nc(SCc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002948830 568820517 /nfs/dbraw/zinc/82/05/17/568820517.db2.gz XQRVMWUEJAHFGG-UHFFFAOYSA-N 0 0 421.953 6.196 50 0 HKAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000002948846 568820537 /nfs/dbraw/zinc/82/05/37/568820537.db2.gz SAMPNVSLLWWGGS-UHFFFAOYSA-N 0 0 407.445 5.627 50 0 HKAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000002948865 568820536 /nfs/dbraw/zinc/82/05/36/568820536.db2.gz OSSLNXRSSZTDIN-UHFFFAOYSA-N 0 0 423.900 6.141 50 0 HKAARN O=C(CSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1)c1ccccc1 ZINC000002948902 568820500 /nfs/dbraw/zinc/82/05/00/568820500.db2.gz CKALQNVJYWMBOY-UHFFFAOYSA-N 0 0 415.474 5.077 50 0 HKAARN Fc1cccc(CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000002948909 568820535 /nfs/dbraw/zinc/82/05/35/568820535.db2.gz ZDDHKWYJQPQCHQ-UHFFFAOYSA-N 0 0 405.454 5.534 50 0 HKAARN Fc1ccccc1CSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1 ZINC000002948921 568820502 /nfs/dbraw/zinc/82/05/02/568820502.db2.gz YCWHFPVTYREUPD-UHFFFAOYSA-N 0 0 405.454 5.534 50 0 HKAARN Clc1ccc(CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000002948936 568820505 /nfs/dbraw/zinc/82/05/05/568820505.db2.gz YXRCQPAWTDRVAC-UHFFFAOYSA-N 0 0 421.909 6.048 50 0 HKAARN Clc1cccc(CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000002948938 568820521 /nfs/dbraw/zinc/82/05/21/568820521.db2.gz RPHUEUFZHPIVGX-UHFFFAOYSA-N 0 0 421.909 6.048 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000002948943 568820494 /nfs/dbraw/zinc/82/04/94/568820494.db2.gz MGOMNFFTIZXVSY-QGZVFWFLSA-N 0 0 422.598 5.851 50 0 HKAARN CCCC[C@H](CC)CNC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000002948944 568820532 /nfs/dbraw/zinc/82/05/32/568820532.db2.gz 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/nfs/dbraw/zinc/42/98/23/557429823.db2.gz KUWBLWBMWZWQGP-UHFFFAOYSA-N 0 0 405.935 6.711 50 0 HKAARN CCCCN(C)C(=O)CSc1nc2ccccc2c(Nc2ccc(F)c(F)c2)n1 ZINC000002949038 568820486 /nfs/dbraw/zinc/82/04/86/568820486.db2.gz GDQWQWUGHBXSKC-UHFFFAOYSA-N 0 0 416.497 5.002 50 0 HKAARN COc1cc(Nc2nc(SCc3ccccc3F)nc3ccccc32)cc(OC)c1 ZINC000002949061 568820533 /nfs/dbraw/zinc/82/05/33/568820533.db2.gz JRONILLZYAJBMA-UHFFFAOYSA-N 0 0 421.497 5.822 50 0 HKAARN Cc1ccc2nc(-c3ccc(Nc4[nH]c(=S)nc5ccccc54)cc3)sc2c1 ZINC000002949109 568820510 /nfs/dbraw/zinc/82/05/10/568820510.db2.gz BQYVSAINTUVPSC-UHFFFAOYSA-N 0 0 400.532 6.621 50 0 HKAARN Cc1cc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)ccc1Br ZINC000002949386 558985139 /nfs/dbraw/zinc/98/51/39/558985139.db2.gz ZTFHMWXVBHJEDM-MRXNPFEDSA-N 0 0 417.155 5.843 50 0 HKAARN Cc1cc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)ccc1Br ZINC000002949387 558985190 /nfs/dbraw/zinc/98/51/90/558985190.db2.gz ZTFHMWXVBHJEDM-INIZCTEOSA-N 0 0 417.155 5.843 50 0 HKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949389 568820490 /nfs/dbraw/zinc/82/04/90/568820490.db2.gz PFUYZHOJKAQBJZ-OAQYLSRUSA-N 0 0 416.329 6.564 50 0 HKAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949392 568820522 /nfs/dbraw/zinc/82/05/22/568820522.db2.gz PFUYZHOJKAQBJZ-NRFANRHFSA-N 0 0 416.329 6.564 50 0 HKAARN O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949439 568820529 /nfs/dbraw/zinc/82/05/29/568820529.db2.gz FWANRYQWNUYIDV-OAQYLSRUSA-N 0 0 417.864 6.189 50 0 HKAARN O=C1CS[C@@H](c2ccc(F)c(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002949442 568820525 /nfs/dbraw/zinc/82/05/25/568820525.db2.gz FWANRYQWNUYIDV-NRFANRHFSA-N 0 0 417.864 6.189 50 0 HKAARN Cc1cc(N2C(=O)CS[C@@H]2c2cccc(C(F)(F)F)c2)ccc1Br ZINC000002949470 568820512 /nfs/dbraw/zinc/82/05/12/568820512.db2.gz VHDXXICJRFQVIG-MRXNPFEDSA-N 0 0 416.262 5.555 50 0 HKAARN Cc1cc(N2C(=O)CS[C@H]2c2cccc(C(F)(F)F)c2)ccc1Br ZINC000002949472 568820524 /nfs/dbraw/zinc/82/05/24/568820524.db2.gz VHDXXICJRFQVIG-INIZCTEOSA-N 0 0 416.262 5.555 50 0 HKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949473 568820518 /nfs/dbraw/zinc/82/05/18/568820518.db2.gz YDPBADOQNCQZMA-OAQYLSRUSA-N 0 0 415.436 6.276 50 0 HKAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949476 568820496 /nfs/dbraw/zinc/82/04/96/568820496.db2.gz YDPBADOQNCQZMA-NRFANRHFSA-N 0 0 415.436 6.276 50 0 HKAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Br)cc1 ZINC000002949505 568820678 /nfs/dbraw/zinc/82/06/78/568820678.db2.gz CNNSLGYSRUFKLV-HNNXBMFYSA-N 0 0 402.235 5.247 50 0 HKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Br)cc1 ZINC000002949506 568820720 /nfs/dbraw/zinc/82/07/20/568820720.db2.gz CNNSLGYSRUFKLV-OAHLLOKOSA-N 0 0 402.235 5.247 50 0 HKAARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002949544 568820683 /nfs/dbraw/zinc/82/06/83/568820683.db2.gz VGSQHYRVIUATIT-JOCHJYFZSA-N 0 0 411.910 5.920 50 0 HKAARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002949546 568820716 /nfs/dbraw/zinc/82/07/16/568820716.db2.gz VGSQHYRVIUATIT-QFIPXVFZSA-N 0 0 411.910 5.920 50 0 HKAARN COc1ccc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000002949586 568820702 /nfs/dbraw/zinc/82/07/02/568820702.db2.gz YGBKQGRFTFEJQN-QFIPXVFZSA-N 0 0 411.910 5.920 50 0 HKAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000002949587 568820675 /nfs/dbraw/zinc/82/06/75/568820675.db2.gz YGBKQGRFTFEJQN-JOCHJYFZSA-N 0 0 411.910 5.920 50 0 HKAARN O=C1CS[C@H](c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949681 568820722 /nfs/dbraw/zinc/82/07/22/568820722.db2.gz BLBPRFIRRMSBTB-OAQYLSRUSA-N 0 0 413.445 5.859 50 0 HKAARN O=C1CS[C@@H](c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949683 568820699 /nfs/dbraw/zinc/82/06/99/568820699.db2.gz BLBPRFIRRMSBTB-NRFANRHFSA-N 0 0 413.445 5.859 50 0 HKAARN CCCCCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000002949697 568820665 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Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1C ZINC000002950142 557430190 /nfs/dbraw/zinc/43/01/90/557430190.db2.gz WMTMWVYROVYKDG-UHFFFAOYSA-N 0 0 414.530 6.356 50 0 HKAARN Cc1cccc(NC(=O)c2ccccc2Br)c1NC(=O)c1ccccc1 ZINC000002950403 568828877 /nfs/dbraw/zinc/82/88/77/568828877.db2.gz STGZHYVGUMKRPJ-UHFFFAOYSA-N 0 0 409.283 5.262 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1Br ZINC000002950411 568828967 /nfs/dbraw/zinc/82/89/67/568828967.db2.gz IHLFYZARFYRSAS-UHFFFAOYSA-N 0 0 409.283 5.262 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000002950442 568828871 /nfs/dbraw/zinc/82/88/71/568828871.db2.gz BRROWQOCBLFQLF-UHFFFAOYSA-N 0 0 420.921 6.707 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2C)s1 ZINC000002950444 557774491 /nfs/dbraw/zinc/77/44/91/557774491.db2.gz XJJZRDDZCRVUTK-UHFFFAOYSA-N 0 0 410.886 5.383 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC12C[C@@H]3C[C@H](C1)CC(C(C)C)(C3)C2 ZINC000002950446 568828969 /nfs/dbraw/zinc/82/89/69/568828969.db2.gz OOPMHHMKMWWRTD-UPFYTXMWSA-N 0 0 412.961 6.028 50 0 HKAARN Fc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3nc2-c2ccc(F)cc2)cc1 ZINC000002950562 568726883 /nfs/dbraw/zinc/72/68/83/568726883.db2.gz CWIBBUAULCRGEW-UHFFFAOYSA-N 0 0 420.768 6.914 50 0 HKAARN Cc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3nc2-c2ccc(C)cc2)cc1 ZINC000002950590 568828936 /nfs/dbraw/zinc/82/89/36/568828936.db2.gz BQZBOUFLEWWQLJ-UHFFFAOYSA-N 0 0 414.508 6.812 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)o1 ZINC000002950716 557430057 /nfs/dbraw/zinc/43/00/57/557430057.db2.gz LZAPBHAAGIGMGH-UHFFFAOYSA-N 0 0 402.088 5.332 50 0 HKAARN Fc1cc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2cc1Cl ZINC000002950826 568828893 /nfs/dbraw/zinc/82/88/93/568828893.db2.gz IRSZCXUXOKYDJY-UHFFFAOYSA-N 0 0 403.671 7.063 50 0 HKAARN COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000002950829 568828976 /nfs/dbraw/zinc/82/89/76/568828976.db2.gz XREYCDAWKRLTJF-UHFFFAOYSA-N 0 0 409.272 6.057 50 0 HKAARN O=C(c1ccccc1)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1 ZINC000002950838 568828933 /nfs/dbraw/zinc/82/89/33/568828933.db2.gz KWSNOVSEDKFHDJ-UHFFFAOYSA-N 0 0 422.434 6.473 50 0 HKAARN Fc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3nc2-c2cccc(F)c2)c1 ZINC000002950855 568828885 /nfs/dbraw/zinc/82/88/85/568828885.db2.gz VBRAEKSHNIDIHY-UHFFFAOYSA-N 0 0 420.768 6.914 50 0 HKAARN O=C(NC1CCCCC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002950968 568828853 /nfs/dbraw/zinc/82/88/53/568828853.db2.gz LVUJZZWIVZDLOR-UHFFFAOYSA-N 0 0 419.575 6.149 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002950998 557430075 /nfs/dbraw/zinc/43/00/75/557430075.db2.gz JNBVDUDYHNOSEU-AREMUKBSSA-N 0 0 409.554 6.426 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002951000 557430162 /nfs/dbraw/zinc/43/01/62/557430162.db2.gz JNBVDUDYHNOSEU-SANMLTNESA-N 0 0 409.554 6.426 50 0 HKAARN CC(C)CCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002951002 568828831 /nfs/dbraw/zinc/82/88/31/568828831.db2.gz HEAKMCFRHFZUPD-UHFFFAOYSA-N 0 0 407.564 5.863 50 0 HKAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1Cl ZINC000002951009 132260349 /nfs/dbraw/zinc/26/03/49/132260349.db2.gz DDRISYCAPOIVJL-UHFFFAOYSA-N 0 0 408.354 5.111 50 0 HKAARN CCCCCCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000002951029 568828907 /nfs/dbraw/zinc/82/89/07/568828907.db2.gz WEOZQFBBAJTMDE-UHFFFAOYSA-N 0 0 421.591 6.397 50 0 HKAARN O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951083 568828843 /nfs/dbraw/zinc/82/88/43/568828843.db2.gz PNWLIGGQZQMFPW-UHFFFAOYSA-N 0 0 409.445 5.122 50 0 aggregator HKAARN CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000002951103 557430159 /nfs/dbraw/zinc/43/01/59/557430159.db2.gz XLIGVGNYTPBZCE-UHFFFAOYSA-N 0 0 408.885 5.633 50 0 HKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1Cl ZINC000002951105 557430104 /nfs/dbraw/zinc/43/01/04/557430104.db2.gz XPHBKUFWVABBBG-UHFFFAOYSA-N 0 0 423.950 5.744 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000002951109 568828846 /nfs/dbraw/zinc/82/88/46/568828846.db2.gz RCCZHNNPBXVEBC-UHFFFAOYSA-N 0 0 409.445 5.388 50 0 HKAARN Cc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000002951118 568829060 /nfs/dbraw/zinc/82/90/60/568829060.db2.gz PLWIYHLJKKRLEZ-UHFFFAOYSA-N 0 0 423.472 5.431 50 0 HKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951121 568829058 /nfs/dbraw/zinc/82/90/58/568829058.db2.gz FRLIBDMTKPIDNX-DOTOQJQBSA-N 0 0 401.466 5.458 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951123 568829054 /nfs/dbraw/zinc/82/90/54/568829054.db2.gz FRLIBDMTKPIDNX-NVXWUHKLSA-N 0 0 401.466 5.458 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951125 568829083 /nfs/dbraw/zinc/82/90/83/568829083.db2.gz FRLIBDMTKPIDNX-RDJZCZTQSA-N 0 0 401.466 5.458 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002951127 568829157 /nfs/dbraw/zinc/82/91/57/568829157.db2.gz FRLIBDMTKPIDNX-WBVHZDCISA-N 0 0 401.466 5.458 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000002951164 557430082 /nfs/dbraw/zinc/43/00/82/557430082.db2.gz UMNNIXLNAUJSKT-UHFFFAOYSA-N 0 0 412.127 5.739 50 0 HKAARN COc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nccs1 ZINC000002951202 568829017 /nfs/dbraw/zinc/82/90/17/568829017.db2.gz BJBALZGNTCRKFH-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 ZINC000002951208 557774442 /nfs/dbraw/zinc/77/44/42/557774442.db2.gz GNYUATGGJKBJAJ-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000002951226 557774509 /nfs/dbraw/zinc/77/45/09/557774509.db2.gz FHYDUALEGSFJAI-GFMRDNFCSA-N 0 0 409.898 5.590 50 0 HKAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 ZINC000002951229 557774433 /nfs/dbraw/zinc/77/44/33/557774433.db2.gz YXKFTXMYGATEIN-GFMRDNFCSA-N 0 0 409.898 5.590 50 0 HKAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1C ZINC000002951235 557774512 /nfs/dbraw/zinc/77/45/12/557774512.db2.gz KZOCWRNNOFDIPC-GFMRDNFCSA-N 0 0 409.898 5.644 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c(C)c1 ZINC000002951237 557774712 /nfs/dbraw/zinc/77/47/12/557774712.db2.gz WTUNDJJDMNPRMX-GFMRDNFCSA-N 0 0 409.898 5.644 50 0 HKAARN Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000002951240 557774701 /nfs/dbraw/zinc/77/47/01/557774701.db2.gz BIFOVVSXNFKDGV-GFMRDNFCSA-N 0 0 409.898 5.644 50 0 HKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000002951279 557774723 /nfs/dbraw/zinc/77/47/23/557774723.db2.gz MNNFSCMHFGILLN-BWAHOGKJSA-N 0 0 415.396 5.393 50 0 HKAARN CCn1c(=O)c2c(nc1SCc1ccccc1)sc1c2CCc2ccccc2-1 ZINC000002951292 557430165 /nfs/dbraw/zinc/43/01/65/557430165.db2.gz UVCLEAHIPOZXCZ-UHFFFAOYSA-N 0 0 404.560 5.536 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000002951294 557430199 /nfs/dbraw/zinc/43/01/99/557430199.db2.gz WJCJVSBDNIUDJC-UHFFFAOYSA-N 0 0 402.121 6.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3Cl)oc21 ZINC000002951374 557774714 /nfs/dbraw/zinc/77/47/14/557774714.db2.gz HWBTVFDSIFPWND-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3)oc21 ZINC000002951376 557774742 /nfs/dbraw/zinc/77/47/42/557774742.db2.gz PQNYMXXBTYFVSN-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3)oc21 ZINC000002951378 557774725 /nfs/dbraw/zinc/77/47/25/557774725.db2.gz XMFABYHGHOJMKN-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3C)oc21 ZINC000002951425 568829172 /nfs/dbraw/zinc/82/91/72/568829172.db2.gz ZRZRINHDJPYUHY-FLFQWRMESA-N 0 0 405.479 5.081 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(CC)c3)oc21 ZINC000002951452 568829107 /nfs/dbraw/zinc/82/91/07/568829107.db2.gz YYAXNAIPGWWJTN-LVWGJNHUSA-N 0 0 419.506 5.335 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(CC)cc3)oc21 ZINC000002951455 568829178 /nfs/dbraw/zinc/82/91/78/568829178.db2.gz NMBOLLNGDYJWFT-LVWGJNHUSA-N 0 0 419.506 5.335 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(C)ccc3C)oc21 ZINC000002951467 568829095 /nfs/dbraw/zinc/82/90/95/568829095.db2.gz SNICYHPYEHSDLO-LVWGJNHUSA-N 0 0 419.506 5.390 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(C)c3)oc21 ZINC000002951470 568829016 /nfs/dbraw/zinc/82/90/16/568829016.db2.gz DKKYKRLCHFANOI-LVWGJNHUSA-N 0 0 419.506 5.390 50 0 HKAARN CCOc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc21 ZINC000002951573 568829354 /nfs/dbraw/zinc/82/93/54/568829354.db2.gz YQEKHEKHOZIVJY-UHFFFAOYSA-N 0 0 401.418 5.236 50 0 HKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2ccc(O)cc2oc1=O ZINC000002951582 568829348 /nfs/dbraw/zinc/82/93/48/568829348.db2.gz SAUMBMQYTAVKQJ-UHFFFAOYSA-N 0 0 407.809 5.197 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000002951591 557430197 /nfs/dbraw/zinc/43/01/97/557430197.db2.gz WZJQCBJFIKWGMD-UHFFFAOYSA-N 0 0 402.121 6.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)oc21 ZINC000002951599 568829323 /nfs/dbraw/zinc/82/93/23/568829323.db2.gz JDAZYEZJTLKIHL-UHFFFAOYSA-N 0 0 421.836 5.500 50 0 HKAARN CCc1sc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)nc1-c1cccs1 ZINC000002951659 568829345 /nfs/dbraw/zinc/82/93/45/568829345.db2.gz FTUDPBVBVWRYRE-UHFFFAOYSA-N 0 0 416.911 5.446 50 0 HKAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000002953034 557430454 /nfs/dbraw/zinc/43/04/54/557430454.db2.gz HFMKDNMXPUBEBD-UHFFFAOYSA-N 0 0 423.950 5.744 50 0 HKAARN CCCOc1ccc(-c2ccc(-c3nc(Cc4ccc(OC)cc4)no3)cc2)cc1 ZINC000002953092 557430442 /nfs/dbraw/zinc/43/04/42/557430442.db2.gz QJUGAAFJSYZYGC-UHFFFAOYSA-N 0 0 400.478 5.792 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000002953242 557430473 /nfs/dbraw/zinc/43/04/73/557430473.db2.gz SAHOFVOCEVIEBI-UHFFFAOYSA-N 0 0 408.885 5.633 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000002953295 557430430 /nfs/dbraw/zinc/43/04/30/557430430.db2.gz LTCTUYPGYXLQEA-UHFFFAOYSA-N 0 0 406.869 6.189 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000002953553 557430650 /nfs/dbraw/zinc/43/06/50/557430650.db2.gz WUXYEAGZVHCEDQ-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 ZINC000002953629 557430635 /nfs/dbraw/zinc/43/06/35/557430635.db2.gz HNCRNVHMCUCJTO-UHFFFAOYSA-N 0 0 406.869 6.189 50 0 HKAARN CCCOc1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 ZINC000002953823 557430640 /nfs/dbraw/zinc/43/06/40/557430640.db2.gz WAIPHYOXEZBHSO-UHFFFAOYSA-N 0 0 408.479 5.458 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)sc2c1 ZINC000002953894 557430609 /nfs/dbraw/zinc/43/06/09/557430609.db2.gz QFBQMHBXNHBSCU-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002953946 557430652 /nfs/dbraw/zinc/43/06/52/557430652.db2.gz IJHGAIXSGATXIQ-UKTHLTGXSA-N 0 0 404.922 6.577 50 0 HKAARN CC[C@@H](C(=O)NC1CCCCCC1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954192 132260544 /nfs/dbraw/zinc/26/05/44/132260544.db2.gz ZZAJLLTXTLCBSL-SFHVURJKSA-N 0 0 402.604 5.040 50 0 HKAARN CC[C@H](C(=O)NC1CCCCCC1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954194 132260533 /nfs/dbraw/zinc/26/05/33/132260533.db2.gz ZZAJLLTXTLCBSL-GOSISDBHSA-N 0 0 402.604 5.040 50 0 HKAARN CC[C@@H](C(=O)NC1CCCCCCC1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954202 132260525 /nfs/dbraw/zinc/26/05/25/132260525.db2.gz KDWVHYNVVMWHPE-IBGZPJMESA-N 0 0 416.631 5.431 50 0 HKAARN CC[C@H](C(=O)NC1CCCCCCC1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954204 132260516 /nfs/dbraw/zinc/26/05/16/132260516.db2.gz KDWVHYNVVMWHPE-LJQANCHMSA-N 0 0 416.631 5.431 50 0 HKAARN COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002954467 557430633 /nfs/dbraw/zinc/43/06/33/557430633.db2.gz UORGVULHYUCLDB-JJIBRWJFSA-N 0 0 422.484 5.258 50 0 HKAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000002954835 557430612 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CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(Br)cc1 ZINC000002971986 557432858 /nfs/dbraw/zinc/43/28/58/557432858.db2.gz JCIJFZQXQXNESS-UHFFFAOYSA-N 0 0 415.356 6.086 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000002972083 557433101 /nfs/dbraw/zinc/43/31/01/557433101.db2.gz SOCZHIYUAYUBCQ-LLVKDONJSA-N 0 0 413.686 5.710 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000002972085 557433117 /nfs/dbraw/zinc/43/31/17/557433117.db2.gz SOCZHIYUAYUBCQ-NSHDSACASA-N 0 0 413.686 5.710 50 0 HKAARN Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2cccnc2s1 ZINC000002972241 569322586 /nfs/dbraw/zinc/32/25/86/569322586.db2.gz VKYIVJLGYIKMIP-UHFFFAOYSA-N 0 0 424.323 5.682 50 0 HKAARN Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nc2cccnc2s1 ZINC000002972248 568832121 /nfs/dbraw/zinc/83/21/21/568832121.db2.gz OZJKIEMTJBAOOX-UHFFFAOYSA-N 0 0 424.323 5.682 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1F ZINC000002972250 557433051 /nfs/dbraw/zinc/43/30/51/557433051.db2.gz UBNGPTGHMWBNCH-UHFFFAOYSA-N 0 0 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O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccccc1 ZINC000002972501 557433083 /nfs/dbraw/zinc/43/30/83/557433083.db2.gz KSLLBLKRNFEONQ-STZFKDTASA-N 0 0 421.905 6.160 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000002972577 557433110 /nfs/dbraw/zinc/43/31/10/557433110.db2.gz AZJHIXHKXZYXCR-UHFFFAOYSA-N 0 0 406.869 6.189 50 0 HKAARN Cc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000002972616 557433007 /nfs/dbraw/zinc/43/30/07/557433007.db2.gz OIWKLSCDFGYTMN-UHFFFAOYSA-N 0 0 404.922 6.691 50 0 HKAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000002972627 557433020 /nfs/dbraw/zinc/43/30/20/557433020.db2.gz KBCAHFAUYNMBPG-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000002972766 557433106 /nfs/dbraw/zinc/43/31/06/557433106.db2.gz SIIFRQNDKUTRHM-UHFFFAOYSA-N 0 0 403.532 5.399 50 0 aggregator HKAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccccc1 ZINC000002972800 557433099 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CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000002973991 557775868 /nfs/dbraw/zinc/77/58/68/557775868.db2.gz ZOTCQENVWXDMTH-LJQANCHMSA-N 0 0 408.567 5.165 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000002973992 557775809 /nfs/dbraw/zinc/77/58/09/557775809.db2.gz ZOTCQENVWXDMTH-IBGZPJMESA-N 0 0 408.567 5.165 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1 ZINC000002974018 557775786 /nfs/dbraw/zinc/77/57/86/557775786.db2.gz WPLAOHZBFGJBLD-UHFFFAOYSA-N 0 0 414.864 5.610 50 0 HKAARN Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)cc1 ZINC000002974268 557433030 /nfs/dbraw/zinc/43/30/30/557433030.db2.gz OOEBERSHUOPYBR-UHFFFAOYSA-N 0 0 422.525 5.969 50 0 HKAARN CC(C)CCSc1nc2cc3c(cc2c(=O)n1CCC1=CCCCC1)OCO3 ZINC000002974280 568832286 /nfs/dbraw/zinc/83/22/86/568832286.db2.gz ZELNGHBYPSWJGQ-UHFFFAOYSA-N 0 0 400.544 5.154 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000002974309 557433121 /nfs/dbraw/zinc/43/31/21/557433121.db2.gz 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/nfs/dbraw/zinc/77/62/98/557776298.db2.gz PLFCOEVTYCOVMI-UHFFFAOYSA-N 0 0 410.443 5.953 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000002974911 557776282 /nfs/dbraw/zinc/77/62/82/557776282.db2.gz CWAPIIQQEIEGNP-TZIWHRDSSA-N 0 0 410.565 6.714 50 0 HKAARN C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000002974912 557776371 /nfs/dbraw/zinc/77/63/71/557776371.db2.gz CWAPIIQQEIEGNP-FPOVZHCZSA-N 0 0 410.565 6.714 50 0 HKAARN Clc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002974914 568832277 /nfs/dbraw/zinc/83/22/77/568832277.db2.gz FPZBZYWLZMXLNR-UHFFFAOYSA-N 0 0 424.935 6.396 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCCC2)cc1 ZINC000002974917 557776324 /nfs/dbraw/zinc/77/63/24/557776324.db2.gz QWPAZXSYASEWDM-UHFFFAOYSA-N 0 0 402.929 6.486 50 0 HKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCc2ccccc2)cc1 ZINC000002974926 557776363 /nfs/dbraw/zinc/77/63/63/557776363.db2.gz DIKMVYREXYBNIP-UHFFFAOYSA-N 0 0 424.935 6.396 50 0 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557441465 /nfs/dbraw/zinc/44/14/65/557441465.db2.gz ACYGOXPBOVFQTQ-ZFWWWQNUSA-N 0 0 410.783 5.042 50 0 HKAARN O=C(Nc1ccccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000003012981 557441425 /nfs/dbraw/zinc/44/14/25/557441425.db2.gz ACYGOXPBOVFQTQ-DZGCQCFKSA-N 0 0 410.783 5.042 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1C ZINC000003012983 557441455 /nfs/dbraw/zinc/44/14/55/557441455.db2.gz GCRGIYCKHZDQSK-WBVHZDCISA-N 0 0 404.392 5.006 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C ZINC000003012985 557441388 /nfs/dbraw/zinc/44/13/88/557441388.db2.gz GCRGIYCKHZDQSK-NVXWUHKLSA-N 0 0 404.392 5.006 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1C ZINC000003012986 557441398 /nfs/dbraw/zinc/44/13/98/557441398.db2.gz GCRGIYCKHZDQSK-RDJZCZTQSA-N 0 0 404.392 5.006 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C ZINC000003012988 557441391 /nfs/dbraw/zinc/44/13/91/557441391.db2.gz 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5.691 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000003030256 132261670 /nfs/dbraw/zinc/26/16/70/132261670.db2.gz LRHSVGFZFBRVAQ-UHFFFAOYSA-N 0 0 415.002 5.905 50 0 HKAARN COC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)/C(=C\c1ccccc1)S2 ZINC000003030355 132261699 /nfs/dbraw/zinc/26/16/99/132261699.db2.gz IOFLVGROTAIOHY-OEAKJJBVSA-N 0 0 415.514 5.462 50 0 HKAARN CC1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)CCS3)CC1 ZINC000003030472 132261826 /nfs/dbraw/zinc/26/18/26/132261826.db2.gz ILEYKHWAJCMSDR-UHFFFAOYSA-N 0 0 415.002 5.761 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000003030515 132261870 /nfs/dbraw/zinc/26/18/70/132261870.db2.gz LWCZONFVZPMHNF-JXFKEZNVSA-N 0 0 415.002 5.761 50 0 HKAARN O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000003030519 132261879 /nfs/dbraw/zinc/26/18/79/132261879.db2.gz MZJOJXOLQFWTCR-UHFFFAOYSA-N 0 0 408.954 5.382 50 0 HKAARN CCOc1ccc(CN2c3cc(C(=O)OC)ccc3Sc3ccccc3C2=O)cc1 ZINC000003030743 568844330 /nfs/dbraw/zinc/84/43/30/568844330.db2.gz JFVBIZGUAQQJHY-UHFFFAOYSA-N 0 0 419.502 5.184 50 0 HKAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)Nc2ccc(F)cc2C)cc1Cl ZINC000003030894 568844627 /nfs/dbraw/zinc/84/46/27/568844627.db2.gz PDDIPDIQSYOPQB-UHFFFAOYSA-N 0 0 409.244 5.665 50 0 HKAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)NCCc2ccc(C)cc2)cc1Cl ZINC000003030958 568844602 /nfs/dbraw/zinc/84/46/02/568844602.db2.gz HVRSJAALISZWTB-UHFFFAOYSA-N 0 0 419.308 5.246 50 0 HKAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000003030965 568844647 /nfs/dbraw/zinc/84/46/47/568844647.db2.gz FZIQFWBVLOMBCN-UHFFFAOYSA-N 0 0 409.244 5.035 50 0 HKAARN Cc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2n1-c1cc(C)cc(C)c1 ZINC000003032192 568844903 /nfs/dbraw/zinc/84/49/03/568844903.db2.gz JELJKSCJUAVKIU-UHFFFAOYSA-N 0 0 403.913 5.534 50 0 HKAARN Cc1nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2n1-c1cc(C)cc(C)c1 ZINC000003032197 568844894 /nfs/dbraw/zinc/84/48/94/568844894.db2.gz AQTFXQSLSMLPJG-UHFFFAOYSA-N 0 0 417.940 5.577 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)oc2c(C)c1 ZINC000003032301 569322875 /nfs/dbraw/zinc/32/28/75/569322875.db2.gz VZKSZGGLMSZBEH-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)oc2c(C)c1 ZINC000003032304 569322880 /nfs/dbraw/zinc/32/28/80/569322880.db2.gz HSJPEZOHYBKUGR-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000003032311 568844969 /nfs/dbraw/zinc/84/49/69/568844969.db2.gz CNWJBTOJVMKRJE-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(CSCc2c(F)cccc2Cl)o1 ZINC000003032600 568845141 /nfs/dbraw/zinc/84/51/41/568845141.db2.gz OHPULMPTTOQVKR-UHFFFAOYSA-N 0 0 407.938 6.126 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(CSCc3c(F)cccc3Cl)o2)cc1 ZINC000003032603 568845123 /nfs/dbraw/zinc/84/51/23/568845123.db2.gz CVSCPORBSYIUAH-UHFFFAOYSA-N 0 0 403.906 5.744 50 0 HKAARN CCOc1ccccc1NC(=O)[C@H](CC)Sc1ncnc2c3ccccc3sc21 ZINC000003032967 568845156 /nfs/dbraw/zinc/84/51/56/568845156.db2.gz CUMICWAIHFJAGZ-KRWDZBQOSA-N 0 0 423.563 5.753 50 0 HKAARN CCOc1ccccc1NC(=O)[C@@H](CC)Sc1ncnc2c3ccccc3sc21 ZINC000003032970 568845126 /nfs/dbraw/zinc/84/51/26/568845126.db2.gz CUMICWAIHFJAGZ-QGZVFWFLSA-N 0 0 423.563 5.753 50 0 HKAARN CCc1ccccc1NC(=O)[C@@H](CC)Sc1ncnc2c3ccccc3sc21 ZINC000003032994 568845163 /nfs/dbraw/zinc/84/51/63/568845163.db2.gz YICVACHZMOVPRG-QGZVFWFLSA-N 0 0 407.564 5.916 50 0 HKAARN CCc1ccccc1NC(=O)[C@H](CC)Sc1ncnc2c3ccccc3sc21 ZINC000003032996 568845080 /nfs/dbraw/zinc/84/50/80/568845080.db2.gz YICVACHZMOVPRG-KRWDZBQOSA-N 0 0 407.564 5.916 50 0 HKAARN O=C(NCc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033216 569322912 /nfs/dbraw/zinc/32/29/12/569322912.db2.gz QTNMFLBJKOYDEI-UHFFFAOYSA-N 0 0 415.496 5.894 50 0 HKAARN CCOCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033218 568845085 /nfs/dbraw/zinc/84/50/85/568845085.db2.gz SYBWXJUCIRBGGX-UHFFFAOYSA-N 0 0 411.505 5.120 50 0 HKAARN CCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033245 568845109 /nfs/dbraw/zinc/84/51/09/568845109.db2.gz BGQXKJPUZIIXJF-UHFFFAOYSA-N 0 0 409.533 6.274 50 0 HKAARN O=C(NC1CCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033276 568845139 /nfs/dbraw/zinc/84/51/39/568845139.db2.gz NMYSHOBRLVVRAD-UHFFFAOYSA-N 0 0 407.517 6.026 50 0 HKAARN O=C(NCc1ccco1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033280 568845129 /nfs/dbraw/zinc/84/51/29/568845129.db2.gz ZYAJGMBMVDCIAU-UHFFFAOYSA-N 0 0 405.457 5.487 50 0 HKAARN O=C(NCc1ccccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033285 568845104 /nfs/dbraw/zinc/84/51/04/568845104.db2.gz HOFSMOIFDKIJBP-UHFFFAOYSA-N 0 0 416.484 5.289 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cnn2c(C)c1Cc1ccccc1Cl ZINC000003033398 568845170 /nfs/dbraw/zinc/84/51/70/568845170.db2.gz YYUMTYHHGAVTKQ-AYSMAOOMSA-N 0 0 424.976 5.145 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003033496 568845282 /nfs/dbraw/zinc/84/52/82/568845282.db2.gz LLJOFRLVIKWJTL-AYSMAOOMSA-N 0 0 424.976 5.145 50 0 HKAARN Cc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3nc2-c2ccc(C)cc2)cc1 ZINC000003033518 568845354 /nfs/dbraw/zinc/84/53/54/568845354.db2.gz WOUBBCUDPZURKG-UHFFFAOYSA-N 0 0 421.544 6.253 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c1 ZINC000003033648 569322882 /nfs/dbraw/zinc/32/28/82/569322882.db2.gz VOOVIWKFEDURRT-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1c(F)cccc1Cl)c2C ZINC000003033818 568845357 /nfs/dbraw/zinc/84/53/57/568845357.db2.gz YIFCAVJQHMYFQV-UHFFFAOYSA-N 0 0 416.928 5.040 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)NCCC(C)C)nc2-c2ccc(C)cc2)cc1 ZINC000003033850 568845279 /nfs/dbraw/zinc/84/52/79/568845279.db2.gz USKCZHMUXVKUIW-UHFFFAOYSA-N 0 0 420.582 5.077 50 0 HKAARN Cc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(C)c(C)c4)c3[nH]c2=S)cc1 ZINC000003034368 568845347 /nfs/dbraw/zinc/84/53/47/568845347.db2.gz MITHXHHWODFSLM-UHFFFAOYSA-N 0 0 411.577 5.555 50 0 HKAARN COc1ccc(NC(=O)c2sc(=S)n(-c3ccc(Cl)c(C)c3)c2N)cc1 ZINC000003034414 568845351 /nfs/dbraw/zinc/84/53/51/568845351.db2.gz BNUSOZKGFRSOML-UHFFFAOYSA-N 0 0 405.932 5.073 50 0 HKAARN CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1ccc(C)cc1 ZINC000003034469 568845334 /nfs/dbraw/zinc/84/53/34/568845334.db2.gz ZJLKHUPGNJZOLL-UHFFFAOYSA-N 0 0 411.577 5.306 50 0 HKAARN Cc1ccc(-n2c(=O)c3sc(=S)n(-c4cc(C)ccc4F)c3[nH]c2=S)cc1 ZINC000003034526 568845293 /nfs/dbraw/zinc/84/52/93/568845293.db2.gz UYKRFAWSDXWUTP-UHFFFAOYSA-N 0 0 415.540 5.386 50 0 HKAARN COc1ccc(C(=O)N[C@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 ZINC000003034891 557442715 /nfs/dbraw/zinc/44/27/15/557442715.db2.gz XTZJFSBFVBMQPC-IBGZPJMESA-N 0 0 423.727 5.387 50 0 HKAARN COc1ccc(C(=O)N[C@@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 ZINC000003034893 557442696 /nfs/dbraw/zinc/44/26/96/557442696.db2.gz XTZJFSBFVBMQPC-LJQANCHMSA-N 0 0 423.727 5.387 50 0 HKAARN CCOc1ccc(N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003034896 557785394 /nfs/dbraw/zinc/78/53/94/557785394.db2.gz DAFQQIXZLZHWNT-INMULRNOSA-N 0 0 413.732 5.023 50 0 HKAARN CCOc1ccc(N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003034900 557785352 /nfs/dbraw/zinc/78/53/52/557785352.db2.gz DAFQQIXZLZHWNT-RORWEDLISA-N 0 0 413.732 5.023 50 0 HKAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NC4CCCCCCC4)cnn3c2C)c1 ZINC000003035052 568845540 /nfs/dbraw/zinc/84/55/40/568845540.db2.gz LWFJJOWJQGTBEU-UHFFFAOYSA-N 0 0 418.585 5.396 50 0 HKAARN O=C(NC1CCCCCCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003035102 568845565 /nfs/dbraw/zinc/84/55/65/568845565.db2.gz DDMJKAIHVJUHFH-UHFFFAOYSA-N 0 0 416.447 5.258 50 0 HKAARN Cc1ccc(CN2C(=O)CN([C@@H]3CCCC[C@H]3C)C(=O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000003035128 568845534 /nfs/dbraw/zinc/84/55/34/568845534.db2.gz OUGCPKGZTPLBOF-XANCMCCPSA-N 0 0 424.972 5.139 50 0 HKAARN C[C@H](NC(=O)c1cc(Sc2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000003035167 557785570 /nfs/dbraw/zinc/78/55/70/557785570.db2.gz VQQVNDRVKJCARI-INIZCTEOSA-N 0 0 418.949 6.530 50 0 HKAARN C[C@@H](NC(=O)c1cc(Sc2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000003035169 568845568 /nfs/dbraw/zinc/84/55/68/568845568.db2.gz VQQVNDRVKJCARI-MRXNPFEDSA-N 0 0 418.949 6.530 50 0 HKAARN C[C@H](NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)c1ccccc1 ZINC000003035170 568845567 /nfs/dbraw/zinc/84/55/67/568845567.db2.gz RPOIVSYIWLRIJD-INIZCTEOSA-N 0 0 402.494 6.016 50 0 HKAARN C[C@@H](NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)c1ccccc1 ZINC000003035172 568845555 /nfs/dbraw/zinc/84/55/55/568845555.db2.gz RPOIVSYIWLRIJD-MRXNPFEDSA-N 0 0 402.494 6.016 50 0 HKAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(Cl)cc2)N1C1CCCCCC1 ZINC000003035190 568845562 /nfs/dbraw/zinc/84/55/62/568845562.db2.gz JTYGHWNUQWICQT-QFIPXVFZSA-N 0 0 402.966 5.107 50 0 HKAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1C1CCCCCC1 ZINC000003035191 568845550 /nfs/dbraw/zinc/84/55/50/568845550.db2.gz JTYGHWNUQWICQT-JOCHJYFZSA-N 0 0 402.966 5.107 50 0 HKAARN COc1ccc(NC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)cc1Cl ZINC000003036229 568845735 /nfs/dbraw/zinc/84/57/35/568845735.db2.gz YXNCVIDAHOLPJA-UHFFFAOYSA-N 0 0 406.954 6.019 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000003036234 568845742 /nfs/dbraw/zinc/84/57/42/568845742.db2.gz UOAMATMHTFQBHN-UHFFFAOYSA-N 0 0 420.981 6.328 50 0 HKAARN CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000003036236 568845743 /nfs/dbraw/zinc/84/57/43/568845743.db2.gz OTAMZAPTSCFJEH-UHFFFAOYSA-N 0 0 414.546 5.534 50 0 HKAARN Fc1ccc(CN(C(=S)Nc2cccc(C(F)(F)F)c2)C2CCCCC2)cc1 ZINC000003036240 568845773 /nfs/dbraw/zinc/84/57/73/568845773.db2.gz JTTFWHJJQIKZHR-UHFFFAOYSA-N 0 0 410.480 6.376 50 0 HKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000003036250 568845761 /nfs/dbraw/zinc/84/57/61/568845761.db2.gz SEYWQNJMKJMELF-UHFFFAOYSA-N 0 0 406.954 6.019 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=S)N(Cc1ccccc1Cl)C1CCCC1 ZINC000003036263 568845754 /nfs/dbraw/zinc/84/57/54/568845754.db2.gz FTMUYXIOMDXVPX-UHFFFAOYSA-N 0 0 423.409 6.452 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N(Cc2ccccc2Cl)C2CCCC2)c1 ZINC000003036268 568845744 /nfs/dbraw/zinc/84/57/44/568845744.db2.gz 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568845774 /nfs/dbraw/zinc/84/57/74/568845774.db2.gz UGHNXJKWKABWDA-HZHRSRAPSA-N 0 0 423.447 5.331 50 0 HKAARN Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1F ZINC000003037280 568845745 /nfs/dbraw/zinc/84/57/45/568845745.db2.gz IJFHQICLPIASPC-UHFFFAOYSA-N 0 0 412.921 5.417 50 0 HKAARN Cc1nc2nc(SCc3ccccc3Cl)nn2c(C)c1Cc1ccccc1F ZINC000003037291 568845736 /nfs/dbraw/zinc/84/57/36/568845736.db2.gz ITTGODXHSIZTJC-UHFFFAOYSA-N 0 0 412.921 5.417 50 0 HKAARN Cc1nc2nc(SCc3cccc(Cl)c3)nn2c(C)c1Cc1ccccc1F ZINC000003037373 568845747 /nfs/dbraw/zinc/84/57/47/568845747.db2.gz CFZOTTWTRKRRIC-UHFFFAOYSA-N 0 0 412.921 5.417 50 0 HKAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000003037529 568845927 /nfs/dbraw/zinc/84/59/27/568845927.db2.gz HGANJZQJPUPDQW-IBGZPJMESA-N 0 0 410.517 5.662 50 0 HKAARN COc1ccc(-c2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000003037530 568845947 /nfs/dbraw/zinc/84/59/47/568845947.db2.gz HGANJZQJPUPDQW-LJQANCHMSA-N 0 0 410.517 5.662 50 0 HKAARN 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HKAARN CCCCSCCCNC(=O)c1cc(Nc2ccccc2C)nc2ccccc21 ZINC000003056154 568851927 /nfs/dbraw/zinc/85/19/27/568851927.db2.gz QMFZMECJGZNQHE-UHFFFAOYSA-N 0 0 407.583 5.940 50 0 HKAARN Cc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc1C ZINC000003056212 568851793 /nfs/dbraw/zinc/85/17/93/568851793.db2.gz XODWBMODAVRGHT-UHFFFAOYSA-N 0 0 401.554 6.438 50 0 HKAARN CCCCSCCCNC(=O)c1cc(Nc2ccc(C)c(C)c2)nc2ccccc21 ZINC000003056244 568851843 /nfs/dbraw/zinc/85/18/43/568851843.db2.gz APGBSGTXPLVROP-UHFFFAOYSA-N 0 0 421.610 6.248 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000003056346 568851808 /nfs/dbraw/zinc/85/18/08/568851808.db2.gz IZLQJPQCXOQPQJ-UHFFFAOYSA-N 0 0 420.361 5.992 50 0 HKAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000003056357 568851865 /nfs/dbraw/zinc/85/18/65/568851865.db2.gz ROIFNJOAZXPPKB-UHFFFAOYSA-N 0 0 415.898 5.025 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000003056358 568851824 /nfs/dbraw/zinc/85/18/24/568851824.db2.gz SBBVDTSGCAATNR-UHFFFAOYSA-N 0 0 406.334 5.950 50 0 HKAARN CCCC(=O)Nc1cc(C(=O)N(CC)CC)ccc1Sc1ccc(Cl)cc1 ZINC000003057210 568851880 /nfs/dbraw/zinc/85/18/80/568851880.db2.gz NNQLIWPJRUOANJ-UHFFFAOYSA-N 0 0 404.963 5.712 50 0 HKAARN CC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCC2)CC1 ZINC000003057265 568851792 /nfs/dbraw/zinc/85/17/92/568851792.db2.gz BQNLHHSZWBRSSZ-UHFFFAOYSA-N 0 0 412.361 5.171 50 0 HKAARN CCCCSCCCNC(=O)c1cc(Nc2ccccc2CC)nc2ccccc21 ZINC000003057732 568851869 /nfs/dbraw/zinc/85/18/69/568851869.db2.gz STKDRULWTHZVMM-UHFFFAOYSA-N 0 0 421.610 6.194 50 0 HKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCc1ccccc1Cl ZINC000003058507 568851900 /nfs/dbraw/zinc/85/19/00/568851900.db2.gz ISQWUJJUOMVGPH-UHFFFAOYSA-N 0 0 421.349 5.506 50 0 HKAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)NCc1ccccc1Cl ZINC000003058519 568851810 /nfs/dbraw/zinc/85/18/10/568851810.db2.gz WHQKFQPZRYUXHN-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN CC1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003058532 132262422 /nfs/dbraw/zinc/26/24/22/132262422.db2.gz KCZPMERPVIOSJV-HMAPJEAMSA-N 0 0 406.551 5.105 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 ZINC000003059130 568852097 /nfs/dbraw/zinc/85/20/97/568852097.db2.gz MYNGIVQLCRAVAZ-UHFFFAOYSA-N 0 0 420.603 6.096 50 0 HKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003059167 557790779 /nfs/dbraw/zinc/79/07/79/557790779.db2.gz GANMBEAFEKBBNY-FQEVSTJZSA-N 0 0 410.344 6.555 50 0 HKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003059169 557790702 /nfs/dbraw/zinc/79/07/02/557790702.db2.gz GANMBEAFEKBBNY-HXUWFJFHSA-N 0 0 410.344 6.555 50 0 HKAARN CC(C)(C)C(=O)CSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000003059185 568852186 /nfs/dbraw/zinc/85/21/86/568852186.db2.gz JFGSUDNQPMZWHD-UHFFFAOYSA-N 0 0 420.987 5.061 50 0 HKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)cc1 ZINC000003059344 568852045 /nfs/dbraw/zinc/85/20/45/568852045.db2.gz MDORJFQLKLNBMA-UHFFFAOYSA-N 0 0 412.967 5.760 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000003059439 557443739 /nfs/dbraw/zinc/44/37/39/557443739.db2.gz PPFHJCUASZOCQC-LICLKQGHSA-N 0 0 402.208 5.737 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003059467 568852149 /nfs/dbraw/zinc/85/21/49/568852149.db2.gz RIRLKUMXGUUYDC-MTJSOVHGSA-N 0 0 420.921 5.355 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)cc1 ZINC000003059507 568852156 /nfs/dbraw/zinc/85/21/56/568852156.db2.gz YLGBHERHWXGPCF-XKZIYDEJSA-N 0 0 400.503 5.010 50 0 HKAARN CCN1c2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccccc2C1=O ZINC000003060473 568852614 /nfs/dbraw/zinc/85/26/14/568852614.db2.gz QUZWFMATKKNSDL-UHFFFAOYSA-N 0 0 422.937 5.401 50 0 HKAARN CCN1c2cc(C(=O)NCCc3ccc(C)cc3)ccc2Sc2ccccc2C1=O ZINC000003060489 568852650 /nfs/dbraw/zinc/85/26/50/568852650.db2.gz OWZCPJMKLFPHNF-UHFFFAOYSA-N 0 0 416.546 5.099 50 0 HKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)N(CC)C(=O)c2ccccc2S3)cc1 ZINC000003060498 568852629 /nfs/dbraw/zinc/85/26/29/568852629.db2.gz NRQIOZXBYUIFMV-UHFFFAOYSA-N 0 0 416.546 5.310 50 0 HKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCCCCC4)cc3NC2=O)cc1 ZINC000003060524 568852627 /nfs/dbraw/zinc/85/26/27/568852627.db2.gz TUOFHQURYPCVQW-HYARGMPZSA-N 0 0 422.550 5.233 50 0 HKAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NC4CCCCCC4)cc3NC2=O)c1 ZINC000003060753 568852590 /nfs/dbraw/zinc/85/25/90/568852590.db2.gz XTKPMZOBCSBBQF-HYARGMPZSA-N 0 0 422.550 5.233 50 0 HKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccc(Br)c2)cc1 ZINC000003060807 557443827 /nfs/dbraw/zinc/44/38/27/557443827.db2.gz HIFIKBYPNBWHCA-QFIPXVFZSA-N 0 0 420.350 6.011 50 0 HKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccc(Br)c2)cc1 ZINC000003060809 557443773 /nfs/dbraw/zinc/44/37/73/557443773.db2.gz HIFIKBYPNBWHCA-JOCHJYFZSA-N 0 0 420.350 6.011 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N3CCCc4ccccc43)c(C)o2)cc1 ZINC000003060959 132262426 /nfs/dbraw/zinc/26/24/26/132262426.db2.gz HYSPAHXUXRRHTE-UHFFFAOYSA-N 0 0 424.591 5.585 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N3[C@H](C)CCC[C@@H]3C)c(C)o2)cc1 ZINC000003060961 557793811 /nfs/dbraw/zinc/79/38/11/557793811.db2.gz OWQIUVQDYFTSFI-GASCZTMLSA-N 0 0 404.601 5.395 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N3[C@@H](C)CCC[C@@H]3C)c(C)o2)cc1 ZINC000003060963 568852857 /nfs/dbraw/zinc/85/28/57/568852857.db2.gz OWQIUVQDYFTSFI-GJZGRUSLSA-N 0 0 404.601 5.395 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N3[C@H](C)CCC[C@H]3C)c(C)o2)cc1 ZINC000003060965 568852750 /nfs/dbraw/zinc/85/27/50/568852750.db2.gz OWQIUVQDYFTSFI-HUUCEWRRSA-N 0 0 404.601 5.395 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CN1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000003061099 568852806 /nfs/dbraw/zinc/85/28/06/568852806.db2.gz CLBJTMLZXUDMPQ-UHFFFAOYSA-N 0 0 407.473 5.034 50 0 HKAARN CCN1c2cc(C(=O)NCc3ccc(C)cc3)ccc2Sc2ccccc2C1=O ZINC000003061159 568852822 /nfs/dbraw/zinc/85/28/22/568852822.db2.gz VZULVGNKCHJGGT-UHFFFAOYSA-N 0 0 402.519 5.056 50 0 HKAARN CCN1c2cc(C(=O)NC3CCCCCCC3)ccc2Sc2ccccc2C1=O ZINC000003061160 568852724 /nfs/dbraw/zinc/85/27/24/568852724.db2.gz BVQDCMYWXRWLIO-UHFFFAOYSA-N 0 0 408.567 5.661 50 0 HKAARN O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2)N1CCCCCC1 ZINC000003061226 568852867 /nfs/dbraw/zinc/85/28/67/568852867.db2.gz TWEIMFDKFNEZJY-XSFVSMFZSA-N 0 0 412.942 5.442 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccc(Cl)c(Cl)c1 ZINC000003061449 557793722 /nfs/dbraw/zinc/79/37/22/557793722.db2.gz PAEYOUNGFHUDSL-UHFFFAOYSA-N 0 0 414.499 6.076 50 0 HKAARN O=C(Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1)c1cccc(Cl)c1 ZINC000003062753 568853098 /nfs/dbraw/zinc/85/30/98/568853098.db2.gz JJQNNVYHEZXXCN-UHFFFAOYSA-N 0 0 415.876 7.177 50 0 HKAARN CN1C(=O)N(c2cccc3ccccc32)[C@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000003063031 557794018 /nfs/dbraw/zinc/79/40/18/557794018.db2.gz APSDBBFAYYDHOZ-FQEVSTJZSA-N 0 0 422.916 5.291 50 0 HKAARN CN1C(=O)N(c2cccc3ccccc32)[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000003063032 557794062 /nfs/dbraw/zinc/79/40/62/557794062.db2.gz APSDBBFAYYDHOZ-HXUWFJFHSA-N 0 0 422.916 5.291 50 0 HKAARN Clc1ccc(COn2c3cccnc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000003063449 568853063 /nfs/dbraw/zinc/85/30/63/568853063.db2.gz YMZVLZHCYJIACQ-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN Clc1cccc(COn2c3cccnc3nc2-c2ccc(Cl)cc2Cl)c1 ZINC000003063452 568852974 /nfs/dbraw/zinc/85/29/74/568852974.db2.gz WJBVCLXIBASERR-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@@H](C)c3ccccc3)c(C)o2)cc1 ZINC000003063453 568853025 /nfs/dbraw/zinc/85/30/25/568853025.db2.gz PAXRSBAJCDNATF-INIZCTEOSA-N 0 0 410.539 5.159 50 0 HKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@H](C)c3ccccc3)c(C)o2)cc1 ZINC000003063454 568853016 /nfs/dbraw/zinc/85/30/16/568853016.db2.gz PAXRSBAJCDNATF-MRXNPFEDSA-N 0 0 410.539 5.159 50 0 HKAARN CCOc1ccc(-c2nc(CSCC(=O)NCCC3=CCCCC3)c(C)o2)cc1 ZINC000003063470 568852989 /nfs/dbraw/zinc/85/29/89/568852989.db2.gz BDZAGJPVAPXUQW-UHFFFAOYSA-N 0 0 414.571 5.289 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000003063507 568853005 /nfs/dbraw/zinc/85/30/05/568853005.db2.gz NQANIQZMWKQPOB-IBGZPJMESA-N 0 0 409.205 6.335 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000003063510 568853033 /nfs/dbraw/zinc/85/30/33/568853033.db2.gz NQANIQZMWKQPOB-LJQANCHMSA-N 0 0 409.205 6.335 50 0 HKAARN FC(F)(F)c1cccc(COn2c3cc(Cl)ccc3nc2-c2ccccc2)c1 ZINC000003063559 568853057 /nfs/dbraw/zinc/85/30/57/568853057.db2.gz ROBXIHKUPYSMQB-UHFFFAOYSA-N 0 0 402.803 6.004 50 0 HKAARN Clc1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3Cl)c2c1 ZINC000003063564 568853040 /nfs/dbraw/zinc/85/30/40/568853040.db2.gz DJRJNRMGEQHELN-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN Clc1ccc(COn2c3cc(Cl)ccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000003063575 568853074 /nfs/dbraw/zinc/85/30/74/568853074.db2.gz PFSIXAQZGHWYFS-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(Cl)c2)cc1 ZINC000003063578 568853000 /nfs/dbraw/zinc/85/30/00/568853000.db2.gz PZQBLYDFLXJKLL-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccccc2Cl)cc1 ZINC000003063581 568852978 /nfs/dbraw/zinc/85/29/78/568852978.db2.gz SUNHPZIIXVCOMB-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN Brc1ccc(-c2nnc3c4ccccc4nc(Oc4ccccc4)n23)cc1 ZINC000003063650 568852996 /nfs/dbraw/zinc/85/29/96/568852996.db2.gz YNCXKYPQLIMTLY-UHFFFAOYSA-N 0 0 417.266 5.499 50 0 HKAARN Clc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)c(Cl)c1 ZINC000003063673 568852964 /nfs/dbraw/zinc/85/29/64/568852964.db2.gz UQCULXQUEBXGBP-UHFFFAOYSA-N 0 0 406.276 5.995 50 0 HKAARN Clc1ccc(-c2nnc3c4ccccc4nc(Oc4ccccc4)n23)cc1Cl ZINC000003063679 568853059 /nfs/dbraw/zinc/85/30/59/568853059.db2.gz KLQUQSSEHUWJLH-UHFFFAOYSA-N 0 0 407.260 6.044 50 0 HKAARN Clc1cccc(Cl)c1CSc1nc(Cc2ccccc2)nc2ccccc21 ZINC000003063719 568852998 /nfs/dbraw/zinc/85/29/98/568852998.db2.gz IELSXRNHBKXWDX-UHFFFAOYSA-N 0 0 411.357 6.820 50 0 HKAARN Clc1ccc(CSc2nc(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000003063755 568853247 /nfs/dbraw/zinc/85/32/47/568853247.db2.gz NBWUZVKYZVCGDR-UHFFFAOYSA-N 0 0 411.357 6.820 50 0 HKAARN Clc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)cc1Cl ZINC000003063800 568853245 /nfs/dbraw/zinc/85/32/45/568853245.db2.gz QNZXGBSMMXFCKH-UHFFFAOYSA-N 0 0 406.276 5.995 50 0 HKAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)cc1 ZINC000003063915 568853191 /nfs/dbraw/zinc/85/31/91/568853191.db2.gz OZWLGZPZTGEZCK-HAHDFKILSA-N 0 0 414.530 5.053 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063952 568853256 /nfs/dbraw/zinc/85/32/56/568853256.db2.gz NGGCQGMROCMCAG-MTJSOVHGSA-N 0 0 420.921 5.355 50 0 HKAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063958 568853213 /nfs/dbraw/zinc/85/32/13/568853213.db2.gz ZNFOFFGIVASMDD-ZHZULCJRSA-N 0 0 412.580 5.035 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063981 568853296 /nfs/dbraw/zinc/85/32/96/568853296.db2.gz MTMBORAKHAEKKY-BKUYFWCQSA-N 0 0 400.503 5.641 50 0 HKAARN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063985 568853289 /nfs/dbraw/zinc/85/32/89/568853289.db2.gz WGNVMIGAUJZFOD-MTJSOVHGSA-N 0 0 404.466 5.472 50 0 HKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)c1ccccc1 ZINC000003064012 568853243 /nfs/dbraw/zinc/85/32/43/568853243.db2.gz HYMZDVHMXJEOFX-VOMLJKFNSA-N 0 0 400.503 5.263 50 0 HKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)c1ccccc1 ZINC000003064016 568853251 /nfs/dbraw/zinc/85/32/51/568853251.db2.gz HYMZDVHMXJEOFX-LRSOKBAUSA-N 0 0 400.503 5.263 50 0 HKAARN Clc1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)c(Cl)c3)c2c1 ZINC000003064067 568853188 /nfs/dbraw/zinc/85/31/88/568853188.db2.gz HLJAMPGGUACYDS-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN Clc1ccc2nc(-c3ccccc3)n(OCc3c(Cl)cccc3Cl)c2c1 ZINC000003064071 568853223 /nfs/dbraw/zinc/85/32/23/568853223.db2.gz CXZGKPVZMQVLSP-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064129 568853258 /nfs/dbraw/zinc/85/32/58/568853258.db2.gz XAENQVIEOWPTBZ-JCMHNJIXSA-N 0 0 404.535 5.392 50 0 HKAARN CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064187 568853294 /nfs/dbraw/zinc/85/32/94/568853294.db2.gz VYADZDUTOPWAMW-UUYOSTAYSA-N 0 0 408.567 5.526 50 0 HKAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(Br)cc1 ZINC000003065192 568853303 /nfs/dbraw/zinc/85/33/03/568853303.db2.gz ODRJCMXTYFAWSK-UHFFFAOYSA-N 0 0 410.267 5.232 50 0 HKAARN COc1ccc(/C=C/C(=O)N[C@H]2CC3(CCCCC3)Oc3ccc(C)cc32)cc1OC ZINC000003065215 568853194 /nfs/dbraw/zinc/85/31/94/568853194.db2.gz LDFNMSCYOSGMHL-ZRFOIIEFSA-N 0 0 421.537 5.368 50 0 biogenic HKAARN COc1ccc(/C=C/C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccc(C)cc32)cc1OC ZINC000003065218 568853239 /nfs/dbraw/zinc/85/32/39/568853239.db2.gz LDFNMSCYOSGMHL-VZOQVYJPSA-N 0 0 421.537 5.368 50 0 biogenic HKAARN COc1ccc(NC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000003065309 557794207 /nfs/dbraw/zinc/79/42/07/557794207.db2.gz NVKZIFFKNACAHG-UHFFFAOYSA-N 0 0 404.289 5.225 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003066086 557444483 /nfs/dbraw/zinc/44/44/83/557444483.db2.gz XCPWZIDCDDLYOH-OAHLLOKOSA-N 0 0 415.729 5.355 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003066087 557444492 /nfs/dbraw/zinc/44/44/92/557444492.db2.gz XCPWZIDCDDLYOH-HNNXBMFYSA-N 0 0 415.729 5.355 50 0 HKAARN Nc1ccc(Sc2ccc(Oc3ccc(Sc4ccc(N)cc4)cc3)cc2)cc1 ZINC000003067671 557444699 /nfs/dbraw/zinc/44/46/99/557444699.db2.gz OCAJVHOTSPMDPN-UHFFFAOYSA-N 0 0 416.571 6.946 50 0 HKAARN CC(C)(C)c1ccc(OCCOCCOc2cc(C(C)(C)C)ccc2O)c(O)c1 ZINC000003067676 557794529 /nfs/dbraw/zinc/79/45/29/557794529.db2.gz BWIBGVPXVKFCNO-UHFFFAOYSA-N 0 0 402.531 5.167 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1F ZINC000003067678 557794525 /nfs/dbraw/zinc/79/45/25/557794525.db2.gz RREXICKABUBOLY-HSZRJFAPSA-N 0 0 404.485 5.149 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1F ZINC000003067679 557794522 /nfs/dbraw/zinc/79/45/22/557794522.db2.gz RREXICKABUBOLY-QHCPKHFHSA-N 0 0 404.485 5.149 50 0 HKAARN COc1ccccc1NCN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O ZINC000003067933 557794520 /nfs/dbraw/zinc/79/45/20/557794520.db2.gz RVUVAZXPPVVACX-SXGWCWSVSA-N 0 0 409.294 5.108 50 0 HKAARN Cc1cccc(NCN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)c1C ZINC000003067948 557444706 /nfs/dbraw/zinc/44/47/06/557444706.db2.gz GUDALXSYGOBLNZ-MFOYZWKCSA-N 0 0 407.322 5.716 50 0 HKAARN O=C(Oc1cc2ccccc2c(OC(=O)c2ccccc2F)c1)c1ccccc1F ZINC000003068483 568853444 /nfs/dbraw/zinc/85/34/44/568853444.db2.gz YLMGXFYPWXJSQR-UHFFFAOYSA-N 0 0 404.368 5.556 50 0 HKAARN O=C(CCCCC(=O)Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 ZINC000003069130 557794785 /nfs/dbraw/zinc/79/47/85/557794785.db2.gz NWAKHLMKVNSXED-UHFFFAOYSA-N 0 0 410.524 5.044 50 0 HKAARN O=c1nc(-c2cc(-c3ccccc3)nc3ccccc32)[nH]c2sc3c(c21)CCCC3 ZINC000003069827 568853653 /nfs/dbraw/zinc/85/36/53/568853653.db2.gz GEQBWPMTXZZFCS-UHFFFAOYSA-N 0 0 409.514 5.746 50 0 HKAARN O=C(Nc1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1)Nc1ccc(Cl)cc1 ZINC000003069919 568853716 /nfs/dbraw/zinc/85/37/16/568853716.db2.gz XOGZMYFCUQVKBZ-UHFFFAOYSA-N 0 0 408.672 5.850 50 0 HKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1NC(=O)Nc1ccc(Cl)cc1 ZINC000003069961 568853625 /nfs/dbraw/zinc/85/36/25/568853625.db2.gz LWCPKRDHMGIXRR-UHFFFAOYSA-N 0 0 418.280 5.809 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000003069988 568853707 /nfs/dbraw/zinc/85/37/07/568853707.db2.gz WLEOMPOIGXHRQF-UHFFFAOYSA-N 0 0 417.239 6.388 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000003069992 568853647 /nfs/dbraw/zinc/85/36/47/568853647.db2.gz VZTNZXMVZGAZDW-UHFFFAOYSA-N 0 0 424.447 6.748 50 0 HKAARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003070002 568853622 /nfs/dbraw/zinc/85/36/22/568853622.db2.gz RLISXVRLGHZRET-UHFFFAOYSA-N 0 0 410.420 6.147 50 0 HKAARN FC(F)(F)c1cnc(-n2cnc(COc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000003070004 568853711 /nfs/dbraw/zinc/85/37/11/568853711.db2.gz RGIRUEOCIIFEMQ-UHFFFAOYSA-N 0 0 423.609 5.220 50 0 HKAARN CCCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000003071580 557444760 /nfs/dbraw/zinc/44/47/60/557444760.db2.gz KSOJUQNCAYNHTH-UHFFFAOYSA-N 0 0 416.546 6.242 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(Oc2ccccc2)c1 ZINC000003071862 568853892 /nfs/dbraw/zinc/85/38/92/568853892.db2.gz KGROROPOPTXMOH-UHFFFAOYSA-N 0 0 422.509 7.008 50 0 HKAARN C[NH+](C)Cc1cc(C(C)(C)C)c(OC(=O)[N-]C(=O)c2ccccc2)c(C(C)(C)C)c1 ZINC000003073673 558257529 /nfs/dbraw/zinc/25/75/29/558257529.db2.gz RZIFQUHRIVOYRU-UHFFFAOYSA-N 0 0 410.558 5.272 50 0 HKAARN CCN1C=C(c2ccc3ccccc3n2)[C@@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000003073680 535438902 /nfs/dbraw/zinc/43/89/02/535438902.db2.gz KLKAYHZLTWSZEV-MUUNZHRXSA-N 0 0 401.513 6.729 50 0 HKAARN CCN1C=C(c2ccc3ccccc3n2)[C@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000003073681 535438342 /nfs/dbraw/zinc/43/83/42/535438342.db2.gz KLKAYHZLTWSZEV-NDEPHWFRSA-N 0 0 401.513 6.729 50 0 HKAARN COc1cc(Br)c(OC)c([C@H]2CC(=O)Nc3c4ccccc4ccc32)c1 ZINC000003073765 558260139 /nfs/dbraw/zinc/26/01/39/558260139.db2.gz MDOPVHSMAAINEZ-INIZCTEOSA-N 0 0 412.283 5.094 50 0 HKAARN COc1cc(Br)c(OC)c([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c1 ZINC000003073766 558260356 /nfs/dbraw/zinc/26/03/56/558260356.db2.gz MDOPVHSMAAINEZ-MRXNPFEDSA-N 0 0 412.283 5.094 50 0 HKAARN CCc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2CC)c1 ZINC000003074917 557445010 /nfs/dbraw/zinc/44/50/10/557445010.db2.gz JTMDJCSDHIZMLD-UHFFFAOYSA-N 0 0 402.498 6.099 50 0 HKAARN CCc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(CC)cc3)c2)cc1 ZINC000003074918 557444966 /nfs/dbraw/zinc/44/49/66/557444966.db2.gz XGWQXHSPJBJSGB-UHFFFAOYSA-N 0 0 402.498 6.099 50 0 HKAARN CCCCOc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 ZINC000003074926 557444956 /nfs/dbraw/zinc/44/49/56/557444956.db2.gz IUSHWLFQYIYRFI-UHFFFAOYSA-N 0 0 400.566 6.508 50 0 HKAARN Cc1ccc(N2C(C)=CC(C)(C)N=C2SC(c2ccccc2)c2ccccc2)cc1 ZINC000003074942 568853836 /nfs/dbraw/zinc/85/38/36/568853836.db2.gz UCEDPNLVLRVNOZ-UHFFFAOYSA-N 0 0 412.602 7.376 50 0 HKAARN COc1ccc(C(C(Cl)=C(Cl)Cl)c2ccc(OC)c(OC)c2)cc1OC ZINC000003075513 558659940 /nfs/dbraw/zinc/65/99/40/558659940.db2.gz KETVUCGAYBGAIG-UHFFFAOYSA-N 0 0 417.716 5.738 50 0 HKAARN Oc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)cc1-c1ccccc1 ZINC000003075552 569012691 /nfs/dbraw/zinc/01/26/91/569012691.db2.gz YORWGEBGLARDJO-UHFFFAOYSA-N 0 0 401.303 7.156 50 0 HKAARN Nc1ccccc1N(c1ccccc1Br)c1ccccc1Br ZINC000003075592 569012727 /nfs/dbraw/zinc/01/27/27/569012727.db2.gz UVGLEAKDZOPBGM-UHFFFAOYSA-N 0 0 418.132 6.264 50 0 HKAARN Cc1ccc(-c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000003075596 558660056 /nfs/dbraw/zinc/66/00/56/558660056.db2.gz MQJLZTWJYPDNJB-UHFFFAOYSA-N 0 0 411.548 8.245 50 0 HKAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 ZINC000003078716 557445033 /nfs/dbraw/zinc/44/50/33/557445033.db2.gz RJBDBWQMUOUQQX-UHFFFAOYSA-N 0 0 423.578 6.474 50 0 HKAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)s2)cs1 ZINC000003078889 557445284 /nfs/dbraw/zinc/44/52/84/557445284.db2.gz DZOQTPSJHPUELM-UHFFFAOYSA-N 0 0 405.353 5.288 50 0 HKAARN Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3Cl)s2)cs1 ZINC000003078901 557445313 /nfs/dbraw/zinc/44/53/13/557445313.db2.gz CIHTXNPLVLHGHH-UHFFFAOYSA-N 0 0 406.337 5.255 50 0 HKAARN Clc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1Cl ZINC000003079527 558747457 /nfs/dbraw/zinc/74/74/57/558747457.db2.gz YPNWXYDLQJILKD-UHFFFAOYSA-N 0 0 400.128 6.623 50 0 HKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000003079572 568853991 /nfs/dbraw/zinc/85/39/91/568853991.db2.gz UPIQKPFLTLWPTI-UHFFFAOYSA-N 0 0 422.981 5.595 50 0 HKAARN O=C(Nc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003079641 132262660 /nfs/dbraw/zinc/26/26/60/132262660.db2.gz UBYDQUASHOIKKO-UHFFFAOYSA-N 0 0 413.443 6.493 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000003080184 568854045 /nfs/dbraw/zinc/85/40/45/568854045.db2.gz KPEDOISZUWYLDK-UHFFFAOYSA-N 0 0 406.441 5.201 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000003080706 557445246 /nfs/dbraw/zinc/44/52/46/557445246.db2.gz MPIDAFVHMVMUMT-HHHXNRCGSA-N 0 0 406.525 6.884 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000003080707 557445311 /nfs/dbraw/zinc/44/53/11/557445311.db2.gz MPIDAFVHMVMUMT-MHZLTWQESA-N 0 0 406.525 6.884 50 0 HKAARN O=C(c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1 ZINC000003080711 569012698 /nfs/dbraw/zinc/01/26/98/569012698.db2.gz BENFYDBMTAEFSP-UHFFFAOYSA-N 0 0 412.579 7.307 50 0 HKAARN CCO[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC ZINC000003082268 568854329 /nfs/dbraw/zinc/85/43/29/568854329.db2.gz AFQVVSFPHHNGNJ-LJQANCHMSA-N 0 0 400.496 6.288 50 0 HKAARN CCO[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC ZINC000003082269 568854323 /nfs/dbraw/zinc/85/43/23/568854323.db2.gz AFQVVSFPHHNGNJ-IBGZPJMESA-N 0 0 400.496 6.288 50 0 HKAARN CCOc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1 ZINC000003082734 568854321 /nfs/dbraw/zinc/85/43/21/568854321.db2.gz BWZHDAICUKFXQF-UHFFFAOYSA-N 0 0 422.291 5.557 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)cc1C ZINC000003084515 568854307 /nfs/dbraw/zinc/85/43/07/568854307.db2.gz JWWPZNKGOMERDR-UHFFFAOYSA-N 0 0 412.599 5.833 50 0 HKAARN Cc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000003084871 568854324 /nfs/dbraw/zinc/85/43/24/568854324.db2.gz VDYQHQGBYDSDPP-UHFFFAOYSA-N 0 0 406.570 5.647 50 0 HKAARN O=C(N[C@H](C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC000003084938 568854330 /nfs/dbraw/zinc/85/43/30/568854330.db2.gz VBKCWEKRKMUSMZ-FQEVSTJZSA-N 0 0 414.288 5.208 50 0 HKAARN O=C(N[C@@H](C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC000003084939 568854272 /nfs/dbraw/zinc/85/42/72/568854272.db2.gz VBKCWEKRKMUSMZ-HXUWFJFHSA-N 0 0 414.288 5.208 50 0 HKAARN O=C(Nc1cc(OC(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccc(Cl)cc1 ZINC000003085275 558747638 /nfs/dbraw/zinc/74/76/38/558747638.db2.gz LSDVHRXBBCRTRS-UHFFFAOYSA-N 0 0 420.679 6.118 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000003086025 557445524 /nfs/dbraw/zinc/44/55/24/557445524.db2.gz BLPCCGMJEAFIPP-UHFFFAOYSA-N 0 0 404.819 6.270 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000003086100 569288853 /nfs/dbraw/zinc/28/88/53/569288853.db2.gz BHIRVABQHKLDMV-UHFFFAOYSA-N 0 0 400.566 7.168 50 0 HKAARN COc1cc(OC)c(NC(=O)OCCOc2ccc3ccccc3c2)cc1Cl ZINC000003086124 557445540 /nfs/dbraw/zinc/44/55/40/557445540.db2.gz JZTUENZVRMSETH-UHFFFAOYSA-N 0 0 401.846 5.138 50 0 HKAARN Cc1cc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1Cl ZINC000003086145 568727618 /nfs/dbraw/zinc/72/76/18/568727618.db2.gz IAJCUTMPBSMBML-UHFFFAOYSA-N 0 0 409.494 6.329 50 0 HKAARN O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000003086362 558684388 /nfs/dbraw/zinc/68/43/88/558684388.db2.gz YKRGQLGNAQIWQW-UHFFFAOYSA-N 0 0 405.517 5.754 50 0 HKAARN Cc1c2cc(Cl)ccc2sc1-c1ccnc(SCc2ccccc2Cl)n1 ZINC000003086629 557445513 /nfs/dbraw/zinc/44/55/13/557445513.db2.gz ZKZXQMOJECKTEW-UHFFFAOYSA-N 0 0 417.386 7.266 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000003087673 557445560 /nfs/dbraw/zinc/44/55/60/557445560.db2.gz SMGVKHLMCCSHTJ-UHFFFAOYSA-N 0 0 404.897 6.698 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000003087682 568854580 /nfs/dbraw/zinc/85/45/80/568854580.db2.gz UEEQYVOHTWMDIF-UHFFFAOYSA-N 0 0 404.535 5.664 50 0 HKAARN CCCN(Cc1ccccc1)C(=S)Oc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000003087683 569322876 /nfs/dbraw/zinc/32/28/76/569322876.db2.gz PZMPBTDRIVRHBN-UHFFFAOYSA-N 0 0 418.562 5.823 50 0 HKAARN CCC1(CC)O[C@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2ccccc21 ZINC000003087906 568854463 /nfs/dbraw/zinc/85/44/63/568854463.db2.gz XSZCLOBAZIHQCR-OAQYLSRUSA-N 0 0 412.327 6.865 50 0 HKAARN CCC1(CC)O[C@@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2ccccc21 ZINC000003087907 568854482 /nfs/dbraw/zinc/85/44/82/568854482.db2.gz XSZCLOBAZIHQCR-NRFANRHFSA-N 0 0 412.327 6.865 50 0 HKAARN FC(F)(F)c1nc(Nc2cc(Cl)ccc2Cl)sc1-c1ccc(Cl)cc1 ZINC000003087917 568854456 /nfs/dbraw/zinc/85/44/56/568854456.db2.gz NDTCDFQHBMVUTN-UHFFFAOYSA-N 0 0 423.674 7.533 50 0 HKAARN Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(Br)cc2)c1 ZINC000003088202 558748298 /nfs/dbraw/zinc/74/82/98/558748298.db2.gz UKXGNBKTWNAAIQ-UHFFFAOYSA-N 0 0 407.355 6.091 50 0 HKAARN CC(C)N(C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc32)cc1)C(C)C ZINC000003088933 558747882 /nfs/dbraw/zinc/74/78/82/558747882.db2.gz CTZTUGHUUZIKIH-UHFFFAOYSA-N 0 0 406.551 5.875 50 0 HKAARN CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000003088975 569322859 /nfs/dbraw/zinc/32/28/59/569322859.db2.gz ZJDYNFDJKITYOO-UHFFFAOYSA-N 0 0 402.535 5.356 50 0 HKAARN CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003089000 558747885 /nfs/dbraw/zinc/74/78/85/558747885.db2.gz ZFQHNSNSRRWRQQ-UHFFFAOYSA-N 0 0 406.551 5.878 50 0 HKAARN CC(C)CN(CC(C)C)C(=S)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000003089200 558747815 /nfs/dbraw/zinc/74/78/15/558747815.db2.gz KCTAZQTXHFCSJU-UHFFFAOYSA-N 0 0 418.990 5.870 50 0 HKAARN CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000003089259 558747801 /nfs/dbraw/zinc/74/78/01/558747801.db2.gz NRBBNGTXSNDRCR-UHFFFAOYSA-N 0 0 406.551 5.878 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)c1C ZINC000003089380 569322910 /nfs/dbraw/zinc/32/29/10/569322910.db2.gz QNYLMYXIBZCXBC-UHFFFAOYSA-N 0 0 412.599 5.833 50 0 HKAARN O=C(Oc1ccc(OC(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000003090080 558747851 /nfs/dbraw/zinc/74/78/51/558747851.db2.gz ASSPERCBYBQGMQ-UHFFFAOYSA-N 0 0 418.448 6.431 50 0 biogenic HKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)oc2cc1C ZINC000003090543 558748064 /nfs/dbraw/zinc/74/80/64/558748064.db2.gz YGQRGVAEZOHOFP-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN Clc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(Oc3ccccc3)n2)cc1 ZINC000003091018 557445492 /nfs/dbraw/zinc/44/54/92/557445492.db2.gz CVTVXWIBRFALJN-UHFFFAOYSA-N 0 0 424.291 6.458 50 0 HKAARN Clc1nc(Nc2cccc3ccccc32)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000003092816 568854687 /nfs/dbraw/zinc/85/46/87/568854687.db2.gz JXFDLFIAUAFLHS-UHFFFAOYSA-N 0 0 423.907 6.892 50 0 HKAARN Cc1cccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000003093629 560588968 /nfs/dbraw/zinc/58/89/68/560588968.db2.gz PJJWNIKVKCSZTR-UHFFFAOYSA-N 0 0 416.480 6.491 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000003094516 557446030 /nfs/dbraw/zinc/44/60/30/557446030.db2.gz GYCQFUXDYYIFMI-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Clc1ccc(OCc2nc3ccccc3n2CCCc2ccccc2)c(Cl)c1 ZINC000003094595 568854974 /nfs/dbraw/zinc/85/49/74/568854974.db2.gz VQNVSELYMKNAGS-UHFFFAOYSA-N 0 0 411.332 6.555 50 0 HKAARN Brc1cccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)c1 ZINC000003094670 558748741 /nfs/dbraw/zinc/74/87/41/558748741.db2.gz WWMVLDWEOZIALX-UHFFFAOYSA-N 0 0 423.335 6.381 50 0 HKAARN CC(NC(=O)Oc1c(Cl)cc(Cl)c2ccccc21)(C(F)(F)F)C(F)(F)F ZINC000003094899 558748719 /nfs/dbraw/zinc/74/87/19/558748719.db2.gz XXMHJCZLLZONIM-UHFFFAOYSA-N 0 0 420.136 6.118 50 0 HKAARN CC(C)(C)[C@]1(O)C=C(c2ccccc2)C[C@@H](c2ccco2)[C@H]1C(=O)c1ccccc1 ZINC000003096167 558780129 /nfs/dbraw/zinc/78/01/29/558780129.db2.gz ZSIGNJWJTLQIQM-DPPGTGKWSA-N 0 0 400.518 6.127 50 0 HKAARN O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1)c1ccccc1 ZINC000003096289 569322894 /nfs/dbraw/zinc/32/28/94/569322894.db2.gz OQTXRMQEWWBPHX-FQEVSTJZSA-N 0 0 414.730 6.529 50 0 HKAARN O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1)c1ccccc1 ZINC000003096290 569322893 /nfs/dbraw/zinc/32/28/93/569322893.db2.gz OQTXRMQEWWBPHX-HXUWFJFHSA-N 0 0 414.730 6.529 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000003100239 558748716 /nfs/dbraw/zinc/74/87/16/558748716.db2.gz QYNACAUPTHISJB-UHFFFAOYSA-N 0 0 410.926 5.785 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCC3)c1 ZINC000003100248 558748674 /nfs/dbraw/zinc/74/86/74/558748674.db2.gz LBHIRMBMLZDOAM-UHFFFAOYSA-N 0 0 424.953 6.093 50 0 HKAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000003100580 558749149 /nfs/dbraw/zinc/74/91/49/558749149.db2.gz IINWCTIDIJTJQL-UHFFFAOYSA-N 0 0 406.353 5.634 50 0 HKAARN O=C(NCCOc1ccccc1Cc1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000003100886 557446410 /nfs/dbraw/zinc/44/64/10/557446410.db2.gz DWYORHLXNCBLSE-UHFFFAOYSA-N 0 0 407.513 5.338 50 0 HKAARN CCCCOc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc(CC)cc2)cc1 ZINC000003100905 569322892 /nfs/dbraw/zinc/32/28/92/569322892.db2.gz JWXDAHDRCISVQQ-HHHXNRCGSA-N 0 0 415.577 7.163 50 0 HKAARN O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1CNc1cc(Cl)ccc1Cl ZINC000003101175 558749111 /nfs/dbraw/zinc/74/91/11/558749111.db2.gz TXMHVWADJQXTGM-CHHVJCJISA-N 0 0 413.713 5.753 50 0 HKAARN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1CNc1ccc(Cl)cc1 ZINC000003101311 568855563 /nfs/dbraw/zinc/85/55/63/568855563.db2.gz KLLBNQQWDOJTKI-OVCLIPMQSA-N 0 0 413.713 5.753 50 0 HKAARN O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CNc1ccc(Cl)cc1 ZINC000003101312 557446721 /nfs/dbraw/zinc/44/67/21/557446721.db2.gz KLLBNQQWDOJTKI-NVNXTCNLSA-N 0 0 413.713 5.753 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000003102160 568727616 /nfs/dbraw/zinc/72/76/16/568727616.db2.gz BNTQDOMTHQRLMA-FQEVSTJZSA-N 0 0 417.505 5.027 50 0 HKAARN Cc1ccccc1C(=O)NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000003103655 557447029 /nfs/dbraw/zinc/44/70/29/557447029.db2.gz VZYHFCLFJMMKHP-UHFFFAOYSA-N 0 0 410.745 5.311 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1sccc1SCc1cccc(C(F)(F)F)c1 ZINC000003104162 568855574 /nfs/dbraw/zinc/85/55/74/568855574.db2.gz DZAYTJFRVLLLHV-UHFFFAOYSA-N 0 0 411.445 6.451 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1sccc1SCc1cccc(C(F)(F)F)c1 ZINC000003104165 568855503 /nfs/dbraw/zinc/85/55/03/568855503.db2.gz UMCWPYGKZKECIB-UHFFFAOYSA-N 0 0 421.509 6.928 50 0 HKAARN O=C(CSc1cccc(C(F)(F)F)c1)NCCSc1ccc(Cl)cc1 ZINC000003104372 568855559 /nfs/dbraw/zinc/85/55/59/568855559.db2.gz GVDFMGQMOFNEEE-UHFFFAOYSA-N 0 0 405.894 5.359 50 0 HKAARN O=C(CSc1ccccc1Cl)NCCSc1ccc(Br)cc1 ZINC000003104398 568855509 /nfs/dbraw/zinc/85/55/09/568855509.db2.gz ZDOUISYCBWAOEX-UHFFFAOYSA-N 0 0 416.793 5.103 50 0 HKAARN COC(=O)c1ccccc1SCc1ccccc1Sc1ccc(Cl)cc1 ZINC000003104408 568855542 /nfs/dbraw/zinc/85/55/42/568855542.db2.gz NIGHUMPEUCXAOC-UHFFFAOYSA-N 0 0 400.952 6.570 50 0 HKAARN FC(F)(F)c1cccc(CSCc2ccccc2Sc2ccc(Cl)cc2)c1 ZINC000003104409 568855590 /nfs/dbraw/zinc/85/55/90/568855590.db2.gz XHFXNOMBHDMGQA-UHFFFAOYSA-N 0 0 424.940 7.943 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CSc1ccccc1Cl ZINC000003104413 568855494 /nfs/dbraw/zinc/85/54/94/568855494.db2.gz CFRFKSGLKHDOMU-UHFFFAOYSA-N 0 0 409.359 6.119 50 0 HKAARN COc1ccc(CSCc2ccccc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003104414 568855472 /nfs/dbraw/zinc/85/54/72/568855472.db2.gz UBJZMTLEICZBHE-UHFFFAOYSA-N 0 0 418.967 5.615 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CSCc1ccc(Cl)cc1 ZINC000003104415 568855483 /nfs/dbraw/zinc/85/54/83/568855483.db2.gz HDHXBMPNVAXKDF-UHFFFAOYSA-N 0 0 423.386 6.260 50 0 HKAARN Clc1ccc(SCc2cc(Sc3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000003104478 568855527 /nfs/dbraw/zinc/85/55/27/568855527.db2.gz VMTMYEOMJCARBF-UHFFFAOYSA-N 0 0 420.990 7.241 50 0 HKAARN Clc1ccc(SCc2cc(NCc3ccccc3)nc(-c3cccnc3)n2)cc1 ZINC000003104485 568855482 /nfs/dbraw/zinc/85/54/82/568855482.db2.gz AVMUZWAXZHCGKL-UHFFFAOYSA-N 0 0 418.953 6.096 50 0 HKAARN CCOC(=O)[C@@H](C)Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000003104489 568855473 /nfs/dbraw/zinc/85/54/73/568855473.db2.gz GYXKBAPQLSOWJR-MRXNPFEDSA-N 0 0 410.564 5.480 50 0 HKAARN CCOC(=O)[C@H](C)Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000003104490 568855736 /nfs/dbraw/zinc/85/57/36/568855736.db2.gz GYXKBAPQLSOWJR-INIZCTEOSA-N 0 0 410.564 5.480 50 0 HKAARN O=[S@@](Cc1cc(N2CCCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000003104520 132262652 /nfs/dbraw/zinc/26/26/52/132262652.db2.gz NUIBHTJLAYBTJS-MUUNZHRXSA-N 0 0 411.958 5.095 50 0 HKAARN O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000003104600 568855752 /nfs/dbraw/zinc/85/57/52/568855752.db2.gz GFQBXMRQGFENBF-MUUNZHRXSA-N 0 0 402.544 5.603 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000003105003 557447023 /nfs/dbraw/zinc/44/70/23/557447023.db2.gz XTAHAOMEVCTAMJ-JXMROGBWSA-N 0 0 407.520 5.651 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000003105086 569278527 /nfs/dbraw/zinc/27/85/27/569278527.db2.gz BZSRIABPHWUAHQ-UHFFFAOYSA-N 0 0 406.532 5.850 50 0 HKAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCSc1ccc(Br)cc1 ZINC000003105116 568855766 /nfs/dbraw/zinc/85/57/66/568855766.db2.gz NGXYAWNKSIEOBZ-UHFFFAOYSA-N 0 0 419.171 5.207 50 0 HKAARN Cc1ccccc1CSc1nnc(NC(=O)Cc2cccc3ccccc32)s1 ZINC000003105202 557446948 /nfs/dbraw/zinc/44/69/48/557446948.db2.gz OXGHZQRVECJMGT-UHFFFAOYSA-N 0 0 405.548 5.473 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000003105461 557447280 /nfs/dbraw/zinc/44/72/80/557447280.db2.gz BYFDYXCZMLSHPK-UHFFFAOYSA-N 0 0 418.518 6.013 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1nnc(SC/C=C/c2ccccc2)s1 ZINC000003105543 557447284 /nfs/dbraw/zinc/44/72/84/557447284.db2.gz UAOKXYBNXCSXDD-JXMROGBWSA-N 0 0 417.559 5.678 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nnsc1Sc1ccc(Cl)cc1 ZINC000003105580 568855704 /nfs/dbraw/zinc/85/57/04/568855704.db2.gz HFHGBWHMLVJXMB-UHFFFAOYSA-N 0 0 415.849 5.614 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nnsc1Sc1ccc(Cl)cc1 ZINC000003105582 568855759 /nfs/dbraw/zinc/85/57/59/568855759.db2.gz QKXDAUGNKVKDJM-UHFFFAOYSA-N 0 0 416.742 5.902 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccccc1Cl ZINC000003105754 568855669 /nfs/dbraw/zinc/85/56/69/568855669.db2.gz CDHXDRMLRIAXCG-UHFFFAOYSA-N 0 0 405.306 6.288 50 0 HKAARN Cc1ccc(SCc2c(Cl)n(C)nc2CSc2ccc(Cl)cc2)cc1 ZINC000003105799 568855775 /nfs/dbraw/zinc/85/57/75/568855775.db2.gz ZXIAUHRDLOGZMP-UHFFFAOYSA-N 0 0 409.407 6.620 50 0 HKAARN Cc1ccccc1SCc1c(Cl)n(C)nc1CSc1ccc(Cl)cc1 ZINC000003105809 568855679 /nfs/dbraw/zinc/85/56/79/568855679.db2.gz VSCUFWYITYCDMT-UHFFFAOYSA-N 0 0 409.407 6.620 50 0 HKAARN Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)c1Cl ZINC000003105814 568855699 /nfs/dbraw/zinc/85/56/99/568855699.db2.gz SORITBMNLJVDLM-UHFFFAOYSA-N 0 0 413.370 6.451 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Cl)cc1 ZINC000003105818 568855734 /nfs/dbraw/zinc/85/57/34/568855734.db2.gz FNPQKDGUZWWSGD-UHFFFAOYSA-N 0 0 405.306 6.288 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCc1cccnc1Sc1ccccc1 ZINC000003105871 568855915 /nfs/dbraw/zinc/85/59/15/568855915.db2.gz VGCQUCKXZIFNHF-UHFFFAOYSA-N 0 0 404.413 6.000 50 0 HKAARN Cc1ccc(SCc2nn(C)c(Cl)c2CSc2ccc(Cl)cc2)cc1 ZINC000003105895 568855968 /nfs/dbraw/zinc/85/59/68/568855968.db2.gz MDFFWWQAMPJFPX-UHFFFAOYSA-N 0 0 409.407 6.620 50 0 HKAARN Cc1ccc(SCc2nn(C)c(Cl)c2CSc2ccccc2Cl)cc1 ZINC000003105908 568855901 /nfs/dbraw/zinc/85/59/01/568855901.db2.gz YXKQKWHRBBQUPG-UHFFFAOYSA-N 0 0 409.407 6.620 50 0 HKAARN CSc1c(Cl)cc(Cl)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003106237 557447297 /nfs/dbraw/zinc/44/72/97/557447297.db2.gz POQBCFIYQAUGMC-UHFFFAOYSA-N 0 0 415.556 6.928 50 0 HKAARN O=C(C[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003107150 557447553 /nfs/dbraw/zinc/44/75/53/557447553.db2.gz DCHYDZKWRVSCIG-IXCJQBJRSA-N 0 0 404.509 6.710 50 0 HKAARN O=C(C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003107151 557447475 /nfs/dbraw/zinc/44/74/75/557447475.db2.gz DCHYDZKWRVSCIG-XTEPFMGCSA-N 0 0 404.509 6.710 50 0 HKAARN O=C(C[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003107152 557447529 /nfs/dbraw/zinc/44/75/29/557447529.db2.gz DCHYDZKWRVSCIG-IAPPQJPRSA-N 0 0 404.509 6.710 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(O)c(-c3ccc(OC)cc3)c2)cc1 ZINC000003107391 557447440 /nfs/dbraw/zinc/44/74/40/557447440.db2.gz ZGLZECKUQXYINL-UHFFFAOYSA-N 0 0 412.485 6.419 50 0 HKAARN CCc1c(CC)c(-c2ccc(C(C)(C)C)cc2)sc1-c1ccc(C(C)(C)C)cc1 ZINC000003107501 568727665 /nfs/dbraw/zinc/72/76/65/568727665.db2.gz KUDQZJDRRCFBHU-UHFFFAOYSA-N 0 0 404.663 8.802 50 0 HKAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 ZINC000003107673 568855892 /nfs/dbraw/zinc/85/58/92/568855892.db2.gz VNBCPEGZYWDQQB-UHFFFAOYSA-N 0 0 400.503 6.046 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 ZINC000003107723 568855911 /nfs/dbraw/zinc/85/59/11/568855911.db2.gz BORZYJDERKAKHG-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000003107724 569322959 /nfs/dbraw/zinc/32/29/59/569322959.db2.gz OVKZYGNHKWFJNN-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ccncc2)n1 ZINC000003108073 568855937 /nfs/dbraw/zinc/85/59/37/568855937.db2.gz WUDPHORBDKWPIA-UHFFFAOYSA-N 0 0 417.334 5.495 50 0 HKAARN CCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000003108104 568855971 /nfs/dbraw/zinc/85/59/71/568855971.db2.gz QSEFCIIXEMIDKJ-UHFFFAOYSA-N 0 0 403.522 6.489 50 0 HKAARN CCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000003108106 568855852 /nfs/dbraw/zinc/85/58/52/568855852.db2.gz FZZYNRUBESLJHJ-UHFFFAOYSA-N 0 0 417.505 5.877 50 0 HKAARN CCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000003108129 568855982 /nfs/dbraw/zinc/85/59/82/568855982.db2.gz AODJGQVMLQKAQM-UHFFFAOYSA-N 0 0 403.522 6.489 50 0 HKAARN CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)nc1 ZINC000003108140 558749341 /nfs/dbraw/zinc/74/93/41/558749341.db2.gz OQNYXIBKCTUCDF-UHFFFAOYSA-N 0 0 403.522 6.489 50 0 HKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2)nc1 ZINC000003108141 568855985 /nfs/dbraw/zinc/85/59/85/568855985.db2.gz LNPWYIPPFVBAIN-UHFFFAOYSA-N 0 0 402.494 5.520 50 0 HKAARN CCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000003108152 568855845 /nfs/dbraw/zinc/85/58/45/568855845.db2.gz IFXWUBNIIDSNLU-UHFFFAOYSA-N 0 0 402.538 6.522 50 0 HKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000003108179 569320588 /nfs/dbraw/zinc/32/05/88/569320588.db2.gz CUXBUVJAYZHLRJ-UHFFFAOYSA-N 0 0 403.301 5.224 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000003108180 568855872 /nfs/dbraw/zinc/85/58/72/568855872.db2.gz JEWBTLDQGKXZQE-UHFFFAOYSA-N 0 0 424.294 5.331 50 0 HKAARN CCCC1CCC(C2CCC(OC(=O)c3cncc(Br)c3)CC2)CC1 ZINC000003108271 568855876 /nfs/dbraw/zinc/85/58/76/568855876.db2.gz KZRGRUFWRMTJSW-UHFFFAOYSA-N 0 0 408.380 6.166 50 0 HKAARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000003108290 558749321 /nfs/dbraw/zinc/74/93/21/558749321.db2.gz DEMBEXXFHXPVQQ-UHFFFAOYSA-N 0 0 420.597 5.989 50 0 HKAARN Cc1cccc(C)c1NC(=O)C1(NC(=O)Cc2ccccc2)CCC(C(C)(C)C)CC1 ZINC000003108292 558749312 /nfs/dbraw/zinc/74/93/12/558749312.db2.gz XOJONWICUBZCDD-UHFFFAOYSA-N 0 0 420.597 5.576 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)nc2c1 ZINC000003108384 568855899 /nfs/dbraw/zinc/85/58/99/568855899.db2.gz QSGQSEFFTIQPDZ-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000003108415 568855848 /nfs/dbraw/zinc/85/58/48/568855848.db2.gz PWGHXKUQAFOMGW-JLPGSUDCSA-N 0 0 401.171 5.090 50 0 HKAARN FC(F)(F)c1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000003108429 558749302 /nfs/dbraw/zinc/74/93/02/558749302.db2.gz ULYKAHYOWCYSHP-QYQHSDTDSA-N 0 0 405.379 6.227 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000003108441 569323018 /nfs/dbraw/zinc/32/30/18/569323018.db2.gz OXGFIYRDLWKSJM-UHFFFAOYSA-N 0 0 402.155 5.371 50 0 HKAARN O=C(Oc1ccc(I)cc1)C(c1ccccc1)c1ccccc1 ZINC000003108470 558749347 /nfs/dbraw/zinc/74/93/47/558749347.db2.gz ANVJOOWHUJQQPE-UHFFFAOYSA-N 0 0 414.242 5.029 50 0 HKAARN CCCCC[C@H]1CCc2nc(-c3ccc(I)cc3)ccc2C1 ZINC000003108566 558749307 /nfs/dbraw/zinc/74/93/07/558749307.db2.gz MBKKYSYMPJYVRP-HNNXBMFYSA-N 0 0 405.323 6.038 50 0 HKAARN CCCCC[C@@H]1CCc2nc(-c3ccc(I)cc3)ccc2C1 ZINC000003108567 558749357 /nfs/dbraw/zinc/74/93/57/558749357.db2.gz MBKKYSYMPJYVRP-OAHLLOKOSA-N 0 0 405.323 6.038 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccccc1F ZINC000003108681 569322952 /nfs/dbraw/zinc/32/29/52/569322952.db2.gz LUHHQPFWTHNNJG-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN CCCCCCc1cc2cc(-c3nnc(-c4ccccc4OC)o3)c(=O)oc2cc1O ZINC000003108692 569323039 /nfs/dbraw/zinc/32/30/39/569323039.db2.gz MZZKEXKIKDZDRE-UHFFFAOYSA-N 0 0 420.465 5.347 50 0 HKAARN CCCCC12CCC(CCc3ccc(C(=O)Cc4ccc(F)cc4)cc3)(CC1)CC2 ZINC000003108763 568856204 /nfs/dbraw/zinc/85/62/04/568856204.db2.gz DFPSZFWPXCYVNW-UHFFFAOYSA-N 0 0 406.585 7.715 50 0 HKAARN CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000003109155 558749565 /nfs/dbraw/zinc/74/95/65/558749565.db2.gz WVCCHOLYEZLICC-UHFFFAOYSA-N 0 0 416.374 5.564 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003109488 569323031 /nfs/dbraw/zinc/32/30/31/569323031.db2.gz IKYHKXUNCOYBCN-UHFFFAOYSA-N 0 0 402.346 6.846 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Cl ZINC000003109489 569322949 /nfs/dbraw/zinc/32/29/49/569322949.db2.gz VIVPMLZPGCOYGU-UHFFFAOYSA-N 0 0 402.346 6.846 50 0 HKAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1)c1ccccc1 ZINC000003109761 558749526 /nfs/dbraw/zinc/74/95/26/558749526.db2.gz QJENSKIESDIBFE-UHFFFAOYSA-N 0 0 424.909 5.440 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCCCC2)cc1 ZINC000003109765 558749536 /nfs/dbraw/zinc/74/95/36/558749536.db2.gz VRODAYLSIJDGLG-UHFFFAOYSA-N 0 0 416.930 5.127 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)c1 ZINC000003111091 568856299 /nfs/dbraw/zinc/85/62/99/568856299.db2.gz WIMDBNCXZGNCPI-UHFFFAOYSA-N 0 0 414.324 5.861 50 0 HKAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cccc(Cl)c1 ZINC000003111093 568856389 /nfs/dbraw/zinc/85/63/89/568856389.db2.gz STMBZQHYXAIRFP-UHFFFAOYSA-N 0 0 418.743 6.506 50 0 HKAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1c(F)cccc1F ZINC000003111095 568856332 /nfs/dbraw/zinc/85/63/32/568856332.db2.gz YEAVGJQRSFJXQT-UHFFFAOYSA-N 0 0 420.278 6.131 50 0 HKAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000003111096 568856415 /nfs/dbraw/zinc/85/64/15/568856415.db2.gz WMTPHVMFKXXEDL-UHFFFAOYSA-N 0 0 402.288 5.992 50 0 HKAARN O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C(Cl)(Cl)Cl ZINC000003111108 568856396 /nfs/dbraw/zinc/85/63/96/568856396.db2.gz AFNIQADLSWRIGK-UHFFFAOYSA-N 0 0 414.663 6.165 50 0 HKAARN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1Cl ZINC000003111134 568856253 /nfs/dbraw/zinc/85/62/53/568856253.db2.gz FNZABGLHPONLFU-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cc(Cl)ccc1Cl ZINC000003111140 568856407 /nfs/dbraw/zinc/85/64/07/568856407.db2.gz QTFYNAYSMRFHAA-UHFFFAOYSA-N 0 0 416.095 5.442 50 0 HKAARN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cc(Cl)ccc1Cl ZINC000003111160 568856296 /nfs/dbraw/zinc/85/62/96/568856296.db2.gz RXOLPXOTXLVSMG-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003111173 568856276 /nfs/dbraw/zinc/85/62/76/568856276.db2.gz LMVBKDMMDBFSPC-UHFFFAOYSA-N 0 0 422.764 7.191 50 0 HKAARN O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000003111174 568856379 /nfs/dbraw/zinc/85/63/79/568856379.db2.gz KRQOZCOWIFZBHN-UHFFFAOYSA-N 0 0 421.871 6.903 50 0 HKAARN CCCCc1ccc(N[C@@H](CC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000003112399 569323027 /nfs/dbraw/zinc/32/30/27/569323027.db2.gz WRWVREYJSDCDAZ-VWLOTQADSA-N 0 0 421.968 7.117 50 0 HKAARN CCCCc1ccc(N[C@H](CC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000003112400 569322998 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O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1cccc(Cl)c1Cl ZINC000003116611 568856453 /nfs/dbraw/zinc/85/64/53/568856453.db2.gz FZTHQZCTPHQRNH-UHFFFAOYSA-N 0 0 406.309 6.677 50 0 HKAARN O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000003116617 568856575 /nfs/dbraw/zinc/85/65/75/568856575.db2.gz IOZOYFCVISSLRV-UHFFFAOYSA-N 0 0 422.764 7.191 50 0 HKAARN Cc1sc(-c2ccc(Cl)cc2)nc1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003116667 568856601 /nfs/dbraw/zinc/85/66/01/568856601.db2.gz SAWZMFZBHUNOGB-UHFFFAOYSA-N 0 0 412.820 6.402 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl ZINC000003116762 568856538 /nfs/dbraw/zinc/85/65/38/568856538.db2.gz QMTUBGHFHKDLIF-UHFFFAOYSA-N 0 0 408.737 7.050 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000003116771 568856573 /nfs/dbraw/zinc/85/65/73/568856573.db2.gz IXJPGMJIAKKGQD-UHFFFAOYSA-N 0 0 407.844 6.762 50 0 HKAARN CC(C)(C)c1ccc(OC(F)(F)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000003116798 568856502 /nfs/dbraw/zinc/85/65/02/568856502.db2.gz INDHORPKAXHFCV-UHFFFAOYSA-N 0 0 403.347 5.493 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003116999 568856528 /nfs/dbraw/zinc/85/65/28/568856528.db2.gz STSAXKLKRGZAAE-UHFFFAOYSA-N 0 0 400.130 5.623 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003117000 568856535 /nfs/dbraw/zinc/85/65/35/568856535.db2.gz GHEMKMSVOOYCEG-UHFFFAOYSA-N 0 0 400.130 5.623 50 0 HKAARN O=C(Nc1ccc(Br)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003117002 568856602 /nfs/dbraw/zinc/85/66/02/568856602.db2.gz TZPSBAXELUPZOE-UHFFFAOYSA-N 0 0 410.136 5.078 50 0 HKAARN O=C(Nc1c(Cl)cccc1Cl)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003117007 568856481 /nfs/dbraw/zinc/85/64/81/568856481.db2.gz PNPCFTMNXYDUAR-UHFFFAOYSA-N 0 0 400.130 5.623 50 0 HKAARN O=C(Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000003117038 568856474 /nfs/dbraw/zinc/85/64/74/568856474.db2.gz QWYHPFOMJRGPBX-UHFFFAOYSA-N 0 0 421.871 6.903 50 0 HKAARN O=C(Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1)c1c(F)cccc1F ZINC000003117039 568856589 /nfs/dbraw/zinc/85/65/89/568856589.db2.gz DEXHDCBIICKOKJ-UHFFFAOYSA-N 0 0 423.406 6.528 50 0 HKAARN Cc1ccc(SCc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000003117045 568856449 /nfs/dbraw/zinc/85/64/49/568856449.db2.gz PYWDYXYAWAIYKS-UHFFFAOYSA-N 0 0 402.346 6.846 50 0 HKAARN Cc1ccc(SCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000003117046 568856486 /nfs/dbraw/zinc/85/64/86/568856486.db2.gz YLNLYQXYZWMTLR-UHFFFAOYSA-N 0 0 402.346 6.846 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000003117569 560626597 /nfs/dbraw/zinc/62/65/97/560626597.db2.gz IOZIZOCLUGNJKD-UHFFFAOYSA-N 0 0 410.701 5.112 50 0 HKAARN O=C(Nc1ccc(Br)cc1Br)Oc1cccc2cccnc21 ZINC000003117706 568856466 /nfs/dbraw/zinc/85/64/66/568856466.db2.gz IKLYEMWOQXBZLW-UHFFFAOYSA-N 0 0 422.076 5.371 50 0 HKAARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(Cl)cc1 ZINC000003117719 560626599 /nfs/dbraw/zinc/62/65/99/560626599.db2.gz OEHYDKPUCYVKDK-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN COc1ccc2cc(-c3nn(-c4ccc(F)cc4)cc3C)ccc2c1Br ZINC000003118823 568856583 /nfs/dbraw/zinc/85/65/83/568856583.db2.gz XJLJHESHMVDJQB-UHFFFAOYSA-N 0 0 411.274 5.911 50 0 HKAARN O=C(CSc1cccc[n+]1[O-])c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000003118901 568856444 /nfs/dbraw/zinc/85/64/44/568856444.db2.gz NKHVNZHAHWAZRC-UHFFFAOYSA-N 0 0 406.290 5.394 50 0 HKAARN O=C1CC(c2c(Cl)cccc2Cl)CC(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000003119467 132262923 /nfs/dbraw/zinc/26/29/23/132262923.db2.gz DUQBXIZMBRYZFC-UHFFFAOYSA-N 0 0 403.092 5.737 50 0 HKAARN Cc1oc2c(c1C(=O)Oc1ccc(Br)cc1)c(F)c(F)c(F)c2F ZINC000003119777 557448053 /nfs/dbraw/zinc/44/80/53/557448053.db2.gz WBCJSTYSTABZFI-UHFFFAOYSA-N 0 0 403.125 5.279 50 0 HKAARN Clc1ccc(CSc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)c(Cl)c1 ZINC000003119809 557447949 /nfs/dbraw/zinc/44/79/49/557447949.db2.gz PVQFVSOHQSIILR-UHFFFAOYSA-N 0 0 405.137 6.378 50 0 HKAARN COCCCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003119819 557448227 /nfs/dbraw/zinc/44/82/27/557448227.db2.gz 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Brc1ccc(Oc2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000003172306 557453078 /nfs/dbraw/zinc/45/30/78/557453078.db2.gz XQKSVQFPTJGNQH-UHFFFAOYSA-N 0 0 420.100 6.796 50 0 biogenic HKAARN c1ccc(-c2ccccc2O[C@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1 ZINC000003172662 568476621 /nfs/dbraw/zinc/47/66/21/568476621.db2.gz YAXDSMYNNBMXKF-VSGBNLITSA-N 0 0 424.496 6.177 50 0 HKAARN c1ccc(-c2ccccc2O[C@@H]2OCCO[C@H]2Oc2ccccc2-c2ccccc2)cc1 ZINC000003172664 568476641 /nfs/dbraw/zinc/47/66/41/568476641.db2.gz YAXDSMYNNBMXKF-NSOVKSMOSA-N 0 0 424.496 6.177 50 0 HKAARN Cc1ccc(-c2nnc(Oc3ccc(Br)cc3)c3ccccc32)cc1C ZINC000003172877 568859691 /nfs/dbraw/zinc/85/96/91/568859691.db2.gz IMTWKWKJJIGVCS-UHFFFAOYSA-N 0 0 405.295 6.468 50 0 HKAARN Cc1cc2sc(NC(=O)C(C)(C)c3ccc(Br)cc3)nc2cc1Cl ZINC000003172880 568859735 /nfs/dbraw/zinc/85/97/35/568859735.db2.gz QSFWWLWCZAQGBK-UHFFFAOYSA-N 0 0 423.763 5.937 50 0 HKAARN O=C1c2ccccc2/C(=C\NCc2ccccc2)C(=O)N1c1ccccc1C(F)(F)F ZINC000003172917 132263058 /nfs/dbraw/zinc/26/30/58/132263058.db2.gz BKIZBMMYDHIXBY-XDJHFCHBSA-N 0 0 422.406 5.023 50 0 HKAARN O=C1c2ccccc2C(=CNc2cccc(O)c2)C(=O)N1c1ccccc1C(F)(F)F ZINC000003172976 132263053 /nfs/dbraw/zinc/26/30/53/132263053.db2.gz MLTAIOBYRAFPEB-QGOAFFKASA-N 0 0 424.378 5.051 50 0 HKAARN c1ccc2c(c1)oc1c2ncnc1NCCCCNc1ncnc2c3ccccc3oc21 ZINC000003173163 568859678 /nfs/dbraw/zinc/85/96/78/568859678.db2.gz JLJHRGVERWEOEH-UHFFFAOYSA-N 0 0 424.464 5.370 50 0 HKAARN Cc1ccc(Oc2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000003173367 568859720 /nfs/dbraw/zinc/85/97/20/568859720.db2.gz JXAIJBAOIJVFJA-UHFFFAOYSA-N 0 0 415.533 5.647 50 0 HKAARN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1Cl ZINC000003173762 568859663 /nfs/dbraw/zinc/85/96/63/568859663.db2.gz PUEZOTNZCVNKJA-UHFFFAOYSA-N 0 0 405.860 5.893 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003173786 568859704 /nfs/dbraw/zinc/85/97/04/568859704.db2.gz MOOOMVNFEZXYHD-UHFFFAOYSA-N 0 0 408.288 6.098 50 0 HKAARN CCCCN(CCCC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003173935 568859775 /nfs/dbraw/zinc/85/97/75/568859775.db2.gz QWDIFTOQTXNZNL-UHFFFAOYSA-N 0 0 411.551 7.911 50 0 HKAARN Cc1ccc(OCCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000003174399 560588664 /nfs/dbraw/zinc/58/86/64/560588664.db2.gz NVFUSBNYHNAISH-UHFFFAOYSA-N 0 0 402.210 5.184 50 0 HKAARN O=P1(N2CCc3ccccc3C2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174487 568859733 /nfs/dbraw/zinc/85/97/33/568859733.db2.gz AQYVJNAYHHTCDT-UHFFFAOYSA-N 0 0 415.498 7.067 50 0 HKAARN CN(C)c1ccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 ZINC000003174522 568859795 /nfs/dbraw/zinc/85/97/95/568859795.db2.gz GDDPXFRTUGBNIY-UHFFFAOYSA-N 0 0 418.502 7.187 50 0 HKAARN COc1cccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)c1 ZINC000003174528 568859666 /nfs/dbraw/zinc/85/96/66/568859666.db2.gz CXQRSXZJFIWMQX-UHFFFAOYSA-N 0 0 405.459 7.129 50 0 HKAARN O=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174529 568859790 /nfs/dbraw/zinc/85/97/90/568859790.db2.gz HJAIQYCKPZNRJQ-UHFFFAOYSA-N 0 0 423.905 7.452 50 0 HKAARN CN(Cc1ccccc1)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174572 568859741 /nfs/dbraw/zinc/85/97/41/568859741.db2.gz FFKVRIHOKNLGDO-UHFFFAOYSA-N 0 0 403.487 7.141 50 0 HKAARN COCCN(CCOC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174587 568859696 /nfs/dbraw/zinc/85/96/96/568859696.db2.gz LTNUGNIXXVFYNX-UHFFFAOYSA-N 0 0 415.495 5.603 50 0 HKAARN CN(C)c1cccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)c1 ZINC000003174612 568859709 /nfs/dbraw/zinc/85/97/09/568859709.db2.gz SKYOGJPPRKFUFZ-UHFFFAOYSA-N 0 0 418.502 7.187 50 0 HKAARN COc1ccccc1NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000003174615 568859772 /nfs/dbraw/zinc/85/97/72/568859772.db2.gz IJBWLJRNMXIFAA-UHFFFAOYSA-N 0 0 405.459 7.129 50 0 HKAARN Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F ZINC000003174704 568859728 /nfs/dbraw/zinc/85/97/28/568859728.db2.gz LKGCVUIDLOLTOM-LRDDRELGSA-N 0 0 403.712 5.606 50 0 HKAARN Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F ZINC000003174706 568859688 /nfs/dbraw/zinc/85/96/88/568859688.db2.gz LKGCVUIDLOLTOM-BLLLJJGKSA-N 0 0 403.712 5.606 50 0 HKAARN Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F ZINC000003174708 568859769 /nfs/dbraw/zinc/85/97/69/568859769.db2.gz LKGCVUIDLOLTOM-WBMJQRKESA-N 0 0 403.712 5.606 50 0 HKAARN Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F ZINC000003174710 568859684 /nfs/dbraw/zinc/85/96/84/568859684.db2.gz LKGCVUIDLOLTOM-MLGOLLRUSA-N 0 0 403.712 5.606 50 0 HKAARN CC(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1 ZINC000003174915 568859778 /nfs/dbraw/zinc/85/97/78/568859778.db2.gz WNSNAOLPZXISCR-UHFFFAOYSA-N 0 0 418.534 6.424 50 0 HKAARN Cc1cc(C)c(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)c(C)c1 ZINC000003174970 568859750 /nfs/dbraw/zinc/85/97/50/568859750.db2.gz DEFHJKJWXDDHSP-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN COc1cccc2sc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)nc21 ZINC000003175446 568859746 /nfs/dbraw/zinc/85/97/46/568859746.db2.gz WQCIFIMJASLNQS-UHFFFAOYSA-N 0 0 417.515 5.834 50 0 HKAARN O=C(Nc1nc2c(cccc2Cl)s1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003175533 568859788 /nfs/dbraw/zinc/85/97/88/568859788.db2.gz PMXLIJFCASIKAX-UHFFFAOYSA-N 0 0 415.905 6.417 50 0 HKAARN CCCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCCC ZINC000003175641 557453337 /nfs/dbraw/zinc/45/33/37/557453337.db2.gz OXFFYCMTRGFSGY-SNDHGLFQSA-N 0 0 406.522 5.196 50 0 HKAARN CCCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCCC ZINC000003175642 557453294 /nfs/dbraw/zinc/45/32/94/557453294.db2.gz OXFFYCMTRGFSGY-MXXWWZHRSA-N 0 0 406.522 5.196 50 0 HKAARN COc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc21 ZINC000003175973 568477454 /nfs/dbraw/zinc/47/74/54/568477454.db2.gz LRKXVVGKSIRLHF-UHFFFAOYSA-N 0 0 420.277 5.371 50 0 HKAARN O=C1c2ccccc2/C(=C\NCc2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl ZINC000003176048 132263065 /nfs/dbraw/zinc/26/30/65/132263065.db2.gz CEEXROUHRMEZST-XMHGGMMESA-N 0 0 423.299 5.311 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 ZINC000003176061 557453277 /nfs/dbraw/zinc/45/32/77/557453277.db2.gz BOHHRLSIRYDAAE-UHFFFAOYSA-N 0 0 424.696 6.015 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2c1 ZINC000003176083 569323035 /nfs/dbraw/zinc/32/30/35/569323035.db2.gz DPWMBYLYCZHGCG-UHFFFAOYSA-N 0 0 410.474 5.040 50 0 biogenic HKAARN COc1ccc2cc(Br)ccc2c1CSc1cccc2cccnc21 ZINC000003176172 557453261 /nfs/dbraw/zinc/45/32/61/557453261.db2.gz XTVRCJWHUCXCBP-UHFFFAOYSA-N 0 0 410.336 6.451 50 0 HKAARN C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1c1ccc2c(c1)OCCO2 ZINC000003176349 534451675 /nfs/dbraw/zinc/45/16/75/534451675.db2.gz AYOCPOFYNFLRBR-UHFFFAOYSA-N 0 0 408.501 6.060 50 0 HKAARN Clc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c(Cl)c1 ZINC000003176375 568859839 /nfs/dbraw/zinc/85/98/39/568859839.db2.gz CNTFZXAOIQSXRG-UHFFFAOYSA-N 0 0 405.310 5.104 50 0 HKAARN CCCCCCc1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003176751 568859961 /nfs/dbraw/zinc/85/99/61/568859961.db2.gz UFINLVYCVVBUEN-GOSISDBHSA-N 0 0 407.813 6.080 50 0 HKAARN CCCCCCc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003176752 568859865 /nfs/dbraw/zinc/85/98/65/568859865.db2.gz UFINLVYCVVBUEN-SFHVURJKSA-N 0 0 407.813 6.080 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1 ZINC000003176830 560588651 /nfs/dbraw/zinc/58/86/51/560588651.db2.gz AHPOIMFKFPZKKR-UHFFFAOYSA-N 0 0 408.420 5.916 50 0 HKAARN Cc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1C ZINC000003177031 568859817 /nfs/dbraw/zinc/85/98/17/568859817.db2.gz IODIDYIHMYFPMH-UHFFFAOYSA-N 0 0 422.248 7.288 50 0 HKAARN COc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1 ZINC000003177061 568859959 /nfs/dbraw/zinc/85/99/59/568859959.db2.gz NPOUIJYZALOZKH-UHFFFAOYSA-N 0 0 411.438 6.607 50 0 HKAARN Cc1cccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2cccc(C)c2)c1 ZINC000003177064 560588670 /nfs/dbraw/zinc/58/86/70/560588670.db2.gz DCBFTCNNUGRIQR-UHFFFAOYSA-N 0 0 411.438 6.769 50 0 HKAARN Cc1ccc(C)c(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1 ZINC000003177088 568859891 /nfs/dbraw/zinc/85/98/91/568859891.db2.gz QRIRYYAZKZFFLZ-UHFFFAOYSA-N 0 0 409.466 7.215 50 0 HKAARN Cc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c(C)c1 ZINC000003177090 560588755 /nfs/dbraw/zinc/58/87/55/560588755.db2.gz OGIPPVVWZQHABA-UHFFFAOYSA-N 0 0 409.466 7.215 50 0 HKAARN O=P(Nc1ccc(F)cc1)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000003177106 560588729 /nfs/dbraw/zinc/58/87/29/560588729.db2.gz UPCOIYASYNOZSR-UHFFFAOYSA-N 0 0 412.184 6.811 50 0 HKAARN O=P(Nc1ccccc1F)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000003177113 560588714 /nfs/dbraw/zinc/58/87/14/560588714.db2.gz VMHXLPJOHMHITK-UHFFFAOYSA-N 0 0 412.184 6.811 50 0 HKAARN CCOc1cccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c1 ZINC000003177117 560588717 /nfs/dbraw/zinc/58/87/17/560588717.db2.gz LBCJFLZTCXXGPZ-UHFFFAOYSA-N 0 0 405.337 6.042 50 0 HKAARN Cc1cc(/C=C/c2cccc3ccccc23)c(C)cc1/C=C/c1cccc2ccccc12 ZINC000003177336 568859829 /nfs/dbraw/zinc/85/98/29/568859829.db2.gz KQUVAMCVJPVZAF-XPWSMXQVSA-N 0 0 410.560 8.951 50 0 HKAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc21 ZINC000003177347 568859941 /nfs/dbraw/zinc/85/99/41/568859941.db2.gz CQSFXWNNBZOPOH-UHFFFAOYSA-N 0 0 420.292 5.672 50 0 HKAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)Nc3ccc(Cl)cc3)cc21 ZINC000003177422 560588774 /nfs/dbraw/zinc/58/87/74/560588774.db2.gz HYFVHTQICFQKRV-UHFFFAOYSA-N 0 0 400.862 5.411 50 0 HKAARN O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003177962 568859956 /nfs/dbraw/zinc/85/99/56/568859956.db2.gz XOBVPKRXIKYFOU-UHFFFAOYSA-N 0 0 419.556 6.401 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003178422 560588786 /nfs/dbraw/zinc/58/87/86/560588786.db2.gz MXGHLZQIXMEFAY-UHFFFAOYSA-N 0 0 413.527 6.339 50 0 HKAARN O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003178425 568860085 /nfs/dbraw/zinc/86/00/85/568860085.db2.gz BSEAOVSEGHOWMX-UHFFFAOYSA-N 0 0 413.527 6.339 50 0 HKAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000003178916 568860149 /nfs/dbraw/zinc/86/01/49/568860149.db2.gz LBNUWSCJIYNCKA-UHFFFAOYSA-N 0 0 412.486 6.530 50 0 HKAARN COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 ZINC000003179268 560886660 /nfs/dbraw/zinc/88/66/60/560886660.db2.gz SUIMQEIKTRDUTN-WEVVVXLNSA-N 0 0 419.333 5.701 50 0 HKAARN O=C(NC1CCCCC1)c1cc2cc(Br)cc(Br)c2o1 ZINC000003179565 568860138 /nfs/dbraw/zinc/86/01/38/568860138.db2.gz CJSBACCKGPDQOK-UHFFFAOYSA-N 0 0 401.098 5.020 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003179679 557453763 /nfs/dbraw/zinc/45/37/63/557453763.db2.gz RPIMFGRBWFBOCW-UHFFFAOYSA-N 0 0 400.950 6.411 50 0 HKAARN FC(F)(F)c1cc(SCc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1 ZINC000003179834 557453754 /nfs/dbraw/zinc/45/37/54/557453754.db2.gz GKMVRGVOPJKAFL-UHFFFAOYSA-N 0 0 405.190 7.323 50 0 HKAARN O=C1c2ccccc2C(=CNc2ccc(O)cc2)C(=O)N1c1ccccc1C(F)(F)F ZINC000003180506 132263033 /nfs/dbraw/zinc/26/30/33/132263033.db2.gz KEDDDLRVRMFLOH-QGOAFFKASA-N 0 0 424.378 5.051 50 0 HKAARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000003180650 557453773 /nfs/dbraw/zinc/45/37/73/557453773.db2.gz OENCHEBBVZSWKN-FQEVSTJZSA-N 0 0 402.346 6.682 50 0 HKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 ZINC000003180764 568860032 /nfs/dbraw/zinc/86/00/32/568860032.db2.gz LKZMKXQIYSQRFC-NXEZZACHSA-N 0 0 415.125 5.076 50 0 HKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 ZINC000003180766 568860119 /nfs/dbraw/zinc/86/01/19/568860119.db2.gz LKZMKXQIYSQRFC-UWVGGRQHSA-N 0 0 415.125 5.076 50 0 HKAARN COc1ccccc1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003181235 568860108 /nfs/dbraw/zinc/86/01/08/568860108.db2.gz TVBLOANYHOWSKT-DTQAZKPQSA-N 0 0 413.452 5.339 50 0 HKAARN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1ccccc1 ZINC000003181427 557453917 /nfs/dbraw/zinc/45/39/17/557453917.db2.gz ZVCWZFZAUGZHKU-UHFFFAOYSA-N 0 0 408.284 7.191 50 0 HKAARN CCC(=O)c1ccc(C(C)C)cc1NN1c2cc(C(C)C)ccc2C(=O)[C@]1(C)OC ZINC000003181477 568860300 /nfs/dbraw/zinc/86/03/00/568860300.db2.gz MDDISCDAGZFSKN-VWLOTQADSA-N 0 0 408.542 5.919 50 0 HKAARN CCC(=O)c1ccc(C(C)C)cc1NN1c2cc(C(C)C)ccc2C(=O)[C@@]1(C)OC ZINC000003181478 568860324 /nfs/dbraw/zinc/86/03/24/568860324.db2.gz MDDISCDAGZFSKN-RUZDIDTESA-N 0 0 408.542 5.919 50 0 HKAARN CCO[C@@]1(C)C(=O)c2ccc(C(C)C)cc2N1Nc1cc(C(C)C)ccc1C(=O)CC ZINC000003181482 568478442 /nfs/dbraw/zinc/47/84/42/568478442.db2.gz VMSBCKSFUGTZJC-SANMLTNESA-N 0 0 422.569 6.309 50 0 HKAARN CCO[C@]1(C)C(=O)c2ccc(C(C)C)cc2N1Nc1cc(C(C)C)ccc1C(=O)CC ZINC000003181483 568478463 /nfs/dbraw/zinc/47/84/63/568478463.db2.gz VMSBCKSFUGTZJC-AREMUKBSSA-N 0 0 422.569 6.309 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3C(F)(F)F)cc12 ZINC000003181512 568860288 /nfs/dbraw/zinc/86/02/88/568860288.db2.gz VIJROEIZNXRRSD-UHFFFAOYSA-N 0 0 401.413 5.667 50 0 HKAARN Cc1oc2ccc(OC(=O)c3ccc(F)cc3)cc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000003181640 568860309 /nfs/dbraw/zinc/86/03/09/568860309.db2.gz MXSQVNRNZPVSDU-UHFFFAOYSA-N 0 0 424.811 5.905 50 0 HKAARN Clc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000003182206 568860302 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O=C(Oc1ccc2ccccc2c1Br)c1ccc(-c2ccccc2)cc1 ZINC000003183471 557453851 /nfs/dbraw/zinc/45/38/51/557453851.db2.gz CLNXNVGPTTYLFJ-UHFFFAOYSA-N 0 0 403.275 6.489 50 0 HKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000003183509 568860222 /nfs/dbraw/zinc/86/02/22/568860222.db2.gz JGIJZXSOQXZLQC-UHFFFAOYSA-N 0 0 414.317 6.914 50 0 HKAARN O=C(c1c(-c2ccccc2)c2c3n1cc(-c1ccccc1)n3CCCC2)C(F)(F)F ZINC000003183556 568860213 /nfs/dbraw/zinc/86/02/13/568860213.db2.gz OOYRLFAIGUUZAA-UHFFFAOYSA-N 0 0 408.423 6.156 50 0 HKAARN CCOc1ccc(NC(=O)N[C@@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 ZINC000003184218 560588753 /nfs/dbraw/zinc/58/87/53/560588753.db2.gz DSRZOTSEJZANBG-INIZCTEOSA-N 0 0 419.711 5.766 50 0 HKAARN CCOc1ccc(NC(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 ZINC000003184219 560588721 /nfs/dbraw/zinc/58/87/21/560588721.db2.gz DSRZOTSEJZANBG-MRXNPFEDSA-N 0 0 419.711 5.766 50 0 HKAARN CN1c2ccccc2C(C)(C)/C1=C1\C=NN(c2ccccc2)[P@]1(=O)N1CCCC1 ZINC000003184762 560886763 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c1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 ZINC000003185611 557454173 /nfs/dbraw/zinc/45/41/73/557454173.db2.gz TXCRPSSBZSPFPF-SSEXGKCCSA-N 0 0 413.520 7.352 50 0 HKAARN c1c2c(n(Cc3ccccc3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 ZINC000003185612 557454164 /nfs/dbraw/zinc/45/41/64/557454164.db2.gz TXCRPSSBZSPFPF-PMERELPUSA-N 0 0 413.520 7.352 50 0 HKAARN O=C(Nc1cccc(Cl)c1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000003185696 560588762 /nfs/dbraw/zinc/58/87/62/560588762.db2.gz SDWYWTXGPNCKPO-FUUAZDAISA-N 0 0 402.881 5.306 50 0 HKAARN Cc1c(C)c(C)c(CSc2ccccc2N[C@@H]2OC(=O)c3ccccc32)c(C)c1C ZINC000003185768 557454141 /nfs/dbraw/zinc/45/41/41/557454141.db2.gz SNCWOHVUIOUNFY-RUZDIDTESA-N 0 0 417.574 6.802 50 0 HKAARN Cc1c(C)c(C)c(CSc2ccccc2N[C@H]2OC(=O)c3ccccc32)c(C)c1C ZINC000003185771 557454185 /nfs/dbraw/zinc/45/41/85/557454185.db2.gz SNCWOHVUIOUNFY-VWLOTQADSA-N 0 0 417.574 6.802 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(-c2ccccc2)cc1 ZINC000003187195 568479465 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CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000003188306 568860407 /nfs/dbraw/zinc/86/04/07/568860407.db2.gz DTBMHSZBUJGBFI-UHFFFAOYSA-N 0 0 424.595 5.092 50 0 HKAARN CC(NC(=O)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000003188961 568479661 /nfs/dbraw/zinc/47/96/61/568479661.db2.gz TVEQOMOZIHLSCK-UHFFFAOYSA-N 0 0 404.354 5.282 50 0 HKAARN CCC(NC(=O)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000003189031 568480325 /nfs/dbraw/zinc/48/03/25/568480325.db2.gz NJVMUEBSPQUSBO-UHFFFAOYSA-N 0 0 418.381 5.672 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000003189277 568860557 /nfs/dbraw/zinc/86/05/57/568860557.db2.gz PPICKZYJPXUAQY-UHFFFAOYSA-N 0 0 420.337 5.488 50 0 HKAARN CCOP(=O)(OCC)[C@H](NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000003189548 560588781 /nfs/dbraw/zinc/58/87/81/560588781.db2.gz PZQKZUUIMGRCMY-FQEVSTJZSA-N 0 0 404.447 5.698 50 0 HKAARN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000003189550 560588788 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O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccc2ccccc21 ZINC000003191662 568860783 /nfs/dbraw/zinc/86/07/83/568860783.db2.gz UAJIUSXMLWWNIR-UHFFFAOYSA-N 0 0 416.839 6.693 50 0 HKAARN O=S(=O)(c1nc(Nc2ccccc2Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000003192233 568860736 /nfs/dbraw/zinc/86/07/36/568860736.db2.gz GVNWRNACLMLJSK-UHFFFAOYSA-N 0 0 419.742 5.680 50 0 HKAARN Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)c(C)c1 ZINC000003192239 568860745 /nfs/dbraw/zinc/86/07/45/568860745.db2.gz AMFSDZDDTZGNLH-UHFFFAOYSA-N 0 0 413.351 5.643 50 0 HKAARN Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003192264 568860749 /nfs/dbraw/zinc/86/07/49/568860749.db2.gz NRUOPOPGCLPRBW-UHFFFAOYSA-N 0 0 407.391 5.891 50 0 HKAARN O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1sc2ccccc2c1Cl ZINC000003192461 568860779 /nfs/dbraw/zinc/86/07/79/568860779.db2.gz GENSSLXPHWKWEL-UHFFFAOYSA-N 0 0 414.964 6.536 50 0 HKAARN O=S(=O)(c1nc(Nc2ccc(F)cc2F)sc1Cl)c1ccc(Cl)cc1 ZINC000003192883 568860747 /nfs/dbraw/zinc/86/07/47/568860747.db2.gz 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132263281 /nfs/dbraw/zinc/26/32/81/132263281.db2.gz FJSPYBWMQKUXHB-UHFFFAOYSA-N 0 0 400.501 5.231 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003196840 568861138 /nfs/dbraw/zinc/86/11/38/568861138.db2.gz IFYIQUUGMQIQHS-UHFFFAOYSA-N 0 0 400.437 5.603 50 0 HKAARN O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N12 ZINC000003196875 557455232 /nfs/dbraw/zinc/45/52/32/557455232.db2.gz XOOSTEJKJADOIS-KFGZODLXSA-N 0 0 408.473 5.473 50 0 HKAARN O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N12 ZINC000003196879 557455213 /nfs/dbraw/zinc/45/52/13/557455213.db2.gz XOOSTEJKJADOIS-CNCHJIQNSA-N 0 0 408.473 5.473 50 0 HKAARN O=S(=O)(c1nc(Nc2ccccc2F)sc1Cl)c1ccc(Cl)cc1 ZINC000003196933 568861087 /nfs/dbraw/zinc/86/10/87/568861087.db2.gz YJGHVQDFLFWLHK-UHFFFAOYSA-N 0 0 403.287 5.165 50 0 HKAARN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003197123 568861120 /nfs/dbraw/zinc/86/11/20/568861120.db2.gz MDBYYDHCBFOTMF-GOSISDBHSA-N 0 0 410.838 5.735 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/nfs/dbraw/zinc/86/13/02/568861302.db2.gz VVXMOUPEKSTMSG-UHFFFAOYSA-N 0 0 416.552 6.138 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Br)cc3)ccc21 ZINC000003200056 568861201 /nfs/dbraw/zinc/86/12/01/568861201.db2.gz MNDJIPQTGKXBSK-UHFFFAOYSA-N 0 0 423.310 5.594 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1ccc(-c3ccccc3)cc1)oc1ccccc12 ZINC000003200069 568861260 /nfs/dbraw/zinc/86/12/60/568861260.db2.gz BXXVXFSSUFEWLL-UHFFFAOYSA-N 0 0 407.469 6.443 50 0 biogenic HKAARN Cc1c2c3n(c4c(ccc(F)c4F)n3c1Sc1ccc(Cl)cc1)CCCC2 ZINC000003200079 568861325 /nfs/dbraw/zinc/86/13/25/568861325.db2.gz SMLCWURDNQEHFH-UHFFFAOYSA-N 0 0 402.897 6.622 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000003200125 568861250 /nfs/dbraw/zinc/86/12/50/568861250.db2.gz ADJPUNRSXGBOID-UHFFFAOYSA-N 0 0 410.424 6.024 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000003200882 568845986 /nfs/dbraw/zinc/84/59/86/568845986.db2.gz NQUZLSIWTKCPKV-UHFFFAOYSA-N 0 0 404.457 6.379 50 0 HKAARN CCN1c2ccc(NC(=O)c3sc4ccccc4c3Cl)c3cccc(c23)C1=O ZINC000003200889 568846002 /nfs/dbraw/zinc/84/60/02/568846002.db2.gz SODPYSOETPVWSU-UHFFFAOYSA-N 0 0 406.894 5.940 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)s1 ZINC000003200963 560588873 /nfs/dbraw/zinc/58/88/73/560588873.db2.gz KKEWSSGFKBBYMZ-UHFFFAOYSA-N 0 0 424.934 6.008 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(C(F)(F)F)c1 ZINC000003201134 568861403 /nfs/dbraw/zinc/86/14/03/568861403.db2.gz HKEIJPAHVIUCBL-UHFFFAOYSA-N 0 0 414.408 5.940 50 0 HKAARN COc1nc(NC(=O)c2ccc(-c3ccccc3)cc2)nc(OC)c1-c1ccccc1 ZINC000003201541 568846225 /nfs/dbraw/zinc/84/62/25/568846225.db2.gz FPRNSOMFBZWXKJ-UHFFFAOYSA-N 0 0 411.461 5.080 50 0 HKAARN O=C1c2ccccc2C(=CNc2ccccc2O)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000003201642 132263352 /nfs/dbraw/zinc/26/33/52/132263352.db2.gz QDGVFMPDSIGTIN-QGOAFFKASA-N 0 0 424.378 5.051 50 0 HKAARN Cc1ccc([C@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)C(F)(F)F)cc1 ZINC000003202755 568861520 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FLWMYRNDEPAPJE-UHFFFAOYSA-N 0 0 406.916 5.951 50 0 HKAARN CCc1nnc(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)s1 ZINC000003235487 568847740 /nfs/dbraw/zinc/84/77/40/568847740.db2.gz OHHSPXGSHLSAGE-UHFFFAOYSA-N 0 0 410.502 5.721 50 0 HKAARN O=C(NCCCc1ccccc1)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000003235490 568865412 /nfs/dbraw/zinc/86/54/12/568865412.db2.gz IWZSOWFSXNBCRX-UHFFFAOYSA-N 0 0 416.524 6.418 50 0 HKAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC1CCCCCCC1 ZINC000003235546 568865397 /nfs/dbraw/zinc/86/53/97/568865397.db2.gz KEABHLDEUGBDRP-UHFFFAOYSA-N 0 0 414.354 5.594 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000003235654 568865499 /nfs/dbraw/zinc/86/54/99/568865499.db2.gz BRSHQSJNLYFDEY-UHFFFAOYSA-N 0 0 401.915 5.475 50 0 HKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000003235791 568865625 /nfs/dbraw/zinc/86/56/25/568865625.db2.gz OMZGIYVXSJXJNT-UHFFFAOYSA-N 0 0 413.804 5.369 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000003235841 568865573 /nfs/dbraw/zinc/86/55/73/568865573.db2.gz SNCFHUYULRMJOG-UHFFFAOYSA-N 0 0 415.961 6.039 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003235851 568865617 /nfs/dbraw/zinc/86/56/17/568865617.db2.gz NVLRKJKPLTVAJH-UHFFFAOYSA-N 0 0 413.945 5.459 50 0 HKAARN O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000003235885 568865680 /nfs/dbraw/zinc/86/56/80/568865680.db2.gz PFOKXJIKAPMFRD-UHFFFAOYSA-N 0 0 402.850 5.585 50 0 HKAARN FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3)cc1)c1nccn12 ZINC000003235933 568865634 /nfs/dbraw/zinc/86/56/34/568865634.db2.gz QYLHJVAMTKOPIG-UHFFFAOYSA-N 0 0 405.379 6.361 50 0 HKAARN O=C(OCc1cc(Cl)ccc1OC(F)F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003235973 568865564 /nfs/dbraw/zinc/86/55/64/568865564.db2.gz QIAGCGKERWRBJF-UHFFFAOYSA-N 0 0 415.263 6.150 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc12 ZINC000003235975 568865666 /nfs/dbraw/zinc/86/56/66/568865666.db2.gz WTJGUTPJMSBFMA-UHFFFAOYSA-N 0 0 419.403 5.806 50 0 HKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003235985 568865567 /nfs/dbraw/zinc/86/55/67/568865567.db2.gz SRBRSDBMHLUVKA-UHFFFAOYSA-N 0 0 423.387 5.612 50 0 HKAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)C1(c2ccccc2F)CCCC1 ZINC000003236014 568865602 /nfs/dbraw/zinc/86/56/02/568865602.db2.gz NGSLBTBHPLIVKB-UHFFFAOYSA-N 0 0 422.497 6.201 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000003236054 132263502 /nfs/dbraw/zinc/26/35/02/132263502.db2.gz PNRINBHGNXBPPB-UHFFFAOYSA-N 0 0 423.516 5.418 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000003236058 568865585 /nfs/dbraw/zinc/86/55/85/568865585.db2.gz SXYAYOJWQXGLBY-UHFFFAOYSA-N 0 0 408.379 5.447 50 0 HKAARN Cc1ccc(SCCC(=O)Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1 ZINC000003236115 568865614 /nfs/dbraw/zinc/86/56/14/568865614.db2.gz QWJYSCHEPZLQNS-UHFFFAOYSA-N 0 0 407.379 6.154 50 0 HKAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)ccc12 ZINC000003236119 568865570 /nfs/dbraw/zinc/86/55/70/568865570.db2.gz ZCXKMDBAKYRBTR-UHFFFAOYSA-N 0 0 412.656 5.079 50 0 HKAARN O=C(COc1ccc(Oc2ccccc2)cc1)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000003236182 568865605 /nfs/dbraw/zinc/86/56/05/568865605.db2.gz RULHUGXRKNJEGL-UHFFFAOYSA-N 0 0 424.452 5.694 50 0 HKAARN CC(C)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000003236206 560590298 /nfs/dbraw/zinc/59/02/98/560590298.db2.gz HXXCFATZSWQMHN-UHFFFAOYSA-N 0 0 400.547 6.717 50 0 HKAARN CC(C)c1ccc(C(F)(F)F)cc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003236238 568865555 /nfs/dbraw/zinc/86/55/55/568865555.db2.gz MXYGMJLZTOZDCV-UHFFFAOYSA-N 0 0 419.415 6.161 50 0 HKAARN O=C(N1CCN(c2ccccc2Cl)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003236244 132263527 /nfs/dbraw/zinc/26/35/27/132263527.db2.gz LFTSTBQUHMYTGL-UHFFFAOYSA-N 0 0 403.353 5.154 50 0 HKAARN CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000003236259 568865628 /nfs/dbraw/zinc/86/56/28/568865628.db2.gz ZJYWHOAGPJLHGT-HXUWFJFHSA-N 0 0 409.835 5.469 50 0 HKAARN CN(C(=O)c1cccc(C(F)(F)F)c1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000003236260 568847765 /nfs/dbraw/zinc/84/77/65/568847765.db2.gz ZJYWHOAGPJLHGT-FQEVSTJZSA-N 0 0 409.835 5.469 50 0 HKAARN COc1ccc(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1OC ZINC000003236358 568847773 /nfs/dbraw/zinc/84/77/73/568847773.db2.gz VVTLWIYATNPDTA-UHFFFAOYSA-N 0 0 416.502 5.289 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)n(-c2ccccc2)n1 ZINC000003236413 568865677 /nfs/dbraw/zinc/86/56/77/568865677.db2.gz CTYFXKKYHCUDSH-UHFFFAOYSA-N 0 0 410.502 5.710 50 0 HKAARN Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000003236477 560590426 /nfs/dbraw/zinc/59/04/26/560590426.db2.gz ZOMKMOCCSPRIOP-UHFFFAOYSA-N 0 0 422.937 6.310 50 0 HKAARN O=C(Nc1cccc(Br)c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000003236525 568865852 /nfs/dbraw/zinc/86/58/52/568865852.db2.gz XJUCFRZHONMFSF-UHFFFAOYSA-N 0 0 419.278 5.190 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000003236600 568865759 /nfs/dbraw/zinc/86/57/59/568865759.db2.gz DVPIVUGZQPADEG-UHFFFAOYSA-N 0 0 404.297 5.087 50 0 HKAARN CCS(=O)(=O)c1ccc2oc(SCc3csc(-c4ccccc4)n3)nc2c1 ZINC000003236618 568865775 /nfs/dbraw/zinc/86/57/75/568865775.db2.gz ICTRKRRBEWTOKX-UHFFFAOYSA-N 0 0 416.549 5.037 50 0 HKAARN CCCCNc1ncnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c21 ZINC000003236848 568847778 /nfs/dbraw/zinc/84/77/78/568847778.db2.gz LJKLFXGMOXUITC-UHFFFAOYSA-N 0 0 403.482 5.786 50 0 HKAARN Cc1cc(C)c(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000003236999 568865783 /nfs/dbraw/zinc/86/57/83/568865783.db2.gz ANHBLPPWQMMRFX-UHFFFAOYSA-N 0 0 401.506 5.316 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000003237083 568865844 /nfs/dbraw/zinc/86/58/44/568865844.db2.gz UTBRLMMZQPPPKS-UHFFFAOYSA-N 0 0 412.873 5.024 50 0 HKAARN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1c(Cl)cccc1Cl ZINC000003237088 560590435 /nfs/dbraw/zinc/59/04/35/560590435.db2.gz FSKOZXUBHOTJEO-UHFFFAOYSA-N 0 0 420.317 5.421 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000003237119 568865856 /nfs/dbraw/zinc/86/58/56/568865856.db2.gz YIQZLEJVUPTBII-LJQANCHMSA-N 0 0 401.506 5.514 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000003237120 568865838 /nfs/dbraw/zinc/86/58/38/568865838.db2.gz YIQZLEJVUPTBII-IBGZPJMESA-N 0 0 401.506 5.514 50 0 HKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000003237166 568865821 /nfs/dbraw/zinc/86/58/21/568865821.db2.gz UTHDBLLXPARHQW-UHFFFAOYSA-N 0 0 420.415 5.764 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003237197 560590461 /nfs/dbraw/zinc/59/04/61/560590461.db2.gz PZWPOXDEDOXKOS-UHFFFAOYSA-N 0 0 412.839 5.367 50 0 HKAARN COc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1Cl ZINC000003237256 568865756 /nfs/dbraw/zinc/86/57/56/568865756.db2.gz NCBRZZCXCORLRG-UHFFFAOYSA-N 0 0 424.909 5.643 50 0 HKAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1cc2ccccc2o1 ZINC000003237290 568847791 /nfs/dbraw/zinc/84/77/91/568847791.db2.gz XJQHPJPHXIOJGZ-UHFFFAOYSA-N 0 0 419.296 5.022 50 0 HKAARN O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1c(F)cccc1Cl ZINC000003237561 132263488 /nfs/dbraw/zinc/26/34/88/132263488.db2.gz LDDWYFYTLDPZLK-UHFFFAOYSA-N 0 0 413.857 5.465 50 0 HKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000003237764 560590442 /nfs/dbraw/zinc/59/04/42/560590442.db2.gz OGDHSPCBBQHFAY-UHFFFAOYSA-N 0 0 413.395 5.172 50 0 HKAARN Cc1ccc2c(C)nc(SC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 ZINC000003237906 132263496 /nfs/dbraw/zinc/26/34/96/132263496.db2.gz OQNCSJOCDFUFRP-UHFFFAOYSA-N 0 0 415.543 6.762 50 0 HKAARN O=C(Nc1sc2c(c1C(=O)N1CCCc3ccccc31)CCC2)c1ccc(F)cc1 ZINC000003237969 132263714 /nfs/dbraw/zinc/26/37/14/132263714.db2.gz NFWPXFFNHCHFLW-UHFFFAOYSA-N 0 0 420.509 5.221 50 0 HKAARN Cc1cccc(C)c1NC1=NC(=S)N(CC(=O)c2ccccc2)C12CCCCC2 ZINC000003238070 568865884 /nfs/dbraw/zinc/86/58/84/568865884.db2.gz VAJNAMVRJSFNNJ-UHFFFAOYSA-N 0 0 405.567 5.300 50 0 HKAARN O=C(CSc1ccc2ccccc2c1Br)OCC(=O)c1cccs1 ZINC000003238484 568865943 /nfs/dbraw/zinc/86/59/43/568865943.db2.gz LTGVLTNCJPBUAX-UHFFFAOYSA-N 0 0 421.337 5.182 50 0 HKAARN CSc1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000003238520 568847780 /nfs/dbraw/zinc/84/77/80/568847780.db2.gz MCWDVLPVIIHTPV-UHFFFAOYSA-N 0 0 413.583 5.799 50 0 HKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 ZINC000003238603 568847864 /nfs/dbraw/zinc/84/78/64/568847864.db2.gz FQVXDWCWWHVANN-UHFFFAOYSA-N 0 0 408.523 5.019 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000003238627 568865931 /nfs/dbraw/zinc/86/59/31/568865931.db2.gz BQDRIKFUBWAGMM-UHFFFAOYSA-N 0 0 423.597 6.202 50 0 HKAARN O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1sc2cc(F)ccc2c1Cl ZINC000003238741 568847841 /nfs/dbraw/zinc/84/78/41/568847841.db2.gz WPJZCKFHEOQNEN-UHFFFAOYSA-N 0 0 417.672 6.040 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000003238779 560590444 /nfs/dbraw/zinc/59/04/44/560590444.db2.gz JRCFVBUTLJXKQS-QGZVFWFLSA-N 0 0 413.945 5.847 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000003238780 560590410 /nfs/dbraw/zinc/59/04/10/560590410.db2.gz JRCFVBUTLJXKQS-KRWDZBQOSA-N 0 0 413.945 5.847 50 0 HKAARN CCCCc1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000003238790 568865933 /nfs/dbraw/zinc/86/59/33/568865933.db2.gz CVUXKEWVMNRZRX-UHFFFAOYSA-N 0 0 423.597 6.420 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1Cl ZINC000003238932 568847845 /nfs/dbraw/zinc/84/78/45/568847845.db2.gz DLJIVSRYLWNPSI-UHFFFAOYSA-N 0 0 407.080 5.404 50 0 HKAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1cc(Cl)ccc1Cl ZINC000003238944 568865936 /nfs/dbraw/zinc/86/59/36/568865936.db2.gz ALKCKCWDDVGRER-UHFFFAOYSA-N 0 0 410.272 5.126 50 0 HKAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003239059 560590420 /nfs/dbraw/zinc/59/04/20/560590420.db2.gz YBCBAFMKXOUKPC-UHFFFAOYSA-N 0 0 410.272 5.126 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1Cl ZINC000003239088 568865879 /nfs/dbraw/zinc/86/58/79/568865879.db2.gz YNXPRQNCJPYYON-UHFFFAOYSA-N 0 0 407.080 5.404 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c1Cl ZINC000003239089 568865890 /nfs/dbraw/zinc/86/58/90/568865890.db2.gz QDTMDPLJBHUNMU-UHFFFAOYSA-N 0 0 407.080 5.404 50 0 HKAARN CCN(c1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1)C(C)C ZINC000003239090 568847869 /nfs/dbraw/zinc/84/78/69/568847869.db2.gz BLPYZTZFTJSOBT-UHFFFAOYSA-N 0 0 409.313 5.024 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000003239327 568865946 /nfs/dbraw/zinc/86/59/46/568865946.db2.gz GQABMKVWHJYMOA-UHFFFAOYSA-N 0 0 423.394 5.532 50 0 HKAARN CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000003239369 560886760 /nfs/dbraw/zinc/88/67/60/560886760.db2.gz XXHUUDHAISIRGB-NTCAYCPXSA-N 0 0 411.452 5.022 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000003239431 560590512 /nfs/dbraw/zinc/59/05/12/560590512.db2.gz JUXBHHJGIVXGGT-UFSNDUKISA-N 0 0 407.491 5.002 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000003239433 560590517 /nfs/dbraw/zinc/59/05/17/560590517.db2.gz JUXBHHJGIVXGGT-SDNYCIMKSA-N 0 0 407.491 5.002 50 0 HKAARN Cc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)c(C)c1 ZINC000003239591 568865922 /nfs/dbraw/zinc/86/59/22/568865922.db2.gz IKWOYHKNEFVHRL-UHFFFAOYSA-N 0 0 412.584 5.432 50 0 HKAARN CCCCc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1 ZINC000003239608 568866016 /nfs/dbraw/zinc/86/60/16/568866016.db2.gz IASDGASWALKMJO-UHFFFAOYSA-N 0 0 420.965 7.271 50 0 HKAARN O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Nc2ccccc21 ZINC000003239747 568847848 /nfs/dbraw/zinc/84/78/48/568847848.db2.gz KOOJCVSVLWZYLG-DEOSSOPVSA-N 0 0 406.445 5.140 50 0 HKAARN O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Nc2ccccc21 ZINC000003239748 568865925 /nfs/dbraw/zinc/86/59/25/568865925.db2.gz KOOJCVSVLWZYLG-XMMPIXPASA-N 0 0 406.445 5.140 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000003240001 560590496 /nfs/dbraw/zinc/59/04/96/560590496.db2.gz MGFUUZLGZSMYSA-UHFFFAOYSA-N 0 0 406.536 5.035 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCCCCC1 ZINC000003240073 568866126 /nfs/dbraw/zinc/86/61/26/568866126.db2.gz ORFHLDQGDAFJIC-UHFFFAOYSA-N 0 0 418.566 5.137 50 0 HKAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(OC(F)F)cc1 ZINC000003240175 560590507 /nfs/dbraw/zinc/59/05/07/560590507.db2.gz MHJNOZSSUINUKG-UHFFFAOYSA-N 0 0 408.828 5.179 50 0 HKAARN Cc1sc2ncnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)c2c1C ZINC000003240414 132263699 /nfs/dbraw/zinc/26/36/99/132263699.db2.gz PBCCFPHMHXKQSN-UHFFFAOYSA-N 0 0 412.584 5.029 50 0 HKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1c(F)cccc1F ZINC000003240421 568866399 /nfs/dbraw/zinc/86/63/99/568866399.db2.gz SFUIFIHFPDNYDW-UHFFFAOYSA-N 0 0 413.474 5.367 50 0 HKAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2C)c1CC ZINC000003240604 568866383 /nfs/dbraw/zinc/86/63/83/568866383.db2.gz PRDRRCPSMHDUPN-UHFFFAOYSA-N 0 0 404.510 5.162 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000003240795 560590498 /nfs/dbraw/zinc/59/04/98/560590498.db2.gz FNGJGPPNHDHUKP-GLJUWKHASA-N 0 0 401.330 5.083 50 0 HKAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1Cl ZINC000003240852 568866332 /nfs/dbraw/zinc/86/63/32/568866332.db2.gz ZWXWRWIMSIVWSI-UHFFFAOYSA-N 0 0 406.894 5.014 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](OC(=O)c1ccco1)c1ccccc1 ZINC000003240937 568866395 /nfs/dbraw/zinc/86/63/95/568866395.db2.gz CVCYCUVXRAPPET-KRWDZBQOSA-N 0 0 423.774 5.489 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](OC(=O)c1ccco1)c1ccccc1 ZINC000003240938 568866406 /nfs/dbraw/zinc/86/64/06/568866406.db2.gz CVCYCUVXRAPPET-QGZVFWFLSA-N 0 0 423.774 5.489 50 0 HKAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc(F)cc1F ZINC000003241030 568866358 /nfs/dbraw/zinc/86/63/58/568866358.db2.gz TVVCAWXVPTTZKX-UHFFFAOYSA-N 0 0 424.428 5.037 50 0 HKAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000003241067 568847906 /nfs/dbraw/zinc/84/79/06/568847906.db2.gz DASGWPWDSGECBS-UHFFFAOYSA-N 0 0 416.260 5.581 50 0 HKAARN 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568869634 /nfs/dbraw/zinc/86/96/34/568869634.db2.gz PFKXKQIURVCDOW-UHFFFAOYSA-N 0 0 414.509 6.155 50 0 HKAARN O=C(Nc1ccc2c(c1)OCCO2)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000003264068 568869636 /nfs/dbraw/zinc/86/96/36/568869636.db2.gz WYUZZVQYTJQEGW-UHFFFAOYSA-N 0 0 414.486 5.501 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3ncc(Cl)cc3Cl)sc2c1 ZINC000003264111 568869510 /nfs/dbraw/zinc/86/95/10/568869510.db2.gz DJBVNCWDOGZOMX-UHFFFAOYSA-N 0 0 414.339 5.128 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003264195 560590954 /nfs/dbraw/zinc/59/09/54/560590954.db2.gz MYPGPIGQBPEYGV-CCEZHUSRSA-N 0 0 423.921 5.686 50 0 HKAARN O=C(c1c(-c2ccc(Cl)cc2)nc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000003264318 568869530 /nfs/dbraw/zinc/86/95/30/568869530.db2.gz FPEFICLAFCALEQ-UHFFFAOYSA-N 0 0 400.787 5.905 50 0 HKAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000003264394 560590967 /nfs/dbraw/zinc/59/09/67/560590967.db2.gz LQGRVQLHMJRDIQ-UHFFFAOYSA-N 0 0 400.478 5.425 50 0 HKAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1C ZINC000003264418 568869613 /nfs/dbraw/zinc/86/96/13/568869613.db2.gz CXQFJIMTRJUDJH-UHFFFAOYSA-N 0 0 409.411 5.913 50 0 HKAARN CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)c1 ZINC000003264465 568869622 /nfs/dbraw/zinc/86/96/22/568869622.db2.gz NQYWGFPEBXQTLR-UHFFFAOYSA-N 0 0 424.426 5.363 50 0 HKAARN Fc1ccccc1Nc1nnc(SCc2cc(Cl)ccc2OC(F)F)s1 ZINC000003264613 568869720 /nfs/dbraw/zinc/86/97/20/568869720.db2.gz BFBCGFXTQOTJCN-UHFFFAOYSA-N 0 0 417.865 5.968 50 0 HKAARN CSc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000003264758 568869707 /nfs/dbraw/zinc/86/97/07/568869707.db2.gz KCLYZUHFKLRGAX-JOCHJYFZSA-N 0 0 423.559 5.424 50 0 HKAARN CSc1ccccc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003264759 568849530 /nfs/dbraw/zinc/84/95/30/568849530.db2.gz KCLYZUHFKLRGAX-QFIPXVFZSA-N 0 0 423.559 5.424 50 0 HKAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003264771 568849434 /nfs/dbraw/zinc/84/94/34/568849434.db2.gz XNPPYNMMYNQATH-MRXNPFEDSA-N 0 0 414.461 5.241 50 0 HKAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003264772 568869758 /nfs/dbraw/zinc/86/97/58/568869758.db2.gz XNPPYNMMYNQATH-INIZCTEOSA-N 0 0 414.461 5.241 50 0 HKAARN O=C(OCc1cc(Cl)ccc1OC(F)F)c1sc2ccccc2c1Cl ZINC000003264824 568869781 /nfs/dbraw/zinc/86/97/81/568869781.db2.gz LWTGGYAPDJEGJS-UHFFFAOYSA-N 0 0 403.233 6.167 50 0 HKAARN COc1ccc(NC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000003264883 568849498 /nfs/dbraw/zinc/84/94/98/568849498.db2.gz FHWLDWZSAJLVCZ-UHFFFAOYSA-N 0 0 410.318 5.287 50 0 HKAARN Cc1ccc(NC(=S)NN(C)C(=S)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000003265257 560590912 /nfs/dbraw/zinc/59/09/12/560590912.db2.gz NDVPVKRBGRYNBE-UHFFFAOYSA-N 0 0 413.399 5.140 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CC[C@H](C)C2 ZINC000003265345 568869779 /nfs/dbraw/zinc/86/97/79/568869779.db2.gz ICANQNKCIOQETF-NSHDSACASA-N 0 0 411.445 5.321 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC000003265347 568869674 /nfs/dbraw/zinc/86/96/74/568869674.db2.gz ICANQNKCIOQETF-LLVKDONJSA-N 0 0 411.445 5.321 50 0 HKAARN O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccc(Oc2ccccc2)cc1 ZINC000003265535 560590909 /nfs/dbraw/zinc/59/09/09/560590909.db2.gz MZHIHLDRZXSBFH-UHFFFAOYSA-N 0 0 416.527 6.460 50 0 HKAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NC1CCCCC1)c1ccccc1 ZINC000003265557 568849463 /nfs/dbraw/zinc/84/94/63/568849463.db2.gz QZKLNGREKIIKLE-UHFFFAOYSA-N 0 0 416.930 5.572 50 0 HKAARN O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003265630 560590944 /nfs/dbraw/zinc/59/09/44/560590944.db2.gz LXZDBVGVXFOSLY-UHFFFAOYSA-N 0 0 418.827 6.286 50 0 HKAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(-c2nc3ccccc3s2)c1 ZINC000003265652 568869830 /nfs/dbraw/zinc/86/98/30/568869830.db2.gz PMPDFEZUCLYQCH-UHFFFAOYSA-N 0 0 400.912 5.418 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(F)cc1 ZINC000003265664 560590911 /nfs/dbraw/zinc/59/09/11/560590911.db2.gz YMHQVGAMBNVFFI-UHFFFAOYSA-N 0 0 403.862 5.637 50 0 HKAARN O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003265689 568869748 /nfs/dbraw/zinc/86/97/48/568869748.db2.gz OWFYJLVZKIEMKN-UHFFFAOYSA-N 0 0 421.525 5.955 50 0 HKAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003265868 568869710 /nfs/dbraw/zinc/86/97/10/568869710.db2.gz XMZVQYXOJGMAKR-UHFFFAOYSA-N 0 0 416.502 5.376 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1c(Cl)cccc1Cl ZINC000003266085 557465611 /nfs/dbraw/zinc/46/56/11/557465611.db2.gz KNZBWFWAZKBWCR-UHFFFAOYSA-N 0 0 410.351 5.218 50 0 HKAARN O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000003266326 568870005 /nfs/dbraw/zinc/87/00/05/568870005.db2.gz MTAMPIPJFKZDGD-UHFFFAOYSA-N 0 0 415.272 5.612 50 0 HKAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc(Cl)s2)s1 ZINC000003266360 568849528 /nfs/dbraw/zinc/84/95/28/568849528.db2.gz HYKIRKQHULFLRQ-UHFFFAOYSA-N 0 0 411.961 5.289 50 0 HKAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000003266374 568849496 /nfs/dbraw/zinc/84/94/96/568849496.db2.gz UFXITXOMHGJTPA-UHFFFAOYSA-N 0 0 424.551 5.363 50 0 HKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2ncnc3ccccc32)cc1 ZINC000003267029 568870026 /nfs/dbraw/zinc/87/00/26/568870026.db2.gz DZDKBYVVHHNXDL-UHFFFAOYSA-N 0 0 412.493 5.194 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1)CCC3 ZINC000003267227 568870011 /nfs/dbraw/zinc/87/00/11/568870011.db2.gz SYDGKNKLJSHPJG-UHFFFAOYSA-N 0 0 424.378 5.526 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(F)cccc1F ZINC000003267533 560591053 /nfs/dbraw/zinc/59/10/53/560591053.db2.gz JCNPACLLFYOONS-UHFFFAOYSA-N 0 0 401.434 5.431 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(SC(F)F)cc1 ZINC000003267537 568870180 /nfs/dbraw/zinc/87/01/80/568870180.db2.gz YNBHOJYMIQDQFY-UHFFFAOYSA-N 0 0 400.859 5.527 50 0 HKAARN Brc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 ZINC000003267579 568870163 /nfs/dbraw/zinc/87/01/63/568870163.db2.gz JLYFSSIXHJWQGM-UHFFFAOYSA-N 0 0 401.267 5.398 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1C ZINC000003267583 568870176 /nfs/dbraw/zinc/87/01/76/568870176.db2.gz GJVSYVSDWDKMLO-UHFFFAOYSA-N 0 0 405.548 5.706 50 0 HKAARN CC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)cc1 ZINC000003267660 557465854 /nfs/dbraw/zinc/46/58/54/557465854.db2.gz LOKLFUUEDASEFG-UHFFFAOYSA-N 0 0 422.509 7.020 50 0 HKAARN Clc1ccc(N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1Cl ZINC000003267684 132263923 /nfs/dbraw/zinc/26/39/23/132263923.db2.gz YMWDGUCZVKSQFM-UHFFFAOYSA-N 0 0 419.381 5.204 50 0 HKAARN Cc1ccc(-c2csc3nc(SC(F)F)n(-c4ccccc4)c(=O)c23)cc1 ZINC000003267809 557465897 /nfs/dbraw/zinc/46/58/97/557465897.db2.gz UUFWSYUFPYSMFB-UHFFFAOYSA-N 0 0 400.475 5.737 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1CN1c3ccccc3N=C(Nc3ccc(C)cc3)C1=N2 ZINC000003267819 568870181 /nfs/dbraw/zinc/87/01/81/568870181.db2.gz YOSGURJBVXTJEY-UHFFFAOYSA-N 0 0 418.504 5.695 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)CSCc1ccc(Cl)cc1)CCCC2 ZINC000003267862 560591062 /nfs/dbraw/zinc/59/10/62/560591062.db2.gz WOPLOSUGESECMA-UHFFFAOYSA-N 0 0 423.987 5.329 50 0 HKAARN CCN(C(=O)CC(=O)N(CC)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000003268009 557465860 /nfs/dbraw/zinc/46/58/60/557465860.db2.gz KTMOPCARGGOUHT-UHFFFAOYSA-N 0 0 410.517 5.789 50 0 HKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(C(=O)c5ccccc5)cc4)c23)cc1 ZINC000003268506 568870172 /nfs/dbraw/zinc/87/01/72/568870172.db2.gz GDRPCZSHZWNJRZ-UHFFFAOYSA-N 0 0 422.509 6.690 50 0 HKAARN CC(=O)c1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 ZINC000003268508 560591093 /nfs/dbraw/zinc/59/10/93/560591093.db2.gz QWFIPOYONITRIZ-UHFFFAOYSA-N 0 0 406.894 6.131 50 0 HKAARN Cc1cccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)c1Cl ZINC000003268510 568870144 /nfs/dbraw/zinc/87/01/44/568870144.db2.gz BTBYAYAUTNOYJP-UHFFFAOYSA-N 0 0 413.329 6.890 50 0 HKAARN Cc1ccc(-c2csc3ncnc(Nc4ccc(Oc5ccccc5)cc4)c23)cc1 ZINC000003268546 568849651 /nfs/dbraw/zinc/84/96/51/568849651.db2.gz OQYNSBBAZGEGBC-UHFFFAOYSA-N 0 0 409.514 7.203 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)OCc1c(Cl)cccc1Cl ZINC000003268924 568870130 /nfs/dbraw/zinc/87/01/30/568870130.db2.gz QSFQRUVWZJNAIO-IBGZPJMESA-N 0 0 408.325 5.190 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)OCc1c(Cl)cccc1Cl ZINC000003268926 568870152 /nfs/dbraw/zinc/87/01/52/568870152.db2.gz QSFQRUVWZJNAIO-LJQANCHMSA-N 0 0 408.325 5.190 50 0 HKAARN COc1cccc(N(C(=O)/C=C/c2ccccc2Cl)c2nc3ccccc3s2)c1 ZINC000003269109 560591042 /nfs/dbraw/zinc/59/10/42/560591042.db2.gz VSCQEEVMDXMTAB-BUHFOSPRSA-N 0 0 420.921 6.336 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003269232 568849703 /nfs/dbraw/zinc/84/97/03/568849703.db2.gz MZMLJLHJJHCDGC-UHFFFAOYSA-N 0 0 422.120 6.172 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000003269274 568870170 /nfs/dbraw/zinc/87/01/70/568870170.db2.gz AHCXREZUYYBLJL-QGZVFWFLSA-N 0 0 415.489 5.620 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000003269275 568870161 /nfs/dbraw/zinc/87/01/61/568870161.db2.gz AHCXREZUYYBLJL-KRWDZBQOSA-N 0 0 415.489 5.620 50 0 HKAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(F)c(F)cc1Cl ZINC000003269346 568870175 /nfs/dbraw/zinc/87/01/75/568870175.db2.gz BTDBNMTYSPSCNP-UHFFFAOYSA-N 0 0 406.813 5.795 50 0 HKAARN CC(C)c1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000003269358 560591081 /nfs/dbraw/zinc/59/10/81/560591081.db2.gz JJMIHUVKHRQOPK-UHFFFAOYSA-N 0 0 420.965 6.455 50 0 HKAARN Cc1cc(OCc2c(F)cccc2Cl)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000003269539 568870362 /nfs/dbraw/zinc/87/03/62/568870362.db2.gz IUCLTPKDEHLCMD-UHFFFAOYSA-N 0 0 422.883 6.372 50 0 HKAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003269557 560591095 /nfs/dbraw/zinc/59/10/95/560591095.db2.gz APSKCQXXHQQILL-UHFFFAOYSA-N 0 0 415.518 5.052 50 0 HKAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cccc(F)c2)cc1 ZINC000003269707 560591077 /nfs/dbraw/zinc/59/10/77/560591077.db2.gz AGPASELTJRKRHV-UHFFFAOYSA-N 0 0 419.374 6.288 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=S)Nc3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000003269725 568870279 /nfs/dbraw/zinc/87/02/79/568870279.db2.gz WGTSQJYYAFALIO-UHFFFAOYSA-N 0 0 416.575 5.676 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000003269809 560591070 /nfs/dbraw/zinc/59/10/70/560591070.db2.gz DCAQYNIBCDRWPS-UHFFFAOYSA-N 0 0 420.563 5.094 50 0 HKAARN CCc1nc2ccccc2c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1C ZINC000003270058 568870259 /nfs/dbraw/zinc/87/02/59/568870259.db2.gz RQVKODYASCUMLW-SANMLTNESA-N 0 0 409.485 5.887 50 0 HKAARN CCc1nc2ccccc2c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1C ZINC000003270060 568870326 /nfs/dbraw/zinc/87/03/26/568870326.db2.gz RQVKODYASCUMLW-AREMUKBSSA-N 0 0 409.485 5.887 50 0 HKAARN c1coc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccccc2)c1 ZINC000003270112 568870333 /nfs/dbraw/zinc/87/03/33/568870333.db2.gz CXJQOMGZPJXBQP-UHFFFAOYSA-N 0 0 404.520 5.488 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000003270432 560591067 /nfs/dbraw/zinc/59/10/67/560591067.db2.gz YFUWYNIKLXWPGV-UHFFFAOYSA-N 0 0 415.562 5.881 50 0 HKAARN CCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)c1cccc2ccccc21 ZINC000003270473 560591088 /nfs/dbraw/zinc/59/10/88/560591088.db2.gz NMFJIOASMWRZIV-UHFFFAOYSA-N 0 0 402.277 5.357 50 0 HKAARN Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(Br)c1 ZINC000003270493 568870456 /nfs/dbraw/zinc/87/04/56/568870456.db2.gz USPMNKYBUNWZDA-UHFFFAOYSA-N 0 0 424.294 5.006 50 0 HKAARN CC(C)N(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000003270623 568870442 /nfs/dbraw/zinc/87/04/42/568870442.db2.gz HKMHVGBXEZNRCO-UHFFFAOYSA-N 0 0 414.461 5.093 50 0 HKAARN CCOC(=O)c1sc(Nc2ccc(F)cc2)c(-c2nc3ccccc3s2)c1N ZINC000003270644 568870485 /nfs/dbraw/zinc/87/04/85/568870485.db2.gz CGULHFRZGZHYBC-UHFFFAOYSA-N 0 0 413.499 5.666 50 0 HKAARN Cc1cc(C)cc(-n2c(SC(F)F)nnc2-c2ccc(Br)cc2)c1 ZINC000003270645 568870518 /nfs/dbraw/zinc/87/05/18/568870518.db2.gz YSTBMHUBAXHCTC-UHFFFAOYSA-N 0 0 410.287 5.628 50 0 HKAARN O=C(Nc1ccccc1)C1(N(Cc2ccccc2)C(=O)c2ccccc2)CCCCC1 ZINC000003270885 568870483 /nfs/dbraw/zinc/87/04/83/568870483.db2.gz FTKWCTVKVOJXGS-UHFFFAOYSA-N 0 0 412.533 5.671 50 0 HKAARN Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000003270947 568870501 /nfs/dbraw/zinc/87/05/01/568870501.db2.gz MKZRIGWPQAMRCW-UHFFFAOYSA-N 0 0 415.584 5.349 50 0 HKAARN FC(F)(F)c1cccc(Nc2nc(CSc3nc4ccccc4s3)cs2)c1 ZINC000003270963 568870447 /nfs/dbraw/zinc/87/04/47/568870447.db2.gz ZIFZCMNIJAYHGA-UHFFFAOYSA-N 0 0 423.510 6.808 50 0 HKAARN CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccc(C)c2)cc1 ZINC000003270966 568870479 /nfs/dbraw/zinc/87/04/79/568870479.db2.gz QYPHBKNTTGGTOS-UHFFFAOYSA-N 0 0 420.538 5.539 50 0 HKAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c(C)o1 ZINC000003271003 568870477 /nfs/dbraw/zinc/87/04/77/568870477.db2.gz QDTQGLWXHGSSEX-UHFFFAOYSA-N 0 0 406.482 5.238 50 0 HKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OCc1ccc(F)cc1 ZINC000003271258 568870475 /nfs/dbraw/zinc/87/04/75/568870475.db2.gz BPGYZWGNYOYHHN-UHFFFAOYSA-N 0 0 412.873 5.920 50 0 HKAARN CC[C@@H](C)CCCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000003271371 560591087 /nfs/dbraw/zinc/59/10/87/560591087.db2.gz NYKZHBCJOCIPIH-QGZVFWFLSA-N 0 0 415.002 6.559 50 0 HKAARN CC[C@H](C)CCCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000003271374 568870517 /nfs/dbraw/zinc/87/05/17/568870517.db2.gz NYKZHBCJOCIPIH-KRWDZBQOSA-N 0 0 415.002 6.559 50 0 HKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000003271870 560591141 /nfs/dbraw/zinc/59/11/41/560591141.db2.gz HCHDNKCZAPRAQK-UHFFFAOYSA-N 0 0 419.293 5.256 50 0 HKAARN O=C(CSc1ccc2ccccc2c1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003271877 560591167 /nfs/dbraw/zinc/59/11/67/560591167.db2.gz SGZXYEJYFSVPHL-SANMLTNESA-N 0 0 412.510 6.099 50 0 HKAARN O=C(CSc1ccc2ccccc2c1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003271879 560591152 /nfs/dbraw/zinc/59/11/52/560591152.db2.gz SGZXYEJYFSVPHL-AREMUKBSSA-N 0 0 412.510 6.099 50 0 HKAARN O=C(COC(=O)c1ccc(Br)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000003271937 568850447 /nfs/dbraw/zinc/85/04/47/568850447.db2.gz JMGLXCVPDMAJMP-UHFFFAOYSA-N 0 0 422.363 5.100 50 0 HKAARN COc1ccc(-c2nc(NC(=O)CCc3nc4ccccc4s3)sc2C)cc1 ZINC000003272062 568850406 /nfs/dbraw/zinc/85/04/06/568850406.db2.gz XLCXGYOFAZHTIA-UHFFFAOYSA-N 0 0 409.536 5.308 50 0 HKAARN CC(C)c1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1 ZINC000003272076 568850364 /nfs/dbraw/zinc/85/03/64/568850364.db2.gz HJXOJKNVFJVVQF-UHFFFAOYSA-N 0 0 424.620 6.821 50 0 HKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000003272250 568870654 /nfs/dbraw/zinc/87/06/54/568870654.db2.gz FKSLEQPSFNYLPG-UHFFFAOYSA-N 0 0 417.292 5.208 50 0 HKAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000003272304 560591165 /nfs/dbraw/zinc/59/11/65/560591165.db2.gz LRYHLDVCQGBDRN-UHFFFAOYSA-N 0 0 415.651 5.791 50 0 HKAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1c2ccccc2nc2c1CCCC2 ZINC000003272361 568870674 /nfs/dbraw/zinc/87/06/74/568870674.db2.gz NHVZDDDSXGKAOO-MHZLTWQESA-N 0 0 421.496 5.895 50 0 HKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1c2ccccc2nc2c1CCCC2 ZINC000003272362 568870623 /nfs/dbraw/zinc/87/06/23/568870623.db2.gz NHVZDDDSXGKAOO-HHHXNRCGSA-N 0 0 421.496 5.895 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)c1 ZINC000003272407 560591162 /nfs/dbraw/zinc/59/11/62/560591162.db2.gz QZNJCODSCISSDN-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN O=C(COC(=O)c1cccc(Br)c1)N(C1CCCCC1)C1CCCCC1 ZINC000003272537 568870597 /nfs/dbraw/zinc/87/05/97/568870597.db2.gz WNDDQPKOZHHKSQ-UHFFFAOYSA-N 0 0 422.363 5.100 50 0 HKAARN Cc1ccc2nc(NC(=O)c3ccccc3OCCOc3ccccc3)sc2c1 ZINC000003272607 568870611 /nfs/dbraw/zinc/87/06/11/568870611.db2.gz TXKNPFORXSLEHB-UHFFFAOYSA-N 0 0 404.491 5.315 50 0 HKAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)C(C)C ZINC000003272643 568850613 /nfs/dbraw/zinc/85/06/13/568850613.db2.gz QOWNKCMXATXQKZ-UHFFFAOYSA-N 0 0 418.582 5.327 50 0 HKAARN O=C(COC(=O)c1ccccc1Br)N(C1CCCCC1)C1CCCCC1 ZINC000003272687 568850618 /nfs/dbraw/zinc/85/06/18/568850618.db2.gz HNPNXDGOSUWPHE-UHFFFAOYSA-N 0 0 422.363 5.100 50 0 HKAARN COCCCNc1sc(C(=O)c2ccc(Br)cc2)c2c1CCCC2 ZINC000003273106 568850589 /nfs/dbraw/zinc/85/05/89/568850589.db2.gz VPKYVESWIJPECB-UHFFFAOYSA-N 0 0 408.361 5.069 50 0 HKAARN CC(C)c1ccccc1NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000003273151 568870716 /nfs/dbraw/zinc/87/07/16/568870716.db2.gz JSQZAZVDWZVMFH-UHFFFAOYSA-N 0 0 413.473 5.601 50 0 HKAARN O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000003273225 568870761 /nfs/dbraw/zinc/87/07/61/568870761.db2.gz KXZRKHDNALEARJ-UHFFFAOYSA-N 0 0 410.351 5.432 50 0 HKAARN CCc1cccc(C)c1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000003273346 568850235 /nfs/dbraw/zinc/85/02/35/568850235.db2.gz VKQXSDINHWFODX-XMMPIXPASA-N 0 0 419.546 5.573 50 0 HKAARN CCc1cccc(C)c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003273347 568850246 /nfs/dbraw/zinc/85/02/46/568850246.db2.gz VKQXSDINHWFODX-DEOSSOPVSA-N 0 0 419.546 5.573 50 0 HKAARN O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003273395 568870827 /nfs/dbraw/zinc/87/08/27/568870827.db2.gz YWKNTMBVFDYYKP-UHFFFAOYSA-N 0 0 423.299 6.203 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003273420 132263907 /nfs/dbraw/zinc/26/39/07/132263907.db2.gz YUCPDMODSHHPHE-UHFFFAOYSA-N 0 0 413.546 6.206 50 0 HKAARN CCN(CC)c1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000003273441 568870826 /nfs/dbraw/zinc/87/08/26/568870826.db2.gz DHUMJPNZVNDZLF-SANMLTNESA-N 0 0 415.533 5.931 50 0 HKAARN CCN(CC)c1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000003273443 568870721 /nfs/dbraw/zinc/87/07/21/568870721.db2.gz DHUMJPNZVNDZLF-AREMUKBSSA-N 0 0 415.533 5.931 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ncc(Cl)cc1Cl ZINC000003273536 568870734 /nfs/dbraw/zinc/87/07/34/568870734.db2.gz BAFHURWDWJZOTB-UHFFFAOYSA-N 0 0 404.731 5.382 50 0 HKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)c1cccc(C(F)(F)F)c1 ZINC000003273827 568870803 /nfs/dbraw/zinc/87/08/03/568870803.db2.gz MGNPLHKCJLEZBZ-UHFFFAOYSA-N 0 0 403.385 5.212 50 0 HKAARN Cc1cccc(N2CCN(C(=S)Nc3ccc(SC(F)F)cc3)CC2)c1C ZINC000003273870 132263910 /nfs/dbraw/zinc/26/39/10/132263910.db2.gz CZNPJMDAVCBEJE-UHFFFAOYSA-N 0 0 407.555 5.137 50 0 HKAARN Cc1nc2c(cc(Oc3ncnc4sc5c(c43)CCCC5)c3ccsc32)s1 ZINC000003274045 568870755 /nfs/dbraw/zinc/87/07/55/568870755.db2.gz JZRZZFMKDUNFQA-UHFFFAOYSA-N 0 0 409.561 6.495 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000003274064 568870717 /nfs/dbraw/zinc/87/07/17/568870717.db2.gz DBKDCAFQRIHDBZ-DEDYPNTBSA-N 0 0 407.828 5.403 50 0 HKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000003274065 568850386 /nfs/dbraw/zinc/85/03/86/568850386.db2.gz DBKDCAFQRIHDBZ-MOSHPQCFSA-N 0 0 407.828 5.403 50 0 HKAARN Fc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)n1C1CCCCC1 ZINC000003274199 568870713 /nfs/dbraw/zinc/87/07/13/568870713.db2.gz YIZSBSDRTGOJKS-UHFFFAOYSA-N 0 0 419.928 6.674 50 0 HKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 ZINC000003274237 560591177 /nfs/dbraw/zinc/59/11/77/560591177.db2.gz MNRUAPDNXPPMGD-UHFFFAOYSA-N 0 0 416.616 5.504 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(Cl)c1 ZINC000003274258 568870769 /nfs/dbraw/zinc/87/07/69/568870769.db2.gz FFCDIILOAZFZFJ-UHFFFAOYSA-N 0 0 416.333 6.186 50 0 HKAARN CC(C)N(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C)C ZINC000003274261 568850619 /nfs/dbraw/zinc/85/06/19/568850619.db2.gz HHUAZSXWEDTSGU-UHFFFAOYSA-N 0 0 420.648 5.173 50 0 HKAARN Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2c2ccccc12 ZINC000003274265 568870813 /nfs/dbraw/zinc/87/08/13/568870813.db2.gz APEQOACFGXHOIO-UHFFFAOYSA-N 0 0 417.321 5.229 50 0 HKAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc(Cl)c1 ZINC000003274591 568870947 /nfs/dbraw/zinc/87/09/47/568870947.db2.gz OMOHCGMNBUQYNO-UHFFFAOYSA-N 0 0 409.898 5.215 50 0 HKAARN CCc1cccc(CC)c1NC(=S)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003274607 568870919 /nfs/dbraw/zinc/87/09/19/568870919.db2.gz CSAXJMRAKYDFAR-UHFFFAOYSA-N 0 0 401.579 6.748 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c21)CCC3 ZINC000003274754 568870928 /nfs/dbraw/zinc/87/09/28/568870928.db2.gz JJDJRZFPQMZFSR-UHFFFAOYSA-N 0 0 403.960 5.181 50 0 HKAARN Clc1ccc(CSc2nnc(COc3ccccc3Cl)o2)c(Cl)c1 ZINC000003274826 568870893 /nfs/dbraw/zinc/87/08/93/568870893.db2.gz STUKEPJRCFDNPI-UHFFFAOYSA-N 0 0 401.702 5.901 50 0 HKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1cccc(Cl)c1 ZINC000003274881 560591272 /nfs/dbraw/zinc/59/12/72/560591272.db2.gz XUNMXVAINILHJK-UHFFFAOYSA-N 0 0 423.921 5.759 50 0 HKAARN Cc1ccc(NC(=S)NNC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000003274885 568870968 /nfs/dbraw/zinc/87/09/68/568870968.db2.gz BYELOELPACNUGB-UHFFFAOYSA-N 0 0 419.790 5.143 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 ZINC000003275241 560591274 /nfs/dbraw/zinc/59/12/74/560591274.db2.gz VVZGMMAGFVEBFX-UHFFFAOYSA-N 0 0 403.563 5.327 50 0 HKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000003275295 560591257 /nfs/dbraw/zinc/59/12/57/560591257.db2.gz YQQRZQKFPNOCTL-UHFFFAOYSA-N 0 0 413.395 5.019 50 0 HKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCc1c(F)cccc1Cl ZINC000003275426 132263988 /nfs/dbraw/zinc/26/39/88/132263988.db2.gz WDVZMBAVPGESAS-UHFFFAOYSA-N 0 0 413.901 6.215 50 0 HKAARN Cc1ccc(-c2csc3ncnc(Nc4cccc(Oc5ccccc5)c4)c23)cc1 ZINC000003275610 568870940 /nfs/dbraw/zinc/87/09/40/568870940.db2.gz LVCRXGHQPAGNSF-UHFFFAOYSA-N 0 0 409.514 7.203 50 0 HKAARN CCN(C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc2ccccc21 ZINC000003275963 568871198 /nfs/dbraw/zinc/87/11/98/568871198.db2.gz BYLNVGCDTGMJAA-UHFFFAOYSA-N 0 0 419.496 5.387 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000003276105 568850769 /nfs/dbraw/zinc/85/07/69/568850769.db2.gz UOVDKEQSFLZAOD-UHFFFAOYSA-N 0 0 402.494 5.523 50 0 HKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000003276107 568871106 /nfs/dbraw/zinc/87/11/06/568871106.db2.gz OQJLNLAYBPLXFD-UHFFFAOYSA-N 0 0 414.288 5.307 50 0 HKAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1Sc1ccccc1 ZINC000003276288 568871146 /nfs/dbraw/zinc/87/11/46/568871146.db2.gz SULHPDYAEJFVDD-UHFFFAOYSA-N 0 0 414.486 5.182 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003276308 560591247 /nfs/dbraw/zinc/59/12/47/560591247.db2.gz QFBFWQJQSBZVLQ-VMPITWQZSA-N 0 0 418.198 5.207 50 0 HKAARN c1csc(Cc2nnc(SCc3cn4ccsc4n3)n2C2CCCCC2)c1 ZINC000003276703 568871117 /nfs/dbraw/zinc/87/11/17/568871117.db2.gz GPJPOFRDSOGXEU-UHFFFAOYSA-N 0 0 415.613 5.437 50 0 HKAARN CCCCCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn32)cc1 ZINC000003276739 568871151 /nfs/dbraw/zinc/87/11/51/568871151.db2.gz IYCJUIWMPHWNLE-UHFFFAOYSA-N 0 0 413.517 6.415 50 0 HKAARN CCN(CC)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000003276747 568850661 /nfs/dbraw/zinc/85/06/61/568850661.db2.gz CPELEQROUKHPMX-UHFFFAOYSA-N 0 0 420.365 6.215 50 0 HKAARN COc1ccc(-c2nnc(SCc3c(C)noc3C)n2CCc2ccccc2)cc1 ZINC000003277203 568871098 /nfs/dbraw/zinc/87/10/98/568871098.db2.gz BIDVHVYUFHNKHG-UHFFFAOYSA-N 0 0 420.538 5.094 50 0 HKAARN COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1F ZINC000003277325 560591268 /nfs/dbraw/zinc/59/12/68/560591268.db2.gz 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568872302 /nfs/dbraw/zinc/87/23/02/568872302.db2.gz CBDXCLNVQAPQMX-UHFFFAOYSA-N 0 0 416.864 5.232 50 0 HKAARN COc1ccc2oc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)c(C)c2c1 ZINC000003285218 568872377 /nfs/dbraw/zinc/87/23/77/568872377.db2.gz KSNVQTQAMJUGFM-UHFFFAOYSA-N 0 0 414.486 6.279 50 0 HKAARN CCOc1ccc2oc(C(=O)OCc3ccc(Br)cc3F)c(C)c2c1 ZINC000003285291 568872391 /nfs/dbraw/zinc/87/23/91/568872391.db2.gz ZATQALDLVLULOZ-UHFFFAOYSA-N 0 0 407.235 5.399 50 0 HKAARN COC(=O)c1cc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)oc1C ZINC000003285312 568872392 /nfs/dbraw/zinc/87/23/92/568872392.db2.gz PWFHSONFVGDOLB-UHFFFAOYSA-N 0 0 408.454 5.416 50 0 HKAARN O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cccc2ccccc21 ZINC000003285357 560591568 /nfs/dbraw/zinc/59/15/68/560591568.db2.gz WMGYPURDUWAWIO-UHFFFAOYSA-N 0 0 408.668 5.596 50 0 HKAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C(C)C)cc3C(C)C)o2)cc1 ZINC000003285452 568851873 /nfs/dbraw/zinc/85/18/73/568851873.db2.gz TZJOORDIWTWVNN-MRXNPFEDSA-N 0 0 424.566 6.356 50 0 HKAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(C(C)C)cc3C(C)C)o2)cc1 ZINC000003285454 568851876 /nfs/dbraw/zinc/85/18/76/568851876.db2.gz TZJOORDIWTWVNN-INIZCTEOSA-N 0 0 424.566 6.356 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000003285696 568851881 /nfs/dbraw/zinc/85/18/81/568851881.db2.gz OSNBQZYSQBTSEJ-UHFFFAOYSA-N 0 0 407.647 5.197 50 0 HKAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)Nc1ccccc1 ZINC000003285786 560591587 /nfs/dbraw/zinc/59/15/87/560591587.db2.gz WARGJAWJRYXIIQ-UHFFFAOYSA-N 0 0 422.893 5.412 50 0 HKAARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1c(Cl)cccc1Cl ZINC000003285811 568852150 /nfs/dbraw/zinc/85/21/50/568852150.db2.gz BUHWLYOAYUBUDP-UHFFFAOYSA-N 0 0 417.387 5.320 50 0 HKAARN O=S(=O)(c1nc(-c2cccc(Cl)c2)oc1NCc1ccccc1)c1ccccc1 ZINC000003285860 568872358 /nfs/dbraw/zinc/87/23/58/568872358.db2.gz RUUDJISYBKCKOC-UHFFFAOYSA-N 0 0 424.909 5.440 50 0 HKAARN FC(F)Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000003285880 568872379 /nfs/dbraw/zinc/87/23/79/568872379.db2.gz GJAXBUNOBVCYIU-UHFFFAOYSA-N 0 0 403.841 6.357 50 0 HKAARN CCCCCCn1c(SCc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 ZINC000003285951 568872485 /nfs/dbraw/zinc/87/24/85/568872485.db2.gz AECPXJGDGKVPGM-UHFFFAOYSA-N 0 0 408.546 6.438 50 0 HKAARN CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003286087 568872432 /nfs/dbraw/zinc/87/24/32/568872432.db2.gz RIVWSWDVBVXCMQ-UHFFFAOYSA-N 0 0 420.456 5.112 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc21 ZINC000003286141 560591673 /nfs/dbraw/zinc/59/16/73/560591673.db2.gz BNLPCKMTRMOLFL-UHFFFAOYSA-N 0 0 404.510 5.026 50 0 HKAARN CCN(C(=O)CSc1ncnc2sc(C)c(C)c21)c1cccc2ccccc21 ZINC000003286367 568872492 /nfs/dbraw/zinc/87/24/92/568872492.db2.gz HTFLMYUQRTTXAG-UHFFFAOYSA-N 0 0 407.564 5.607 50 0 HKAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000003286446 568872577 /nfs/dbraw/zinc/87/25/77/568872577.db2.gz OWYRYKFNKNYNIN-UHFFFAOYSA-N 0 0 413.498 5.707 50 0 HKAARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1OC(F)F ZINC000003286500 568872552 /nfs/dbraw/zinc/87/25/52/568872552.db2.gz FNKFNXYTNIFTFH-UHFFFAOYSA-N 0 0 405.470 5.025 50 0 HKAARN Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2=S)c(C)c1 ZINC000003286642 568872530 /nfs/dbraw/zinc/87/25/30/568872530.db2.gz DSGYVGAIEKSYRI-UHFFFAOYSA-N 0 0 407.923 5.512 50 0 HKAARN Cc1c(Cl)cnc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1Cl ZINC000003286678 568852134 /nfs/dbraw/zinc/85/21/34/568852134.db2.gz MZGOWZNPZKLNGU-UHFFFAOYSA-N 0 0 401.334 5.031 50 0 HKAARN COc1ccc(C)cc1-n1c(SCc2c(C)noc2C)nnc1-c1cccs1 ZINC000003286788 568872546 /nfs/dbraw/zinc/87/25/46/568872546.db2.gz ZBRNTIFCQNLSTR-UHFFFAOYSA-N 0 0 412.540 5.210 50 0 HKAARN Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2C(C)C)cc1 ZINC000003286792 568872488 /nfs/dbraw/zinc/87/24/88/568872488.db2.gz KSHCMQFPSUINJW-UHFFFAOYSA-N 0 0 413.590 6.967 50 0 HKAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(OC(F)F)cc1 ZINC000003286800 568872532 /nfs/dbraw/zinc/87/25/32/568872532.db2.gz OYNQALXNZQSLHB-UHFFFAOYSA-N 0 0 402.378 5.517 50 0 HKAARN CN(C(=O)CC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000003286815 568872565 /nfs/dbraw/zinc/87/25/65/568872565.db2.gz UKJZEUZHAMGSJK-UHFFFAOYSA-N 0 0 405.541 6.457 50 0 HKAARN CC(C)c1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000003286842 568872512 /nfs/dbraw/zinc/87/25/12/568872512.db2.gz AZAGSRPTHLVUMC-HSZRJFAPSA-N 0 0 415.002 6.131 50 0 HKAARN CC(C)c1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000003286844 568872574 /nfs/dbraw/zinc/87/25/74/568872574.db2.gz AZAGSRPTHLVUMC-QHCPKHFHSA-N 0 0 415.002 6.131 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc12 ZINC000003286873 568872481 /nfs/dbraw/zinc/87/24/81/568872481.db2.gz WHRKTALPHMBINN-UHFFFAOYSA-N 0 0 423.541 6.239 50 0 HKAARN O=C(Oc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003286897 568872569 /nfs/dbraw/zinc/87/25/69/568872569.db2.gz CJNBVWJWFSDGDF-UHFFFAOYSA-N 0 0 407.680 6.445 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 ZINC000003286973 568852113 /nfs/dbraw/zinc/85/21/13/568852113.db2.gz GVEUNRGMSYBUCY-UHFFFAOYSA-N 0 0 412.584 5.664 50 0 HKAARN O=C(OC[C@H]1CCCO1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000003287238 568852119 /nfs/dbraw/zinc/85/21/19/568852119.db2.gz QMUBIKZQHGGVTA-MRXNPFEDSA-N 0 0 412.283 5.000 50 0 HKAARN O=C(OC[C@@H]1CCCO1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000003287240 568852123 /nfs/dbraw/zinc/85/21/23/568852123.db2.gz QMUBIKZQHGGVTA-INIZCTEOSA-N 0 0 412.283 5.000 50 0 HKAARN Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c(Br)c1 ZINC000003287242 568872522 /nfs/dbraw/zinc/87/25/22/568872522.db2.gz YVEFRQXEMPHBCL-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003287407 568872747 /nfs/dbraw/zinc/87/27/47/568872747.db2.gz ZGXVCGMSPNYZHC-UHFFFAOYSA-N 0 0 402.825 5.048 50 0 HKAARN Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000003287422 560591667 /nfs/dbraw/zinc/59/16/67/560591667.db2.gz ZEIJAOKRMSQVNM-UHFFFAOYSA-N 0 0 409.938 5.919 50 0 HKAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccc2F)CC1 ZINC000003287560 568872750 /nfs/dbraw/zinc/87/27/50/568872750.db2.gz YXLAMEKGTAYGSD-UHFFFAOYSA-N 0 0 409.313 5.310 50 0 HKAARN COc1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1 ZINC000003287563 568852306 /nfs/dbraw/zinc/85/23/06/568852306.db2.gz GFDRCXUUXXVSGY-UHFFFAOYSA-N 0 0 412.565 5.706 50 0 HKAARN O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003287567 560591649 /nfs/dbraw/zinc/59/16/49/560591649.db2.gz NNUSGWBVXWNKGW-UHFFFAOYSA-N 0 0 412.798 6.225 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3csc4c3CC[C@H](C)C4)n2)c1 ZINC000003287646 568872646 /nfs/dbraw/zinc/87/26/46/568872646.db2.gz JGQCGKRKKAWHKA-LBPRGKRZSA-N 0 0 414.552 5.266 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3csc4c3CC[C@@H](C)C4)n2)c1 ZINC000003287648 568852318 /nfs/dbraw/zinc/85/23/18/568852318.db2.gz JGQCGKRKKAWHKA-GFCCVEGCSA-N 0 0 414.552 5.266 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2o1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000003287850 568872652 /nfs/dbraw/zinc/87/26/52/568872652.db2.gz ZBUVICPLZXSZOH-UHFFFAOYSA-N 0 0 406.250 5.160 50 0 HKAARN CC(=O)c1cc(C(=O)c2ccc(Br)cc2)sc1Nc1ccccc1 ZINC000003287882 568872615 /nfs/dbraw/zinc/87/26/15/568872615.db2.gz XVGWODIZKDHIIS-UHFFFAOYSA-N 0 0 400.297 5.688 50 0 HKAARN CCc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000003287992 568872686 /nfs/dbraw/zinc/87/26/86/568872686.db2.gz NIPSWCHYFNUMDZ-JOCHJYFZSA-N 0 0 400.975 5.570 50 0 HKAARN CCc1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000003287994 568872656 /nfs/dbraw/zinc/87/26/56/568872656.db2.gz NIPSWCHYFNUMDZ-QFIPXVFZSA-N 0 0 400.975 5.570 50 0 HKAARN FC(F)Sc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000003287998 568872725 /nfs/dbraw/zinc/87/27/25/568872725.db2.gz VIOVXZRPRYZTQQ-UHFFFAOYSA-N 0 0 414.546 6.401 50 0 HKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2ccc(C)cc2C)cc1 ZINC000003288000 568872662 /nfs/dbraw/zinc/87/26/62/568872662.db2.gz QXFLBMQWGYXQMB-UHFFFAOYSA-N 0 0 418.562 5.273 50 0 HKAARN O=C(CSc1nnc(SCc2cccc3ccccc32)s1)c1ccccc1 ZINC000003288023 568872739 /nfs/dbraw/zinc/87/27/39/568872739.db2.gz FMKRJXIXHURWGC-UHFFFAOYSA-N 0 0 408.573 5.959 50 0 HKAARN CCOc1ccc(CCNC(=O)c2ccccc2OCc2ccccc2)cc1OCC ZINC000003288026 560591647 /nfs/dbraw/zinc/59/16/47/560591647.db2.gz QGXZBBNSUMYTCP-UHFFFAOYSA-N 0 0 419.521 5.036 50 0 HKAARN CC(C)(C)C1CCC(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)CC1 ZINC000003288097 568852343 /nfs/dbraw/zinc/85/23/43/568852343.db2.gz NAHGYWQBEMJBPP-UHFFFAOYSA-N 0 0 411.615 5.492 50 0 HKAARN O=c1c2c3c(sc2nc(SCc2ccccc2F)n1C1CCCC1)CCCC3 ZINC000003288190 568872701 /nfs/dbraw/zinc/87/27/01/568872701.db2.gz AKCBQMPBPQVIIU-UHFFFAOYSA-N 0 0 414.571 5.883 50 0 HKAARN COc1cc(C(=O)OCc2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C ZINC000003288465 560591668 /nfs/dbraw/zinc/59/16/68/560591668.db2.gz QHFRMGHTOYIRMF-UHFFFAOYSA-N 0 0 423.509 5.534 50 0 HKAARN COc1ccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000003288745 568872840 /nfs/dbraw/zinc/87/28/40/568872840.db2.gz SUJINWIORYXVGP-UHFFFAOYSA-N 0 0 402.425 5.044 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(C(F)(F)F)c1 ZINC000003288850 568852588 /nfs/dbraw/zinc/85/25/88/568852588.db2.gz BLUHXCDPUNMFOD-UHFFFAOYSA-N 0 0 413.421 5.241 50 0 HKAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000003288882 568872845 /nfs/dbraw/zinc/87/28/45/568872845.db2.gz UCMFAQRWGCNUGY-UHFFFAOYSA-N 0 0 416.521 5.034 50 0 HKAARN Fc1ccc(CCNc2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000003289033 568872884 /nfs/dbraw/zinc/87/28/84/568872884.db2.gz GTQOZRNWKLCLJG-UHFFFAOYSA-N 0 0 424.589 5.350 50 0 HKAARN COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000003289056 568872823 /nfs/dbraw/zinc/87/28/23/568872823.db2.gz URIIPJGATSUFLH-INIZCTEOSA-N 0 0 414.958 6.075 50 0 HKAARN COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000003289057 568872913 /nfs/dbraw/zinc/87/29/13/568872913.db2.gz URIIPJGATSUFLH-MRXNPFEDSA-N 0 0 414.958 6.075 50 0 HKAARN C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003289282 560591682 /nfs/dbraw/zinc/59/16/82/560591682.db2.gz KODNXKQJQVUNRJ-ZDUSSCGKSA-N 0 0 424.299 5.515 50 0 HKAARN C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003289285 560591656 /nfs/dbraw/zinc/59/16/56/560591656.db2.gz KODNXKQJQVUNRJ-CYBMUJFWSA-N 0 0 424.299 5.515 50 0 HKAARN O=C(Nc1ccccc1-c1ccccc1)c1ccccc1OCc1ccccc1Cl ZINC000003289464 568852553 /nfs/dbraw/zinc/85/25/53/568852553.db2.gz DASBMEPUEYDQNU-UHFFFAOYSA-N 0 0 413.904 6.838 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ncnc2scc(-c3ccccc3)c21 ZINC000003289529 568872878 /nfs/dbraw/zinc/87/28/78/568872878.db2.gz BRQTTYBKNFGHGS-UHFFFAOYSA-N 0 0 417.534 5.808 50 0 HKAARN O=C(Oc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003289532 568852488 /nfs/dbraw/zinc/85/24/88/568852488.db2.gz QKYWRFRMBOOXGD-UHFFFAOYSA-N 0 0 419.278 5.521 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccnc1)N1c3ccccc3C=CC1=N2 ZINC000003290221 132264262 /nfs/dbraw/zinc/26/42/62/132264262.db2.gz MTKVHKXXVGVPBE-DEOSSOPVSA-N 0 0 423.907 5.896 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccnc1)N1c3ccccc3C=CC1=N2 ZINC000003290225 132264293 /nfs/dbraw/zinc/26/42/93/132264293.db2.gz MTKVHKXXVGVPBE-XMMPIXPASA-N 0 0 423.907 5.896 50 0 HKAARN Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000003290243 568873071 /nfs/dbraw/zinc/87/30/71/568873071.db2.gz YJHNPZQDOSBRQK-UHFFFAOYSA-N 0 0 418.880 5.632 50 0 HKAARN C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003290382 568873592 /nfs/dbraw/zinc/87/35/92/568873592.db2.gz OQPQGIWVJZUOGT-JOYOIKCWSA-N 0 0 401.384 5.391 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003290383 568873533 /nfs/dbraw/zinc/87/35/33/568873533.db2.gz OQPQGIWVJZUOGT-BXKDBHETSA-N 0 0 401.384 5.391 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003290385 568873529 /nfs/dbraw/zinc/87/35/29/568873529.db2.gz OQPQGIWVJZUOGT-CABZTGNLSA-N 0 0 401.384 5.391 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003290386 568873563 /nfs/dbraw/zinc/87/35/63/568873563.db2.gz OQPQGIWVJZUOGT-SKDRFNHKSA-N 0 0 401.384 5.391 50 0 HKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003290546 568873550 /nfs/dbraw/zinc/87/35/50/568873550.db2.gz FVHMFLPNHMJOMS-HXUWFJFHSA-N 0 0 414.288 5.839 50 0 aggregator HKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl ZINC000003290548 568873615 /nfs/dbraw/zinc/87/36/15/568873615.db2.gz FVHMFLPNHMJOMS-FQEVSTJZSA-N 0 0 414.288 5.839 50 0 aggregator HKAARN COc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000003290569 568873511 /nfs/dbraw/zinc/87/35/11/568873511.db2.gz REJYLQKOGWJZLZ-UHFFFAOYSA-N 0 0 413.926 5.902 50 0 HKAARN Cc1ccc(C(=O)[C@@H](Sc2nnnn2-c2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000003290670 568852552 /nfs/dbraw/zinc/85/25/52/568852552.db2.gz YZLJPXSXFWHFHI-QHCPKHFHSA-N 0 0 414.534 5.304 50 0 HKAARN Cc1ccc(C(=O)[C@H](Sc2nnnn2-c2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000003290672 568852557 /nfs/dbraw/zinc/85/25/57/568852557.db2.gz YZLJPXSXFWHFHI-HSZRJFAPSA-N 0 0 414.534 5.304 50 0 HKAARN Cc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1-c1ccccc1 ZINC000003290757 568852582 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CC(=O)c1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003291042 568873729 /nfs/dbraw/zinc/87/37/29/568873729.db2.gz KAHWAGZWAPZHFP-UHFFFAOYSA-N 0 0 418.543 5.922 50 0 HKAARN O=C(COC(=O)c1cccc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000003291057 560590663 /nfs/dbraw/zinc/59/06/63/560590663.db2.gz PKOXBYPIGHEMQX-UHFFFAOYSA-N 0 0 411.457 5.214 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000003291158 568873693 /nfs/dbraw/zinc/87/36/93/568873693.db2.gz YGKYOQWFCLGCSY-UHFFFAOYSA-N 0 0 424.566 5.658 50 0 HKAARN COc1cccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000003291438 568873802 /nfs/dbraw/zinc/87/38/02/568873802.db2.gz ZNMLWMOCTCQRAJ-UHFFFAOYSA-N 0 0 400.569 5.083 50 0 HKAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(C)n1Cc1cccs1 ZINC000003291474 568873765 /nfs/dbraw/zinc/87/37/65/568873765.db2.gz BDXAZFBLTHJICP-UHFFFAOYSA-N 0 0 422.333 5.561 50 0 HKAARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C/c1ccccc1OC(F)F ZINC000003291647 560590642 /nfs/dbraw/zinc/59/06/42/560590642.db2.gz 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C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Br)cc3)c2C1 ZINC000003295110 568874640 /nfs/dbraw/zinc/87/46/40/568874640.db2.gz XTMHWKITINIBOW-CQSZACIVSA-N 0 0 410.311 5.479 50 0 HKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccc(C)cc2)cc1 ZINC000003295129 560592589 /nfs/dbraw/zinc/59/25/89/560592589.db2.gz VMLKUPFEHJRLOV-FQEVSTJZSA-N 0 0 413.267 5.440 50 0 HKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccc(C)cc2)cc1 ZINC000003295131 568874764 /nfs/dbraw/zinc/87/47/64/568874764.db2.gz VMLKUPFEHJRLOV-HXUWFJFHSA-N 0 0 413.267 5.440 50 0 HKAARN Brc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000003295136 560592586 /nfs/dbraw/zinc/59/25/86/560592586.db2.gz ICDKRRVBMMGHNC-UHFFFAOYSA-N 0 0 422.351 5.989 50 0 HKAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1Sc1ccccc1 ZINC000003295247 568874744 /nfs/dbraw/zinc/87/47/44/568874744.db2.gz QSNYUYQSOZXDTI-UHFFFAOYSA-N 0 0 409.492 5.212 50 0 HKAARN Cc1cc(Cl)ccc1OCCCC(=O)OCc1csc(-c2ccccc2)n1 ZINC000003295331 560592617 /nfs/dbraw/zinc/59/26/17/560592617.db2.gz VYCCYDNOSBJIGE-UHFFFAOYSA-N 0 0 401.915 5.674 50 0 HKAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2ncnc3ccccc32)c2ccccc2)c1 ZINC000003295453 568874844 /nfs/dbraw/zinc/87/48/44/568874844.db2.gz ABVSNZGOMLDHEJ-JOCHJYFZSA-N 0 0 413.502 5.305 50 0 HKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2ncnc3ccccc32)c2ccccc2)c1 ZINC000003295455 568874920 /nfs/dbraw/zinc/87/49/20/568874920.db2.gz ABVSNZGOMLDHEJ-QFIPXVFZSA-N 0 0 413.502 5.305 50 0 HKAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c(O)c1 ZINC000003295489 568874947 /nfs/dbraw/zinc/87/49/47/568874947.db2.gz SZXHTZOJQKCVME-UHFFFAOYSA-N 0 0 418.493 5.043 50 0 HKAARN Cc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc32)c2ccccc2)cc1Cl ZINC000003295670 560592621 /nfs/dbraw/zinc/59/26/21/560592621.db2.gz XXVVSZUSSLXHFW-OAQYLSRUSA-N 0 0 419.937 6.064 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](Sc2ncnc3ccccc32)c2ccccc2)cc1Cl ZINC000003295672 560592619 /nfs/dbraw/zinc/59/26/19/560592619.db2.gz XXVVSZUSSLXHFW-NRFANRHFSA-N 0 0 419.937 6.064 50 0 HKAARN Clc1ccccc1CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000003295723 560887017 /nfs/dbraw/zinc/88/70/17/560887017.db2.gz URNRXRIIUAKOCH-UHFFFAOYSA-N 0 0 411.914 5.444 50 0 HKAARN CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003295783 568874992 /nfs/dbraw/zinc/87/49/92/568874992.db2.gz UJOQAKKGMZDRNI-UHFFFAOYSA-N 0 0 419.575 5.592 50 0 HKAARN Brc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 ZINC000003295794 568874902 /nfs/dbraw/zinc/87/49/02/568874902.db2.gz QTODXHJEHFOEJL-UHFFFAOYSA-N 0 0 412.312 5.582 50 0 HKAARN COc1ccc(NC(=S)Nc2ccc(Br)cc2Br)cc1 ZINC000003295847 568874885 /nfs/dbraw/zinc/87/48/85/568874885.db2.gz RCYICDALWVZNHG-UHFFFAOYSA-N 0 0 416.138 5.029 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000003295909 560592728 /nfs/dbraw/zinc/59/27/28/560592728.db2.gz SETJOTRUVLHEFY-UHFFFAOYSA-N 0 0 421.056 7.074 50 0 HKAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000003295973 560592722 /nfs/dbraw/zinc/59/27/22/560592722.db2.gz MVZDDFOBYWKEBK-UHFFFAOYSA-N 0 0 417.505 5.463 50 0 HKAARN Cc1ccc(CSc2nnc(-c3cc(-c4cccs4)nc4ccccc43)o2)cc1 ZINC000003296135 568874983 /nfs/dbraw/zinc/87/49/83/568874983.db2.gz QJLDGWVPAFNPCR-UHFFFAOYSA-N 0 0 415.543 6.614 50 0 HKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000003296169 568875212 /nfs/dbraw/zinc/87/52/12/568875212.db2.gz NFSSHOHMOWQHSU-FQEVSTJZSA-N 0 0 419.333 5.309 50 0 HKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000003296171 568875236 /nfs/dbraw/zinc/87/52/36/568875236.db2.gz NFSSHOHMOWQHSU-HXUWFJFHSA-N 0 0 419.333 5.309 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003296396 560592713 /nfs/dbraw/zinc/59/27/13/560592713.db2.gz SARHDPBKBASXBI-MRXNPFEDSA-N 0 0 404.510 5.356 50 0 aggregator HKAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003296398 560592715 /nfs/dbraw/zinc/59/27/15/560592715.db2.gz SARHDPBKBASXBI-INIZCTEOSA-N 0 0 404.510 5.356 50 0 aggregator HKAARN CCN1C(=S)N(CC)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1C ZINC000003296569 568875271 /nfs/dbraw/zinc/87/52/71/568875271.db2.gz MMLPTAFWZLUTCL-FQEVSTJZSA-N 0 0 413.974 5.236 50 0 HKAARN CCN1C(=S)N(CC)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1C ZINC000003296570 568875412 /nfs/dbraw/zinc/87/54/12/568875412.db2.gz MMLPTAFWZLUTCL-HXUWFJFHSA-N 0 0 413.974 5.236 50 0 HKAARN Cc1ccc(NC(=S)Nc2cccc(I)c2)cc1Cl ZINC000003296607 568875345 /nfs/dbraw/zinc/87/53/45/568875345.db2.gz ZPKMARUPHNWACT-UHFFFAOYSA-N 0 0 402.688 5.062 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1C ZINC000003296827 560592716 /nfs/dbraw/zinc/59/27/16/560592716.db2.gz ANKPQCKZBVODSW-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 ZINC000003296832 568875454 /nfs/dbraw/zinc/87/54/54/568875454.db2.gz PUXZASAMCJTKFS-UHFFFAOYSA-N 0 0 409.489 5.611 50 0 HKAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1Br ZINC000003297065 568875436 /nfs/dbraw/zinc/87/54/36/568875436.db2.gz DKYHJIGQURFTTJ-UHFFFAOYSA-N 0 0 411.251 5.281 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000003297138 560592724 /nfs/dbraw/zinc/59/27/24/560592724.db2.gz ANSAEAPLHNUAFR-UHFFFAOYSA-N 0 0 423.335 5.907 50 0 HKAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000003297236 568875316 /nfs/dbraw/zinc/87/53/16/568875316.db2.gz YYBRJGZFHPMUPH-UHFFFAOYSA-N 0 0 424.827 6.127 50 0 HKAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003297357 568875582 /nfs/dbraw/zinc/87/55/82/568875582.db2.gz BZSPGAGYJALCFL-UHFFFAOYSA-N 0 0 415.367 5.293 50 0 HKAARN COc1ccc(Nc2nc(CN3CCCCC3)nc3sc(C)c(C)c32)cc1OC ZINC000003297454 568875600 /nfs/dbraw/zinc/87/56/00/568875600.db2.gz WOPGXNWOJDUNES-UHFFFAOYSA-N 0 0 412.559 5.055 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(c3ccccc3)c3ccccc3)cc12 ZINC000003297482 568875517 /nfs/dbraw/zinc/87/55/17/568875517.db2.gz QRVINCQHQMGDOZ-UHFFFAOYSA-N 0 0 423.541 5.915 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003297484 568852681 /nfs/dbraw/zinc/85/26/81/568852681.db2.gz LCLKZFFKDBCNSY-DEOSSOPVSA-N 0 0 401.487 5.655 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003297486 568852670 /nfs/dbraw/zinc/85/26/70/568852670.db2.gz LCLKZFFKDBCNSY-XMMPIXPASA-N 0 0 401.487 5.655 50 0 HKAARN COc1cccc(NC(=O)[C@H](Sc2ncnc3ccccc32)c2ccccc2)c1 ZINC000003297511 568875504 /nfs/dbraw/zinc/87/55/04/568875504.db2.gz HSXOTNPHIGQLOJ-OAQYLSRUSA-N 0 0 401.491 5.111 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Sc2ncnc3ccccc32)c2ccccc2)c1 ZINC000003297513 568875555 /nfs/dbraw/zinc/87/55/55/568875555.db2.gz HSXOTNPHIGQLOJ-NRFANRHFSA-N 0 0 401.491 5.111 50 0 HKAARN O=C(Nc1ccc(F)c(F)c1F)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003297638 568875506 /nfs/dbraw/zinc/87/55/06/568875506.db2.gz ZDOOQXYMDHXHTA-UHFFFAOYSA-N 0 0 419.468 6.668 50 0 HKAARN O=C(Nc1nnc(C2CC2)s1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000003297671 568875588 /nfs/dbraw/zinc/87/55/88/568875588.db2.gz LEOVYEQTIGZXPB-UHFFFAOYSA-N 0 0 421.547 5.847 50 0 HKAARN CCOc1ccc2nc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)sc2c1 ZINC000003297678 568852706 /nfs/dbraw/zinc/85/27/06/568852706.db2.gz FJESJGRLLLMXCH-UHFFFAOYSA-N 0 0 423.563 5.617 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)c(C)c1 ZINC000003297767 568875613 /nfs/dbraw/zinc/87/56/13/568875613.db2.gz SGACPRQLIXPATD-UHFFFAOYSA-N 0 0 400.909 6.102 50 0 HKAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000003297895 568875591 /nfs/dbraw/zinc/87/55/91/568875591.db2.gz ZQCIPIVLSVTZBJ-UHFFFAOYSA-N 0 0 423.468 5.175 50 0 HKAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000003297987 568875497 /nfs/dbraw/zinc/87/54/97/568875497.db2.gz AOQQLZSZVYMHKT-MHZLTWQESA-N 0 0 422.480 6.047 50 0 HKAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000003297989 568875562 /nfs/dbraw/zinc/87/55/62/568875562.db2.gz AOQQLZSZVYMHKT-HHHXNRCGSA-N 0 0 422.480 6.047 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000003298086 560592723 /nfs/dbraw/zinc/59/27/23/560592723.db2.gz OTYFUANLMLHKSB-UHFFFAOYSA-N 0 0 416.333 6.014 50 0 HKAARN O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1c[nH]c2ccccc12 ZINC000003298106 568875560 /nfs/dbraw/zinc/87/55/60/568875560.db2.gz PQSJJVMTBBOYCI-WANOEJIPSA-N 0 0 413.517 5.432 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1Oc1ccccc1 ZINC000003298194 569320643 /nfs/dbraw/zinc/32/06/43/569320643.db2.gz RGWKLMNFPBQPQB-UHFFFAOYSA-N 0 0 412.923 6.570 50 0 HKAARN Clc1ccc(-c2csc3ncnc(Oc4ccc(Cl)c5ccccc45)c23)cc1 ZINC000003298764 568875787 /nfs/dbraw/zinc/87/57/87/568875787.db2.gz JOXWNDBVFDMHCT-UHFFFAOYSA-N 0 0 423.324 7.611 50 0 HKAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1 ZINC000003298879 568875802 /nfs/dbraw/zinc/87/58/02/568875802.db2.gz ZCGXTTDTPYYDBT-UHFFFAOYSA-N 0 0 411.383 5.305 50 0 HKAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000003298970 560592712 /nfs/dbraw/zinc/59/27/12/560592712.db2.gz ZRUBLBTZYXZFJI-JXMROGBWSA-N 0 0 406.841 5.717 50 0 HKAARN CN(c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21)C1CCCCC1 ZINC000003299033 568875734 /nfs/dbraw/zinc/87/57/34/568875734.db2.gz GZRDFXCUOWFRGG-UHFFFAOYSA-N 0 0 420.626 6.113 50 0 HKAARN O=C(OCCOc1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 ZINC000003299051 568875739 /nfs/dbraw/zinc/87/57/39/568875739.db2.gz NIIVHMXEOXMXCJ-UHFFFAOYSA-N 0 0 413.267 5.058 50 0 HKAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N(c1ccccn1)C1CCCCC1 ZINC000003299069 568875804 /nfs/dbraw/zinc/87/58/04/568875804.db2.gz PDWYXBQUNQIELG-UHFFFAOYSA-N 0 0 405.350 6.583 50 0 HKAARN Cc1ccc2c(CSc3nnc(COc4ccccc4Cl)o3)cc(=O)oc2c1 ZINC000003299181 568875711 /nfs/dbraw/zinc/87/57/11/568875711.db2.gz WLDQXHFDVRIAJQ-UHFFFAOYSA-N 0 0 414.870 5.009 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)C1(c2ccc(F)cc2)CCCC1 ZINC000003299278 568875799 /nfs/dbraw/zinc/87/57/99/568875799.db2.gz CCRAGRVOYZHXKE-UHFFFAOYSA-N 0 0 416.521 6.553 50 0 HKAARN Fc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000003299322 132264306 /nfs/dbraw/zinc/26/43/06/132264306.db2.gz LPBDCSACDWVBGW-UHFFFAOYSA-N 0 0 424.932 5.477 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)c1 ZINC000003299335 568875749 /nfs/dbraw/zinc/87/57/49/568875749.db2.gz LZGDXJMROCBNHU-OAQYLSRUSA-N 0 0 404.560 6.385 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)c1 ZINC000003299336 560592710 /nfs/dbraw/zinc/59/27/10/560592710.db2.gz LZGDXJMROCBNHU-NRFANRHFSA-N 0 0 404.560 6.385 50 0 HKAARN Cc1ccc(-c2csc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)cc1 ZINC000003299450 132264317 /nfs/dbraw/zinc/26/43/17/132264317.db2.gz GUJCEBSJACGVOW-UHFFFAOYSA-N 0 0 420.969 5.647 50 0 HKAARN Cc1c(Cl)cn2c(=O)cc(CNc3cc(Cl)cc(Cl)c3)nc2c1Cl ZINC000003299490 568875741 /nfs/dbraw/zinc/87/57/41/568875741.db2.gz JDIPYBMQKCIFAN-UHFFFAOYSA-N 0 0 403.096 5.229 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000003299682 568875909 /nfs/dbraw/zinc/87/59/09/568875909.db2.gz GXNNLJMNDHTNHQ-UHFFFAOYSA-N 0 0 405.338 5.667 50 0 HKAARN O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000003299691 568875961 /nfs/dbraw/zinc/87/59/61/568875961.db2.gz REYCHKOWJIPAMV-UHFFFAOYSA-N 0 0 415.543 5.347 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003299892 132264291 /nfs/dbraw/zinc/26/42/91/132264291.db2.gz VZMVJMAUZJUZSM-UHFFFAOYSA-N 0 0 424.953 6.289 50 0 HKAARN COc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000003299972 568875962 /nfs/dbraw/zinc/87/59/62/568875962.db2.gz BTMWJRDTXCMEPM-UHFFFAOYSA-N 0 0 411.914 5.641 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Nc2c(C)cccc2C)s1 ZINC000003299982 568875907 /nfs/dbraw/zinc/87/59/07/568875907.db2.gz WZZWOWJUROYFOB-UHFFFAOYSA-N 0 0 408.552 5.663 50 0 HKAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1 ZINC000003300118 557469799 /nfs/dbraw/zinc/46/97/99/557469799.db2.gz ZSGQYDXYQBYHGK-UHFFFAOYSA-N 0 0 404.466 5.420 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000003300121 560592720 /nfs/dbraw/zinc/59/27/20/560592720.db2.gz KOKYGMDMQOMAFP-JHUUHBRDSA-N 0 0 419.908 5.893 50 0 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C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc4ccccc43)c2C1 ZINC000003312635 568878685 /nfs/dbraw/zinc/87/86/85/568878685.db2.gz IBPNUXZHULZBIG-QGZVFWFLSA-N 0 0 424.500 5.308 50 0 HKAARN COc1ccccc1Nc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000003312990 560592072 /nfs/dbraw/zinc/59/20/72/560592072.db2.gz LAZYFQNNPAIWPC-OQLLNIDSSA-N 0 0 404.466 5.108 50 0 HKAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003312995 568878672 /nfs/dbraw/zinc/87/86/72/568878672.db2.gz MHXKFYWRCJLBCX-UHFFFAOYSA-N 0 0 419.691 6.235 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000003313114 568878735 /nfs/dbraw/zinc/87/87/35/568878735.db2.gz CWSNDVLGEBDIER-LBPRGKRZSA-N 0 0 404.948 5.363 50 0 HKAARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cc(Cl)ccc1Cl ZINC000003313302 568853682 /nfs/dbraw/zinc/85/36/82/568853682.db2.gz YJAAQZBLXVZKRO-UHFFFAOYSA-N 0 0 417.387 5.320 50 0 HKAARN Cc1cccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003313388 568878871 /nfs/dbraw/zinc/87/88/71/568878871.db2.gz 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568881942 /nfs/dbraw/zinc/88/19/42/568881942.db2.gz RMBINBKRVFPARP-UHFFFAOYSA-N 0 0 403.463 5.153 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCc3ccc(F)cc3)cc12 ZINC000003330619 568881945 /nfs/dbraw/zinc/88/19/45/568881945.db2.gz LJMHLQCNNCEDRV-UHFFFAOYSA-N 0 0 414.889 5.604 50 0 HKAARN CC(C)c1ccc(Nc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3s2)cc1 ZINC000003330635 568881871 /nfs/dbraw/zinc/88/18/71/568881871.db2.gz VKJWQPJFJHAJCI-UHFFFAOYSA-N 0 0 415.584 5.338 50 0 HKAARN c1ccc2c(c1)cccc2Cc1nnc(SC[C@H]2CCCCO2)n1C1CCCCC1 ZINC000003330760 568881807 /nfs/dbraw/zinc/88/18/07/568881807.db2.gz IOSDDWSKTIPTGP-JOCHJYFZSA-N 0 0 421.610 6.189 50 0 HKAARN c1ccc2c(c1)cccc2Cc1nnc(SC[C@@H]2CCCCO2)n1C1CCCCC1 ZINC000003330762 568854929 /nfs/dbraw/zinc/85/49/29/568854929.db2.gz IOSDDWSKTIPTGP-QFIPXVFZSA-N 0 0 421.610 6.189 50 0 HKAARN O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccccc1Cl ZINC000003330825 560593424 /nfs/dbraw/zinc/59/34/24/560593424.db2.gz RSJHGWUHMAXCLA-UHFFFAOYSA-N 0 0 420.814 6.295 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000003330876 568882142 /nfs/dbraw/zinc/88/21/42/568882142.db2.gz QQBFQKGBACXVCB-UHFFFAOYSA-N 0 0 409.913 6.582 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)c1cccc(CSc2ccc(Cl)cc2)c1 ZINC000003330900 568882047 /nfs/dbraw/zinc/88/20/47/568882047.db2.gz WCJUBLZKMIMFEC-UHFFFAOYSA-N 0 0 406.309 6.677 50 0 HKAARN Cc1cc2occ(CC(=O)NCCc3ccc(Cl)cc3Cl)c2cc1C(C)C ZINC000003330929 568855054 /nfs/dbraw/zinc/85/50/54/568855054.db2.gz IKEGAGGXMZXCAQ-UHFFFAOYSA-N 0 0 404.337 6.073 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3c(C)onc3-c3ccccc3)sc2C)cc1 ZINC000003331248 568882170 /nfs/dbraw/zinc/88/21/70/568882170.db2.gz FWSDRCRZSOCONI-UHFFFAOYSA-N 0 0 405.479 5.343 50 0 HKAARN O=C(c1ccc(Nc2ncnc3ccccc32)cc1)N1CC=C(c2ccccc2)CC1 ZINC000003331549 568882153 /nfs/dbraw/zinc/88/21/53/568882153.db2.gz ZRBGKKLTKQBQCW-UHFFFAOYSA-N 0 0 406.489 5.303 50 0 HKAARN O=C(CCCOC(=O)c1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000003331692 568855147 /nfs/dbraw/zinc/85/51/47/568855147.db2.gz 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C[C@@H]1CCc2c(sc3ncnc(Sc4nnc5sc6ccccc6n45)c23)C1 ZINC000003343117 568884087 /nfs/dbraw/zinc/88/40/87/568884087.db2.gz OTFGOPKPHPQLAE-SNVBAGLBSA-N 0 0 409.565 5.225 50 0 HKAARN CCc1nc2ccccc2c(C(=O)OCCOc2ccc(Br)cc2)c1C ZINC000003343241 568884170 /nfs/dbraw/zinc/88/41/70/568884170.db2.gz XWMQQRHOGUBUMO-UHFFFAOYSA-N 0 0 414.299 5.104 50 0 HKAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)c1cccc(Br)c1 ZINC000003343342 560593777 /nfs/dbraw/zinc/59/37/77/560593777.db2.gz WKNKATZTCZEBDT-UHFFFAOYSA-N 0 0 411.251 5.281 50 0 HKAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000003343557 560593781 /nfs/dbraw/zinc/59/37/81/560593781.db2.gz HFXLAQYKLWQYJH-UHFFFAOYSA-N 0 0 416.502 5.407 50 0 HKAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(N2CCOCC2)cc1 ZINC000003343675 132265023 /nfs/dbraw/zinc/26/50/23/132265023.db2.gz HQJOUULMVUXVNK-UHFFFAOYSA-N 0 0 412.942 5.061 50 0 HKAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1c(Cl)cccc1Cl ZINC000003343957 560593753 /nfs/dbraw/zinc/59/37/53/560593753.db2.gz 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C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Br)cc4F)cc3c2C1 ZINC000003377201 568891554 /nfs/dbraw/zinc/89/15/54/568891554.db2.gz DUPAHDILZPPUGE-LLVKDONJSA-N 0 0 401.279 5.447 50 0 HKAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000003377283 568891541 /nfs/dbraw/zinc/89/15/41/568891541.db2.gz JDEQYDFFRWWVMN-UHFFFAOYSA-N 0 0 419.524 6.846 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1Cl ZINC000003377742 560595545 /nfs/dbraw/zinc/59/55/45/560595545.db2.gz IKTDQALNMOJHKI-SNVBAGLBSA-N 0 0 412.338 5.284 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c1Cl ZINC000003377745 560595529 /nfs/dbraw/zinc/59/55/29/560595529.db2.gz IKTDQALNMOJHKI-JTQLQIEISA-N 0 0 412.338 5.284 50 0 HKAARN COc1ccc2c(CC(=O)OCc3csc(Nc4ccc(C)cc4)n3)coc2c1 ZINC000003378154 568891769 /nfs/dbraw/zinc/89/17/69/568891769.db2.gz KKEYPMZSWZNAIE-UHFFFAOYSA-N 0 0 408.479 5.236 50 0 HKAARN COc1ccc(OCCSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1 ZINC000003378172 568891751 /nfs/dbraw/zinc/89/17/51/568891751.db2.gz 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Cc1ccc(C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 ZINC000003385164 568893152 /nfs/dbraw/zinc/89/31/52/568893152.db2.gz AEKSAIPHOCBRLX-UHFFFAOYSA-N 0 0 402.368 5.622 50 0 HKAARN Cc1sc2nc(CSCCOc3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C ZINC000003385604 568857716 /nfs/dbraw/zinc/85/77/16/568857716.db2.gz FCXZJRZYSKSHRG-UHFFFAOYSA-N 0 0 415.367 5.220 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4nncs4)cc3)sc2c1 ZINC000003385682 568893302 /nfs/dbraw/zinc/89/33/02/568893302.db2.gz RCHCVYAJKNGFQP-GFCCVEGCSA-N 0 0 412.565 5.243 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4nncs4)cc3)sc2c1 ZINC000003385686 568893375 /nfs/dbraw/zinc/89/33/75/568893375.db2.gz RCHCVYAJKNGFQP-LBPRGKRZSA-N 0 0 412.565 5.243 50 0 HKAARN Cc1nnc(SCCCC(=O)c2ccc(Br)cc2)n1-c1ccccc1 ZINC000003385847 568893381 /nfs/dbraw/zinc/89/33/81/568893381.db2.gz ASZGBEIAKSULGK-UHFFFAOYSA-N 0 0 416.344 5.093 50 0 HKAARN Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1Cc1ccc2c(c1)OCO2 ZINC000003385966 568893368 /nfs/dbraw/zinc/89/33/68/568893368.db2.gz 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/nfs/dbraw/zinc/90/67/98/568906798.db2.gz OAIZTWBDHIGZBC-UHFFFAOYSA-N 0 0 401.329 5.750 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1 ZINC000003459443 568906886 /nfs/dbraw/zinc/90/68/86/568906886.db2.gz ISYTVLRRRVQPLU-UHFFFAOYSA-N 0 0 407.720 5.787 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000003460965 557488411 /nfs/dbraw/zinc/48/84/11/557488411.db2.gz MPHMPSFHNMEMDJ-UHFFFAOYSA-N 0 0 400.522 5.209 50 0 HKAARN CCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003463943 557488683 /nfs/dbraw/zinc/48/86/83/557488683.db2.gz FFUONLSVHGRQTF-UHFFFAOYSA-N 0 0 415.489 5.061 50 0 HKAARN Cc1ccc(C)c(COc2c3cc(C)cc4c3n(c(=O)c2-c2ccccc2)CCC4)c1 ZINC000003466879 557488871 /nfs/dbraw/zinc/48/88/71/557488871.db2.gz UFXSSCAMHNRSHL-UHFFFAOYSA-N 0 0 409.529 6.119 50 0 HKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccc(C)cc3)cc21 ZINC000003467199 557488947 /nfs/dbraw/zinc/48/89/47/557488947.db2.gz LFZVFPPASUUJFW-UHFFFAOYSA-N 0 0 413.473 5.643 50 0 biogenic HKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccccc2C)n1 ZINC000003467433 557488936 /nfs/dbraw/zinc/48/89/36/557488936.db2.gz DTMPXAKWRHHGFY-UHFFFAOYSA-N 0 0 416.333 7.132 50 0 HKAARN O=C(NCCSC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003467542 557488879 /nfs/dbraw/zinc/48/88/79/557488879.db2.gz ONVUMZSTNQEGEP-UHFFFAOYSA-N 0 0 423.148 5.604 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)cc1 ZINC000003468782 568860367 /nfs/dbraw/zinc/86/03/67/568860367.db2.gz AZXVEVOTIWEADP-UHFFFAOYSA-N 0 0 404.491 5.095 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000003469568 568907590 /nfs/dbraw/zinc/90/75/90/568907590.db2.gz AOQLEAPOINKTKR-UHFFFAOYSA-N 0 0 424.447 6.748 50 0 HKAARN Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)s2)cc1 ZINC000003469811 560595640 /nfs/dbraw/zinc/59/56/40/560595640.db2.gz PFYQQNLSWFBYLY-UHFFFAOYSA-N 0 0 412.584 5.119 50 0 HKAARN FC(F)(F)c1cccc(CSc2nnc(-c3csc(-c4ccccc4)n3)o2)c1 ZINC000003469881 568907674 /nfs/dbraw/zinc/90/76/74/568907674.db2.gz IQUMITGITIOPBP-UHFFFAOYSA-N 0 0 419.453 6.171 50 0 HKAARN Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3c(C)cccc3C)c2n1 ZINC000003470093 568907705 /nfs/dbraw/zinc/90/77/05/568907705.db2.gz DGVAOPSFXMTESY-UHFFFAOYSA-N 0 0 403.913 6.141 50 0 HKAARN O=S(=O)(CCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000003470152 568907585 /nfs/dbraw/zinc/90/75/85/568907585.db2.gz LXTMBOWWQFGNCY-UHFFFAOYSA-N 0 0 413.244 5.255 50 0 HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000003476650 568908096 /nfs/dbraw/zinc/90/80/96/568908096.db2.gz VLLZWTPOWGLLPB-UHFFFAOYSA-N 0 0 403.525 6.137 50 0 HKAARN O=C(COc1nncc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003477060 568908087 /nfs/dbraw/zinc/90/80/87/568908087.db2.gz IHVDYWBMYFQZQR-UHFFFAOYSA-N 0 0 421.909 5.452 50 0 HKAARN Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 ZINC000003477256 568908120 /nfs/dbraw/zinc/90/81/20/568908120.db2.gz IDCIWDWQNFKNAJ-UHFFFAOYSA-N 0 0 420.925 5.266 50 0 HKAARN CC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)OCO2 ZINC000003477272 568860679 /nfs/dbraw/zinc/86/06/79/568860679.db2.gz YYKTZIHUZFZMMG-UHFFFAOYSA-N 0 0 410.429 5.085 50 0 HKAARN Cc1noc(C)c1COc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000003477319 568908215 /nfs/dbraw/zinc/90/82/15/568908215.db2.gz FCGZXPWXSMCTSW-UHFFFAOYSA-N 0 0 412.489 5.390 50 0 HKAARN COc1ccc2nc(NC(=O)c3oc4ccc(Br)cc4c3C)sc2c1 ZINC000003479209 557489435 /nfs/dbraw/zinc/48/94/35/557489435.db2.gz JQZJUFHHJSJDHF-UHFFFAOYSA-N 0 0 417.284 5.374 50 0 HKAARN O=C(COC(=O)c1ccc2ncsc2c1)N1c2ccccc2Sc2ccccc21 ZINC000003479618 132266599 /nfs/dbraw/zinc/26/65/99/132266599.db2.gz KGTBFATVCQJBTA-UHFFFAOYSA-N 0 0 418.499 5.283 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2C2CCCC2)cc1 ZINC000003481132 568908486 /nfs/dbraw/zinc/90/84/86/568908486.db2.gz QQBCCFNDVJJAHD-UHFFFAOYSA-N 0 0 412.603 5.072 50 0 HKAARN O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000003483259 568860937 /nfs/dbraw/zinc/86/09/37/568860937.db2.gz GGRCBIVNESOHBQ-HNNXBMFYSA-N 0 0 412.342 5.165 50 0 HKAARN O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000003483261 568860920 /nfs/dbraw/zinc/86/09/20/568860920.db2.gz GGRCBIVNESOHBQ-OAHLLOKOSA-N 0 0 412.342 5.165 50 0 HKAARN C[C@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1ccc(F)cc1 ZINC000003486712 568908853 /nfs/dbraw/zinc/90/88/53/568908853.db2.gz XJLSBMFSOVZOGD-ZDUSSCGKSA-N 0 0 411.885 6.674 50 0 HKAARN C[C@@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1ccc(F)cc1 ZINC000003486714 568908808 /nfs/dbraw/zinc/90/88/08/568908808.db2.gz XJLSBMFSOVZOGD-CYBMUJFWSA-N 0 0 411.885 6.674 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003486762 568860930 /nfs/dbraw/zinc/86/09/30/568860930.db2.gz VGNVNJVGUMPKHL-UHFFFAOYSA-N 0 0 407.310 5.002 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000003487034 568909001 /nfs/dbraw/zinc/90/90/01/568909001.db2.gz FGUDOTMECHENNT-SANMLTNESA-N 0 0 422.484 6.259 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000003487037 568909005 /nfs/dbraw/zinc/90/90/05/568909005.db2.gz FGUDOTMECHENNT-AREMUKBSSA-N 0 0 422.484 6.259 50 0 HKAARN COc1cc2c(cc1NC(=O)CSc1ccc3c(c1)OCCO3)oc1ccccc12 ZINC000003489369 568909147 /nfs/dbraw/zinc/90/91/47/568909147.db2.gz NOQWXVKJSGSLIM-UHFFFAOYSA-N 0 0 421.474 5.097 50 0 HKAARN CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)c(C=O)[nH]c1-c1ccccc1 ZINC000003491324 568861035 /nfs/dbraw/zinc/86/10/35/568861035.db2.gz PSSPITAXGZQYQL-UHFFFAOYSA-N 0 0 402.277 5.569 50 0 HKAARN Cc1cc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)n2c2ccccc12 ZINC000003495906 568909608 /nfs/dbraw/zinc/90/96/08/568909608.db2.gz BYHAKTHSVHUOBX-UHFFFAOYSA-N 0 0 418.566 5.110 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cc1ccccc1 ZINC000003497225 568909859 /nfs/dbraw/zinc/90/98/59/568909859.db2.gz XRODTRWINCOEMI-UHFFFAOYSA-N 0 0 401.491 5.058 50 0 HKAARN CCCc1nnc(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 ZINC000003503906 568861569 /nfs/dbraw/zinc/86/15/69/568861569.db2.gz IBQFREVFDPHWAE-UHFFFAOYSA-N 0 0 410.568 5.349 50 0 HKAARN Cc1cc(I)ccc1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000003504082 568910693 /nfs/dbraw/zinc/91/06/93/568910693.db2.gz NMKMCVRIVSSVFK-UHFFFAOYSA-N 0 0 420.678 5.201 50 0 HKAARN FC(F)(F)c1cc(Cl)c2nnc(SCc3cccc(Br)c3)n2c1 ZINC000003504312 568861576 /nfs/dbraw/zinc/86/15/76/568861576.db2.gz XAVKVGOPCIWNIR-UHFFFAOYSA-N 0 0 422.657 5.456 50 0 HKAARN CC[C@@H](c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C ZINC000003504340 568910670 /nfs/dbraw/zinc/91/06/70/568910670.db2.gz JZZHCEZHFTYGOK-SFHVURJKSA-N 0 0 423.611 5.241 50 0 HKAARN CC[C@H](c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C ZINC000003504342 568910720 /nfs/dbraw/zinc/91/07/20/568910720.db2.gz JZZHCEZHFTYGOK-GOSISDBHSA-N 0 0 423.611 5.241 50 0 HKAARN O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 ZINC000003504351 568910725 /nfs/dbraw/zinc/91/07/25/568910725.db2.gz SYXQWZUZFNWQIZ-KRWDZBQOSA-N 0 0 422.337 5.497 50 0 HKAARN O=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 ZINC000003504354 568910704 /nfs/dbraw/zinc/91/07/04/568910704.db2.gz SYXQWZUZFNWQIZ-QGZVFWFLSA-N 0 0 422.337 5.497 50 0 HKAARN COCCn1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccc(C)c1 ZINC000003504439 568861606 /nfs/dbraw/zinc/86/16/06/568861606.db2.gz ITWVJFNSYISRIF-UHFFFAOYSA-N 0 0 422.579 5.316 50 0 HKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)s1 ZINC000003506692 568861621 /nfs/dbraw/zinc/86/16/21/568861621.db2.gz YWNVTDDOEQUJBR-UHFFFAOYSA-N 0 0 412.927 5.019 50 0 HKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000003515615 568911549 /nfs/dbraw/zinc/91/15/49/568911549.db2.gz QZPJSPWOPHSPLX-UHFFFAOYSA-N 0 0 413.395 5.092 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)o1 ZINC000003515988 568861731 /nfs/dbraw/zinc/86/17/31/568861731.db2.gz YUXOGBWFFKSJIZ-UHFFFAOYSA-N 0 0 423.469 5.054 50 0 HKAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003525701 568912481 /nfs/dbraw/zinc/91/24/81/568912481.db2.gz VEQDYIYWRQJOBS-UHFFFAOYSA-N 0 0 408.504 5.129 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003526109 568912457 /nfs/dbraw/zinc/91/24/57/568912457.db2.gz OKVAJGURFBALNS-UHFFFAOYSA-N 0 0 422.859 6.790 50 0 HKAARN CSc1ccccc1NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003526111 568912532 /nfs/dbraw/zinc/91/25/32/568912532.db2.gz ZGSJIIVBLMPEAK-UHFFFAOYSA-N 0 0 416.518 6.719 50 0 HKAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003526182 557491054 /nfs/dbraw/zinc/49/10/54/557491054.db2.gz MJXOVBKPFSZUDE-UHFFFAOYSA-N 0 0 407.429 5.309 50 0 HKAARN Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000003529777 568861781 /nfs/dbraw/zinc/86/17/81/568861781.db2.gz HHRWJAVKFNSYFG-UHFFFAOYSA-N 0 0 421.928 5.041 50 0 HKAARN Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2c(C)cccc2C)cc1 ZINC000003529780 568912704 /nfs/dbraw/zinc/91/27/04/568912704.db2.gz GNFJEVYNQCNXTD-UHFFFAOYSA-N 0 0 415.537 5.004 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(C(F)(F)F)cc1 ZINC000003530015 568912793 /nfs/dbraw/zinc/91/27/93/568912793.db2.gz UPCKNZMOJHTMCC-UHFFFAOYSA-N 0 0 402.850 5.699 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)o1 ZINC000003532230 568861915 /nfs/dbraw/zinc/86/19/15/568861915.db2.gz DMHUXRRMOWGVFT-UHFFFAOYSA-N 0 0 406.872 5.277 50 0 HKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)c1ccc2c(c1)OCO2 ZINC000003533714 568913263 /nfs/dbraw/zinc/91/32/63/568913263.db2.gz CAKFOTUKKIYZAE-UHFFFAOYSA-N 0 0 406.488 5.062 50 0 HKAARN Cc1sc2[nH]c([C@@H](C)Sc3nc(-c4ccc(F)cc4)cs3)nc(=O)c2c1C ZINC000003533972 568913452 /nfs/dbraw/zinc/91/34/52/568913452.db2.gz ADOHHRUBLGSZBI-LLVKDONJSA-N 0 0 417.556 5.717 50 0 HKAARN Cc1sc2[nH]c([C@H](C)Sc3nc(-c4ccc(F)cc4)cs3)nc(=O)c2c1C ZINC000003533974 568913493 /nfs/dbraw/zinc/91/34/93/568913493.db2.gz ADOHHRUBLGSZBI-NSHDSACASA-N 0 0 417.556 5.717 50 0 HKAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3Cc3ccccc3)n[nH]2)cc1 ZINC000003534230 568913429 /nfs/dbraw/zinc/91/34/29/568913429.db2.gz YYDYRYANLHJRRB-UHFFFAOYSA-N 0 0 414.534 5.102 50 0 HKAARN COc1ccc(C)cc1N(C(=O)COc1ccccc1)c1nc2ccccc2s1 ZINC000003547586 568914284 /nfs/dbraw/zinc/91/42/84/568914284.db2.gz OMECIASTIPAZTO-UHFFFAOYSA-N 0 0 404.491 5.357 50 0 aggregator HKAARN COc1ccc(C)cc1N(C(=O)COc1cccc(F)c1)c1nc2ccccc2s1 ZINC000003547593 568914395 /nfs/dbraw/zinc/91/43/95/568914395.db2.gz JKRBQWQOTRHYAW-UHFFFAOYSA-N 0 0 422.481 5.496 50 0 aggregator HKAARN CC[C@@H](c1nnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1)N(C)C ZINC000003551752 568914995 /nfs/dbraw/zinc/91/49/95/568914995.db2.gz UJLZOULPCADYGK-IBGZPJMESA-N 0 0 418.969 5.424 50 0 HKAARN CC[C@H](c1nnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1)N(C)C ZINC000003551755 568914991 /nfs/dbraw/zinc/91/49/91/568914991.db2.gz UJLZOULPCADYGK-LJQANCHMSA-N 0 0 418.969 5.424 50 0 HKAARN CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000003552228 568914925 /nfs/dbraw/zinc/91/49/25/568914925.db2.gz FKLCIHAIQIMVTK-RXVVDRJESA-N 0 0 422.598 5.011 50 0 HKAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000003552230 568914981 /nfs/dbraw/zinc/91/49/81/568914981.db2.gz FKLCIHAIQIMVTK-GHTZIAJQSA-N 0 0 422.598 5.011 50 0 HKAARN CC[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000003552231 568914944 /nfs/dbraw/zinc/91/49/44/568914944.db2.gz FKLCIHAIQIMVTK-NQIIRXRSSA-N 0 0 422.598 5.011 50 0 HKAARN CC[C@H](c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000003552234 568914966 /nfs/dbraw/zinc/91/49/66/568914966.db2.gz FKLCIHAIQIMVTK-WIYYLYMNSA-N 0 0 422.598 5.011 50 0 HKAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000003563063 568916039 /nfs/dbraw/zinc/91/60/39/568916039.db2.gz GQGSFWMNJHOSDH-HXUWFJFHSA-N 0 0 417.490 5.217 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000003563065 560596600 /nfs/dbraw/zinc/59/66/00/560596600.db2.gz GQGSFWMNJHOSDH-FQEVSTJZSA-N 0 0 417.490 5.217 50 0 HKAARN COc1ccccc1C1=N/C(=C/c2ccc(-c3ccccc3Br)o2)C(=O)O1 ZINC000003569545 568916272 /nfs/dbraw/zinc/91/62/72/568916272.db2.gz CWFXFWHCHAPLEB-SFQUDFHCSA-N 0 0 424.250 5.062 50 0 HKAARN COc1ccc(-c2nn(CN(C)Cc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 ZINC000003570119 568916559 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CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000003582516 568917267 /nfs/dbraw/zinc/91/72/67/568917267.db2.gz DUVMSRGKAPFISI-QHCPKHFHSA-N 0 0 405.567 5.170 50 0 HKAARN Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003582594 568863796 /nfs/dbraw/zinc/86/37/96/568863796.db2.gz KUVZRSPXHQFMGB-IBGZPJMESA-N 0 0 419.447 5.448 50 0 HKAARN Fc1ccccc1[C@@H]1c2cccn2CCN1C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003582597 568863718 /nfs/dbraw/zinc/86/37/18/568863718.db2.gz KUVZRSPXHQFMGB-LJQANCHMSA-N 0 0 419.447 5.448 50 0 HKAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000003582712 568917334 /nfs/dbraw/zinc/91/73/34/568917334.db2.gz CFHGQJKSTMHVHB-QHCPKHFHSA-N 0 0 421.566 5.088 50 0 HKAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000003582716 568917270 /nfs/dbraw/zinc/91/72/70/568917270.db2.gz CFHGQJKSTMHVHB-HSZRJFAPSA-N 0 0 421.566 5.088 50 0 HKAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2c(C)cccc2CC)cc1 ZINC000003582744 568917276 /nfs/dbraw/zinc/91/72/76/568917276.db2.gz OMPIDOJPRKLRQC-XMMPIXPASA-N 0 0 419.594 5.560 50 0 HKAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2c(C)cccc2CC)cc1 ZINC000003582746 568917222 /nfs/dbraw/zinc/91/72/22/568917222.db2.gz OMPIDOJPRKLRQC-DEOSSOPVSA-N 0 0 419.594 5.560 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc43)n2)cc1 ZINC000003583588 568863688 /nfs/dbraw/zinc/86/36/88/568863688.db2.gz AGRNHDGGSDSGDD-UHFFFAOYSA-N 0 0 418.378 6.033 50 0 HKAARN COc1ccc(Cc2noc(-c3cc(-c4ccc(F)cc4)nc4ccccc43)n2)cc1 ZINC000003583695 568863656 /nfs/dbraw/zinc/86/36/56/568863656.db2.gz SRWLPWFEZOPDGW-UHFFFAOYSA-N 0 0 411.436 5.690 50 0 HKAARN CC(=O)c1c(OC(=O)c2c(C)onc2-c2ccccc2Cl)ccc2ccccc21 ZINC000003583852 568917261 /nfs/dbraw/zinc/91/72/61/568917261.db2.gz SYNFOTQBTCXMGF-UHFFFAOYSA-N 0 0 405.837 5.878 50 0 HKAARN CCCOc1ccc(-c2ccc(-c3nc(Cc4ccc(OC)cc4)no3)cc2)cc1F ZINC000003583888 568917329 /nfs/dbraw/zinc/91/73/29/568917329.db2.gz UKDHKYXNJIJUKI-UHFFFAOYSA-N 0 0 418.468 5.931 50 0 HKAARN CCCCOc1ccc(-c2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc1 ZINC000003584676 568863794 /nfs/dbraw/zinc/86/37/94/568863794.db2.gz SDYGDFAJRLHDLH-UHFFFAOYSA-N 0 0 409.873 6.199 50 0 HKAARN CCCOc1ccc(-c2ccc(-c3noc(-c4ccc(OCC)cc4)n3)cc2)cc1 ZINC000003584828 568863694 /nfs/dbraw/zinc/86/36/94/568863694.db2.gz XNXCUPNZEMQBAN-UHFFFAOYSA-N 0 0 400.478 6.258 50 0 HKAARN CCCc1ccc(-c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2)cc1 ZINC000003584846 568863599 /nfs/dbraw/zinc/86/35/99/568863599.db2.gz DKHMFBDRZVMIOG-UHFFFAOYSA-N 0 0 419.322 6.786 50 0 HKAARN CCCc1ccc(-c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cc1 ZINC000003584850 568863488 /nfs/dbraw/zinc/86/34/88/568863488.db2.gz MOPCELKIXHGVSW-UHFFFAOYSA-N 0 0 419.322 6.786 50 0 HKAARN O=C(Oc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1)c1ccccc1 ZINC000003584859 568863642 /nfs/dbraw/zinc/86/36/42/568863642.db2.gz UUBAQJGFMQNZJU-UHFFFAOYSA-N 0 0 421.250 5.385 50 0 HKAARN CCCCSCCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21 ZINC000003585444 568917449 /nfs/dbraw/zinc/91/74/49/568917449.db2.gz 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C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 ZINC000003613982 568864118 /nfs/dbraw/zinc/86/41/18/568864118.db2.gz ZHQBVRLLYNDAGB-UGSOOPFHSA-N 0 0 400.931 5.675 50 0 HKAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 ZINC000003613987 568864050 /nfs/dbraw/zinc/86/40/50/568864050.db2.gz ZHQBVRLLYNDAGB-ACJLOTCBSA-N 0 0 400.931 5.675 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(C)c2ccccc2)cc1 ZINC000003614359 568920099 /nfs/dbraw/zinc/92/00/99/568920099.db2.gz YWQFNCBVWMUVIA-XMMPIXPASA-N 0 0 402.494 5.355 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)c2ccccc2)cc1 ZINC000003614363 568920208 /nfs/dbraw/zinc/92/02/08/568920208.db2.gz YWQFNCBVWMUVIA-DEOSSOPVSA-N 0 0 402.494 5.355 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 ZINC000003614405 568920095 /nfs/dbraw/zinc/92/00/95/568920095.db2.gz GVVQOXNBPWWMLI-RUZDIDTESA-N 0 0 414.505 5.281 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 ZINC000003614408 568920138 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50 0 HKAARN Cc1ccc([C@@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000003615584 568864225 /nfs/dbraw/zinc/86/42/25/568864225.db2.gz NVIATWLNBZHMHN-HSZRJFAPSA-N 0 0 406.551 5.219 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)o2)cc1 ZINC000003615773 568920340 /nfs/dbraw/zinc/92/03/40/568920340.db2.gz LNXHWGOHAGOIMK-UHFFFAOYSA-N 0 0 410.539 5.172 50 0 HKAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000003615776 568864291 /nfs/dbraw/zinc/86/42/91/568864291.db2.gz VOLASGSPYHOEAQ-QHCPKHFHSA-N 0 0 421.566 5.524 50 0 HKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000003615781 568864263 /nfs/dbraw/zinc/86/42/63/568864263.db2.gz VOLASGSPYHOEAQ-HSZRJFAPSA-N 0 0 421.566 5.524 50 0 HKAARN Cc1cc2c3c(c1)-c1c(sn(-c4cc(C)cc(C)c4)c1=S)C(C)(C)N3C(=O)C2=O ZINC000003615963 557494674 /nfs/dbraw/zinc/49/46/74/557494674.db2.gz LAFKRTWRAXCKKX-UHFFFAOYSA-N 0 0 420.559 5.639 50 0 HKAARN Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c(O)c1 ZINC000003616009 568920325 /nfs/dbraw/zinc/92/03/25/568920325.db2.gz WYNZYAIDRJSWAL-VWLOTQADSA-N 0 0 413.561 5.851 50 0 HKAARN CCCCOC(=O)c1ccc(NC(=O)CSc2cccc3ccc(C)nc32)cc1 ZINC000003617026 557494736 /nfs/dbraw/zinc/49/47/36/557494736.db2.gz OEFJQMKMDYYJPU-UHFFFAOYSA-N 0 0 408.523 5.231 50 0 HKAARN O=C(NCCOc1cccc2ccccc21)c1ccc(CSC2CCCCC2)cc1 ZINC000003617120 557494722 /nfs/dbraw/zinc/49/47/22/557494722.db2.gz NLOYIJBGZDIXKW-UHFFFAOYSA-N 0 0 419.590 6.215 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC000003617404 568864333 /nfs/dbraw/zinc/86/43/33/568864333.db2.gz KPXBBOPVMWETLD-UHFFFAOYSA-N 0 0 404.895 6.254 50 0 HKAARN O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c3cc(Br)ccc3oc21 ZINC000003617644 568864249 /nfs/dbraw/zinc/86/42/49/568864249.db2.gz IHTBAYHJODPDJE-UHFFFAOYSA-N 0 0 410.145 5.383 50 0 HKAARN COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c21 ZINC000003618294 568864339 /nfs/dbraw/zinc/86/43/39/568864339.db2.gz GXEBDJKEKRPFJI-OAQYLSRUSA-N 0 0 418.518 5.085 50 0 HKAARN CCOC(=O)c1nc(Cl)c(Cl)c(Nc2ccc(N(CC)CC)cc2)c1Cl ZINC000003618330 568864269 /nfs/dbraw/zinc/86/42/69/568864269.db2.gz BQLVBDJOHCZZGQ-UHFFFAOYSA-N 0 0 416.736 5.808 50 0 HKAARN CC(C)(C)c1cc(SC(=O)C(C(F)(F)F)C(F)(F)F)cc(C(C)(C)C)c1O ZINC000003620924 568864834 /nfs/dbraw/zinc/86/48/34/568864834.db2.gz FSFCWSSQWSZJFK-UHFFFAOYSA-N 0 0 416.427 6.347 50 0 HKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000003621886 568920876 /nfs/dbraw/zinc/92/08/76/568920876.db2.gz BUIWWRBOUXCRSY-UHFFFAOYSA-N 0 0 414.288 5.380 50 0 HKAARN Cc1cc2nc3s/c(=C\c4ccc(F)c(Oc5ccccc5)c4)c(=O)n3c2cc1C ZINC000003622398 568864388 /nfs/dbraw/zinc/86/43/88/568864388.db2.gz FPKRTVYZYFRWOO-XKZIYDEJSA-N 0 0 416.477 5.005 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 ZINC000003622641 568864366 /nfs/dbraw/zinc/86/43/66/568864366.db2.gz QVEAAEOYEFPUBR-UHFFFAOYSA-N 0 0 416.304 6.697 50 0 HKAARN c1ccc(N(c2ccccc2)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000003622854 132267177 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Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(F)cc4)cs2)[C@H]3CCC1 ZINC000003624183 557494933 /nfs/dbraw/zinc/49/49/33/557494933.db2.gz NLJYFKCVFAXEHN-QFIPXVFZSA-N 0 0 403.526 6.110 50 0 HKAARN Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(F)cc4)cs2)[C@@H]3CCC1 ZINC000003624185 557495035 /nfs/dbraw/zinc/49/50/35/557495035.db2.gz NLJYFKCVFAXEHN-JOCHJYFZSA-N 0 0 403.526 6.110 50 0 HKAARN O=C(c1nn(-c2ccc(Cl)cc2)c2nc3ccccc3nc12)c1ccc(Cl)cc1 ZINC000003624761 568864637 /nfs/dbraw/zinc/86/46/37/568864637.db2.gz XFCWORHOGDTPKT-UHFFFAOYSA-N 0 0 419.271 5.507 50 0 HKAARN CCCCc1c2c(nn1-c1cc(Cl)ccc1OC)C[C@@H](c1ccccc1)CC2=O ZINC000003624983 568864545 /nfs/dbraw/zinc/86/45/45/568864545.db2.gz YAHCPURLMLEEJD-QGZVFWFLSA-N 0 0 408.929 5.790 50 0 HKAARN CCCCc1c2c(nn1-c1cc(Cl)ccc1OC)C[C@H](c1ccccc1)CC2=O ZINC000003624985 568864636 /nfs/dbraw/zinc/86/46/36/568864636.db2.gz YAHCPURLMLEEJD-KRWDZBQOSA-N 0 0 408.929 5.790 50 0 HKAARN CCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000003625022 568864593 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O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000003625609 568920875 /nfs/dbraw/zinc/92/08/75/568920875.db2.gz BNXYYZYATPMRGA-VWLOTQADSA-N 0 0 418.968 6.147 50 0 HKAARN O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000003625612 568920810 /nfs/dbraw/zinc/92/08/10/568920810.db2.gz BNXYYZYATPMRGA-RUZDIDTESA-N 0 0 418.968 6.147 50 0 HKAARN O=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000003626008 568864962 /nfs/dbraw/zinc/86/49/62/568864962.db2.gz LAPUVIAQSRIPHM-UHFFFAOYSA-N 0 0 410.583 5.086 50 0 HKAARN Cc1ccc(N(C(=O)Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)cc1 ZINC000003626021 568920800 /nfs/dbraw/zinc/92/08/00/568920800.db2.gz AAGSDONCDGDMPM-UHFFFAOYSA-N 0 0 424.610 5.394 50 0 HKAARN O=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000003626059 568864935 /nfs/dbraw/zinc/86/49/35/568864935.db2.gz ZNIQFNVJPUXSBQ-UHFFFAOYSA-N 0 0 424.610 5.476 50 0 HKAARN Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 ZINC000003626068 568864897 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CC(C)(C)c1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003651282 568922641 /nfs/dbraw/zinc/92/26/41/568922641.db2.gz VZYSEQBQEMOGSP-UHFFFAOYSA-N 0 0 420.513 5.169 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 ZINC000003651729 568922706 /nfs/dbraw/zinc/92/27/06/568922706.db2.gz DJZQEHSDDRDCQB-UHFFFAOYSA-N 0 0 408.523 5.349 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 ZINC000003651755 568922741 /nfs/dbraw/zinc/92/27/41/568922741.db2.gz JZTLZOUPSVWHOK-UHFFFAOYSA-N 0 0 408.523 5.349 50 0 HKAARN COc1nc(Nc2ccccc2)nc(Nc2ccc(-c3nc4ccccc4o3)cc2)n1 ZINC000003651783 568922790 /nfs/dbraw/zinc/92/27/90/568922790.db2.gz BUGFOVKWLVENKO-UHFFFAOYSA-N 0 0 410.437 5.176 50 0 HKAARN CCOc1nc(Nc2ccccc2)nc(Nc2ccc(-c3nc4ccccc4o3)cc2)n1 ZINC000003651785 568922776 /nfs/dbraw/zinc/92/27/76/568922776.db2.gz RBFZNPVXWQNKPF-UHFFFAOYSA-N 0 0 424.464 5.566 50 0 HKAARN CCOc1ccc(N[C@@H](c2c[nH]c3ccccc32)P2(=O)OCC(C)(C)CO2)cc1 ZINC000003651895 568922802 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CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000003653245 557496954 /nfs/dbraw/zinc/49/69/54/557496954.db2.gz MCSQZYAKRZJCDS-QFIPXVFZSA-N 0 0 420.538 5.265 50 0 HKAARN Clc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccco2)Nc2ccccc2-3)cc1 ZINC000003653311 557496909 /nfs/dbraw/zinc/49/69/09/557496909.db2.gz FQOZALJQHQETOC-IBGZPJMESA-N 0 0 422.897 5.580 50 0 HKAARN Clc1ccc(CSc2nnc3c(n2)O[C@H](c2ccco2)Nc2ccccc2-3)cc1 ZINC000003653313 557496916 /nfs/dbraw/zinc/49/69/16/557496916.db2.gz FQOZALJQHQETOC-LJQANCHMSA-N 0 0 422.897 5.580 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@H](CC)Nc1ccc(Br)cc1-2 ZINC000003653352 557496943 /nfs/dbraw/zinc/49/69/43/557496943.db2.gz SYABMPVTGWRJNM-CQSZACIVSA-N 0 0 409.353 5.124 50 0 HKAARN CCCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccc(Br)cc1-2 ZINC000003653354 557496939 /nfs/dbraw/zinc/49/69/39/557496939.db2.gz SYABMPVTGWRJNM-AWEZNQCLSA-N 0 0 409.353 5.124 50 0 HKAARN Clc1ccc(CSc2nnc3c(n2)OC2(CCCCC2)Nc2ccccc2-3)cc1 ZINC000003653373 557496875 /nfs/dbraw/zinc/49/68/75/557496875.db2.gz 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CCCCSc1nnc2c(n1)O[C@H](c1cccc(O)c1Cl)Nc1ccccc1-2 ZINC000003655204 557496891 /nfs/dbraw/zinc/49/68/91/557496891.db2.gz WUPYEYNJPLNLOH-GOSISDBHSA-N 0 0 414.918 5.293 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1Cl)Nc1ccccc1-2 ZINC000003655205 557496882 /nfs/dbraw/zinc/49/68/82/557496882.db2.gz WUPYEYNJPLNLOH-SFHVURJKSA-N 0 0 414.918 5.293 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2Cl)cc1 ZINC000003655289 568866500 /nfs/dbraw/zinc/86/65/00/568866500.db2.gz AOWSLILGZHYHHL-UHFFFAOYSA-N 0 0 419.864 5.643 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000003655290 568866516 /nfs/dbraw/zinc/86/65/16/568866516.db2.gz ABUVMGFGPWQDIJ-UHFFFAOYSA-N 0 0 419.864 5.643 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 ZINC000003655291 568866513 /nfs/dbraw/zinc/86/65/13/568866513.db2.gz KHQQXXSXKLAUDK-UHFFFAOYSA-N 0 0 403.409 5.129 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 ZINC000003655292 568866499 /nfs/dbraw/zinc/86/64/99/568866499.db2.gz NUXOBGSKTMIQFU-UHFFFAOYSA-N 0 0 403.409 5.129 50 0 HKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1OC ZINC000003655301 568866483 /nfs/dbraw/zinc/86/64/83/568866483.db2.gz RFJRPNLHXJVEND-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003655304 568866478 /nfs/dbraw/zinc/86/64/78/568866478.db2.gz RFDIBXUMLYUUAF-UHFFFAOYSA-N 0 0 411.501 6.522 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000003655328 568866479 /nfs/dbraw/zinc/86/64/79/568866479.db2.gz USQSWXHVVMYQTG-UHFFFAOYSA-N 0 0 413.473 6.012 50 0 HKAARN CCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655329 568866515 /nfs/dbraw/zinc/86/65/15/568866515.db2.gz LRFZVMPCZGPUQV-UHFFFAOYSA-N 0 0 413.473 6.013 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655340 568866487 /nfs/dbraw/zinc/86/64/87/568866487.db2.gz SIYNBPNREMKIJQ-UHFFFAOYSA-N 0 0 413.404 6.110 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655341 568866484 /nfs/dbraw/zinc/86/64/84/568866484.db2.gz AOQMRAQIHAVBFB-UHFFFAOYSA-N 0 0 409.441 6.279 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003655345 568866530 /nfs/dbraw/zinc/86/65/30/568866530.db2.gz NHHOPNWCPRJFDP-UHFFFAOYSA-N 0 0 420.262 5.679 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655360 568866497 /nfs/dbraw/zinc/86/64/97/568866497.db2.gz UZOIFXXCKPACKB-UHFFFAOYSA-N 0 0 415.464 6.353 50 0 HKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655364 568866460 /nfs/dbraw/zinc/86/64/60/568866460.db2.gz KUHAPBKSTNULHH-UHFFFAOYSA-N 0 0 405.837 5.578 50 0 HKAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655367 568866506 /nfs/dbraw/zinc/86/65/06/568866506.db2.gz QFTFCYYKWIUIRJ-UHFFFAOYSA-N 0 0 405.837 5.578 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1ccccc1Br ZINC000003655375 568866524 /nfs/dbraw/zinc/86/65/24/568866524.db2.gz HXUASQWVGPMBSX-UHFFFAOYSA-N 0 0 420.262 5.679 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000003655378 568866475 /nfs/dbraw/zinc/86/64/75/568866475.db2.gz DKANCLZDLKKDIH-UHFFFAOYSA-N 0 0 420.262 5.679 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655384 568866477 /nfs/dbraw/zinc/86/64/77/568866477.db2.gz ULNVEGZMYAXOQG-UHFFFAOYSA-N 0 0 405.837 5.335 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655385 568866510 /nfs/dbraw/zinc/86/65/10/568866510.db2.gz PLQRTOSJZQMWFY-UHFFFAOYSA-N 0 0 423.827 5.474 50 0 HKAARN O=C(COc1ccccc1)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655389 557496861 /nfs/dbraw/zinc/49/68/61/557496861.db2.gz UCXYESJQVRTGFS-UHFFFAOYSA-N 0 0 405.837 5.335 50 0 HKAARN O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655391 568866473 /nfs/dbraw/zinc/86/64/73/568866473.db2.gz OTCWEZPOVPBQEW-UHFFFAOYSA-N 0 0 423.827 5.474 50 0 HKAARN Cc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655394 568866461 /nfs/dbraw/zinc/86/64/61/568866461.db2.gz 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/nfs/dbraw/zinc/32/12/27/569321227.db2.gz CXGMTHFIKVHDJJ-LJQANCHMSA-N 0 0 413.702 5.874 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2nc(S[C@@H](C)c3ccccc3)sc2c1 ZINC000003664778 568923981 /nfs/dbraw/zinc/92/39/81/568923981.db2.gz WDMSSXTXJMBGBH-HNNXBMFYSA-N 0 0 420.559 6.411 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2nc(S[C@H](C)c3ccccc3)sc2c1 ZINC000003664779 568923964 /nfs/dbraw/zinc/92/39/64/568923964.db2.gz WDMSSXTXJMBGBH-OAHLLOKOSA-N 0 0 420.559 6.411 50 0 HKAARN O=C(c1c2cc(O)ccc2n(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000003664928 568867011 /nfs/dbraw/zinc/86/70/11/568867011.db2.gz QVHUBEHKPSAMFB-UHFFFAOYSA-N 0 0 403.481 6.293 50 0 HKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)Cc1ccccc1 ZINC000003665402 568923973 /nfs/dbraw/zinc/92/39/73/568923973.db2.gz PHICJVBSYPEOLS-UHFFFAOYSA-N 0 0 402.972 5.809 50 0 HKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1ccc(C)cc1)Cc1cccnc1 ZINC000003665407 568923955 /nfs/dbraw/zinc/92/39/55/568923955.db2.gz VPNPDOWXGQZPKR-UHFFFAOYSA-N 0 0 411.958 5.451 50 0 HKAARN COc1ccc(Cl)cc1NC(=S)N(Cc1ccc(C)cc1)Cc1ccccn1 ZINC000003665409 568924025 /nfs/dbraw/zinc/92/40/25/568924025.db2.gz CUBSIPUIBYVHNP-UHFFFAOYSA-N 0 0 411.958 5.451 50 0 HKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000003665433 568924282 /nfs/dbraw/zinc/92/42/82/568924282.db2.gz PNTNDOZMDDNEGR-UHFFFAOYSA-N 0 0 416.377 6.096 50 0 HKAARN COc1ccc(NC(=S)N(Cc2cccs2)Cc2ccccc2)cc1Cl ZINC000003665631 568924272 /nfs/dbraw/zinc/92/42/72/568924272.db2.gz LBCKBNWKNONHPL-UHFFFAOYSA-N 0 0 402.972 5.809 50 0 HKAARN COc1ccc(NC(=S)N(Cc2ccco2)Cc2ccc(C)cc2)cc1Cl ZINC000003665633 568924157 /nfs/dbraw/zinc/92/41/57/568924157.db2.gz JCSUBLKRWPSISD-UHFFFAOYSA-N 0 0 400.931 5.649 50 0 HKAARN COc1ccc(NC(=S)N(Cc2ccc(C)cc2)Cc2cccnc2)cc1Cl ZINC000003665637 568924148 /nfs/dbraw/zinc/92/41/48/568924148.db2.gz CNCSLZOBXPGJEL-UHFFFAOYSA-N 0 0 411.958 5.451 50 0 HKAARN Cc1ccc(CN(Cc2ccco2)C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003665664 568924195 /nfs/dbraw/zinc/92/41/95/568924195.db2.gz RVHYTFPOKTXCPX-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/92/43/68/568924368.db2.gz WPWYORNMSAWSAY-UHFFFAOYSA-N 0 0 409.020 6.250 50 0 HKAARN S=C(Nc1ccccc1Cl)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000003665747 568924348 /nfs/dbraw/zinc/92/43/48/568924348.db2.gz NYMMQKQIWXLLBO-UHFFFAOYSA-N 0 0 402.350 5.788 50 0 HKAARN S=C(Nc1ccccc1Cl)N(Cc1ccccn1)Cc1ccccc1Cl ZINC000003665751 568924405 /nfs/dbraw/zinc/92/44/05/568924405.db2.gz SDUFBNVPECILKI-UHFFFAOYSA-N 0 0 402.350 5.788 50 0 HKAARN Cc1ccc2[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 ZINC000003666052 132268068 /nfs/dbraw/zinc/26/80/68/132268068.db2.gz FVIQRKNJUNXJEC-UHFFFAOYSA-N 0 0 403.532 5.793 50 0 HKAARN Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)C(=O)c3ccccc3-4)[nH]2)cc1 ZINC000003666265 557497464 /nfs/dbraw/zinc/49/74/64/557497464.db2.gz AWJCAZXSXJNEJA-UHFFFAOYSA-N 0 0 412.492 6.931 50 0 HKAARN CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1 ZINC000003666293 132268074 /nfs/dbraw/zinc/26/80/74/132268074.db2.gz UYNYUNLNRHHFJK-VWLOTQADSA-N 0 0 400.522 6.055 50 0 HKAARN CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(C)C)cc2)cc1 ZINC000003666294 132268099 /nfs/dbraw/zinc/26/80/99/132268099.db2.gz UYNYUNLNRHHFJK-RUZDIDTESA-N 0 0 400.522 6.055 50 0 HKAARN CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000003666295 132268065 /nfs/dbraw/zinc/26/80/65/132268065.db2.gz RNHMYCVIMDJTRN-MHZLTWQESA-N 0 0 422.528 6.646 50 0 HKAARN CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000003666296 535235636 /nfs/dbraw/zinc/23/56/36/535235636.db2.gz RNHMYCVIMDJTRN-HHHXNRCGSA-N 0 0 422.528 6.646 50 0 HKAARN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000003666302 535327767 /nfs/dbraw/zinc/32/77/67/535327767.db2.gz NHCCHXYSTTYPCJ-DEOSSOPVSA-N 0 0 420.940 6.598 50 0 HKAARN CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000003666303 132268101 /nfs/dbraw/zinc/26/81/01/132268101.db2.gz NHCCHXYSTTYPCJ-XMMPIXPASA-N 0 0 420.940 6.598 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003666353 568867164 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CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000003666959 568867199 /nfs/dbraw/zinc/86/71/99/568867199.db2.gz WKIHBOCRTNAYKS-JGYHXSOQSA-N 0 0 411.545 6.347 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666984 132268060 /nfs/dbraw/zinc/26/80/60/132268060.db2.gz QJRVWMAVYDXNLM-NRFANRHFSA-N 0 0 413.304 6.163 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000003666985 132268116 /nfs/dbraw/zinc/26/81/16/132268116.db2.gz QJRVWMAVYDXNLM-OAQYLSRUSA-N 0 0 413.304 6.163 50 0 HKAARN Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1Nc1ccccc1 ZINC000003667387 568924482 /nfs/dbraw/zinc/92/44/82/568924482.db2.gz VDTLRJXQSBPBCS-UHFFFAOYSA-N 0 0 420.472 5.607 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(F)c3ccccc23)n1-c1ccccc1 ZINC000003667513 557497766 /nfs/dbraw/zinc/49/77/66/557497766.db2.gz RGUBLJTXQBLHAN-UHFFFAOYSA-N 0 0 412.489 5.970 50 0 HKAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000003667542 132268062 /nfs/dbraw/zinc/26/80/62/132268062.db2.gz SUAAJRMEJUQPOS-IBGZPJMESA-N 0 0 421.686 6.557 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000003667543 132268119 /nfs/dbraw/zinc/26/81/19/132268119.db2.gz SUAAJRMEJUQPOS-LJQANCHMSA-N 0 0 421.686 6.557 50 0 HKAARN Fc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc12 ZINC000003667544 557497773 /nfs/dbraw/zinc/49/77/73/557497773.db2.gz LRVLONVVMRBYIG-UHFFFAOYSA-N 0 0 411.505 6.519 50 0 HKAARN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000003667546 535327474 /nfs/dbraw/zinc/32/74/74/535327474.db2.gz WYBRIARTJRDHBR-QHCPKHFHSA-N 0 0 424.903 6.429 50 0 HKAARN CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000003667547 132268104 /nfs/dbraw/zinc/26/81/04/132268104.db2.gz WYBRIARTJRDHBR-HSZRJFAPSA-N 0 0 424.903 6.429 50 0 HKAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc([C@@H](C)CC)cc2)cc1 ZINC000003667548 535283678 /nfs/dbraw/zinc/28/36/78/535283678.db2.gz HWCRCADETHWXDQ-SIBVEZHUSA-N 0 0 414.549 6.760 50 0 HKAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc([C@@H](C)CC)cc2)cc1 ZINC000003667549 132268109 /nfs/dbraw/zinc/26/81/09/132268109.db2.gz HWCRCADETHWXDQ-AFMDSPMNSA-N 0 0 414.549 6.760 50 0 HKAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc([C@H](C)CC)cc2)cc1 ZINC000003667550 535285088 /nfs/dbraw/zinc/28/50/88/535285088.db2.gz HWCRCADETHWXDQ-BCHFMIIMSA-N 0 0 414.549 6.760 50 0 HKAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc([C@H](C)CC)cc2)cc1 ZINC000003667551 132268076 /nfs/dbraw/zinc/26/80/76/132268076.db2.gz HWCRCADETHWXDQ-NIYFSFCBSA-N 0 0 414.549 6.760 50 0 HKAARN CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000003667553 132268087 /nfs/dbraw/zinc/26/80/87/132268087.db2.gz QIURJUYTBXKMRM-SANMLTNESA-N 0 0 414.549 6.616 50 0 HKAARN CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000003667554 535236114 /nfs/dbraw/zinc/23/61/14/535236114.db2.gz QIURJUYTBXKMRM-AREMUKBSSA-N 0 0 414.549 6.616 50 0 HKAARN CCOc1cc(C)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1C(C)C ZINC000003667688 568867257 /nfs/dbraw/zinc/86/72/57/568867257.db2.gz FBAAIBUMOPVGOP-ZHZULCJRSA-N 0 0 400.588 5.250 50 0 HKAARN CCOc1ccc2ccc(OCC)c(/C=C3\NC(=S)N(C4CCCCC4)C3=O)c2c1 ZINC000003667787 568867346 /nfs/dbraw/zinc/86/73/46/568867346.db2.gz PDNHMFZMNAPAFN-QNGOZBTKSA-N 0 0 424.566 5.028 50 0 HKAARN CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)cc1 ZINC000003668047 568867364 /nfs/dbraw/zinc/86/73/64/568867364.db2.gz NRESQUUULYTNPZ-UHFFFAOYSA-N 0 0 413.439 7.048 50 0 HKAARN O=C(c1ccccc1)c1ccc(-c2[nH]c(-c3cccc(F)c3)nc2-c2ccccc2)cc1 ZINC000003668095 568924433 /nfs/dbraw/zinc/92/44/33/568924433.db2.gz SJLJIAFFXJGIBF-UHFFFAOYSA-N 0 0 418.471 6.781 50 0 HKAARN FC(F)(F)c1cccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000003668315 568867351 /nfs/dbraw/zinc/86/73/51/568867351.db2.gz ROVZGQNUHIBCAO-UHFFFAOYSA-N 0 0 402.485 7.620 50 0 HKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000003668387 568867313 /nfs/dbraw/zinc/86/73/13/568867313.db2.gz AFNTXNNVYVGGKX-BZZOAKBMSA-N 0 0 420.921 5.879 50 0 HKAARN Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)s2)C(Cl)(Cl)Cl)cc1 ZINC000003668687 568924307 /nfs/dbraw/zinc/92/43/07/568924307.db2.gz TVULNWAEKOGEOR-LBPRGKRZSA-N 0 0 419.182 5.100 50 0 HKAARN Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)s2)C(Cl)(Cl)Cl)cc1 ZINC000003668688 568924457 /nfs/dbraw/zinc/92/44/57/568924457.db2.gz TVULNWAEKOGEOR-GFCCVEGCSA-N 0 0 419.182 5.100 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1 ZINC000003668733 568924621 /nfs/dbraw/zinc/92/46/21/568924621.db2.gz UFQDFFQAAXMYIL-UHFFFAOYSA-N 0 0 403.301 5.142 50 0 HKAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 ZINC000003669059 132268361 /nfs/dbraw/zinc/26/83/61/132268361.db2.gz XAKDOBAXAKHYBV-IBGZPJMESA-N 0 0 403.696 6.418 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 ZINC000003669060 132268339 /nfs/dbraw/zinc/26/83/39/132268339.db2.gz XAKDOBAXAKHYBV-LJQANCHMSA-N 0 0 403.696 6.418 50 0 HKAARN c1ccc(Sc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 ZINC000003669287 568867389 /nfs/dbraw/zinc/86/73/89/568867389.db2.gz QXTLXDWTGLXYRT-UHFFFAOYSA-N 0 0 404.538 7.562 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003669340 568867322 /nfs/dbraw/zinc/86/73/22/568867322.db2.gz KISIWYKVWMQNCM-NTLHWZGGSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003669341 568867377 /nfs/dbraw/zinc/86/73/77/568867377.db2.gz KISIWYKVWMQNCM-PIGMASFWSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003669342 568867327 /nfs/dbraw/zinc/86/73/27/568867327.db2.gz KISIWYKVWMQNCM-RNRLWQTKSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003669343 568867412 /nfs/dbraw/zinc/86/74/12/568867412.db2.gz KISIWYKVWMQNCM-LVWKZKTISA-N 0 0 408.328 6.475 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003669345 568867428 /nfs/dbraw/zinc/86/74/28/568867428.db2.gz OMTSQBNURCOIEJ-NTLHWZGGSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003669346 568867310 /nfs/dbraw/zinc/86/73/10/568867310.db2.gz OMTSQBNURCOIEJ-PIGMASFWSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003669347 568867315 /nfs/dbraw/zinc/86/73/15/568867315.db2.gz OMTSQBNURCOIEJ-RNRLWQTKSA-N 0 0 408.328 6.475 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003669348 568867337 /nfs/dbraw/zinc/86/73/37/568867337.db2.gz OMTSQBNURCOIEJ-LVWKZKTISA-N 0 0 408.328 6.475 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000003669352 568924548 /nfs/dbraw/zinc/92/45/48/568924548.db2.gz LWIGUOWRZOXWSI-RABUFTMVSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000003669353 568924561 /nfs/dbraw/zinc/92/45/61/568924561.db2.gz LWIGUOWRZOXWSI-OSXLHZELSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000003669354 568924603 /nfs/dbraw/zinc/92/46/03/568924603.db2.gz LWIGUOWRZOXWSI-XFYPZNOGSA-N 0 0 418.334 5.931 50 0 HKAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000003669355 568924542 /nfs/dbraw/zinc/92/45/42/568924542.db2.gz LWIGUOWRZOXWSI-RADKVMJMSA-N 0 0 418.334 5.931 50 0 HKAARN Cc1ccc2c(c1)-c1c(sn(-c3ccc(C(F)(F)F)cc3)c1=S)C(C)(C)N2 ZINC000003669389 568867326 /nfs/dbraw/zinc/86/73/26/568867326.db2.gz OJBJROZAEGMSGC-UHFFFAOYSA-N 0 0 406.498 6.923 50 0 HKAARN COc1ccccc1N1C(C)=CC(C)(C)N=C1SCc1c(Cl)cccc1Cl ZINC000003669465 132268298 /nfs/dbraw/zinc/26/82/98/132268298.db2.gz UQKQMGJPHJUVGZ-UHFFFAOYSA-N 0 0 421.393 6.794 50 0 HKAARN COc1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2CCCO)cc1 ZINC000003669566 568867308 /nfs/dbraw/zinc/86/73/08/568867308.db2.gz JATKALOKUUTTLU-QPLCGJKRSA-N 0 0 416.546 5.507 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 ZINC000003669823 557497822 /nfs/dbraw/zinc/49/78/22/557497822.db2.gz ICYWALCIQPPSRO-KGENOOAVSA-N 0 0 417.848 5.212 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 ZINC000003669824 568867409 /nfs/dbraw/zinc/86/74/09/568867409.db2.gz ICYWALCIQPPSRO-STZFKDTASA-N 0 0 417.848 5.212 50 0 HKAARN CC(C)OC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000003669881 557497752 /nfs/dbraw/zinc/49/77/52/557497752.db2.gz HVGWSMDREVWNLT-UHFFFAOYSA-N 0 0 405.947 5.417 50 0 HKAARN O=c1cc2c3c(ccc(Br)c3C(=O)c3ccccc3-2)n1C1CCCCC1 ZINC000003670006 569321475 /nfs/dbraw/zinc/32/14/75/569321475.db2.gz CMUPHMITGIOPCF-UHFFFAOYSA-N 0 0 408.295 5.481 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc21)c1cccc2ccccc21 ZINC000003670109 568867379 /nfs/dbraw/zinc/86/73/79/568867379.db2.gz IZPASKJEGDKDPA-UHFFFAOYSA-N 0 0 404.274 5.463 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc21)c1ccc2ccccc2c1 ZINC000003670645 568867307 /nfs/dbraw/zinc/86/73/07/568867307.db2.gz WWJCWBPJLXRIRU-UHFFFAOYSA-N 0 0 404.274 5.463 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000003670857 568867445 /nfs/dbraw/zinc/86/74/45/568867445.db2.gz HOZIIWBZSSIYJM-UHFFFAOYSA-N 0 0 420.896 6.579 50 0 HKAARN CCC(=O)Nc1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000003671035 568867550 /nfs/dbraw/zinc/86/75/50/568867550.db2.gz AEZXYJZBHGFUHV-UHFFFAOYSA-N 0 0 404.560 6.527 50 0 HKAARN c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3ccccc34)[nH]2)cc1 ZINC000003671135 568867504 /nfs/dbraw/zinc/86/75/04/568867504.db2.gz PPRGNHYFGMSRIY-UHFFFAOYSA-N 0 0 402.522 7.779 50 0 HKAARN CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1 ZINC000003671199 568867450 /nfs/dbraw/zinc/86/74/50/568867450.db2.gz OWWPNUGUKSIVDT-HNNXBMFYSA-N 0 0 415.555 5.162 50 0 HKAARN CCCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1 ZINC000003671200 568867496 /nfs/dbraw/zinc/86/74/96/568867496.db2.gz OWWPNUGUKSIVDT-OAHLLOKOSA-N 0 0 415.555 5.162 50 0 HKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000003671255 568867489 /nfs/dbraw/zinc/86/74/89/568867489.db2.gz OUHZIUQLEPBHIU-UHFFFAOYSA-N 0 0 408.523 5.677 50 0 HKAARN Cc1cc2nc(SCc3cccc(Cl)c3)n(Cc3ccccc3F)c2cc1C ZINC000003671321 569321454 /nfs/dbraw/zinc/32/14/54/569321454.db2.gz BITLLCOTYSXOMG-UHFFFAOYSA-N 0 0 410.945 6.786 50 0 HKAARN CO[C@@H](c1oc2c(cc3c(C)cc(=O)oc3c2C)c1-c1ccccc1)c1ccccc1 ZINC000003671606 557497759 /nfs/dbraw/zinc/49/77/59/557497759.db2.gz RUBTWBGJNVEVOB-AREMUKBSSA-N 0 0 410.469 6.559 50 0 biogenic HKAARN CO[C@H](c1oc2c(cc3c(C)cc(=O)oc3c2C)c1-c1ccccc1)c1ccccc1 ZINC000003671607 557497864 /nfs/dbraw/zinc/49/78/64/557497864.db2.gz RUBTWBGJNVEVOB-SANMLTNESA-N 0 0 410.469 6.559 50 0 biogenic HKAARN c1ccc(CCn2c(CSc3nc4ccccc4s3)nc3ccccc32)cc1 ZINC000003671689 568867526 /nfs/dbraw/zinc/86/75/26/568867526.db2.gz KOHIWFMCWIWUFB-UHFFFAOYSA-N 0 0 401.560 6.181 50 0 HKAARN COc1ccc(CCC2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 ZINC000003671864 557498101 /nfs/dbraw/zinc/49/81/01/557498101.db2.gz OFGZUUNKRRQIJN-UHFFFAOYSA-N 0 0 412.986 6.321 50 0 HKAARN Cc1cc(=O)oc2c3c(Nc4ccc(Br)c(Cl)c4)coc3ccc12 ZINC000003671982 568867482 /nfs/dbraw/zinc/86/74/82/568867482.db2.gz DWPRYBYRRHXKOW-UHFFFAOYSA-N 0 0 404.647 6.007 50 0 HKAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc(C)cc1 ZINC000003672012 568867539 /nfs/dbraw/zinc/86/75/39/568867539.db2.gz QJTKMWGQSNYXOQ-VWLOTQADSA-N 0 0 424.504 5.378 50 0 HKAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(C)cc1 ZINC000003672013 568867546 /nfs/dbraw/zinc/86/75/46/568867546.db2.gz QJTKMWGQSNYXOQ-RUZDIDTESA-N 0 0 424.504 5.378 50 0 HKAARN Cc1cccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CCCC3)c1 ZINC000003672097 568924611 /nfs/dbraw/zinc/92/46/11/568924611.db2.gz FHWIRQYUOOLCNF-UHFFFAOYSA-N 0 0 421.591 5.997 50 0 HKAARN S=C1N=C(c2ccc(OCc3ccccc3)cc2)C[C@@H](c2ccccc2Cl)N1 ZINC000003672175 568867464 /nfs/dbraw/zinc/86/74/64/568867464.db2.gz OGYDKECXQLNLRV-QFIPXVFZSA-N 0 0 406.938 5.479 50 0 HKAARN S=C1N=C(c2ccc(OCc3ccccc3)cc2)C[C@H](c2ccccc2Cl)N1 ZINC000003672176 568867532 /nfs/dbraw/zinc/86/75/32/568867532.db2.gz OGYDKECXQLNLRV-JOCHJYFZSA-N 0 0 406.938 5.479 50 0 HKAARN Cc1ccc(-c2nn(CN3CCCc4ccccc43)c(=S)n2-c2ccccc2)cc1 ZINC000003672184 132268458 /nfs/dbraw/zinc/26/84/58/132268458.db2.gz KKMCFUYXOSYXGE-UHFFFAOYSA-N 0 0 412.562 5.789 50 0 HKAARN CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1-n1c(C)ccc1C ZINC000003672238 568867541 /nfs/dbraw/zinc/86/75/41/568867541.db2.gz VFSDHYMZLPLVIA-UHFFFAOYSA-N 0 0 408.509 5.090 50 0 HKAARN CCCCCCOc1cccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000003672245 557497981 /nfs/dbraw/zinc/49/79/81/557497981.db2.gz FIEYHWZORWAACQ-UHFFFAOYSA-N 0 0 423.534 6.346 50 0 HKAARN Brc1ccc(SCCc2ccc3cc(-c4ccccc4)cn3c2)cc1 ZINC000003672383 568867502 /nfs/dbraw/zinc/86/75/02/568867502.db2.gz IXYXSHIWKXFGKF-UHFFFAOYSA-N 0 0 408.364 6.704 50 0 HKAARN Cc1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)cc1 ZINC000003672569 568867536 /nfs/dbraw/zinc/86/75/36/568867536.db2.gz GGEHJVGXZKBQMC-UHFFFAOYSA-N 0 0 411.839 6.517 50 0 HKAARN Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1ccc(F)cc1F)CC(C)(C)CC2=O ZINC000003672595 568867485 /nfs/dbraw/zinc/86/74/85/568867485.db2.gz KQYOJAJLYVMWGF-UHFFFAOYSA-N 0 0 420.714 6.132 50 0 HKAARN COc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3n2)cc1 ZINC000003672636 568867512 /nfs/dbraw/zinc/86/75/12/568867512.db2.gz CZXUBJVIOXMCKG-UHFFFAOYSA-N 0 0 413.864 6.281 50 0 HKAARN CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1 ZINC000003672734 557497966 /nfs/dbraw/zinc/49/79/66/557497966.db2.gz JMJDVROOOIUSEN-UHFFFAOYSA-N 0 0 423.900 5.099 50 0 HKAARN CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000003672756 557497956 /nfs/dbraw/zinc/49/79/56/557497956.db2.gz FNPPGVQLLHAKEW-AREMUKBSSA-N 0 0 408.505 5.658 50 0 HKAARN CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000003672757 557498008 /nfs/dbraw/zinc/49/80/08/557498008.db2.gz FNPPGVQLLHAKEW-SANMLTNESA-N 0 0 408.505 5.658 50 0 HKAARN Cc1cccc2nc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cn21 ZINC000003672822 568924538 /nfs/dbraw/zinc/92/45/38/568924538.db2.gz QKGUNRUZCVDMOG-UHFFFAOYSA-N 0 0 406.283 5.325 50 0 HKAARN Cc1ccsc1-c1nc2ccccc2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003764176 568868032 /nfs/dbraw/zinc/86/80/32/568868032.db2.gz MJQHISWCSHQJBT-UHFFFAOYSA-N 0 0 418.606 7.363 50 0 HKAARN CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000003764177 568868120 /nfs/dbraw/zinc/86/81/20/568868120.db2.gz DMQRWPUVWGXZCP-UHFFFAOYSA-N 0 0 412.877 5.414 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)oc2c1 ZINC000003764482 557498019 /nfs/dbraw/zinc/49/80/19/557498019.db2.gz KFIMZGZZDNYYBU-UHFFFAOYSA-N 0 0 411.255 5.719 50 0 HKAARN CCN(CC)C1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)S1 ZINC000003764779 568868095 /nfs/dbraw/zinc/86/80/95/568868095.db2.gz DZNJRAAOPOSGGR-QGZVFWFLSA-N 0 0 414.493 5.417 50 0 HKAARN CCN(CC)C1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)S1 ZINC000003764780 568868034 /nfs/dbraw/zinc/86/80/34/568868034.db2.gz DZNJRAAOPOSGGR-KRWDZBQOSA-N 0 0 414.493 5.417 50 0 HKAARN O=Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000003764994 557498012 /nfs/dbraw/zinc/49/80/12/557498012.db2.gz OHJCBOUWGMDLGX-UHFFFAOYSA-N 0 0 420.100 5.756 50 0 HKAARN CCCCc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000003765102 557498066 /nfs/dbraw/zinc/49/80/66/557498066.db2.gz FELKAIRCBKDIBL-UHFFFAOYSA-N 0 0 402.607 6.538 50 0 HKAARN Cc1ccc(-c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)cc1 ZINC000003765213 557497988 /nfs/dbraw/zinc/49/79/88/557497988.db2.gz MDDUZQZSSMQMOY-UHFFFAOYSA-N 0 0 422.237 6.697 50 0 HKAARN Cc1nn2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(F)(F)F)c1-c1ccccc1 ZINC000003765214 557498062 /nfs/dbraw/zinc/49/80/62/557498062.db2.gz ITUGAZKYDOPYEG-UHFFFAOYSA-N 0 0 422.237 6.697 50 0 HKAARN Cc1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000003765215 557498072 /nfs/dbraw/zinc/49/80/72/557498072.db2.gz SVRFANMRJWZATP-UHFFFAOYSA-N 0 0 405.782 6.183 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000003765216 568868118 /nfs/dbraw/zinc/86/81/18/568868118.db2.gz SXUKFTJULQLIEP-UHFFFAOYSA-N 0 0 408.210 6.389 50 0 HKAARN Fc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n2)cc1 ZINC000003765372 568868022 /nfs/dbraw/zinc/86/80/22/568868022.db2.gz GAOVGJHEZJINIC-UHFFFAOYSA-N 0 0 423.822 6.474 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000003765382 568868065 /nfs/dbraw/zinc/86/80/65/568868065.db2.gz SLQMFNWIQQBHQT-UHFFFAOYSA-N 0 0 419.859 6.643 50 0 HKAARN Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3ccc(Cl)cc3)c2n1 ZINC000003765456 568868029 /nfs/dbraw/zinc/86/80/29/568868029.db2.gz ZPVANWXMGNAMMA-UHFFFAOYSA-N 0 0 408.958 5.446 50 0 HKAARN Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3cccc(Cl)c3)c2n1 ZINC000003765457 568868001 /nfs/dbraw/zinc/86/80/01/568868001.db2.gz BSROYNFJKKNNBX-UHFFFAOYSA-N 0 0 408.958 5.446 50 0 HKAARN Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3ccccc3Cl)c2n1 ZINC000003765458 568868075 /nfs/dbraw/zinc/86/80/75/568868075.db2.gz VCUXCXKLGDTNAF-UHFFFAOYSA-N 0 0 408.958 5.446 50 0 HKAARN CCn1cc(CC[C@@H](C)NC(=O)N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000003765575 568867909 /nfs/dbraw/zinc/86/79/09/568867909.db2.gz JNTGBVQLTZCVGS-OAQYLSRUSA-N 0 0 411.549 6.530 50 0 HKAARN CCn1cc(CC[C@H](C)NC(=O)N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000003765576 568867803 /nfs/dbraw/zinc/86/78/03/568867803.db2.gz JNTGBVQLTZCVGS-NRFANRHFSA-N 0 0 411.549 6.530 50 0 HKAARN C[C@@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000003765579 568867921 /nfs/dbraw/zinc/86/79/21/568867921.db2.gz BCTKCXLUQOSOMO-IBGZPJMESA-N 0 0 400.497 5.580 50 0 HKAARN C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000003765580 568867868 /nfs/dbraw/zinc/86/78/68/568867868.db2.gz BCTKCXLUQOSOMO-LJQANCHMSA-N 0 0 400.497 5.580 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000003765614 568867835 /nfs/dbraw/zinc/86/78/35/568867835.db2.gz YKJXQGJNRWZOPV-DYESRHJHSA-N 0 0 415.364 6.343 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000003765615 568867792 /nfs/dbraw/zinc/86/77/92/568867792.db2.gz YKJXQGJNRWZOPV-UTKZUKDTSA-N 0 0 415.364 6.343 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000003765616 568867811 /nfs/dbraw/zinc/86/78/11/568867811.db2.gz YKJXQGJNRWZOPV-LAUBAEHRSA-N 0 0 415.364 6.343 50 0 HKAARN COc1cccc(NC(=S)NCC[C@@H]2[C@H](c3c(C)[nH]c4ccccc43)C2(C)C)c1 ZINC000003765642 568867915 /nfs/dbraw/zinc/86/79/15/568867915.db2.gz XXNNSDUGRAXDJZ-DENIHFKCSA-N 0 0 407.583 5.601 50 0 HKAARN COc1cccc(NC(=S)NCC[C@@H]2[C@@H](c3c(C)[nH]c4ccccc43)C2(C)C)c1 ZINC000003765643 568867808 /nfs/dbraw/zinc/86/78/08/568867808.db2.gz XXNNSDUGRAXDJZ-KNQAVFIVSA-N 0 0 407.583 5.601 50 0 HKAARN COc1cccc(NC(=S)NCC[C@H]2[C@H](c3c(C)[nH]c4ccccc43)C2(C)C)c1 ZINC000003765644 568867905 /nfs/dbraw/zinc/86/79/05/568867905.db2.gz XXNNSDUGRAXDJZ-SIKLNZKXSA-N 0 0 407.583 5.601 50 0 HKAARN COc1cccc(NC(=S)NCC[C@H]2[C@@H](c3c(C)[nH]c4ccccc43)C2(C)C)c1 ZINC000003765645 568867858 /nfs/dbraw/zinc/86/78/58/568867858.db2.gz XXNNSDUGRAXDJZ-UGKGYDQZSA-N 0 0 407.583 5.601 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C ZINC000003765652 568867924 /nfs/dbraw/zinc/86/79/24/568867924.db2.gz KFGFLWQLCLUQBL-GHTZIAJQSA-N 0 0 412.002 6.246 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C ZINC000003765653 568867923 /nfs/dbraw/zinc/86/79/23/568867923.db2.gz KFGFLWQLCLUQBL-NQIIRXRSSA-N 0 0 412.002 6.246 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003765702 568867862 /nfs/dbraw/zinc/86/78/62/568867862.db2.gz UPPBVAHYJFWKEZ-UHFFFAOYSA-N 0 0 403.404 6.129 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003765715 568867795 /nfs/dbraw/zinc/86/77/95/568867795.db2.gz XFAGPHBFPFJYGX-UHFFFAOYSA-N 0 0 411.861 6.397 50 0 HKAARN Oc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000003765725 568867841 /nfs/dbraw/zinc/86/78/41/568867841.db2.gz QGQSZGLDZDAIMX-UHFFFAOYSA-N 0 0 421.831 6.041 50 0 HKAARN CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000003765728 568867917 /nfs/dbraw/zinc/86/79/17/568867917.db2.gz NZTCVZQCQNJQEH-UHFFFAOYSA-N 0 0 415.440 6.080 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000003765731 568867806 /nfs/dbraw/zinc/86/78/06/568867806.db2.gz SJPPAHSRLSGFJO-UHFFFAOYSA-N 0 0 411.861 6.397 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000003765741 568867936 /nfs/dbraw/zinc/86/79/36/568867936.db2.gz TXYCRNWFYZNSCP-UHFFFAOYSA-N 0 0 419.859 6.643 50 0 HKAARN CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003765746 568867838 /nfs/dbraw/zinc/86/78/38/568867838.db2.gz LQEHAEIBMAVNQA-UHFFFAOYSA-N 0 0 412.877 5.414 50 0 HKAARN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CNc1ccccc1 ZINC000003765777 568867894 /nfs/dbraw/zinc/86/78/94/568867894.db2.gz QLEJNRACJNTROS-PXLXIMEGSA-N 0 0 416.502 5.372 50 0 HKAARN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003765803 568926068 /nfs/dbraw/zinc/92/60/68/568926068.db2.gz HKAUSOFOALCCLX-AWNIVKPZSA-N 0 0 419.116 6.541 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCC2 ZINC000003766192 557498300 /nfs/dbraw/zinc/49/83/00/557498300.db2.gz LEUUZEJNJFVRMQ-UHFFFAOYSA-N 0 0 421.518 5.848 50 0 HKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1 ZINC000003766585 568868090 /nfs/dbraw/zinc/86/80/90/568868090.db2.gz CKGNAHUNEYQPIZ-HKUYNNGSSA-N 0 0 414.431 5.358 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000003766624 568868048 /nfs/dbraw/zinc/86/80/48/568868048.db2.gz MUPFISJQSOURDP-UHFFFAOYSA-N 0 0 403.404 6.129 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000003766625 568868107 /nfs/dbraw/zinc/86/81/07/568868107.db2.gz DHYMZLRDBPNIMF-UHFFFAOYSA-N 0 0 405.832 6.335 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000003766628 568868042 /nfs/dbraw/zinc/86/80/42/568868042.db2.gz UHFIWKISFQWXMA-UHFFFAOYSA-N 0 0 405.832 6.335 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)cnn21 ZINC000003766640 557498347 /nfs/dbraw/zinc/49/83/47/557498347.db2.gz RJWGMAUOCWRHTP-UHFFFAOYSA-N 0 0 418.216 5.845 50 0 HKAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000003766641 557498330 /nfs/dbraw/zinc/49/83/30/557498330.db2.gz ANHHYTPFZPIDCY-UHFFFAOYSA-N 0 0 422.237 6.697 50 0 HKAARN COc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003766855 557498282 /nfs/dbraw/zinc/49/82/82/557498282.db2.gz OWNAKGOUMUXCLF-UHFFFAOYSA-N 0 0 402.519 5.923 50 0 HKAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CCCC3 ZINC000003767004 568868086 /nfs/dbraw/zinc/86/80/86/568868086.db2.gz JKHKEWJTDNBSFZ-UHFFFAOYSA-N 0 0 424.595 5.174 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Cl ZINC000003768041 568868004 /nfs/dbraw/zinc/86/80/04/568868004.db2.gz RLOXJDYXXICNKK-UHFFFAOYSA-N 0 0 408.335 5.244 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)sc2c1 ZINC000003768319 568868050 /nfs/dbraw/zinc/86/80/50/568868050.db2.gz WQFXHBNZPHVING-UHFFFAOYSA-N 0 0 424.978 6.656 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 ZINC000003768594 568868116 /nfs/dbraw/zinc/86/81/16/568868116.db2.gz VIYJPHNTCBDQEE-BOPFTXTBSA-N 0 0 416.285 6.494 50 0 HKAARN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000003769406 569254747 /nfs/dbraw/zinc/25/47/47/569254747.db2.gz WQJOFTDKGOXWSL-YBFXNURJSA-N 0 0 414.313 6.383 50 0 HKAARN CC(C)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000003769408 557498223 /nfs/dbraw/zinc/49/82/23/557498223.db2.gz CZRSWPNGLGJUJF-VCHYOVAHSA-N 0 0 406.334 6.353 50 0 HKAARN O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000003769471 557498252 /nfs/dbraw/zinc/49/82/52/557498252.db2.gz FTDORVMZNLFNOO-CHHVJCJISA-N 0 0 416.688 6.022 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4Cl)c3)oc2c1 ZINC000003770761 557498290 /nfs/dbraw/zinc/49/82/90/557498290.db2.gz QHDJYNQCOXJLFJ-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 ZINC000003770762 557498248 /nfs/dbraw/zinc/49/82/48/557498248.db2.gz FXAHQYRCLBYBIB-MRXNPFEDSA-N 0 0 400.478 6.269 50 0 HKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 ZINC000003770763 557498294 /nfs/dbraw/zinc/49/82/94/557498294.db2.gz FXAHQYRCLBYBIB-INIZCTEOSA-N 0 0 400.478 6.269 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c(C)c1 ZINC000003770767 557498591 /nfs/dbraw/zinc/49/85/91/557498591.db2.gz RKBSTGXGCZVIFA-UHFFFAOYSA-N 0 0 419.481 5.378 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 ZINC000003770779 557498516 /nfs/dbraw/zinc/49/85/16/557498516.db2.gz QVTNEPMGBAGBKR-UHFFFAOYSA-N 0 0 406.869 5.972 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000003770782 560734232 /nfs/dbraw/zinc/73/42/32/560734232.db2.gz SMNSCQSSLKVGSC-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3C)oc2c(C)c1 ZINC000003770787 557498607 /nfs/dbraw/zinc/49/86/07/557498607.db2.gz UNMKJRUGXSWHBY-UHFFFAOYSA-N 0 0 404.897 6.634 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 ZINC000003770790 557498509 /nfs/dbraw/zinc/49/85/09/557498509.db2.gz RABNROSUDWETLC-UHFFFAOYSA-N 0 0 414.505 6.461 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 ZINC000003770791 557498506 /nfs/dbraw/zinc/49/85/06/557498506.db2.gz NJNPNYUTKWGTLB-UHFFFAOYSA-N 0 0 414.505 6.461 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3C)oc2c(C)c1 ZINC000003770792 557498539 /nfs/dbraw/zinc/49/85/39/557498539.db2.gz VOUFAONHIOXNGJ-UHFFFAOYSA-N 0 0 404.897 6.255 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(Cl)c1 ZINC000003770793 557498548 /nfs/dbraw/zinc/49/85/48/557498548.db2.gz ZRWYYMAAMTZZRQ-UHFFFAOYSA-N 0 0 404.897 6.634 50 0 HKAARN Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1-c1nc2ccccc2o1 ZINC000003770794 557498594 /nfs/dbraw/zinc/49/85/94/557498594.db2.gz JLLOMPKNJZEZGE-UHFFFAOYSA-N 0 0 414.505 6.118 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 ZINC000003770796 557498617 /nfs/dbraw/zinc/49/86/17/557498617.db2.gz NNBCXYWGRAJYNQ-UHFFFAOYSA-N 0 0 400.478 6.234 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 ZINC000003770797 557498536 /nfs/dbraw/zinc/49/85/36/557498536.db2.gz HLEOGMROBPVBNZ-UHFFFAOYSA-N 0 0 400.478 6.234 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000003770804 557498552 /nfs/dbraw/zinc/49/85/52/557498552.db2.gz IKKBMKWBUGHDKP-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)oc2c1 ZINC000003770814 557498620 /nfs/dbraw/zinc/49/86/20/557498620.db2.gz SZRXQMCKHZVVDL-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CCOc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1 ZINC000003770944 568868183 /nfs/dbraw/zinc/86/81/83/568868183.db2.gz HBIZCOIGTAQXEE-MUUNZHRXSA-N 0 0 413.561 6.529 50 0 HKAARN CCOc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1 ZINC000003770945 568868292 /nfs/dbraw/zinc/86/82/92/568868292.db2.gz HBIZCOIGTAQXEE-NDEPHWFRSA-N 0 0 413.561 6.529 50 0 HKAARN COc1cc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)ccc1O ZINC000003770976 568868210 /nfs/dbraw/zinc/86/82/10/568868210.db2.gz XZUDNDGODLAMDJ-SANMLTNESA-N 0 0 421.452 5.842 50 0 HKAARN COc1cc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)ccc1O ZINC000003770977 568868279 /nfs/dbraw/zinc/86/82/79/568868279.db2.gz XZUDNDGODLAMDJ-AREMUKBSSA-N 0 0 421.452 5.842 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003771031 568868295 /nfs/dbraw/zinc/86/82/95/568868295.db2.gz MAHKWRCEBXQXFS-UHFFFAOYSA-N 0 0 414.762 5.086 50 0 HKAARN CCn1c2ccccc2c2cc([C@@H](C)NC(=O)c3cccc(Br)c3)ccc21 ZINC000003771331 568868275 /nfs/dbraw/zinc/86/82/75/568868275.db2.gz JNCSPGFIYLZJMD-OAHLLOKOSA-N 0 0 421.338 6.068 50 0 HKAARN CCn1c2ccccc2c2cc([C@H](C)NC(=O)c3cccc(Br)c3)ccc21 ZINC000003771332 568868300 /nfs/dbraw/zinc/86/83/00/568868300.db2.gz JNCSPGFIYLZJMD-HNNXBMFYSA-N 0 0 421.338 6.068 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C ZINC000003771894 557498578 /nfs/dbraw/zinc/49/85/78/557498578.db2.gz WXJYCPSGFXYOEM-UHFFFAOYSA-N 0 0 417.456 5.510 50 0 HKAARN O=c1oc2ccccc2c2c1[C@@H](c1c[nH]c3ccccc31)Nc1ccc3ccccc3c1-2 ZINC000003772018 568926292 /nfs/dbraw/zinc/92/62/92/568926292.db2.gz FIRJMFPAYZKEPE-HHHXNRCGSA-N 0 0 414.464 6.609 50 0 HKAARN O=c1oc2ccccc2c2c1[C@H](c1c[nH]c3ccccc31)Nc1ccc3ccccc3c1-2 ZINC000003772019 568926366 /nfs/dbraw/zinc/92/63/66/568926366.db2.gz FIRJMFPAYZKEPE-MHZLTWQESA-N 0 0 414.464 6.609 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000003772512 557498555 /nfs/dbraw/zinc/49/85/55/557498555.db2.gz IPOYLCFYDPZNOI-JXOMPUQVSA-N 0 0 408.527 5.648 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 ZINC000003772514 557498615 /nfs/dbraw/zinc/49/86/15/557498615.db2.gz IPOYLCFYDPZNOI-HYSAVQALSA-N 0 0 408.527 5.648 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccccc1-2 ZINC000003772533 557498610 /nfs/dbraw/zinc/49/86/10/557498610.db2.gz RQNSFAJTXJYFHM-HXUWFJFHSA-N 0 0 412.584 6.084 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccccc1-2 ZINC000003772534 557498596 /nfs/dbraw/zinc/49/85/96/557498596.db2.gz RQNSFAJTXJYFHM-FQEVSTJZSA-N 0 0 412.584 6.084 50 0 HKAARN CC(C)CCC(=O)C[C@@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000003775812 557498611 /nfs/dbraw/zinc/49/86/11/557498611.db2.gz HIUPRQPBWVEQJJ-LJQANCHMSA-N 0 0 407.901 5.380 50 0 investigational HKAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000003791929 557498701 /nfs/dbraw/zinc/49/87/01/557498701.db2.gz OTXNTMVVOOBZCV-WAZJVIJMSA-N 0 0 410.642 8.292 50 0 endogenous,in-man HKAARN CCCCCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000003817971 560189732 /nfs/dbraw/zinc/18/97/32/560189732.db2.gz USJFDADYVUDVAX-UHFFFAOYSA-N 0 0 408.760 7.017 50 0 in-vitro HKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003824120 574411974 /nfs/dbraw/zinc/41/19/74/574411974.db2.gz CHGIKSSZNBCNDW-QGBOJXOESA-N 0 0 412.702 8.089 50 0 endogenous,in-man HKAARN CCOC(=O)CCCCCCCC[C@@H](C)c1ccc(I)cc1 ZINC000003830955 557499119 /nfs/dbraw/zinc/49/91/19/557499119.db2.gz LAYLQVBQIBQVLL-MRXNPFEDSA-N 0 0 416.343 6.079 50 0 world HKAARN CCOC(=O)CCCCCCCC[C@H](C)c1ccc(I)cc1 ZINC000003830956 557499136 /nfs/dbraw/zinc/49/91/36/557499136.db2.gz LAYLQVBQIBQVLL-INIZCTEOSA-N 0 0 416.343 6.079 50 0 world HKAARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000003831193 569356778 /nfs/dbraw/zinc/35/67/78/569356778.db2.gz UBWXUGDQUBIEIZ-UDTLMVAYSA-N 0 0 406.566 5.673 50 0 biogenic HKAARN c1c(-c2ccccc2)nn(-c2ccccc2)c1-n1c2ccccc2nc1-c1ccccc1 ZINC000003832727 557499286 /nfs/dbraw/zinc/49/92/86/557499286.db2.gz OYUZBPRCDLXLDP-UHFFFAOYSA-N 0 0 412.496 6.545 50 0 HKAARN CCCCCC1CCC(c2ccc(C(=O)Nc3nc4ccccc4n3C)cc2)CC1 ZINC000003833087 557499242 /nfs/dbraw/zinc/49/92/42/557499242.db2.gz CGKUAYQCAZLTRQ-UHFFFAOYSA-N 0 0 403.570 6.680 50 0 HKAARN CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccccc2)n1 ZINC000003833970 560189955 /nfs/dbraw/zinc/18/99/55/560189955.db2.gz ZFJZXGAFKPFNSG-UHFFFAOYSA-N 0 0 403.313 6.121 50 0 in-vitro HKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000003849760 557500856 /nfs/dbraw/zinc/50/08/56/557500856.db2.gz LMJWBECAVUCCRK-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000003855473 557501372 /nfs/dbraw/zinc/50/13/72/557501372.db2.gz PUSAOXFRVCEIGZ-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN O=C1OC(c2ccc(O)c3ccccc32)(c2ccc(O)c3ccccc32)c2ccccc21 ZINC000003861450 557501370 /nfs/dbraw/zinc/50/13/70/557501370.db2.gz HQHBAGKIEAOSNM-UHFFFAOYSA-N 0 0 418.448 5.867 50 0 HKAARN O=c1nc(CSc2nc3ccccc3s2)[nH]c2scc(-c3ccccc3)c21 ZINC000003867087 568868988 /nfs/dbraw/zinc/86/89/88/568868988.db2.gz SFBAQUVVVBOPOE-UHFFFAOYSA-N 0 0 407.545 5.554 50 0 HKAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C ZINC000003872668 568737250 /nfs/dbraw/zinc/73/72/50/568737250.db2.gz ZPACYDRSPFRDHO-ROBAGEODSA-N 0 0 400.647 8.422 50 0 investigational HKAARN Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000003872945 557501864 /nfs/dbraw/zinc/50/18/64/557501864.db2.gz MPIPASJGOJYODL-SFHVURJKSA-N 0 0 416.135 6.455 50 0 world HKAARN CCCC[C@H](CC)COC(=O)CCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000003875707 557502113 /nfs/dbraw/zinc/50/21/13/557502113.db2.gz ZDWGXBPVPXVXMQ-GOTSBHOMSA-N 0 0 412.655 7.236 50 0 HKAARN CCCC[C@@H](CC)COC(=O)CCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000003875708 557502121 /nfs/dbraw/zinc/50/21/21/557502121.db2.gz ZDWGXBPVPXVXMQ-DHIUTWEWSA-N 0 0 412.655 7.236 50 0 HKAARN Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2 ZINC000003875985 557502083 /nfs/dbraw/zinc/50/20/83/557502083.db2.gz WGVKWNUPNGFDFJ-DQCZWYHMSA-N 0 0 416.690 8.532 50 0 endogenous,in-man HKAARN CCCC[C@H](CC)COP(OC[C@@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000003876038 557502163 /nfs/dbraw/zinc/50/21/63/557502163.db2.gz ILLOBGFGKYTZRO-HJOGWXRNSA-N 0 0 418.643 8.912 50 0 HKAARN CCCC[C@@H](CC)COP(OC[C@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000003876039 557502029 /nfs/dbraw/zinc/50/20/29/557502029.db2.gz ILLOBGFGKYTZRO-SMIHKQSGSA-N 0 0 418.643 8.912 50 0 HKAARN O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000003876431 557502107 /nfs/dbraw/zinc/50/21/07/557502107.db2.gz YBFRETBEHFICDR-XSFVSMFZSA-N 0 0 418.294 5.254 50 0 HKAARN Cn1c(/C=C(/OC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc21 ZINC000003876754 557502014 /nfs/dbraw/zinc/50/20/14/557502014.db2.gz UQLHLBHRCPGDGQ-KGENOOAVSA-N 0 0 423.299 6.235 50 0 HKAARN COc1ccc(CCc2nc(C)ccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003877555 557502153 /nfs/dbraw/zinc/50/21/53/557502153.db2.gz YSCOEEBUFONOTR-UHFFFAOYSA-N 0 0 405.538 5.306 50 0 HKAARN O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc2c(c1)oc1ccccc12 ZINC000003877675 557502160 /nfs/dbraw/zinc/50/21/60/557502160.db2.gz TZEJOWSTCUJPRP-UHFFFAOYSA-N 0 0 421.250 5.014 50 0 HKAARN O=C(Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000003878330 557502455 /nfs/dbraw/zinc/50/24/55/557502455.db2.gz FCUMORAXFCKJQG-UHFFFAOYSA-N 0 0 423.560 6.084 50 0 HKAARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1-c1ccccc1)c(C)n2C ZINC000003879076 557502418 /nfs/dbraw/zinc/50/24/18/557502418.db2.gz BMCYTOOKZOPDJQ-JQIJEIRASA-N 0 0 421.500 5.365 50 0 biogenic HKAARN c1ccc(COc2cccc(C3N(c4ccccc4)CCN3c3ccccc3)c2)cc1 ZINC000003879856 557502450 /nfs/dbraw/zinc/50/24/50/557502450.db2.gz TUWFLLINFSJUJD-UHFFFAOYSA-N 0 0 406.529 6.291 50 0 HKAARN CCOc1ccc(C2(c3ccc(OCC)cc3)c3ccccc3Nc3ccccc32)cc1 ZINC000003880299 568869207 /nfs/dbraw/zinc/86/92/07/568869207.db2.gz NJUYECNLHQQSNI-UHFFFAOYSA-N 0 0 421.540 6.924 50 0 HKAARN CC(C)N(C(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)C(C)C ZINC000003880333 558780302 /nfs/dbraw/zinc/78/03/02/558780302.db2.gz APPHSVFLPYLEFT-UHFFFAOYSA-N 0 0 415.537 5.942 50 0 HKAARN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000003881613 557502361 /nfs/dbraw/zinc/50/23/61/557502361.db2.gz UBWXUGDQUBIEIZ-QNTYDACNSA-N 0 0 406.566 5.673 50 0 world HKAARN Nc1c(Br)cc2oc(-c3ccccc3Cl)nc2c1Br ZINC000003882271 557502519 /nfs/dbraw/zinc/50/25/19/557502519.db2.gz RBBCQIQFEPLZQH-UHFFFAOYSA-N 0 0 402.473 5.255 50 0 HKAARN COc1ccc(CNc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000003882961 557502575 /nfs/dbraw/zinc/50/25/75/557502575.db2.gz PFGJRJIAMRJJFU-UHFFFAOYSA-N 0 0 409.554 6.952 50 0 HKAARN CCOC(=O)c1sc2nc(CSc3ccc(Cl)cc3)nc(Cl)c2c1C ZINC000003886941 557502937 /nfs/dbraw/zinc/50/29/37/557502937.db2.gz QHSHJNYEINIWGG-UHFFFAOYSA-N 0 0 413.351 5.776 50 0 HKAARN Clc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCC3 ZINC000003886943 557502944 /nfs/dbraw/zinc/50/29/44/557502944.db2.gz CXZCLANSATZZHH-UHFFFAOYSA-N 0 0 411.777 5.888 50 0 HKAARN FC(F)(F)c1cccc(SCc2nc3sc4c(c3c(Cl)n2)CCCC4)c1 ZINC000003887565 557502862 /nfs/dbraw/zinc/50/28/62/557502862.db2.gz XCDNOLGAYDIRDK-UHFFFAOYSA-N 0 0 414.905 6.535 50 0 HKAARN COc1ccccc1-n1c(=O)c2c(-c3ccccc3Cl)csc2[nH]c1=S ZINC000003887949 557502869 /nfs/dbraw/zinc/50/28/69/557502869.db2.gz XNLSBZKXGJYEBN-UHFFFAOYSA-N 0 0 400.912 5.439 50 0 HKAARN Cc1c(CO)c2cc(F)ccc2nc1-c1ccc(-c2ccccc2-c2ccccc2)cc1 ZINC000003938199 568871006 /nfs/dbraw/zinc/87/10/06/568871006.db2.gz ODUPDJFSFAGDTN-UHFFFAOYSA-N 0 0 419.499 7.176 50 0 HKAARN O=c1cc(N2CCOCC2)oc2c1cccc2-c1cccc2c3ccccc3sc21 ZINC000003938693 132269293 /nfs/dbraw/zinc/26/92/93/132269293.db2.gz JAMULYFATHSZJM-UHFFFAOYSA-N 0 0 413.498 5.665 50 0 in-vivo HKAARN O=S(=O)(c1ccccc1)n1c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000003947126 568839020 /nfs/dbraw/zinc/83/90/20/568839020.db2.gz YYTYTOFNTZOBJL-UHFFFAOYSA-N 0 0 414.939 5.219 50 0 HKAARN O=C1C(Cl)=C(NC2CCCCCCCCCCC2)C(=O)N1Cc1ccccc1 ZINC000003947318 568929834 /nfs/dbraw/zinc/92/98/34/568929834.db2.gz NLVJPZZLADASEF-UHFFFAOYSA-N 0 0 402.966 5.269 50 0 HKAARN CCOC(=O)c1sc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1C ZINC000003953724 568930116 /nfs/dbraw/zinc/93/01/16/568930116.db2.gz GAUIAZIVSZFVFD-UHFFFAOYSA-N 0 0 419.506 5.499 50 0 HKAARN O=C(CCCCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(Cl)cc1 ZINC000003957245 568930207 /nfs/dbraw/zinc/93/02/07/568930207.db2.gz WJPRVEVCHALTDT-UHFFFAOYSA-N 0 0 420.896 5.288 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000003957249 557503749 /nfs/dbraw/zinc/50/37/49/557503749.db2.gz NZXNUDYKRPYDQS-UHFFFAOYSA-N 0 0 419.568 7.054 50 0 HKAARN O=c1c(-c2ccccc2)c([O-])[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000003958148 557503663 /nfs/dbraw/zinc/50/36/63/557503663.db2.gz ZCBCFVIKPJMAHR-UHFFFAOYSA-O 0 0 417.488 5.154 50 0 HKAARN COc1cc2c(cc1NC(=O)COc1ccccc1C(C)(C)C)oc1ccccc12 ZINC000003959051 557503670 /nfs/dbraw/zinc/50/36/70/557503670.db2.gz BOHXVAPIPBJIBH-UHFFFAOYSA-N 0 0 403.478 5.910 50 0 HKAARN CC(C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000003960712 535372438 /nfs/dbraw/zinc/37/24/38/535372438.db2.gz FTCWKSGDHXCEMZ-NLFFAJNJSA-N 0 0 412.533 5.856 50 0 HKAARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000003982451 569356874 /nfs/dbraw/zinc/35/68/74/569356874.db2.gz KZJWDPNRJALLNS-RBSBQHFOSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000003982452 569356888 /nfs/dbraw/zinc/35/68/88/569356888.db2.gz KZJWDPNRJALLNS-SNXNENMCSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000003982453 557503971 /nfs/dbraw/zinc/50/39/71/557503971.db2.gz KZJWDPNRJALLNS-KLPRJLMXSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000003982454 569356896 /nfs/dbraw/zinc/35/68/96/569356896.db2.gz KZJWDPNRJALLNS-ZGFRWYMBSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CCCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000003985036 568931298 /nfs/dbraw/zinc/93/12/98/568931298.db2.gz LRDKVPGXSKAFMZ-UHFFFAOYSA-N 0 0 410.470 5.223 50 0 biogenic HKAARN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1 ZINC000003996157 557504264 /nfs/dbraw/zinc/50/42/64/557504264.db2.gz MDVLCXJWGYTSRC-BUHFOSPRSA-N 0 0 403.279 5.319 50 0 HKAARN O=C(NC1CCCCC1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000003997529 557504309 /nfs/dbraw/zinc/50/43/09/557504309.db2.gz AFIBNWWWGFJFHW-UHFFFAOYSA-N 0 0 410.602 5.857 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3nc4ccccc4s3)cc2)cc1 ZINC000003997578 568931879 /nfs/dbraw/zinc/93/18/79/568931879.db2.gz JAXDBKFDXOTEFZ-XNTDXEJSSA-N 0 0 406.532 5.576 50 0 HKAARN O=S(=O)(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000003997579 568931849 /nfs/dbraw/zinc/93/18/49/568931849.db2.gz IVXJGKPIKZXXAD-VGOFMYFVSA-N 0 0 410.495 5.407 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)cc1 ZINC000003998028 557504320 /nfs/dbraw/zinc/50/43/20/557504320.db2.gz UIHBMDPNDKTSNP-QHCPKHFHSA-N 0 0 415.949 6.819 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000003998029 557504597 /nfs/dbraw/zinc/50/45/97/557504597.db2.gz UIHBMDPNDKTSNP-HSZRJFAPSA-N 0 0 415.949 6.819 50 0 HKAARN Cn1c2ccccc2c2cc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000003999071 568931788 /nfs/dbraw/zinc/93/17/88/568931788.db2.gz SLJVMWRNYMHJGP-JPDWALJZSA-N 0 0 421.544 5.359 50 0 biogenic HKAARN O=C1O[C@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 ZINC000003999083 568931949 /nfs/dbraw/zinc/93/19/49/568931949.db2.gz JQKXIOGQANFJIF-ICLSSZMYSA-N 0 0 422.528 6.016 50 0 biogenic HKAARN O=C1O[C@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 ZINC000003999084 568931770 /nfs/dbraw/zinc/93/17/70/568931770.db2.gz JQKXIOGQANFJIF-BWLGUYNBSA-N 0 0 422.528 6.016 50 0 biogenic HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000003999119 568931951 /nfs/dbraw/zinc/93/19/51/568931951.db2.gz VCIWUKDDAJEZBS-FMGHJNRGSA-N 0 0 408.545 6.652 50 0 biogenic HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000003999166 568931808 /nfs/dbraw/zinc/93/18/08/568931808.db2.gz HGGPYRPVMWSYOB-NYULUDCUSA-N 0 0 409.529 6.619 50 0 biogenic HKAARN COC(=O)c1ccc(NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000003999720 568932069 /nfs/dbraw/zinc/93/20/69/568932069.db2.gz AHIRJGHITASXFV-UHFFFAOYSA-N 0 0 406.463 5.190 50 0 biogenic HKAARN COc1cc2c(cc1NC(=O)N1CCCC[C@H]1c1cccnc1)oc1ccccc12 ZINC000003999755 568932133 /nfs/dbraw/zinc/93/21/33/568932133.db2.gz CIRRHFCOGSZELD-FQEVSTJZSA-N 0 0 401.466 5.749 50 0 biogenic HKAARN CCCCCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000003999931 568932078 /nfs/dbraw/zinc/93/20/78/568932078.db2.gz JYGKOMQEUOILDF-ZOGILVBSSA-N 0 0 404.554 5.283 50 0 biogenic HKAARN CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000003999933 568931994 /nfs/dbraw/zinc/93/19/94/568931994.db2.gz AMBNKPHHGMYOMP-DSDNZOFKSA-N 0 0 404.554 5.283 50 0 biogenic HKAARN CCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000003999981 568931985 /nfs/dbraw/zinc/93/19/85/568931985.db2.gz IEFRVMKLIFGNMU-FPBAGDOUSA-N 0 0 404.554 5.283 50 0 biogenic HKAARN CCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000004000143 568932035 /nfs/dbraw/zinc/93/20/35/568932035.db2.gz GDONGIREUSQSKL-PUESRJFGSA-N 0 0 404.554 5.201 50 0 biogenic HKAARN CCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 ZINC000004000166 568932009 /nfs/dbraw/zinc/93/20/09/568932009.db2.gz FVYTTZZSSMMPNF-RFYAYMHSSA-N 0 0 418.581 5.591 50 0 biogenic HKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 ZINC000004000213 568932025 /nfs/dbraw/zinc/93/20/25/568932025.db2.gz RROWJIDBOKEPEV-RRMBJHDJSA-N 0 0 408.545 5.689 50 0 biogenic HKAARN O=C(CC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)Nc1ccccc1 ZINC000004001899 568932718 /nfs/dbraw/zinc/93/27/18/568932718.db2.gz YKEMTNUXEAPIBQ-UHFFFAOYSA-N 0 0 406.294 5.405 50 0 HKAARN FC(F)(F)c1cnc(-c2nnc3c(Cl)cc(C(F)(F)F)cn32)c(Cl)c1 ZINC000004002065 568932582 /nfs/dbraw/zinc/93/25/82/568932582.db2.gz DEZGMKKACGXLCR-UHFFFAOYSA-N 0 0 401.097 5.136 50 0 HKAARN O=[S@](Cc1ccccc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004002095 568932585 /nfs/dbraw/zinc/93/25/85/568932585.db2.gz GJYABQOTGJEBQU-SANMLTNESA-N 0 0 405.346 5.178 50 0 HKAARN CCCCO[C@H]1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 ZINC000004002186 568932774 /nfs/dbraw/zinc/93/27/74/568932774.db2.gz RPCZNVKVMRSVEY-DENIHFKCSA-N 0 0 405.922 5.379 50 0 HKAARN CCCCO[C@@H]1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 ZINC000004002187 568932783 /nfs/dbraw/zinc/93/27/83/568932783.db2.gz RPCZNVKVMRSVEY-UGKGYDQZSA-N 0 0 405.922 5.379 50 0 HKAARN CCCCO[C@H]1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 ZINC000004002188 568932814 /nfs/dbraw/zinc/93/28/14/568932814.db2.gz RPCZNVKVMRSVEY-SIKLNZKXSA-N 0 0 405.922 5.379 50 0 HKAARN FC(F)(F)c1cccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000004002574 568932824 /nfs/dbraw/zinc/93/28/24/568932824.db2.gz JRZVCVCCYKZXPM-JLHYYAGUSA-N 0 0 412.842 6.927 50 0 HKAARN Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004002575 568932877 /nfs/dbraw/zinc/93/28/77/568932877.db2.gz KCTRIFDAUQLPMB-XYOKQWHBSA-N 0 0 413.735 7.215 50 0 HKAARN Clc1ccc(/C=C/c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)cc1 ZINC000004002577 568932839 /nfs/dbraw/zinc/93/28/39/568932839.db2.gz JXVHBBABVSINPS-KPKJPENVSA-N 0 0 413.735 7.215 50 0 HKAARN CC(C)(C)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000004002578 568932777 /nfs/dbraw/zinc/93/27/77/568932777.db2.gz IZIHJFWEDHMHPZ-SFQUDFHCSA-N 0 0 400.953 7.206 50 0 HKAARN Clc1cccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000004002707 568932842 /nfs/dbraw/zinc/93/28/42/568932842.db2.gz BUHICRIJXKLBQD-PKNBQFBNSA-N 0 0 413.735 7.215 50 0 HKAARN CC(C)(C)c1ccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004002813 568932875 /nfs/dbraw/zinc/93/28/75/568932875.db2.gz RFEGLJAASWLGPD-SAPNQHFASA-N 0 0 400.953 7.206 50 0 HKAARN Clc1ccccc1/C=C/c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000004002817 568932840 /nfs/dbraw/zinc/93/28/40/568932840.db2.gz JUTJUUIMNXKFKD-OUKQBFOZSA-N 0 0 413.735 7.215 50 0 HKAARN Clc1ccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)c(Cl)c1 ZINC000004002820 568932809 /nfs/dbraw/zinc/93/28/09/568932809.db2.gz OSTKDGIJIUIWIN-ZRDIBKRKSA-N 0 0 413.735 7.215 50 0 HKAARN CCCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000004003235 568932798 /nfs/dbraw/zinc/93/27/98/568932798.db2.gz YLQCSJJTCFYROC-UHFFFAOYSA-N 0 0 402.538 7.059 50 0 HKAARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004006753 558780284 /nfs/dbraw/zinc/78/02/84/558780284.db2.gz YYJQALYDDZZWSF-OBANJASRSA-N 0 0 400.603 5.335 50 0 HKAARN Cc1ccc(C)c(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)c1 ZINC000004010034 569279464 /nfs/dbraw/zinc/27/94/64/569279464.db2.gz GKBIUDGDAWBJMW-VWLOTQADSA-N 0 0 409.558 6.783 50 0 HKAARN Cc1ccc(C)c(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)c1 ZINC000004010035 569279499 /nfs/dbraw/zinc/27/94/99/569279499.db2.gz GKBIUDGDAWBJMW-RUZDIDTESA-N 0 0 409.558 6.783 50 0 HKAARN Fc1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccs2)c(F)c1 ZINC000004010540 557505073 /nfs/dbraw/zinc/50/50/73/557505073.db2.gz ARXBGQUOKCNDGP-SFHVURJKSA-N 0 0 419.294 6.145 50 0 HKAARN Fc1ccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)c(F)c1 ZINC000004010541 557505036 /nfs/dbraw/zinc/50/50/36/557505036.db2.gz ARXBGQUOKCNDGP-GOSISDBHSA-N 0 0 419.294 6.145 50 0 HKAARN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3cccs3)C2)cc1 ZINC000004010605 557505121 /nfs/dbraw/zinc/50/51/21/557505121.db2.gz AZKQSBIHAVNHMM-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1 ZINC000004010606 557505044 /nfs/dbraw/zinc/50/50/44/557505044.db2.gz AZKQSBIHAVNHMM-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN Fc1ccc(N2C[C@H](c3ccc(Cl)cc3Cl)C(c3cccs3)=N2)c(F)c1 ZINC000004010719 569255328 /nfs/dbraw/zinc/25/53/28/569255328.db2.gz YJQJPOBEKGBNPN-CQSZACIVSA-N 0 0 409.288 6.341 50 0 HKAARN Fc1ccc(N2C[C@@H](c3ccc(Cl)cc3Cl)C(c3cccs3)=N2)c(F)c1 ZINC000004010720 569255319 /nfs/dbraw/zinc/25/53/19/569255319.db2.gz YJQJPOBEKGBNPN-AWEZNQCLSA-N 0 0 409.288 6.341 50 0 HKAARN Clc1ccc(N2C[C@H](c3ccc(Cl)cc3Cl)C(c3cccs3)=N2)cc1 ZINC000004010721 557505057 /nfs/dbraw/zinc/50/50/57/557505057.db2.gz QORIIKSYCJRTGM-MRXNPFEDSA-N 0 0 407.753 6.716 50 0 HKAARN Clc1ccc(N2C[C@@H](c3ccc(Cl)cc3Cl)C(c3cccs3)=N2)cc1 ZINC000004010722 557505024 /nfs/dbraw/zinc/50/50/24/557505024.db2.gz QORIIKSYCJRTGM-INIZCTEOSA-N 0 0 407.753 6.716 50 0 HKAARN COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004011345 557505061 /nfs/dbraw/zinc/50/50/61/557505061.db2.gz BUWHKYXVZSWQFM-NRFANRHFSA-N 0 0 415.295 6.497 50 0 HKAARN COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004011346 557505041 /nfs/dbraw/zinc/50/50/41/557505041.db2.gz BUWHKYXVZSWQFM-OAQYLSRUSA-N 0 0 415.295 6.497 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)c(OC)c1 ZINC000004011965 568933442 /nfs/dbraw/zinc/93/34/42/568933442.db2.gz GWSVNZFGUZUIRX-QFIPXVFZSA-N 0 0 410.876 5.852 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)c(OC)c1 ZINC000004011966 568933326 /nfs/dbraw/zinc/93/33/26/568933326.db2.gz GWSVNZFGUZUIRX-JOCHJYFZSA-N 0 0 410.876 5.852 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2cccc(F)c2)[C@H](c2ccccc2OC)C1 ZINC000004012040 557505017 /nfs/dbraw/zinc/50/50/17/557505017.db2.gz GZEMMVNXFWHJMR-NSFRLNINSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2cccc(F)c2)[C@@H](c2ccccc2OC)C1 ZINC000004012042 557505067 /nfs/dbraw/zinc/50/50/67/557505067.db2.gz GZEMMVNXFWHJMR-WOOPDLCSSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2cccc(Cl)c2)[C@H](c2ccccc2OC)C1 ZINC000004012493 560597190 /nfs/dbraw/zinc/59/71/90/560597190.db2.gz UDCXAASAEZUJPD-NSFRLNINSA-N 0 0 418.924 6.378 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2cccc(Cl)c2)[C@@H](c2ccccc2OC)C1 ZINC000004012495 560597183 /nfs/dbraw/zinc/59/71/83/560597183.db2.gz UDCXAASAEZUJPD-WOOPDLCSSA-N 0 0 418.924 6.378 50 0 HKAARN COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000004012747 569279483 /nfs/dbraw/zinc/27/94/83/569279483.db2.gz FGPXTDUXBVIMKZ-NRFANRHFSA-N 0 0 407.311 5.813 50 0 HKAARN COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000004012748 569279471 /nfs/dbraw/zinc/27/94/71/569279471.db2.gz FGPXTDUXBVIMKZ-OAQYLSRUSA-N 0 0 407.311 5.813 50 0 HKAARN Clc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000004012757 569279461 /nfs/dbraw/zinc/27/94/61/569279461.db2.gz LIFRXKKMRXHJFC-NRFANRHFSA-N 0 0 411.730 6.458 50 0 HKAARN Clc1ccccc1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000004012758 569279502 /nfs/dbraw/zinc/27/95/02/569279502.db2.gz LIFRXKKMRXHJFC-OAQYLSRUSA-N 0 0 411.730 6.458 50 0 HKAARN CCCCOC(=O)NC(=O)N(c1ccc(C)cc1)P(=O)(OC(C)C)OC(C)C ZINC000004013231 568933465 /nfs/dbraw/zinc/93/34/65/568933465.db2.gz KBRGDNVLDCKKMF-UHFFFAOYSA-N 0 0 414.439 5.406 50 0 HKAARN CNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 ZINC000004013236 568933398 /nfs/dbraw/zinc/93/33/98/568933398.db2.gz QUGIPUSDWFCMAB-UHFFFAOYSA-N 0 0 405.951 5.895 50 0 HKAARN FC(F)(F)c1cc(CSc2nnc(-c3ccccc3)o2)cc(C(F)(F)F)c1 ZINC000004013954 568933621 /nfs/dbraw/zinc/93/36/21/568933621.db2.gz QNLVMMATTDSKRY-UHFFFAOYSA-N 0 0 404.335 6.067 50 0 HKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Sc1ccc(C)cc1C ZINC000004014185 568933557 /nfs/dbraw/zinc/93/35/57/568933557.db2.gz BMGZDHKZPXDXSP-UHFFFAOYSA-N 0 0 405.441 6.198 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000004014447 568933633 /nfs/dbraw/zinc/93/36/33/568933633.db2.gz LTDKYMJNUDWKSQ-UHFFFAOYSA-N 0 0 408.210 6.389 50 0 HKAARN Cc1nc2cc(-c3ccc(Cl)c(Cl)c3)nn2c(C)c1Cc1cccc(F)c1 ZINC000004014702 568933541 /nfs/dbraw/zinc/93/35/41/568933541.db2.gz OOFYALGHWIZFHH-UHFFFAOYSA-N 0 0 400.284 6.050 50 0 HKAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C1c3ccccc3C2c2ccccc21 ZINC000004015930 557505388 /nfs/dbraw/zinc/50/53/88/557505388.db2.gz MYDDZXCNLUMKFM-HDLCADABSA-N 0 0 401.465 5.236 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)C1c3ccccc3C2c2ccccc21 ZINC000004015931 557505255 /nfs/dbraw/zinc/50/52/55/557505255.db2.gz MYDDZXCNLUMKFM-CVQXOBEKSA-N 0 0 401.465 5.236 50 0 HKAARN c1ccc(C(c2nnc(C(c3ccccc3)c3ccccc3)o2)c2ccccc2)cc1 ZINC000004016277 557505395 /nfs/dbraw/zinc/50/53/95/557505395.db2.gz IEIUISFCEJYSOW-UHFFFAOYSA-N 0 0 402.497 6.430 50 0 HKAARN CCC(C)(C)c1ccc(OCCCCNP(=O)(OC)OC)c(C(C)(C)CC)c1 ZINC000004017954 568933723 /nfs/dbraw/zinc/93/37/23/568933723.db2.gz WOQGWVKOZCCVMN-UHFFFAOYSA-N 0 0 413.539 6.211 50 0 HKAARN C[C@@H]1C[C@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 ZINC000004018046 557505267 /nfs/dbraw/zinc/50/52/67/557505267.db2.gz HJMYOEFFGHWXHF-QDPGVEIFSA-N 0 0 420.560 6.567 50 0 HKAARN C[C@H]1C[C@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 ZINC000004018047 557505577 /nfs/dbraw/zinc/50/55/77/557505577.db2.gz HJMYOEFFGHWXHF-NEKDWFFYSA-N 0 0 420.560 6.567 50 0 HKAARN C[C@H]1C[C@@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 ZINC000004018048 557505572 /nfs/dbraw/zinc/50/55/72/557505572.db2.gz HJMYOEFFGHWXHF-FIPFOOKPSA-N 0 0 420.560 6.567 50 0 HKAARN CCCC1CCC(c2ccc(-c3noc(-c4ccc(OC(F)F)cc4)n3)cc2)CC1 ZINC000004020408 568933745 /nfs/dbraw/zinc/93/37/45/568933745.db2.gz MNEYEHPRJKZQRM-UHFFFAOYSA-N 0 0 412.480 7.079 50 0 HKAARN COc1ccccc1[C@@H]1CN(c2ccc(Br)cc2)N=C1c1cccs1 ZINC000004020592 557505505 /nfs/dbraw/zinc/50/55/05/557505505.db2.gz SZUPXJIIMJEMDP-KRWDZBQOSA-N 0 0 413.340 5.527 50 0 HKAARN COc1ccccc1[C@H]1CN(c2ccc(Br)cc2)N=C1c1cccs1 ZINC000004020593 557505512 /nfs/dbraw/zinc/50/55/12/557505512.db2.gz SZUPXJIIMJEMDP-QGZVFWFLSA-N 0 0 413.340 5.527 50 0 HKAARN FC(F)(F)c1ccc(Cl)c(N2C[C@@H](c3ccccc3)C(c3cccs3)=N2)c1 ZINC000004020674 557505647 /nfs/dbraw/zinc/50/56/47/557505647.db2.gz BNCRJGJDICQYCQ-HNNXBMFYSA-N 0 0 406.860 6.428 50 0 HKAARN FC(F)(F)c1ccc(Cl)c(N2C[C@H](c3ccccc3)C(c3cccs3)=N2)c1 ZINC000004020675 557505555 /nfs/dbraw/zinc/50/55/55/557505555.db2.gz BNCRJGJDICQYCQ-OAHLLOKOSA-N 0 0 406.860 6.428 50 0 HKAARN COc1cccc([C@@H]2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC ZINC000004020701 568933865 /nfs/dbraw/zinc/93/38/65/568933865.db2.gz SNKVZFKUZRZTKU-HNNXBMFYSA-N 0 0 400.450 5.052 50 0 aggregator HKAARN COc1cccc([C@H]2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC ZINC000004020702 568933926 /nfs/dbraw/zinc/93/39/26/568933926.db2.gz SNKVZFKUZRZTKU-OAHLLOKOSA-N 0 0 400.450 5.052 50 0 aggregator HKAARN COCCOc1cc(-n2ccnc2SCc2ccccc2)c(Cl)cc1Cl ZINC000004024064 568877981 /nfs/dbraw/zinc/87/79/81/568877981.db2.gz GIYYBAUOTSDCDT-UHFFFAOYSA-N 0 0 409.338 5.497 50 0 HKAARN Clc1ccc(COn2c3ccccc3nc2-c2ccccc2Cl)c(Cl)c1 ZINC000004024273 568877936 /nfs/dbraw/zinc/87/79/36/568877936.db2.gz SZWXALGZIVGUCP-UHFFFAOYSA-N 0 0 403.696 6.292 50 0 HKAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004024368 568877952 /nfs/dbraw/zinc/87/79/52/568877952.db2.gz QAUWKRBHRKSCQO-CIPHDHMHSA-N 0 0 418.643 5.350 50 0 biogenic HKAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004024370 568877934 /nfs/dbraw/zinc/87/79/34/568877934.db2.gz QAUWKRBHRKSCQO-YDEHCHDGSA-N 0 0 418.643 5.350 50 0 biogenic HKAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004024371 568877972 /nfs/dbraw/zinc/87/79/72/568877972.db2.gz QAUWKRBHRKSCQO-OPCJHPJGSA-N 0 0 418.643 5.350 50 0 biogenic HKAARN CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004024372 568877973 /nfs/dbraw/zinc/87/79/73/568877973.db2.gz QAUWKRBHRKSCQO-BWNQIZJUSA-N 0 0 418.643 5.350 50 0 biogenic HKAARN COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Br)cc1 ZINC000004024760 568933864 /nfs/dbraw/zinc/93/38/64/568933864.db2.gz WKNBHWGFKLTTQB-UHFFFAOYSA-N 0 0 405.601 5.445 50 0 HKAARN Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)c(Cl)c1 ZINC000004024885 557505774 /nfs/dbraw/zinc/50/57/74/557505774.db2.gz AYOVKZSYAFGASJ-UHFFFAOYSA-N 0 0 404.684 5.687 50 0 HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004025005 568933916 /nfs/dbraw/zinc/93/39/16/568933916.db2.gz XGZQDBRFMPJPBO-DUAVJIPNSA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004025007 568933954 /nfs/dbraw/zinc/93/39/54/568933954.db2.gz XGZQDBRFMPJPBO-VANMJNHGSA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004025924 568878191 /nfs/dbraw/zinc/87/81/91/568878191.db2.gz FSFRMGYTTNBARV-JQECKAHISA-N 0 0 420.505 5.178 50 0 biogenic HKAARN CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004025926 568878151 /nfs/dbraw/zinc/87/81/51/568878151.db2.gz FSFRMGYTTNBARV-MTNSXBBWSA-N 0 0 420.505 5.178 50 0 biogenic HKAARN CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000004026661 568878133 /nfs/dbraw/zinc/87/81/33/568878133.db2.gz XELGSXZQIKSUPR-JZSDKHIZSA-N 0 0 419.565 6.101 50 0 biogenic HKAARN CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000004026662 568878106 /nfs/dbraw/zinc/87/81/06/568878106.db2.gz XELGSXZQIKSUPR-AHTOKMNESA-N 0 0 419.565 6.101 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004027017 568878194 /nfs/dbraw/zinc/87/81/94/568878194.db2.gz ORVCDMJZVJGXJV-LOSJGSFVSA-N 0 0 407.598 5.879 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004027018 568878168 /nfs/dbraw/zinc/87/81/68/568878168.db2.gz ORVCDMJZVJGXJV-JWQCQUIFSA-N 0 0 407.598 5.879 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004027019 568878064 /nfs/dbraw/zinc/87/80/64/568878064.db2.gz ORVCDMJZVJGXJV-DQEYMECFSA-N 0 0 407.598 5.879 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004027020 568878115 /nfs/dbraw/zinc/87/81/15/568878115.db2.gz ORVCDMJZVJGXJV-RPBOFIJWSA-N 0 0 407.598 5.879 50 0 biogenic HKAARN COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4ccccc4cc(O)c3O2)cc1 ZINC000004027383 568878372 /nfs/dbraw/zinc/87/83/72/568878372.db2.gz JQBDTKJYSLDLSV-UHFFFAOYSA-N 0 0 410.469 5.912 50 0 biogenic HKAARN CCOc1ccc(/N=c2\cc(-c3cccs3)cc(OCC)c3c(C)oc(C)c32)cc1 ZINC000004027835 568878325 /nfs/dbraw/zinc/87/83/25/568878325.db2.gz WQFHRSFRTFTNTI-YYADALCUSA-N 0 0 419.546 6.808 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000004027876 569060773 /nfs/dbraw/zinc/06/07/73/569060773.db2.gz AKAMYEOOALBFQV-FTBPSBKWSA-N 0 0 407.598 6.365 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000004027878 569060804 /nfs/dbraw/zinc/06/08/04/569060804.db2.gz AKAMYEOOALBFQV-GVXSCFBNSA-N 0 0 407.598 6.365 50 0 biogenic HKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccco1 ZINC000004027985 568934063 /nfs/dbraw/zinc/93/40/63/568934063.db2.gz VPMDEJHHEPSXQO-DXJYLSMCSA-N 0 0 417.590 5.329 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004028092 568934104 /nfs/dbraw/zinc/93/41/04/568934104.db2.gz NUYXBMLFCDKLOB-RPBOFIJWSA-N 0 0 407.598 6.113 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004028093 568934148 /nfs/dbraw/zinc/93/41/48/568934148.db2.gz NUYXBMLFCDKLOB-JWQCQUIFSA-N 0 0 407.598 6.113 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004028094 568934025 /nfs/dbraw/zinc/93/40/25/568934025.db2.gz NUYXBMLFCDKLOB-DQEYMECFSA-N 0 0 407.598 6.113 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000004028095 568934039 /nfs/dbraw/zinc/93/40/39/568934039.db2.gz NUYXBMLFCDKLOB-LOSJGSFVSA-N 0 0 407.598 6.113 50 0 biogenic HKAARN CC[C@]1(C)C[C@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000004028183 568934018 /nfs/dbraw/zinc/93/40/18/568934018.db2.gz SJNCWJQRIMYGPD-FXVJXKIMSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CC[C@]1(C)C[C@@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000004028185 568934009 /nfs/dbraw/zinc/93/40/09/568934009.db2.gz SJNCWJQRIMYGPD-DOEKTCAHSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(OC)cc1)CCC3 ZINC000004028546 569060769 /nfs/dbraw/zinc/06/07/69/569060769.db2.gz UBQTZFZRFHWQHO-UHFFFAOYSA-N 0 0 406.522 5.992 50 0 biogenic HKAARN CCCCCCc1c(C)c2cc3c(-c4ccc(OC)cc4)coc3c(C)c2oc1=O ZINC000004028565 568934057 /nfs/dbraw/zinc/93/40/57/568934057.db2.gz LHOHOPBGFGVXDA-UHFFFAOYSA-N 0 0 404.506 6.954 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(OC(C)C)cc1 ZINC000004028856 568934264 /nfs/dbraw/zinc/93/42/64/568934264.db2.gz HWMUEILJSOTNTQ-VWLOTQADSA-N 0 0 419.565 6.336 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccc(C)cc1)Cc1ccc(OC(C)C)cc1 ZINC000004028857 568934359 /nfs/dbraw/zinc/93/43/59/568934359.db2.gz HWMUEILJSOTNTQ-RUZDIDTESA-N 0 0 419.565 6.336 50 0 biogenic HKAARN Cc1cccc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1 ZINC000004029157 557505861 /nfs/dbraw/zinc/50/58/61/557505861.db2.gz FFCQWYMGRYINBO-UHFFFAOYSA-N 0 0 416.429 5.016 50 0 biogenic HKAARN COc1ccc(-c2coc3c2cc2c(C)c(Cc4ccccc4)c(=O)oc2c3C)cc1 ZINC000004029357 568934288 /nfs/dbraw/zinc/93/42/88/568934288.db2.gz RZCXPQYSNGNJFR-UHFFFAOYSA-N 0 0 410.469 6.422 50 0 biogenic HKAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(O)c2C(=O)O1 ZINC000004029671 568934376 /nfs/dbraw/zinc/93/43/76/568934376.db2.gz XGARDKDPHAIINK-VQANOXKBSA-N 0 0 408.494 5.453 50 0 HKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)C[C@@H]1CCOC(C)(C)C1 ZINC000004029693 568934493 /nfs/dbraw/zinc/93/44/93/568934493.db2.gz GKDKSIREVZNNIU-RLWLMLJZSA-N 0 0 415.618 5.347 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)C[C@@H]1CCOC(C)(C)C1 ZINC000004029694 568934447 /nfs/dbraw/zinc/93/44/47/568934447.db2.gz GKDKSIREVZNNIU-QFQXNSOFSA-N 0 0 415.618 5.347 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)C[C@H]1CCOC(C)(C)C1 ZINC000004029695 568934465 /nfs/dbraw/zinc/93/44/65/568934465.db2.gz GKDKSIREVZNNIU-LVXARBLLSA-N 0 0 415.618 5.347 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)C[C@H]1CCOC(C)(C)C1 ZINC000004029696 568934470 /nfs/dbraw/zinc/93/44/70/568934470.db2.gz GKDKSIREVZNNIU-HFZDXXHNSA-N 0 0 415.618 5.347 50 0 biogenic HKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000004029942 568934435 /nfs/dbraw/zinc/93/44/35/568934435.db2.gz AJCTUOVVUOISQR-CVDCTZTESA-N 0 0 412.917 5.177 50 0 biogenic HKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000004029943 568934382 /nfs/dbraw/zinc/93/43/82/568934382.db2.gz AJCTUOVVUOISQR-WMZHIEFXSA-N 0 0 412.917 5.177 50 0 biogenic HKAARN CCOCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004030201 557506102 /nfs/dbraw/zinc/50/61/02/557506102.db2.gz AVXULQZSPUSULE-BBDZFPCASA-N 0 0 404.554 5.140 50 0 HKAARN CCOCCCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004030202 557506024 /nfs/dbraw/zinc/50/60/24/557506024.db2.gz AVXULQZSPUSULE-KPSKLQJESA-N 0 0 404.554 5.140 50 0 HKAARN O=C(NCc1cccnc1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2 ZINC000004030208 557506035 /nfs/dbraw/zinc/50/60/35/557506035.db2.gz HSJXOMZEPTVVQC-MBCOQLRTSA-N 0 0 409.533 5.308 50 0 HKAARN O=C(NCc1cccnc1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000004030209 557506165 /nfs/dbraw/zinc/50/61/65/557506165.db2.gz HSJXOMZEPTVVQC-JNNPWNNUSA-N 0 0 409.533 5.308 50 0 HKAARN O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000004030210 557506041 /nfs/dbraw/zinc/50/60/41/557506041.db2.gz HSJXOMZEPTVVQC-ZCWCFBJKSA-N 0 0 409.533 5.308 50 0 HKAARN O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004030211 557506088 /nfs/dbraw/zinc/50/60/88/557506088.db2.gz HSJXOMZEPTVVQC-BPTGPBLASA-N 0 0 409.533 5.308 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2ccc(F)cc2)[C@H](c2ccccc2OC)C1 ZINC000004031049 557506126 /nfs/dbraw/zinc/50/61/26/557506126.db2.gz OAXNEMNVKLNYMF-UDFXALJUSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccccc1/C=C/C1=NN(c2ccc(F)cc2)[C@@H](c2ccccc2OC)C1 ZINC000004031051 557506108 /nfs/dbraw/zinc/50/61/08/557506108.db2.gz OAXNEMNVKLNYMF-RBNVVWFDSA-N 0 0 402.469 5.864 50 0 HKAARN Fc1ccc(N2N=C(/C=C/c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000004031146 557506083 /nfs/dbraw/zinc/50/60/83/557506083.db2.gz YSUFTJSNIQYOSA-JVSHPESMSA-N 0 0 411.307 7.153 50 0 HKAARN Fc1ccc(N2N=C(/C=C/c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004031148 557506005 /nfs/dbraw/zinc/50/60/05/557506005.db2.gz YSUFTJSNIQYOSA-SAZGEIKLSA-N 0 0 411.307 7.153 50 0 HKAARN FC(F)(F)c1ccccc1[C@@H]1CC(c2cccs2)=NN1c1cccc(Cl)c1 ZINC000004031208 557506078 /nfs/dbraw/zinc/50/60/78/557506078.db2.gz HRUQSFJSFXCZNI-SFHVURJKSA-N 0 0 406.860 6.776 50 0 HKAARN FC(F)(F)c1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Cl)c1 ZINC000004031209 557506073 /nfs/dbraw/zinc/50/60/73/557506073.db2.gz HRUQSFJSFXCZNI-GOSISDBHSA-N 0 0 406.860 6.776 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000004031454 568934683 /nfs/dbraw/zinc/93/46/83/568934683.db2.gz SYLVIMOHFMGRNP-UHFFFAOYSA-N 0 0 408.567 6.539 50 0 HKAARN CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000004031541 568934597 /nfs/dbraw/zinc/93/45/97/568934597.db2.gz OUCNYUNRBZOMSK-UHFFFAOYSA-N 0 0 400.503 6.128 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000004031552 568934619 /nfs/dbraw/zinc/93/46/19/568934619.db2.gz FVBXGDDEKHWGFK-UHFFFAOYSA-N 0 0 402.475 5.863 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 ZINC000004031553 568934662 /nfs/dbraw/zinc/93/46/62/568934662.db2.gz SCJBOJMNBCGZEX-UHFFFAOYSA-N 0 0 416.502 6.253 50 0 HKAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004031556 557506279 /nfs/dbraw/zinc/50/62/79/557506279.db2.gz RRFPUVAPFVXBEI-UHFFFAOYSA-N 0 0 408.482 5.933 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000004031565 568934623 /nfs/dbraw/zinc/93/46/23/568934623.db2.gz LXZCPWCTLSFZIN-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN Cc1nc2ccc3nc(NC(=O)c4ccc(Br)cc4)sc3c2s1 ZINC000004031616 568934626 /nfs/dbraw/zinc/93/46/26/568934626.db2.gz KDDIMZNTFKHCMJ-UHFFFAOYSA-N 0 0 404.314 5.229 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3nc(C)sc3c2s1 ZINC000004031623 568934705 /nfs/dbraw/zinc/93/47/05/568934705.db2.gz QUCVUHQZXMDBBO-UHFFFAOYSA-N 0 0 405.504 5.629 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000004031627 568934688 /nfs/dbraw/zinc/93/46/88/568934688.db2.gz IPPHGLHLBTUNAT-UHFFFAOYSA-N 0 0 402.519 6.149 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004031630 568934595 /nfs/dbraw/zinc/93/45/95/568934595.db2.gz AQJYPYZHTZHUJQ-UHFFFAOYSA-N 0 0 415.876 5.985 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004031652 568934592 /nfs/dbraw/zinc/93/45/92/568934592.db2.gz YPSKUPRMCQBIAT-UHFFFAOYSA-N 0 0 411.888 6.490 50 0 HKAARN CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 ZINC000004031739 568934736 /nfs/dbraw/zinc/93/47/36/568934736.db2.gz ACWPLRMTUOBOBY-UHFFFAOYSA-N 0 0 410.539 5.142 50 0 HKAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004031745 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/nfs/dbraw/zinc/93/51/93/568935193.db2.gz GWDYIVBVHIMSBR-HSZRJFAPSA-N 0 0 409.533 5.185 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CN1Cc1ccccc1 ZINC000004033516 568935127 /nfs/dbraw/zinc/93/51/27/568935127.db2.gz GWDYIVBVHIMSBR-QHCPKHFHSA-N 0 0 409.533 5.185 50 0 HKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000004033535 568935136 /nfs/dbraw/zinc/93/51/36/568935136.db2.gz OQRBWGHQXSZPJE-JOCHJYFZSA-N 0 0 409.533 5.416 50 0 HKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000004033536 568935139 /nfs/dbraw/zinc/93/51/39/568935139.db2.gz OQRBWGHQXSZPJE-QFIPXVFZSA-N 0 0 409.533 5.416 50 0 HKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000004033539 568935270 /nfs/dbraw/zinc/93/52/70/568935270.db2.gz HNBFGJPNCJMGLW-HXUWFJFHSA-N 0 0 413.496 5.361 50 0 HKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000004033540 568935240 /nfs/dbraw/zinc/93/52/40/568935240.db2.gz HNBFGJPNCJMGLW-FQEVSTJZSA-N 0 0 413.496 5.361 50 0 HKAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000004033541 568935213 /nfs/dbraw/zinc/93/52/13/568935213.db2.gz WHZXNPFXQLQEMN-HXUWFJFHSA-N 0 0 413.496 5.361 50 0 HKAARN Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000004033542 568935278 /nfs/dbraw/zinc/93/52/78/568935278.db2.gz WHZXNPFXQLQEMN-FQEVSTJZSA-N 0 0 413.496 5.361 50 0 HKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000004033593 568935248 /nfs/dbraw/zinc/93/52/48/568935248.db2.gz PRDLTUORZPMLGJ-MRXNPFEDSA-N 0 0 411.933 5.265 50 0 HKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000004033594 568935224 /nfs/dbraw/zinc/93/52/24/568935224.db2.gz PRDLTUORZPMLGJ-INIZCTEOSA-N 0 0 411.933 5.265 50 0 HKAARN CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000004033615 568935155 /nfs/dbraw/zinc/93/51/55/568935155.db2.gz HGAYIYDMHUEUFI-LJQANCHMSA-N 0 0 413.546 5.327 50 0 HKAARN CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000004033616 568935159 /nfs/dbraw/zinc/93/51/59/568935159.db2.gz HGAYIYDMHUEUFI-IBGZPJMESA-N 0 0 413.546 5.327 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000004033854 568935157 /nfs/dbraw/zinc/93/51/57/568935157.db2.gz VADBEZHHWOKYAL-UHFFFAOYSA-N 0 0 412.276 5.554 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000004033908 568935231 /nfs/dbraw/zinc/93/52/31/568935231.db2.gz ANDSJNBFXHAKFD-UHFFFAOYSA-N 0 0 405.457 6.275 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1Oc1ccccc1 ZINC000004033910 568935173 /nfs/dbraw/zinc/93/51/73/568935173.db2.gz KXEJRCXMEFPWSF-UHFFFAOYSA-N 0 0 405.457 6.275 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000004034010 557506628 /nfs/dbraw/zinc/50/66/28/557506628.db2.gz NOAQKIQVMOSODI-UHFFFAOYSA-N 0 0 410.502 5.686 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000004034024 568935243 /nfs/dbraw/zinc/93/52/43/568935243.db2.gz QASQPAHNCASNOJ-UHFFFAOYSA-N 0 0 405.457 6.275 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1Oc1ccccc1 ZINC000004034025 568935166 /nfs/dbraw/zinc/93/51/66/568935166.db2.gz BJHBYHXWGULTHH-UHFFFAOYSA-N 0 0 405.457 6.275 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000004034668 568879140 /nfs/dbraw/zinc/87/91/40/568879140.db2.gz GORNLTHDLLQRCG-IBGZPJMESA-N 0 0 420.557 5.248 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000004034669 568879204 /nfs/dbraw/zinc/87/92/04/568879204.db2.gz GORNLTHDLLQRCG-LJQANCHMSA-N 0 0 420.557 5.248 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1C ZINC000004036330 568935584 /nfs/dbraw/zinc/93/55/84/568935584.db2.gz BCJNVYKSEREIBF-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c(C)c1 ZINC000004036346 568935606 /nfs/dbraw/zinc/93/56/06/568935606.db2.gz IWQMNAMDXFIGPP-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1C ZINC000004036355 568935547 /nfs/dbraw/zinc/93/55/47/568935547.db2.gz MLGBLUHCEUNYLI-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c(C)c1 ZINC000004036369 568935525 /nfs/dbraw/zinc/93/55/25/568935525.db2.gz CMQIDUPVNXIGGA-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1C ZINC000004036391 568935580 /nfs/dbraw/zinc/93/55/80/568935580.db2.gz OYZVFLUVUIBIBY-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 ZINC000004036393 568935572 /nfs/dbraw/zinc/93/55/72/568935572.db2.gz CITPWSREZNQCHK-UHFFFAOYSA-N 0 0 409.536 5.030 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C ZINC000004036403 568935626 /nfs/dbraw/zinc/93/56/26/568935626.db2.gz RNYQVDPVYOIPDC-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c(C)c1 ZINC000004036404 568935550 /nfs/dbraw/zinc/93/55/50/568935550.db2.gz GFNNXZFXGYKQKV-UHFFFAOYSA-N 0 0 409.536 5.084 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 ZINC000004036405 568935505 /nfs/dbraw/zinc/93/55/05/568935505.db2.gz BMBMCRRGIHGSLM-UHFFFAOYSA-N 0 0 409.536 5.030 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000004036433 557507064 /nfs/dbraw/zinc/50/70/64/557507064.db2.gz HZFLKGBTYDTOFI-UHFFFAOYSA-N 0 0 406.532 5.586 50 0 aggregator HKAARN CCCCCC1CCC(c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)CC1 ZINC000004036531 568935600 /nfs/dbraw/zinc/93/56/00/568935600.db2.gz RYECXDWXNVXXHM-UHFFFAOYSA-N 0 0 406.979 6.552 50 0 HKAARN CCCCCC1CCC(c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)CC1 ZINC000004036537 568935591 /nfs/dbraw/zinc/93/55/91/568935591.db2.gz FMNSAMXYXKRGQQ-UHFFFAOYSA-N 0 0 422.594 7.052 50 0 HKAARN CCCCCC1CCC(c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)CC1 ZINC000004036551 568935577 /nfs/dbraw/zinc/93/55/77/568935577.db2.gz ODZJBNYRFOIVFC-UHFFFAOYSA-N 0 0 418.610 6.644 50 0 HKAARN CCCCCC1CCC(c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)CC1 ZINC000004036553 568935508 /nfs/dbraw/zinc/93/55/08/568935508.db2.gz CRIVEFXWQRPXAG-UHFFFAOYSA-N 0 0 402.995 6.144 50 0 HKAARN CCCCCC1CCC(c2nnc(SCC(=O)c3sccc3Cl)o2)CC1 ZINC000004036566 568935537 /nfs/dbraw/zinc/93/55/37/568935537.db2.gz RMMODIMAUSCXFW-UHFFFAOYSA-N 0 0 413.008 6.614 50 0 HKAARN CCCCCC1CCC(c2nnc(SCC(=O)c3cc(C)c(O)c(C)c3)o2)CC1 ZINC000004036579 568935529 /nfs/dbraw/zinc/93/55/29/568935529.db2.gz PYZXUNFWUJOILL-UHFFFAOYSA-N 0 0 416.587 6.221 50 0 HKAARN CC[C@@]1(C)C[C@@](CCN(Cc2ccc(Cl)cc2)C(C)=O)(c2ccccc2)CCO1 ZINC000004037288 569060784 /nfs/dbraw/zinc/06/07/84/569060784.db2.gz SEDUJWPTPLVMLK-DQEYMECFSA-N 0 0 413.989 5.996 50 0 biogenic HKAARN CC[C@@]1(C)C[C@](CCN(Cc2ccc(Cl)cc2)C(C)=O)(c2ccccc2)CCO1 ZINC000004037292 569060743 /nfs/dbraw/zinc/06/07/43/569060743.db2.gz SEDUJWPTPLVMLK-LOSJGSFVSA-N 0 0 413.989 5.996 50 0 biogenic HKAARN CCCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC ZINC000004037644 557507004 /nfs/dbraw/zinc/50/70/04/557507004.db2.gz YBVJVSALSNYMNL-OQLLNIDSSA-N 0 0 411.498 5.093 50 0 HKAARN Cc1ccc(C)n1-c1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCCC1 ZINC000004038074 568879881 /nfs/dbraw/zinc/87/98/81/568879881.db2.gz RDDGTDPYAGJFAU-UHFFFAOYSA-N 0 0 410.583 5.850 50 0 HKAARN CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004038921 568879994 /nfs/dbraw/zinc/87/99/94/568879994.db2.gz XFFDYWGJZFMHBB-CYLLOWCCSA-N 0 0 400.603 6.112 50 0 biogenic HKAARN O=C(CSc1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000004040097 568880035 /nfs/dbraw/zinc/88/00/35/568880035.db2.gz MXVWFHDTTFTQLY-NYHFZMIOSA-N 0 0 411.910 5.109 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000004040098 568880028 /nfs/dbraw/zinc/88/00/28/568880028.db2.gz MXVWFHDTTFTQLY-OYHNWAKOSA-N 0 0 411.910 5.109 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000004040102 568880003 /nfs/dbraw/zinc/88/00/03/568880003.db2.gz MXVWFHDTTFTQLY-QRQCRPRQSA-N 0 0 411.910 5.109 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000004040103 568880036 /nfs/dbraw/zinc/88/00/36/568880036.db2.gz MXVWFHDTTFTQLY-IVZQSRNASA-N 0 0 411.910 5.109 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000004040105 568880040 /nfs/dbraw/zinc/88/00/40/568880040.db2.gz JJJGNTWUQPBWDJ-XOBRGWDASA-N 0 0 414.383 5.388 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000004040106 568880011 /nfs/dbraw/zinc/88/00/11/568880011.db2.gz JJJGNTWUQPBWDJ-VBKZILBWSA-N 0 0 414.383 5.388 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000004040108 568880018 /nfs/dbraw/zinc/88/00/18/568880018.db2.gz JJJGNTWUQPBWDJ-VLIAUNLRSA-N 0 0 414.383 5.388 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000004040109 568880033 /nfs/dbraw/zinc/88/00/33/568880033.db2.gz JJJGNTWUQPBWDJ-JLTOFOAXSA-N 0 0 414.383 5.388 50 0 HKAARN O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000004040702 568935785 /nfs/dbraw/zinc/93/57/85/568935785.db2.gz NQLMFYOZGSVABW-SANMLTNESA-N 0 0 409.309 5.176 50 0 HKAARN Cc1cccc([S@@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000004040711 568935771 /nfs/dbraw/zinc/93/57/71/568935771.db2.gz DKRQKKPHXHHYNJ-AREMUKBSSA-N 0 0 405.346 5.346 50 0 HKAARN Cc1cccc([S@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000004040715 568935747 /nfs/dbraw/zinc/93/57/47/568935747.db2.gz DKRQKKPHXHHYNJ-SANMLTNESA-N 0 0 405.346 5.346 50 0 HKAARN CC(C)c1ccc(/C=C/C2=NN(Cc3cccc(C(F)(F)F)c3)C(=O)CC2)cc1 ZINC000004041719 568935872 /nfs/dbraw/zinc/93/58/72/568935872.db2.gz NCGJJUMSWZBHJS-DHZHZOJOSA-N 0 0 400.444 6.021 50 0 HKAARN CC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000004042332 557507465 /nfs/dbraw/zinc/50/74/65/557507465.db2.gz XMOBUAZSVCBURN-UHFFFAOYSA-N 0 0 401.635 6.933 50 0 HKAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000004042388 568935972 /nfs/dbraw/zinc/93/59/72/568935972.db2.gz BPPUSOIPPAHGAG-UHFFFAOYSA-N 0 0 404.413 5.490 50 0 HKAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1Cl ZINC000004042424 568935969 /nfs/dbraw/zinc/93/59/69/568935969.db2.gz YOBBCAXRIDECBZ-UHFFFAOYSA-N 0 0 405.306 5.778 50 0 HKAARN Cc1ccc(Cl)cc1-n1nnnc1[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000004042541 568935883 /nfs/dbraw/zinc/93/58/83/568935883.db2.gz SEGAULMDJBWKMF-HXUWFJFHSA-N 0 0 410.308 5.479 50 0 HKAARN Cc1ccc(Cl)cc1-n1nnnc1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000004042542 568935865 /nfs/dbraw/zinc/93/58/65/568935865.db2.gz SEGAULMDJBWKMF-FQEVSTJZSA-N 0 0 410.308 5.479 50 0 HKAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OC ZINC000004042713 568880034 /nfs/dbraw/zinc/88/00/34/568880034.db2.gz KTVLYYRNLYPKCP-MHWRWJLKSA-N 0 0 411.542 6.093 50 0 HKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3cccc(OC)c3)cc2oc1=O ZINC000004042918 568935962 /nfs/dbraw/zinc/93/59/62/568935962.db2.gz KZDXLKAEBWPKFX-UHFFFAOYSA-N 0 0 414.929 6.465 50 0 biogenic HKAARN Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C(C)(C)C)CC2)cc1 ZINC000004043048 568935891 /nfs/dbraw/zinc/93/58/91/568935891.db2.gz ONDZLWLIHSXNGO-UHFFFAOYSA-N 0 0 417.601 6.131 50 0 HKAARN Cc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCC(C(C)(C)C)CC1 ZINC000004043050 568935927 /nfs/dbraw/zinc/93/59/27/568935927.db2.gz ULINNTDALKQOJP-UHFFFAOYSA-N 0 0 417.601 6.131 50 0 HKAARN Cc1ccc(NC2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 ZINC000004043056 568936000 /nfs/dbraw/zinc/93/60/00/568936000.db2.gz VFJQLCOUOJNRQT-UHFFFAOYSA-N 0 0 403.574 5.823 50 0 HKAARN Cc1ccccc1NC1(c2nnnn2-c2ccccc2C)CCC(C(C)(C)C)CC1 ZINC000004043058 568936070 /nfs/dbraw/zinc/93/60/70/568936070.db2.gz AMURDVSBQAIALT-UHFFFAOYSA-N 0 0 403.574 5.823 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 ZINC000004043209 568936088 /nfs/dbraw/zinc/93/60/88/568936088.db2.gz FVDSDOPDZVKWRU-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 biogenic HKAARN COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@H](C(C)C)C1 ZINC000004043212 568936054 /nfs/dbraw/zinc/93/60/54/568936054.db2.gz QBAQLXNSVGMBMM-UIOOFZCWSA-N 0 0 409.570 5.207 50 0 biogenic HKAARN COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@@H](C(C)C)C1 ZINC000004043214 568936045 /nfs/dbraw/zinc/93/60/45/568936045.db2.gz QBAQLXNSVGMBMM-FTJBHMTQSA-N 0 0 409.570 5.207 50 0 biogenic HKAARN COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@H](C(C)C)C1 ZINC000004043215 568936042 /nfs/dbraw/zinc/93/60/42/568936042.db2.gz QBAQLXNSVGMBMM-IZZNHLLZSA-N 0 0 409.570 5.207 50 0 biogenic HKAARN COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@@H](C(C)C)C1 ZINC000004043216 568936034 /nfs/dbraw/zinc/93/60/34/568936034.db2.gz QBAQLXNSVGMBMM-CLJLJLNGSA-N 0 0 409.570 5.207 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000004043231 568936012 /nfs/dbraw/zinc/93/60/12/568936012.db2.gz FMZJNQNGADLNRV-RUZDIDTESA-N 0 0 411.586 6.051 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 ZINC000004043233 568936027 /nfs/dbraw/zinc/93/60/27/568936027.db2.gz FMZJNQNGADLNRV-VWLOTQADSA-N 0 0 411.586 6.051 50 0 biogenic HKAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2cccc(C)c2)c3=O)c1 ZINC000004043294 568936064 /nfs/dbraw/zinc/93/60/64/568936064.db2.gz USUHIACHOKCLSP-UHFFFAOYSA-N 0 0 402.402 5.122 50 0 biogenic HKAARN CCc1ccc(Oc2coc3cc(OC(=O)c4cccc(F)c4)ccc3c2=O)cc1 ZINC000004043295 568936032 /nfs/dbraw/zinc/93/60/32/568936032.db2.gz LMKDYZIWODELDZ-UHFFFAOYSA-N 0 0 404.393 5.506 50 0 HKAARN O=C(Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)c1ccccc1F ZINC000004043302 568936129 /nfs/dbraw/zinc/93/61/29/568936129.db2.gz HHENDIZMXGIKGA-UHFFFAOYSA-N 0 0 410.784 5.597 50 0 HKAARN CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(-c5ccccc5)cc4)coc3c12 ZINC000004043306 568936112 /nfs/dbraw/zinc/93/61/12/568936112.db2.gz IVWMIALYMAYMKO-UHFFFAOYSA-N 0 0 408.497 7.524 50 0 biogenic HKAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)c1 ZINC000004043308 568935999 /nfs/dbraw/zinc/93/59/99/568935999.db2.gz VYJDMZFGYNJWPK-UHFFFAOYSA-N 0 0 416.429 5.430 50 0 HKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000004043420 568936095 /nfs/dbraw/zinc/93/60/95/568936095.db2.gz ZDBBRQSWYMQDPX-BDYUSTAISA-N 0 0 407.598 5.897 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000004043423 568936056 /nfs/dbraw/zinc/93/60/56/568936056.db2.gz ZDBBRQSWYMQDPX-AHKZPQOWSA-N 0 0 407.598 5.897 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000004043426 568936039 /nfs/dbraw/zinc/93/60/39/568936039.db2.gz ZDBBRQSWYMQDPX-VPUSJEBWSA-N 0 0 407.598 5.897 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000004043427 568936107 /nfs/dbraw/zinc/93/61/07/568936107.db2.gz ZDBBRQSWYMQDPX-XNMGPUDCSA-N 0 0 407.598 5.897 50 0 biogenic HKAARN CCCCCCc1c(C)c2ccc(OC(=O)c3ccc(OC)cc3)c(C)c2oc1=O ZINC000004043436 568936126 /nfs/dbraw/zinc/93/61/26/568936126.db2.gz RFPQAWZBNZNOIH-UHFFFAOYSA-N 0 0 408.494 5.760 50 0 biogenic HKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(OC)cc3)cc2oc1=O ZINC000004043544 568936006 /nfs/dbraw/zinc/93/60/06/568936006.db2.gz WEXXILXJUQHIAN-UHFFFAOYSA-N 0 0 414.929 6.465 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000004043602 568936101 /nfs/dbraw/zinc/93/61/01/568936101.db2.gz MSKPBDGFSCBHIQ-BDYUSTAISA-N 0 0 423.597 5.597 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000004043604 568936103 /nfs/dbraw/zinc/93/61/03/568936103.db2.gz MSKPBDGFSCBHIQ-AHKZPQOWSA-N 0 0 423.597 5.597 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000004043606 568936115 /nfs/dbraw/zinc/93/61/15/568936115.db2.gz MSKPBDGFSCBHIQ-VPUSJEBWSA-N 0 0 423.597 5.597 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000004043608 568936082 /nfs/dbraw/zinc/93/60/82/568936082.db2.gz MSKPBDGFSCBHIQ-XNMGPUDCSA-N 0 0 423.597 5.597 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000004043626 568936091 /nfs/dbraw/zinc/93/60/91/568936091.db2.gz JGXOSEIPYHFJEJ-RRPNLBNLSA-N 0 0 423.597 5.515 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000004043628 568936109 /nfs/dbraw/zinc/93/61/09/568936109.db2.gz JGXOSEIPYHFJEJ-SVBPBHIXSA-N 0 0 423.597 5.515 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000004043630 568936009 /nfs/dbraw/zinc/93/60/09/568936009.db2.gz JGXOSEIPYHFJEJ-KAYWLYCHSA-N 0 0 423.597 5.515 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000004043631 568936015 /nfs/dbraw/zinc/93/60/15/568936015.db2.gz JGXOSEIPYHFJEJ-SXOMAYOGSA-N 0 0 423.597 5.515 50 0 biogenic HKAARN CCOc1c(C)cc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1C ZINC000004043761 568936236 /nfs/dbraw/zinc/93/62/36/568936236.db2.gz MHWBZUDRLGMLFL-UHFFFAOYSA-N 0 0 405.538 5.886 50 0 HKAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccco2)CCCC3)cc1 ZINC000004043850 557507410 /nfs/dbraw/zinc/50/74/10/557507410.db2.gz OYPROWUXZIKVAF-UHFFFAOYSA-N 0 0 410.495 5.123 50 0 HKAARN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNC(=O)Nc3ccccc3)CCC[C@]21C ZINC000004044334 568936230 /nfs/dbraw/zinc/93/62/30/568936230.db2.gz YZEYNPFQLPXVOR-DOEKTCAHSA-N 0 0 404.598 6.642 50 0 biogenic HKAARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)Nc3ccccc3)CCC[C@]21C ZINC000004044336 568936215 /nfs/dbraw/zinc/93/62/15/568936215.db2.gz YZEYNPFQLPXVOR-FXVJXKIMSA-N 0 0 404.598 6.642 50 0 biogenic HKAARN Cc1ccc([C@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004044780 568936272 /nfs/dbraw/zinc/93/62/72/568936272.db2.gz VCSJWHQCEMLEMY-AHKZPQOWSA-N 0 0 423.597 5.562 50 0 biogenic HKAARN Cc1ccc([C@@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004044782 568936186 /nfs/dbraw/zinc/93/61/86/568936186.db2.gz VCSJWHQCEMLEMY-BDYUSTAISA-N 0 0 423.597 5.562 50 0 biogenic HKAARN Cc1ccc([C@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004044784 568936165 /nfs/dbraw/zinc/93/61/65/568936165.db2.gz VCSJWHQCEMLEMY-XNMGPUDCSA-N 0 0 423.597 5.562 50 0 biogenic HKAARN Cc1ccc([C@@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004044787 568936275 /nfs/dbraw/zinc/93/62/75/568936275.db2.gz VCSJWHQCEMLEMY-VPUSJEBWSA-N 0 0 423.597 5.562 50 0 biogenic HKAARN C[C@@H]1C[C@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004045127 132269994 /nfs/dbraw/zinc/26/99/94/132269994.db2.gz MRAMZZXAPMWUNP-IERDGZPVSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@H]1C[C@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004045128 132270054 /nfs/dbraw/zinc/27/00/54/132270054.db2.gz MRAMZZXAPMWUNP-KKSFZXQISA-N 0 0 421.338 6.041 50 0 HKAARN C[C@@H]1C[C@@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004045129 132270016 /nfs/dbraw/zinc/27/00/16/132270016.db2.gz MRAMZZXAPMWUNP-IIBYNOLFSA-N 0 0 421.338 6.041 50 0 HKAARN C[C@H]1C[C@@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004045131 132270018 /nfs/dbraw/zinc/27/00/18/132270018.db2.gz MRAMZZXAPMWUNP-HRAATJIYSA-N 0 0 421.338 6.041 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000004045212 557507493 /nfs/dbraw/zinc/50/74/93/557507493.db2.gz LRGSBFZUWGHORH-UHFFFAOYSA-N 0 0 419.834 5.988 50 0 HKAARN Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2ncccc2o1 ZINC000004045369 568880186 /nfs/dbraw/zinc/88/01/86/568880186.db2.gz DCKHSSACZIJXMQ-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN COc1ccccc1OCCn1c2ccccc2nc1SCCOc1ccccc1 ZINC000004045665 557507515 /nfs/dbraw/zinc/50/75/15/557507515.db2.gz JFTWVWGPWSUDKH-UHFFFAOYSA-N 0 0 420.534 5.295 50 0 HKAARN CC(C)(C)c1cc(-c2ccccc2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 ZINC000004046142 568936178 /nfs/dbraw/zinc/93/61/78/568936178.db2.gz QDIYFOSZWZROSC-UHFFFAOYSA-N 0 0 401.535 6.095 50 0 HKAARN C[C@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 ZINC000004046268 569364513 /nfs/dbraw/zinc/36/45/13/569364513.db2.gz IBRITAIXYVAHTQ-AOMKIAJQSA-N 0 0 412.942 5.481 50 0 HKAARN C[C@@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 ZINC000004046270 569364488 /nfs/dbraw/zinc/36/44/88/569364488.db2.gz IBRITAIXYVAHTQ-OPAMFIHVSA-N 0 0 412.942 5.481 50 0 HKAARN C[C@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 ZINC000004046271 569364512 /nfs/dbraw/zinc/36/45/12/569364512.db2.gz IBRITAIXYVAHTQ-KSFYIVLOSA-N 0 0 412.942 5.481 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc(OCC)c1OCC ZINC000004046368 568936171 /nfs/dbraw/zinc/93/61/71/568936171.db2.gz ZLBBZECFCBYANT-UHFFFAOYSA-N 0 0 420.509 5.121 50 0 HKAARN Cc1ccc2nc(Nc3ccc(N(C)C)cc3)c(Nc3ccc(N(C)C)cc3)nc2c1 ZINC000004046440 568880171 /nfs/dbraw/zinc/88/01/71/568880171.db2.gz PRUDRRUSIMIIAI-UHFFFAOYSA-N 0 0 412.541 5.557 50 0 HKAARN CC(C)[C@H](CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000004046591 568880182 /nfs/dbraw/zinc/88/01/82/568880182.db2.gz ABWOYWSDRKZXNC-VJBWXMMDSA-N 0 0 411.586 5.905 50 0 biogenic HKAARN CC(C)[C@H](CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000004046594 568880180 /nfs/dbraw/zinc/88/01/80/568880180.db2.gz ABWOYWSDRKZXNC-ZLNRFVROSA-N 0 0 411.586 5.905 50 0 biogenic HKAARN CCCn1c2ccccc2nc1SCc1nc2ccccc2n1Cc1ccccc1 ZINC000004046624 557507701 /nfs/dbraw/zinc/50/77/01/557507701.db2.gz PZGFMEUYSBWNLN-UHFFFAOYSA-N 0 0 412.562 6.137 50 0 HKAARN CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004046670 568880199 /nfs/dbraw/zinc/88/01/99/568880199.db2.gz FCOZMFBWWWZEKA-ISKFKSNPSA-N 0 0 417.634 6.080 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004046672 568880173 /nfs/dbraw/zinc/88/01/73/568880173.db2.gz FCOZMFBWWWZEKA-VWNXMTODSA-N 0 0 417.634 6.080 50 0 biogenic HKAARN CCC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004046675 568880174 /nfs/dbraw/zinc/88/01/74/568880174.db2.gz FCOZMFBWWWZEKA-LADGPHEKSA-N 0 0 417.634 6.080 50 0 biogenic HKAARN CCC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004046676 568880213 /nfs/dbraw/zinc/88/02/13/568880213.db2.gz FCOZMFBWWWZEKA-UPVQGACJSA-N 0 0 417.634 6.080 50 0 biogenic HKAARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\N=C(c2ccccc2)OC1=O ZINC000004048105 568880377 /nfs/dbraw/zinc/88/03/77/568880377.db2.gz CREVGSGVEBCKLT-MYTRHGCZSA-N 0 0 406.507 5.136 50 0 HKAARN COc1ccc(-c2nc3c(Br)cc(Br)cc3cc2C)cc1 ZINC000004049908 568880329 /nfs/dbraw/zinc/88/03/29/568880329.db2.gz OGYRHQCVTJANPO-UHFFFAOYSA-N 0 0 407.105 5.744 50 0 HKAARN Cc1ccc(C(=O)n2ccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 ZINC000004050138 568880500 /nfs/dbraw/zinc/88/05/00/568880500.db2.gz HEVYQCSQWOMZHK-GOSISDBHSA-N 0 0 400.453 5.826 50 0 HKAARN Cc1ccc(C(=O)n2ccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 ZINC000004050142 568880511 /nfs/dbraw/zinc/88/05/11/568880511.db2.gz HEVYQCSQWOMZHK-SFHVURJKSA-N 0 0 400.453 5.826 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004050242 568880469 /nfs/dbraw/zinc/88/04/69/568880469.db2.gz CKQUSLZVDMAEQI-UHFFFAOYSA-N 0 0 405.228 6.355 50 0 HKAARN COc1ccc(-c2ccnc(-c3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000004050284 568880586 /nfs/dbraw/zinc/88/05/86/568880586.db2.gz MOZKCUTZLJJSKU-UHFFFAOYSA-N 0 0 400.409 5.178 50 0 HKAARN COc1cc(OC)c2nc(C)c3c(c2c1)N(c1ccc(Oc2ccccc2)cc1)CC3 ZINC000004050310 568880518 /nfs/dbraw/zinc/88/05/18/568880518.db2.gz GLHHBLOLVYBZPQ-UHFFFAOYSA-N 0 0 412.489 6.047 50 0 HKAARN CCCCCCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C ZINC000004050353 568880610 /nfs/dbraw/zinc/88/06/10/568880610.db2.gz TWNCXDMCQKESMR-UHFFFAOYSA-N 0 0 406.559 5.131 50 0 HKAARN Cc1cc2nc(/C=C/c3ccccc3)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000004050619 568936367 /nfs/dbraw/zinc/93/63/67/568936367.db2.gz VXDAOAYOQYEIAL-PKNBQFBNSA-N 0 0 407.344 7.179 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 ZINC000004050676 568936356 /nfs/dbraw/zinc/93/63/56/568936356.db2.gz XESKMVGXAROVLV-UHFFFAOYSA-N 0 0 401.775 5.459 50 0 HKAARN Cc1cc(Br)c(C(C)C)c(Br)c1OC(=O)c1ccco1 ZINC000004050750 568936355 /nfs/dbraw/zinc/93/63/55/568936355.db2.gz GBAXRHCEAAQHDT-UHFFFAOYSA-N 0 0 402.082 5.456 50 0 HKAARN Cc1cc(Br)c(C(C)C)cc1OC(=O)c1ccc(Cl)cc1Cl ZINC000004050760 568936428 /nfs/dbraw/zinc/93/64/28/568936428.db2.gz 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/nfs/dbraw/zinc/93/63/89/568936389.db2.gz JAHYOSOIIMCRJM-UHFFFAOYSA-N 0 0 406.844 6.443 50 0 HKAARN Cc1nc(SCc2ccccc2)nc2c1CCN2c1ccc(Br)cc1 ZINC000004051458 568936393 /nfs/dbraw/zinc/93/63/93/568936393.db2.gz BUDXIBKAHBSOHY-UHFFFAOYSA-N 0 0 412.356 5.534 50 0 HKAARN Cc1ccccc1S(=O)(=O)c1c(C)c(-c2ccccc2)c(C)nc1OCC(C)C ZINC000004051935 568936557 /nfs/dbraw/zinc/93/65/57/568936557.db2.gz WFQFPHLAIKNXCU-UHFFFAOYSA-N 0 0 409.551 5.541 50 0 HKAARN Clc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3c3c2CCS3)cc1 ZINC000004052170 568936528 /nfs/dbraw/zinc/93/65/28/568936528.db2.gz YCBONHICEOUNQX-XYOKQWHBSA-N 0 0 415.945 7.499 50 0 HKAARN Clc1ccccc1/C=C/c1nc2ccc(Oc3ccccc3)cc2c2c1CCS2 ZINC000004052171 568936590 /nfs/dbraw/zinc/93/65/90/568936590.db2.gz HJVJQAJVVUFGLJ-ZRDIBKRKSA-N 0 0 415.945 7.499 50 0 HKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(/C=C/c4ccccc4)n3c2n1 ZINC000004052703 568880711 /nfs/dbraw/zinc/88/07/11/568880711.db2.gz OYJGWTQHDOCPTD-SOFGYWHQSA-N 0 0 408.305 5.486 50 0 HKAARN 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568881236 /nfs/dbraw/zinc/88/12/36/568881236.db2.gz CVVARMCRJADYHS-UHFFFAOYSA-N 0 0 414.574 6.346 50 0 HKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)c1 ZINC000004059752 568881262 /nfs/dbraw/zinc/88/12/62/568881262.db2.gz MGKLYWPGEXUWDB-UHFFFAOYSA-N 0 0 404.535 5.308 50 0 HKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3nccs3)c3ccccc32)c1 ZINC000004059754 568881239 /nfs/dbraw/zinc/88/12/39/568881239.db2.gz JFCJXZYIKMQQDD-UHFFFAOYSA-N 0 0 407.564 5.494 50 0 HKAARN Cc1cc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)no1 ZINC000004059757 568881242 /nfs/dbraw/zinc/88/12/42/568881242.db2.gz QPKYAVUNBAFLLP-UHFFFAOYSA-N 0 0 405.523 5.334 50 0 HKAARN Cc1ccc(C)c(Cn2cc(SCc3c(F)cccc3Cl)c3ccccc32)c1 ZINC000004059761 568881187 /nfs/dbraw/zinc/88/11/87/568881187.db2.gz LTMDXLINVGHGAH-UHFFFAOYSA-N 0 0 409.957 7.391 50 0 HKAARN Cc1ccc(CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)cc1 ZINC000004059789 568881191 /nfs/dbraw/zinc/88/11/91/568881191.db2.gz MQIAVPBLBWHMOM-UHFFFAOYSA-N 0 0 400.547 5.672 50 0 HKAARN O=C(NCCn1cc(SCc2ccccc2Cl)c2ccccc21)c1ccccc1 ZINC000004059790 568881249 /nfs/dbraw/zinc/88/12/49/568881249.db2.gz OTJQCLUGQQUNBZ-UHFFFAOYSA-N 0 0 420.965 6.017 50 0 HKAARN O=C(NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21)c1ccccc1 ZINC000004059792 568881276 /nfs/dbraw/zinc/88/12/76/568881276.db2.gz XPYXFTQUNILEQV-UHFFFAOYSA-N 0 0 420.965 6.017 50 0 HKAARN Cc1ccc(C)c(CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)c1 ZINC000004059793 568881193 /nfs/dbraw/zinc/88/11/93/568881193.db2.gz AHZTXAYQRSQACT-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN Cc1ccccc1CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12 ZINC000004059797 568881204 /nfs/dbraw/zinc/88/12/04/568881204.db2.gz YFGQHHPQWXNQEP-UHFFFAOYSA-N 0 0 400.547 5.672 50 0 HKAARN Cc1ccccc1C(=O)NCCn1cc(SCc2ccccc2)c2ccccc21 ZINC000004059800 568881233 /nfs/dbraw/zinc/88/12/33/568881233.db2.gz ARBABSCUOBAVFR-UHFFFAOYSA-N 0 0 400.547 5.672 50 0 HKAARN Cc1ccc(CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)cc1 ZINC000004059802 568881210 /nfs/dbraw/zinc/88/12/10/568881210.db2.gz SBPCOUVKWDFLFT-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN Cc1cccc(CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)c1 ZINC000004059804 568881222 /nfs/dbraw/zinc/88/12/22/568881222.db2.gz DJPLQMMFWRZRQT-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN Cc1ccccc1CSc1cn(CCNC(=O)c2ccccc2C)c2ccccc12 ZINC000004059806 568881363 /nfs/dbraw/zinc/88/13/63/568881363.db2.gz UGWTXCYMSZLARQ-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)cc1 ZINC000004059808 568881367 /nfs/dbraw/zinc/88/13/67/568881367.db2.gz YRFQHPAOBDGHJK-UHFFFAOYSA-N 0 0 400.547 5.672 50 0 HKAARN COc1ccccc1C(=O)NCCn1cc(SCc2ccccc2)c2ccccc21 ZINC000004059810 568881433 /nfs/dbraw/zinc/88/14/33/568881433.db2.gz RTPSGLXJBRPSQU-UHFFFAOYSA-N 0 0 416.546 5.372 50 0 HKAARN O=C(NCCn1cc(SCc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000004059812 568881361 /nfs/dbraw/zinc/88/13/61/568881361.db2.gz CZBLJYNAUDZDDM-UHFFFAOYSA-N 0 0 420.965 6.017 50 0 HKAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)c1 ZINC000004059814 568881379 /nfs/dbraw/zinc/88/13/79/568881379.db2.gz NETCHCPKAORYII-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)cc1C ZINC000004059816 568881418 /nfs/dbraw/zinc/88/14/18/568881418.db2.gz ZDQWRRZWWIDTLL-UHFFFAOYSA-N 0 0 414.574 5.980 50 0 HKAARN O=[S@](Cc1cc(N2CCCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000004060058 132270528 /nfs/dbraw/zinc/27/05/28/132270528.db2.gz NUIBHTJLAYBTJS-NDEPHWFRSA-N 0 0 411.958 5.095 50 0 HKAARN O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000004060082 568881066 /nfs/dbraw/zinc/88/10/66/568881066.db2.gz GFQBXMRQGFENBF-NDEPHWFRSA-N 0 0 402.544 5.603 50 0 HKAARN Fc1cc(Br)ccc1-c1ccc2cc(OCc3ccccc3)ccc2c1 ZINC000004060431 568936985 /nfs/dbraw/zinc/93/69/85/568936985.db2.gz GDLNZCKNVCBFLG-UHFFFAOYSA-N 0 0 407.282 6.987 50 0 HKAARN CCCn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000004060578 568936911 /nfs/dbraw/zinc/93/69/11/568936911.db2.gz KZNNHYGAVGSMLT-UHFFFAOYSA-N 0 0 408.445 5.681 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1 ZINC000004060612 568936915 /nfs/dbraw/zinc/93/69/15/568936915.db2.gz TWCZKYHMXXEMID-UHFFFAOYSA-N 0 0 403.345 6.089 50 0 HKAARN FC(F)(F)c1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 ZINC000004060629 568936889 /nfs/dbraw/zinc/93/68/89/568936889.db2.gz COHUUYNDQLALFX-UHFFFAOYSA-N 0 0 412.436 6.470 50 0 HKAARN Clc1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1Cl ZINC000004060639 568936979 /nfs/dbraw/zinc/93/69/79/568936979.db2.gz MBFXTWIEWYXHAS-UHFFFAOYSA-N 0 0 413.329 6.758 50 0 HKAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(F)cc2)n1 ZINC000004060647 568937005 /nfs/dbraw/zinc/93/70/05/568937005.db2.gz IBYVVARXSXCRIE-INIZCTEOSA-N 0 0 404.416 5.657 50 0 HKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(F)cc2)n1 ZINC000004060649 568936918 /nfs/dbraw/zinc/93/69/18/568936918.db2.gz IBYVVARXSXCRIE-MRXNPFEDSA-N 0 0 404.416 5.657 50 0 HKAARN CCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000004060651 568936947 /nfs/dbraw/zinc/93/69/47/568936947.db2.gz NAAAOZFUTKBGAP-UHFFFAOYSA-N 0 0 400.547 5.983 50 0 HKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccc(F)cc1 ZINC000004060659 568936975 /nfs/dbraw/zinc/93/69/75/568936975.db2.gz ATVPPVHLHHPLCJ-UHFFFAOYSA-N 0 0 404.510 5.237 50 0 HKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccc1 ZINC000004060665 568936908 /nfs/dbraw/zinc/93/69/08/568936908.db2.gz UYPJCMWOLVVKEP-UHFFFAOYSA-N 0 0 400.547 5.141 50 0 HKAARN Cc1ccc(NC(=O)n2ccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 ZINC000004060696 568936969 /nfs/dbraw/zinc/93/69/69/568936969.db2.gz MDESMUBJFZKWTD-GOSISDBHSA-N 0 0 415.468 6.218 50 0 HKAARN Cc1ccc(NC(=O)n2ccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 ZINC000004060699 568936920 /nfs/dbraw/zinc/93/69/20/568936920.db2.gz MDESMUBJFZKWTD-SFHVURJKSA-N 0 0 415.468 6.218 50 0 HKAARN CCc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 ZINC000004060700 568936971 /nfs/dbraw/zinc/93/69/71/568936971.db2.gz AFOBKDLAEWBYOS-UHFFFAOYSA-N 0 0 418.537 6.122 50 0 HKAARN O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCCc1ccccc1 ZINC000004060702 568936903 /nfs/dbraw/zinc/93/69/03/568936903.db2.gz AKRNTISNCWCAQK-UHFFFAOYSA-N 0 0 418.537 5.280 50 0 HKAARN CCc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000004060746 568936926 /nfs/dbraw/zinc/93/69/26/568936926.db2.gz LCMZIMFTKNERQY-UHFFFAOYSA-N 0 0 414.574 6.291 50 0 HKAARN Cc1ccccc1Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 ZINC000004060748 568936939 /nfs/dbraw/zinc/93/69/39/568936939.db2.gz DWXSLFHSOFVUJK-UHFFFAOYSA-N 0 0 400.547 5.407 50 0 HKAARN Cc1ccccc1Cn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000004060751 568936937 /nfs/dbraw/zinc/93/69/37/568936937.db2.gz GIRBNSLKKQMXRK-UHFFFAOYSA-N 0 0 418.537 5.546 50 0 HKAARN Cc1ccccc1Cn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000004060754 568936998 /nfs/dbraw/zinc/93/69/98/568936998.db2.gz WCJHSQKNMPCJCS-UHFFFAOYSA-N 0 0 414.574 5.449 50 0 HKAARN Cc1cccc(Cn2cc(SCC(=O)NCc3ccccc3)c3ccccc32)c1 ZINC000004060811 568936981 /nfs/dbraw/zinc/93/69/81/568936981.db2.gz VTBTXWHHUVRPGY-UHFFFAOYSA-N 0 0 400.547 5.407 50 0 HKAARN COc1cc(Br)cc2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000004060916 568936923 /nfs/dbraw/zinc/93/69/23/568936923.db2.gz IPKYZJARLJYTCH-UHFFFAOYSA-N 0 0 410.061 5.197 50 0 HKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccccc3)c3ccccc32)c1 ZINC000004060920 568936948 /nfs/dbraw/zinc/93/69/48/568936948.db2.gz OUWUSZMLUXPMIY-UHFFFAOYSA-N 0 0 414.574 5.715 50 0 HKAARN Cc1ccc(Cn2cc(SCC(=O)NCCc3ccccc3)c3ccccc32)cc1 ZINC000004060973 568937050 /nfs/dbraw/zinc/93/70/50/568937050.db2.gz LQNLURQQWFORQF-UHFFFAOYSA-N 0 0 414.574 5.449 50 0 HKAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004061524 568881402 /nfs/dbraw/zinc/88/14/02/568881402.db2.gz HHSXYDOROIURIP-JJXUULFNSA-N 0 0 420.593 6.063 50 0 biogenic HKAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004061528 568881362 /nfs/dbraw/zinc/88/13/62/568881362.db2.gz HHSXYDOROIURIP-GBQMVUELSA-N 0 0 420.593 6.063 50 0 biogenic HKAARN CC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 ZINC000004061931 568881595 /nfs/dbraw/zinc/88/15/95/568881595.db2.gz OOCULLNXUYYSNQ-RUZDIDTESA-N 0 0 417.590 5.361 50 0 biogenic HKAARN CC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 ZINC000004061932 568881588 /nfs/dbraw/zinc/88/15/88/568881588.db2.gz OOCULLNXUYYSNQ-VWLOTQADSA-N 0 0 417.590 5.361 50 0 biogenic HKAARN O=C(NCCc1ccccc1)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 ZINC000004062406 568937409 /nfs/dbraw/zinc/93/74/09/568937409.db2.gz LNWUAKYRLYGROP-UHFFFAOYSA-N 0 0 421.591 5.018 50 0 HKAARN Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 ZINC000004062546 568881712 /nfs/dbraw/zinc/88/17/12/568881712.db2.gz IQCPMSYRUFXIAE-UHFFFAOYSA-N 0 0 421.591 5.997 50 0 HKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2cc3c(cc21)CCCC3 ZINC000004062894 568881578 /nfs/dbraw/zinc/88/15/78/568881578.db2.gz KQGAGDFAUCLULW-UHFFFAOYSA-N 0 0 409.279 6.156 50 0 biogenic HKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1OCC ZINC000004062995 568881604 /nfs/dbraw/zinc/88/16/04/568881604.db2.gz SWNRWLUNARRRAZ-UHFFFAOYSA-N 0 0 419.506 5.408 50 0 HKAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc(Cl)ccc1Cl ZINC000004063034 568881592 /nfs/dbraw/zinc/88/15/92/568881592.db2.gz QGLDORZLODFUCI-UHFFFAOYSA-N 0 0 400.290 5.917 50 0 HKAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)cc1Cl ZINC000004063035 568881558 /nfs/dbraw/zinc/88/15/58/568881558.db2.gz POQAPFAFBNIGKM-UHFFFAOYSA-N 0 0 400.290 5.917 50 0 HKAARN CCOc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 ZINC000004063061 568881709 /nfs/dbraw/zinc/88/17/09/568881709.db2.gz XWOXCLKXVWUGRC-UHFFFAOYSA-N 0 0 403.507 5.247 50 0 HKAARN CCCCC1CCC(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)CC1 ZINC000004063068 568881714 /nfs/dbraw/zinc/88/17/14/568881714.db2.gz TVGAORFPFBWFHB-UHFFFAOYSA-N 0 0 407.583 6.602 50 0 HKAARN Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1cc2ccccc2oc1=O ZINC000004063072 568881794 /nfs/dbraw/zinc/88/17/94/568881794.db2.gz RXTHYNUZDGGDQU-UHFFFAOYSA-N 0 0 413.458 5.025 50 0 HKAARN Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000004063075 568881751 /nfs/dbraw/zinc/88/17/51/568881751.db2.gz QMPMQXFLMLEFSB-UHFFFAOYSA-N 0 0 409.898 5.338 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C ZINC000004063078 568881746 /nfs/dbraw/zinc/88/17/46/568881746.db2.gz RQBGGFLOWLUBPC-UHFFFAOYSA-N 0 0 409.898 5.581 50 0 HKAARN Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1-c1nc2cccnc2s1 ZINC000004063086 568881761 /nfs/dbraw/zinc/88/17/61/568881761.db2.gz FVSIDTGOENLRTC-UHFFFAOYSA-N 0 0 413.458 5.025 50 0 HKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1cc2ccccc2oc1=O ZINC000004063090 568881753 /nfs/dbraw/zinc/88/17/53/568881753.db2.gz LLBKWWIRHJYINH-UHFFFAOYSA-N 0 0 413.458 5.025 50 0 HKAARN COc1ccc(CCC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 ZINC000004063098 568881782 /nfs/dbraw/zinc/88/17/82/568881782.db2.gz ABYXJEJGDQEVCS-UHFFFAOYSA-N 0 0 403.507 5.247 50 0 HKAARN COc1ccc(CCC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 ZINC000004063101 568881764 /nfs/dbraw/zinc/88/17/64/568881764.db2.gz YRPHFOVXRPPIKF-UHFFFAOYSA-N 0 0 403.507 5.247 50 0 HKAARN COc1ccc(CCC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 ZINC000004063102 568881774 /nfs/dbraw/zinc/88/17/74/568881774.db2.gz WGPPSGHYPMVOHL-UHFFFAOYSA-N 0 0 403.507 5.247 50 0 HKAARN Cc1ccc(Nc2nnc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)s2)cc1 ZINC000004063981 568937286 /nfs/dbraw/zinc/93/72/86/568937286.db2.gz HMEXLHRXCKOSEV-UHFFFAOYSA-N 0 0 404.278 5.670 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4F)s3)c(=O)oc2c1 ZINC000004063983 568937414 /nfs/dbraw/zinc/93/74/14/568937414.db2.gz GDEGSYAGMWDFGQ-UHFFFAOYSA-N 0 0 410.474 5.040 50 0 HKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=S)Nc1ccccc1)CCCC2 ZINC000004064322 557509069 /nfs/dbraw/zinc/50/90/69/557509069.db2.gz HTWGRFPHDGZXOI-UHFFFAOYSA-N 0 0 407.564 5.688 50 0 HKAARN C[C@@H]1CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 ZINC000004064357 557509147 /nfs/dbraw/zinc/50/91/47/557509147.db2.gz DMTCUEHDFYNOBC-HSZRJFAPSA-N 0 0 417.596 7.767 50 0 HKAARN C[C@H]1CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 ZINC000004064359 557509081 /nfs/dbraw/zinc/50/90/81/557509081.db2.gz DMTCUEHDFYNOBC-QHCPKHFHSA-N 0 0 417.596 7.767 50 0 HKAARN C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 ZINC000004064556 568937587 /nfs/dbraw/zinc/93/75/87/568937587.db2.gz CIYDTLLVDXPDQI-SFHVURJKSA-N 0 0 410.510 5.372 50 0 biogenic HKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004064588 568937609 /nfs/dbraw/zinc/93/76/09/568937609.db2.gz MAZFIXZJNXBSCA-UHFFFAOYSA-N 0 0 415.496 6.140 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000004065783 568937558 /nfs/dbraw/zinc/93/75/58/568937558.db2.gz LMXASAIFMNDYKF-UHFFFAOYSA-N 0 0 416.356 5.857 50 0 HKAARN Cc1ccccc1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCC(C(C)(C)C)CC1 ZINC000004065789 568937506 /nfs/dbraw/zinc/93/75/06/568937506.db2.gz XAQVQWHLQZYDSH-UHFFFAOYSA-N 0 0 423.992 6.168 50 0 HKAARN Cc1ccccc1-n1nnnc1C1(Nc2ccccc2Cl)CCC(C(C)(C)C)CC1 ZINC000004065790 568937534 /nfs/dbraw/zinc/93/75/34/568937534.db2.gz YXMNHBNKYITUFQ-UHFFFAOYSA-N 0 0 423.992 6.168 50 0 HKAARN Cc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 ZINC000004065872 557509072 /nfs/dbraw/zinc/50/90/72/557509072.db2.gz WRRHKDBUASYFAB-XNTDXEJSSA-N 0 0 417.306 5.627 50 0 HKAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000004065943 557509133 /nfs/dbraw/zinc/50/91/33/557509133.db2.gz VHUQXSYNVVBYFQ-UHFFFAOYSA-N 0 0 406.265 5.141 50 0 HKAARN CN(C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000004066810 568937543 /nfs/dbraw/zinc/93/75/43/568937543.db2.gz FWKQCQZPYJBDHW-UHFFFAOYSA-N 0 0 417.601 5.304 50 0 HKAARN Cc1ccc(OCCSc2nc3cc(Br)ccc3[nH]2)c(C(C)C)c1 ZINC000004066925 568937567 /nfs/dbraw/zinc/93/75/67/568937567.db2.gz RFTOXGVQNGYBHX-UHFFFAOYSA-N 0 0 405.361 5.928 50 0 HKAARN COc1cc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC ZINC000004069846 568937538 /nfs/dbraw/zinc/93/75/38/568937538.db2.gz BBGPAHZFIJGJRL-UHFFFAOYSA-N 0 0 412.511 5.013 50 0 HKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000004069854 568937552 /nfs/dbraw/zinc/93/75/52/568937552.db2.gz TVPMMLPMNRMAOS-UHFFFAOYSA-N 0 0 400.503 6.472 50 0 HKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(Cl)cc1 ZINC000004069855 568937618 /nfs/dbraw/zinc/93/76/18/568937618.db2.gz NAMRASKZGRGOEJ-UHFFFAOYSA-N 0 0 406.894 6.508 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCC2 ZINC000004069860 568937594 /nfs/dbraw/zinc/93/75/94/568937594.db2.gz KKLXBXPCJIPNPX-UHFFFAOYSA-N 0 0 407.491 5.458 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1C ZINC000004069861 568937679 /nfs/dbraw/zinc/93/76/79/568937679.db2.gz WYSYBSXIMMYZHJ-UHFFFAOYSA-N 0 0 400.503 6.472 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c(C)c1 ZINC000004069863 568937821 /nfs/dbraw/zinc/93/78/21/568937821.db2.gz MVJUYWMTBZTSOR-UHFFFAOYSA-N 0 0 400.503 6.472 50 0 HKAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000004069870 568937697 /nfs/dbraw/zinc/93/76/97/568937697.db2.gz GROJCHRTOOEUOE-UHFFFAOYSA-N 0 0 414.486 6.057 50 0 HKAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000004069876 568937748 /nfs/dbraw/zinc/93/77/48/568937748.db2.gz ZZZFCPSHGJNTKE-UHFFFAOYSA-N 0 0 402.475 5.863 50 0 HKAARN O=C(Nc1nc(C(c2ccccc2)c2ccccc2)cs1)c1ccccc1Cl ZINC000004069886 568937765 /nfs/dbraw/zinc/93/77/65/568937765.db2.gz PUWSEHBNXLMNBQ-UHFFFAOYSA-N 0 0 404.922 6.229 50 0 HKAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000004069975 568937819 /nfs/dbraw/zinc/93/78/19/568937819.db2.gz FXPKOFMMNSYXEY-UHFFFAOYSA-N 0 0 401.329 5.948 50 0 HKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1 ZINC000004070002 568937774 /nfs/dbraw/zinc/93/77/74/568937774.db2.gz TXKYFBGNHFLYTF-UHFFFAOYSA-N 0 0 403.463 5.299 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1 ZINC000004070004 568937705 /nfs/dbraw/zinc/93/77/05/568937705.db2.gz NXKWWPIODUJQPP-UHFFFAOYSA-N 0 0 402.475 5.863 50 0 HKAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000004070010 568937751 /nfs/dbraw/zinc/93/77/51/568937751.db2.gz YNLGLCHSASHBKO-UHFFFAOYSA-N 0 0 407.469 6.271 50 0 HKAARN CC(=O)c1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 ZINC000004070026 568937740 /nfs/dbraw/zinc/93/77/40/568937740.db2.gz FDIDXUNKPZBBNE-UHFFFAOYSA-N 0 0 401.285 5.028 50 0 HKAARN CC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1-c1ccccc1 ZINC000004070035 568937793 /nfs/dbraw/zinc/93/77/93/568937793.db2.gz WRJIEZUWQPZKIK-UHFFFAOYSA-N 0 0 414.486 6.057 50 0 HKAARN CC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1-c1ccccc1 ZINC000004070038 568937762 /nfs/dbraw/zinc/93/77/62/568937762.db2.gz FKUVTHIDHNIGMS-UHFFFAOYSA-N 0 0 414.486 6.057 50 0 HKAARN O=C(COc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000004070106 568881998 /nfs/dbraw/zinc/88/19/98/568881998.db2.gz NIBKWYPYTSMNNM-UHFFFAOYSA-N 0 0 423.512 6.087 50 0 HKAARN CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccccc1 ZINC000004070139 568881961 /nfs/dbraw/zinc/88/19/61/568881961.db2.gz QZNVZQNGJBJAOA-UHFFFAOYSA-N 0 0 402.475 5.392 50 0 HKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1 ZINC000004070142 568881908 /nfs/dbraw/zinc/88/19/08/568881908.db2.gz ATNYPMRLHFRUJL-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc2ccccc2c1 ZINC000004070143 568881977 /nfs/dbraw/zinc/88/19/77/568881977.db2.gz WTKHBWOGCSBPHC-UHFFFAOYSA-N 0 0 406.510 6.883 50 0 HKAARN CC(=O)c1sc(NC(=O)c2ccc(Br)s2)nc1-c1ccccc1 ZINC000004070185 568881992 /nfs/dbraw/zinc/88/19/92/568881992.db2.gz JIFRDLYUXHVDMT-UHFFFAOYSA-N 0 0 407.314 5.089 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(=O)c2ccccc2)c1 ZINC000004070206 568881976 /nfs/dbraw/zinc/88/19/76/568881976.db2.gz SSLXECKYEVVIIC-UHFFFAOYSA-N 0 0 400.297 5.302 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000004070216 568881999 /nfs/dbraw/zinc/88/19/99/568881999.db2.gz RTELWESPSVBJCM-QFIPXVFZSA-N 0 0 408.364 7.115 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000004070217 568881966 /nfs/dbraw/zinc/88/19/66/568881966.db2.gz RTELWESPSVBJCM-JOCHJYFZSA-N 0 0 408.364 7.115 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000004070259 560598485 /nfs/dbraw/zinc/59/84/85/560598485.db2.gz GQKLSDHAQGSIKS-UHFFFAOYSA-N 0 0 412.923 6.570 50 0 HKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(Cl)s1 ZINC000004070272 568881917 /nfs/dbraw/zinc/88/19/17/568881917.db2.gz FOBAVKPUOWRCFD-UHFFFAOYSA-N 0 0 412.923 6.570 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)c1C ZINC000004070362 568881869 /nfs/dbraw/zinc/88/18/69/568881869.db2.gz SUSSPVQKEVINLY-UHFFFAOYSA-N 0 0 416.344 5.454 50 0 HKAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)c(C)c1 ZINC000004070363 568881862 /nfs/dbraw/zinc/88/18/62/568881862.db2.gz UFOCOMUFYUZTNQ-UHFFFAOYSA-N 0 0 402.317 5.145 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3cccc(Br)c3)s2)c1C ZINC000004070364 568881889 /nfs/dbraw/zinc/88/18/89/568881889.db2.gz LVXFAMJOEYUCLK-UHFFFAOYSA-N 0 0 416.344 5.454 50 0 HKAARN Cc1cc(C)c(-c2nnc(NC(=O)c3cccc(Br)c3)s2)c(C)c1 ZINC000004070365 568881949 /nfs/dbraw/zinc/88/19/49/568881949.db2.gz SRWBAPFGTDMTGL-UHFFFAOYSA-N 0 0 402.317 5.145 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3Br)s2)c1C ZINC000004070368 568881984 /nfs/dbraw/zinc/88/19/84/568881984.db2.gz GCXBHCFUOYXOPC-UHFFFAOYSA-N 0 0 416.344 5.454 50 0 HKAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3Br)s2)c(C)c1 ZINC000004070369 568881968 /nfs/dbraw/zinc/88/19/68/568881968.db2.gz WQLJUJHOWFXQHL-UHFFFAOYSA-N 0 0 402.317 5.145 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)c1C ZINC000004070402 568937796 /nfs/dbraw/zinc/93/77/96/568937796.db2.gz XYBPROZYTWMDMM-UHFFFAOYSA-N 0 0 413.546 6.358 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1C ZINC000004070406 571316259 /nfs/dbraw/zinc/31/62/59/571316259.db2.gz XFQRPBMKHKRBEE-UHFFFAOYSA-N 0 0 406.338 5.998 50 0 HKAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)s2)c1C ZINC000004070409 568937729 /nfs/dbraw/zinc/93/77/29/568937729.db2.gz XRSDZKNOGPHOAX-UHFFFAOYSA-N 0 0 406.338 5.998 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004070429 568937754 /nfs/dbraw/zinc/93/77/54/568937754.db2.gz XXWBSDFQTJTSSU-UHFFFAOYSA-N 0 0 418.360 5.123 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)cc1 ZINC000004070439 568937711 /nfs/dbraw/zinc/93/77/11/568937711.db2.gz KPHXXPIMHUGOTH-UHFFFAOYSA-N 0 0 409.555 5.870 50 0 HKAARN O=S(=O)(/C=C/c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004070459 557509463 /nfs/dbraw/zinc/50/94/63/557509463.db2.gz CCPRLRGFKQTUSB-YEXLONIWSA-N 0 0 412.514 5.544 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 ZINC000004070499 568937806 /nfs/dbraw/zinc/93/78/06/568937806.db2.gz WCZSUHFOPYLPAG-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000004070502 568937684 /nfs/dbraw/zinc/93/76/84/568937684.db2.gz IUTMEXZGJZKKHY-UHFFFAOYSA-N 0 0 413.329 6.451 50 0 HKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(Cl)s1 ZINC000004070813 568937787 /nfs/dbraw/zinc/93/77/87/568937787.db2.gz UAZFCYGBWOVFBP-UHFFFAOYSA-N 0 0 405.751 5.601 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000004071167 568882036 /nfs/dbraw/zinc/88/20/36/568882036.db2.gz NERAUEVVTNXUNK-UHFFFAOYSA-N 0 0 404.560 6.464 50 0 HKAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004071185 568882071 /nfs/dbraw/zinc/88/20/71/568882071.db2.gz KYUHUCNLMUSJRK-UHFFFAOYSA-N 0 0 410.498 5.392 50 0 HKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(F)cc1 ZINC000004071191 560598457 /nfs/dbraw/zinc/59/84/57/560598457.db2.gz JWNGWKXSQWZKHN-UHFFFAOYSA-N 0 0 408.523 6.295 50 0 HKAARN CC(=O)N(C(C)=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004071214 557509740 /nfs/dbraw/zinc/50/97/40/557509740.db2.gz SHNDKPOQDINIBK-UHFFFAOYSA-N 0 0 419.524 5.969 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000004071245 568882146 /nfs/dbraw/zinc/88/21/46/568882146.db2.gz WGASIKLLEIGTGI-UHFFFAOYSA-N 0 0 414.486 5.302 50 0 HKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004071249 568882015 /nfs/dbraw/zinc/88/20/15/568882015.db2.gz DGOHZHLJGOKOAG-UHFFFAOYSA-N 0 0 408.482 5.933 50 0 HKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1c(F)cccc1F ZINC000004071274 568882101 /nfs/dbraw/zinc/88/21/01/568882101.db2.gz GXHCIEVLNODFAH-UHFFFAOYSA-N 0 0 408.429 6.133 50 0 HKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1c(F)cccc1F ZINC000004071288 568882154 /nfs/dbraw/zinc/88/21/54/568882154.db2.gz BNVLJNWGXVTWFO-UHFFFAOYSA-N 0 0 401.257 5.165 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000004071296 568882125 /nfs/dbraw/zinc/88/21/25/568882125.db2.gz PQUNMDDVAHQERI-UHFFFAOYSA-N 0 0 410.498 6.003 50 0 HKAARN C[C@H](Oc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 ZINC000004071394 568882192 /nfs/dbraw/zinc/88/21/92/568882192.db2.gz HHDKCFIGFAMEAZ-KRWDZBQOSA-N 0 0 410.396 6.006 50 0 HKAARN C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 ZINC000004071395 568882261 /nfs/dbraw/zinc/88/22/61/568882261.db2.gz HHDKCFIGFAMEAZ-QGZVFWFLSA-N 0 0 410.396 6.006 50 0 HKAARN Cc1ccc(Oc2ccc(OC(=O)COc3ccc(Br)cc3)cc2)cc1 ZINC000004071607 568882289 /nfs/dbraw/zinc/88/22/89/568882289.db2.gz WCQSLXJRLSFSQF-UHFFFAOYSA-N 0 0 413.267 5.534 50 0 HKAARN COc1ccc(NC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000004071727 568882191 /nfs/dbraw/zinc/88/21/91/568882191.db2.gz GSESRSHUQGYZBO-UHFFFAOYSA-N 0 0 401.491 6.130 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)sc2c1 ZINC000004071754 568882182 /nfs/dbraw/zinc/88/21/82/568882182.db2.gz IRYPMHOSYNDYQL-UHFFFAOYSA-N 0 0 412.436 6.543 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1OC ZINC000004071758 568882240 /nfs/dbraw/zinc/88/22/40/568882240.db2.gz CJBITSBJQIFEFO-UHFFFAOYSA-N 0 0 408.401 5.098 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 ZINC000004071997 568882225 /nfs/dbraw/zinc/88/22/25/568882225.db2.gz NSOHPXKNJKPNHC-UHFFFAOYSA-N 0 0 415.356 6.122 50 0 HKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1Br ZINC000004072059 568882180 /nfs/dbraw/zinc/88/21/80/568882180.db2.gz BIOSMLCMHMJCJU-UHFFFAOYSA-N 0 0 418.360 5.021 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cc2ccccc2)cc1 ZINC000004072128 568882224 /nfs/dbraw/zinc/88/22/24/568882224.db2.gz BDKQIPIBFJLOGL-UHFFFAOYSA-N 0 0 405.910 5.702 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000004072467 568882279 /nfs/dbraw/zinc/88/22/79/568882279.db2.gz XCPIFIXWVAGKES-UHFFFAOYSA-N 0 0 409.511 5.556 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cccc(F)c1 ZINC000004072674 568882281 /nfs/dbraw/zinc/88/22/81/568882281.db2.gz NRHCCBYUZIMNIH-UHFFFAOYSA-N 0 0 402.450 5.433 50 0 HKAARN COC(=O)C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(C)C)cc1 ZINC000004072839 568882444 /nfs/dbraw/zinc/88/24/44/568882444.db2.gz YSDBBLSKVHQPRP-GOSISDBHSA-N 0 0 409.313 5.543 50 0 HKAARN COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(C)C)cc1 ZINC000004072840 568882383 /nfs/dbraw/zinc/88/23/83/568882383.db2.gz YSDBBLSKVHQPRP-SFHVURJKSA-N 0 0 409.313 5.543 50 0 HKAARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1c[nH]c2ccccc12 ZINC000004072985 568882463 /nfs/dbraw/zinc/88/24/63/568882463.db2.gz XLMADCKYFXLGAS-UHFFFAOYSA-N 0 0 411.332 5.778 50 0 HKAARN COc1ccc(CN(CC[C@@]2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000004073169 557509636 /nfs/dbraw/zinc/50/96/36/557509636.db2.gz IPJPDPQLCHANHD-VWLOTQADSA-N 0 0 419.606 5.454 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000004073170 557509670 /nfs/dbraw/zinc/50/96/70/557509670.db2.gz IPJPDPQLCHANHD-RUZDIDTESA-N 0 0 419.606 5.454 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000004073173 568882447 /nfs/dbraw/zinc/88/24/47/568882447.db2.gz MUPWDPMVVFJZEV-DQEYMECFSA-N 0 0 403.607 5.691 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1 ZINC000004073174 568882395 /nfs/dbraw/zinc/88/23/95/568882395.db2.gz MUPWDPMVVFJZEV-LOSJGSFVSA-N 0 0 403.607 5.691 50 0 biogenic HKAARN COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000004073175 568882465 /nfs/dbraw/zinc/88/24/65/568882465.db2.gz MUPWDPMVVFJZEV-RPBOFIJWSA-N 0 0 403.607 5.691 50 0 biogenic HKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 ZINC000004073176 568882439 /nfs/dbraw/zinc/88/24/39/568882439.db2.gz MUPWDPMVVFJZEV-JWQCQUIFSA-N 0 0 403.607 5.691 50 0 biogenic HKAARN COc1ccccc1[C@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004073194 557509684 /nfs/dbraw/zinc/50/96/84/557509684.db2.gz BLORJSGUUHAICH-NJTBCWBZSA-N 0 0 423.597 5.768 50 0 biogenic HKAARN COc1ccccc1[C@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073195 557509982 /nfs/dbraw/zinc/50/99/82/557509982.db2.gz BLORJSGUUHAICH-GCCWUPBUSA-N 0 0 423.597 5.768 50 0 biogenic HKAARN CCC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004073446 557509922 /nfs/dbraw/zinc/50/99/22/557509922.db2.gz KAQNEFINEASZJG-RUZDIDTESA-N 0 0 403.607 5.836 50 0 biogenic HKAARN CCC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004073447 557509999 /nfs/dbraw/zinc/50/99/99/557509999.db2.gz KAQNEFINEASZJG-VWLOTQADSA-N 0 0 403.607 5.836 50 0 biogenic HKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000004073500 568937965 /nfs/dbraw/zinc/93/79/65/568937965.db2.gz VXLZFOGJWKLCAK-BVZFJXPGSA-N 0 0 420.940 5.322 50 0 biogenic HKAARN CC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004073834 557509994 /nfs/dbraw/zinc/50/99/94/557509994.db2.gz XWMIUMVWBFLXPQ-SANMLTNESA-N 0 0 417.634 6.224 50 0 biogenic HKAARN CC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000004073835 557509842 /nfs/dbraw/zinc/50/98/42/557509842.db2.gz XWMIUMVWBFLXPQ-AREMUKBSSA-N 0 0 417.634 6.224 50 0 biogenic HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004073887 568938116 /nfs/dbraw/zinc/93/81/16/568938116.db2.gz HONOKMUVEQPOAM-MJCHTSOQSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000004073888 568938135 /nfs/dbraw/zinc/93/81/35/568938135.db2.gz HONOKMUVEQPOAM-UEMLJIRCSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004074015 568938052 /nfs/dbraw/zinc/93/80/52/568938052.db2.gz PATZWJFBWJISFP-ITMVOMNUSA-N 0 0 402.619 5.126 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004074016 568938145 /nfs/dbraw/zinc/93/81/45/568938145.db2.gz PATZWJFBWJISFP-MYNXCQRESA-N 0 0 402.619 5.126 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004074017 568938115 /nfs/dbraw/zinc/93/81/15/568938115.db2.gz PATZWJFBWJISFP-HKKSVSEXSA-N 0 0 402.619 5.126 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004074018 568938142 /nfs/dbraw/zinc/93/81/42/568938142.db2.gz PATZWJFBWJISFP-SYOJHBGUSA-N 0 0 402.619 5.126 50 0 biogenic HKAARN Cc1cc(-c2cccnc2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 ZINC000004074884 557509947 /nfs/dbraw/zinc/50/99/47/557509947.db2.gz ICNFPYCUFSBJTA-UHFFFAOYSA-N 0 0 403.551 5.648 50 0 HKAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C ZINC000004075656 568938157 /nfs/dbraw/zinc/93/81/57/568938157.db2.gz QTZYBHDCBPQZAN-UHFFFAOYSA-N 0 0 400.503 6.472 50 0 HKAARN Cc1ccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2ccc(C)c(C)c2)cc1C ZINC000004075657 557509952 /nfs/dbraw/zinc/50/99/52/557509952.db2.gz UVLCHPRUVUVHJQ-UHFFFAOYSA-N 0 0 422.528 6.578 50 0 HKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 ZINC000004075713 568938038 /nfs/dbraw/zinc/93/80/38/568938038.db2.gz RQOFMZWDGVFAQE-UHFFFAOYSA-N 0 0 401.491 5.098 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1 ZINC000004075721 568938061 /nfs/dbraw/zinc/93/80/61/568938061.db2.gz CCVFJAIOFWEZFR-UHFFFAOYSA-N 0 0 400.503 5.662 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2ccc(Cc3ccccc3)cc2)n1 ZINC000004075723 568938210 /nfs/dbraw/zinc/93/82/10/568938210.db2.gz ZONWXBKCRBPSDT-UHFFFAOYSA-N 0 0 400.503 5.662 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000004075731 568938208 /nfs/dbraw/zinc/93/82/08/568938208.db2.gz XLJOPMRZOGURES-UHFFFAOYSA-N 0 0 410.951 6.368 50 0 HKAARN CCN1c2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)c3cccc(c23)C1=O ZINC000004075735 568938309 /nfs/dbraw/zinc/93/83/09/568938309.db2.gz PQILLCNEJXGPEU-UHFFFAOYSA-N 0 0 406.485 5.663 50 0 HKAARN CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=N)oc2cc1O ZINC000004076179 568938279 /nfs/dbraw/zinc/93/82/79/568938279.db2.gz HYPDXEKSGSHTBT-UHFFFAOYSA-N 0 0 404.535 6.531 50 0 HKAARN COc1ccc(-c2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1 ZINC000004076447 568938283 /nfs/dbraw/zinc/93/82/83/568938283.db2.gz ADBPUSBKTAQARW-UHFFFAOYSA-N 0 0 400.912 5.939 50 0 HKAARN O=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccccc1 ZINC000004076529 568938320 /nfs/dbraw/zinc/93/83/20/568938320.db2.gz HXOVBFCYGUJXAD-RCCKNPSSSA-N 0 0 416.477 5.186 50 0 HKAARN O=C(CCOc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000004076612 568938252 /nfs/dbraw/zinc/93/82/52/568938252.db2.gz IZTLGHHIZOKFOH-UHFFFAOYSA-N 0 0 400.503 5.885 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004076634 568938303 /nfs/dbraw/zinc/93/83/03/568938303.db2.gz OVXIYYHWDIELOH-UHFFFAOYSA-N 0 0 416.480 6.946 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)cc1 ZINC000004077233 568938286 /nfs/dbraw/zinc/93/82/86/568938286.db2.gz XVTLXSFJQRCUCV-UHFFFAOYSA-N 0 0 423.538 5.059 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 ZINC000004077236 568938254 /nfs/dbraw/zinc/93/82/54/568938254.db2.gz FOMAGOZCKJRLTD-UHFFFAOYSA-N 0 0 411.958 5.822 50 0 HKAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)cc1 ZINC000004077238 568938299 /nfs/dbraw/zinc/93/82/99/568938299.db2.gz NDWZUPFEAJPWFM-UHFFFAOYSA-N 0 0 407.539 5.178 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C12CC3CC(CC(C3)C1)C2 ZINC000004077243 568938197 /nfs/dbraw/zinc/93/81/97/568938197.db2.gz MFXANEHJPCSDET-UHFFFAOYSA-N 0 0 413.974 5.427 50 0 HKAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc42)CSC3)cc1 ZINC000004077253 568938227 /nfs/dbraw/zinc/93/82/27/568938227.db2.gz PPQNZCXDOCDZSE-UHFFFAOYSA-N 0 0 401.491 5.033 50 0 HKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)c1 ZINC000004077322 568938323 /nfs/dbraw/zinc/93/83/23/568938323.db2.gz IRIMNZZFFJVWLH-UHFFFAOYSA-N 0 0 404.322 5.487 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 ZINC000004077326 568938486 /nfs/dbraw/zinc/93/84/86/568938486.db2.gz VSTXUYZCMDWELN-UHFFFAOYSA-N 0 0 407.539 5.359 50 0 HKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1 ZINC000004077332 568938488 /nfs/dbraw/zinc/93/84/88/568938488.db2.gz UKBVMSHAIWVAHS-UHFFFAOYSA-N 0 0 411.530 5.847 50 0 HKAARN CCCc1c(C)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2oc1=O ZINC000004077440 557510175 /nfs/dbraw/zinc/51/01/75/557510175.db2.gz HEJSGFIVIMKXNL-UHFFFAOYSA-N 0 0 400.474 6.425 50 0 biogenic HKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004077620 568938520 /nfs/dbraw/zinc/93/85/20/568938520.db2.gz IDORNFWYTNDEHH-UHFFFAOYSA-N 0 0 409.551 5.747 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004077712 568938389 /nfs/dbraw/zinc/93/83/89/568938389.db2.gz YQHLSYNLQFYDST-UHFFFAOYSA-N 0 0 414.530 6.356 50 0 HKAARN O=C(Cc1ccccc1)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 ZINC000004078220 568938840 /nfs/dbraw/zinc/93/88/40/568938840.db2.gz LWVFEKQPFLTFEJ-UHFFFAOYSA-N 0 0 409.458 5.030 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccs1 ZINC000004078223 568938829 /nfs/dbraw/zinc/93/88/29/568938829.db2.gz YEJSJLHECBBSGR-UHFFFAOYSA-N 0 0 401.460 5.163 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)C1CCCCC1 ZINC000004078224 568938800 /nfs/dbraw/zinc/93/88/00/568938800.db2.gz RUPDBYHOQQBBGQ-UHFFFAOYSA-N 0 0 401.479 5.368 50 0 HKAARN Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 ZINC000004078226 568938854 /nfs/dbraw/zinc/93/88/54/568938854.db2.gz BXAMEYNGWZXQEE-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)c1 ZINC000004078229 568938832 /nfs/dbraw/zinc/93/88/32/568938832.db2.gz NQWASSSZVGDXHS-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000004078230 568938850 /nfs/dbraw/zinc/93/88/50/568938850.db2.gz HJOOIIKQNOBGBB-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN O=C(Cc1ccccc1)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000004078240 568938790 /nfs/dbraw/zinc/93/87/90/568938790.db2.gz NFZOMSHQUAWNBG-UHFFFAOYSA-N 0 0 409.458 5.030 50 0 HKAARN O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cccs1 ZINC000004078243 568938873 /nfs/dbraw/zinc/93/88/73/568938873.db2.gz LZTCQIGVUAIEGF-UHFFFAOYSA-N 0 0 401.460 5.163 50 0 HKAARN O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000004078244 568938877 /nfs/dbraw/zinc/93/88/77/568938877.db2.gz JDSBAEFCYDYXMX-UHFFFAOYSA-N 0 0 401.479 5.368 50 0 HKAARN Cc1ccccc1C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000004078250 568938835 /nfs/dbraw/zinc/93/88/35/568938835.db2.gz BPIMSUABCLCCSF-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN Cc1ccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000004078253 568938805 /nfs/dbraw/zinc/93/88/05/568938805.db2.gz PCOOBRHEFHOHDY-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)C1CCCCC1 ZINC000004078266 568938797 /nfs/dbraw/zinc/93/87/97/568938797.db2.gz IPQDKNVBZFFVDG-UHFFFAOYSA-N 0 0 412.378 5.112 50 0 HKAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004078287 568882721 /nfs/dbraw/zinc/88/27/21/568882721.db2.gz ULQKLRLRQRKNSK-UHFFFAOYSA-N 0 0 403.548 5.124 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 ZINC000004078322 568882687 /nfs/dbraw/zinc/88/26/87/568882687.db2.gz GVAQSQKMLZIOSN-UHFFFAOYSA-N 0 0 401.532 5.519 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 ZINC000004078326 568882767 /nfs/dbraw/zinc/88/27/67/568882767.db2.gz MQQFOZWGMVZSAT-UHFFFAOYSA-N 0 0 417.531 5.401 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078343 568882773 /nfs/dbraw/zinc/88/27/73/568882773.db2.gz FDKKGEPWAFPMOX-UHFFFAOYSA-N 0 0 409.511 5.304 50 0 HKAARN CC(C)(C)C(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078410 568882761 /nfs/dbraw/zinc/88/27/61/568882761.db2.gz RYKUQJZGPAINJB-UHFFFAOYSA-N 0 0 409.599 5.585 50 0 HKAARN CC(C)CC(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078416 568882741 /nfs/dbraw/zinc/88/27/41/568882741.db2.gz XXHZYVWEASTZQY-UHFFFAOYSA-N 0 0 409.599 5.585 50 0 HKAARN CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078432 568882715 /nfs/dbraw/zinc/88/27/15/568882715.db2.gz YRFUASJVGYPVFP-UHFFFAOYSA-N 0 0 411.615 5.185 50 0 HKAARN CN(C(=O)c1cccc(C(F)(F)F)c1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078441 568882812 /nfs/dbraw/zinc/88/28/12/568882812.db2.gz JMRKDIPXZSQLCO-UHFFFAOYSA-N 0 0 421.488 5.301 50 0 HKAARN CCOC(=O)c1sc(NC(=O)CCSc2ccccc2)nc1-c1ccccc1 ZINC000004078588 568882754 /nfs/dbraw/zinc/88/27/54/568882754.db2.gz FPGBYIWSOXSLTM-UHFFFAOYSA-N 0 0 412.536 5.108 50 0 HKAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000004078913 568882959 /nfs/dbraw/zinc/88/29/59/568882959.db2.gz LIDFMEIPDYRRIT-KRWDZBQOSA-N 0 0 412.114 5.454 50 0 HKAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000004078914 568882966 /nfs/dbraw/zinc/88/29/66/568882966.db2.gz LIDFMEIPDYRRIT-QGZVFWFLSA-N 0 0 412.114 5.454 50 0 HKAARN CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O ZINC000004078921 568882943 /nfs/dbraw/zinc/88/29/43/568882943.db2.gz LIDKCASIVMKXJT-UHFFFAOYSA-N 0 0 404.466 5.647 50 0 biogenic HKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Br ZINC000004078953 557510363 /nfs/dbraw/zinc/51/03/63/557510363.db2.gz GITYWEHRGQAKBR-UHFFFAOYSA-N 0 0 410.267 6.000 50 0 HKAARN Cc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 ZINC000004079022 568882908 /nfs/dbraw/zinc/88/29/08/568882908.db2.gz KELUGGWDWPOHIC-UHFFFAOYSA-N 0 0 408.708 5.182 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)CC1 ZINC000004079026 568882960 /nfs/dbraw/zinc/88/29/60/568882960.db2.gz CTZYYHRRLIUXHC-UHFFFAOYSA-N 0 0 422.392 5.903 50 0 HKAARN Cc1cccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)c1 ZINC000004079057 568882906 /nfs/dbraw/zinc/88/29/06/568882906.db2.gz WTEQYKSLVNHDKW-UHFFFAOYSA-N 0 0 408.708 5.182 50 0 HKAARN Cc1ccccc1-c1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000004079064 568882969 /nfs/dbraw/zinc/88/29/69/568882969.db2.gz YJZFLWFUEIUPTF-UHFFFAOYSA-N 0 0 408.708 5.182 50 0 HKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1C(F)(F)F ZINC000004079128 568882875 /nfs/dbraw/zinc/88/28/75/568882875.db2.gz DZMKEOBJWFYILI-UHFFFAOYSA-N 0 0 407.461 5.277 50 0 HKAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)s2)c(C)c1 ZINC000004079132 568882571 /nfs/dbraw/zinc/88/25/71/568882571.db2.gz BSCPVAHYNLXXLY-UHFFFAOYSA-N 0 0 413.546 5.973 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1c(F)cccc1Cl ZINC000004079145 568882580 /nfs/dbraw/zinc/88/25/80/568882580.db2.gz RVJIHNVYFDWPFP-UHFFFAOYSA-N 0 0 408.285 5.317 50 0 HKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c1 ZINC000004079157 568882647 /nfs/dbraw/zinc/88/26/47/568882647.db2.gz GUEUMQDVHWNBIH-UHFFFAOYSA-N 0 0 403.429 5.199 50 0 HKAARN Cc1cccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)c1 ZINC000004079159 568882655 /nfs/dbraw/zinc/88/26/55/568882655.db2.gz YUEIXBFLCCNFHR-UHFFFAOYSA-N 0 0 407.583 5.473 50 0 HKAARN CC(C)(C)n1nc2c(c1NC(=O)c1cc(Br)ccc1Cl)CSC2 ZINC000004079168 568882712 /nfs/dbraw/zinc/88/27/12/568882712.db2.gz DHWBRGKYIQOQOH-UHFFFAOYSA-N 0 0 414.756 5.053 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)sc2c1 ZINC000004079196 568882735 /nfs/dbraw/zinc/88/27/35/568882735.db2.gz WTVYPSNYZQMMGT-UHFFFAOYSA-N 0 0 412.470 5.630 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 ZINC000004079267 568882819 /nfs/dbraw/zinc/88/28/19/568882819.db2.gz YQMHFDOUEUEARP-UHFFFAOYSA-N 0 0 404.491 5.466 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc3ccccc3c2s1 ZINC000004079303 568882728 /nfs/dbraw/zinc/88/27/28/568882728.db2.gz APRXVUMZTZBPME-UHFFFAOYSA-N 0 0 403.290 5.774 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000004079307 568882794 /nfs/dbraw/zinc/88/27/94/568882794.db2.gz KSPXZBNWNIMQMM-UHFFFAOYSA-N 0 0 405.306 5.233 50 0 HKAARN CC[C@@H](C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000004079427 568938783 /nfs/dbraw/zinc/93/87/83/568938783.db2.gz VDUZNPMMWKRZDB-SSDOTTSWSA-N 0 0 406.758 5.097 50 0 HKAARN CC[C@H](C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000004079428 568938966 /nfs/dbraw/zinc/93/89/66/568938966.db2.gz VDUZNPMMWKRZDB-ZETCQYMHSA-N 0 0 406.758 5.097 50 0 HKAARN CCCCSc1nnc(NC(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000004079483 568939040 /nfs/dbraw/zinc/93/90/40/568939040.db2.gz IVCHZSWKHPAMOT-UHFFFAOYSA-N 0 0 408.936 5.299 50 0 HKAARN CCCCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000004079486 568939044 /nfs/dbraw/zinc/93/90/44/568939044.db2.gz ULNMNYRIYALHGU-UHFFFAOYSA-N 0 0 406.758 5.099 50 0 HKAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000004079596 568938955 /nfs/dbraw/zinc/93/89/55/568938955.db2.gz JACJSTCCYVUYDL-UHFFFAOYSA-N 0 0 407.278 5.156 50 0 HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081298 568939000 /nfs/dbraw/zinc/93/90/00/568939000.db2.gz YYJQALYDDZZWSF-SNADQUGTSA-N 0 0 400.603 5.335 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004081301 568939033 /nfs/dbraw/zinc/93/90/33/568939033.db2.gz YYJQALYDDZZWSF-WUSOCJSPSA-N 0 0 400.603 5.335 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004081303 568938962 /nfs/dbraw/zinc/93/89/62/568938962.db2.gz YYJQALYDDZZWSF-QYZCPXBBSA-N 0 0 400.603 5.335 50 0 biogenic HKAARN CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004081304 568939002 /nfs/dbraw/zinc/93/90/02/568939002.db2.gz YYJQALYDDZZWSF-YQWKVKNLSA-N 0 0 400.603 5.335 50 0 biogenic HKAARN Brc1cc(Br)c2ncc(-c3ccc4ccccc4n3)cc2c1 ZINC000004081520 557510778 /nfs/dbraw/zinc/51/07/78/557510778.db2.gz BYVRCDOUYJVDGE-UHFFFAOYSA-N 0 0 414.100 5.975 50 0 biogenic HKAARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004081527 568938993 /nfs/dbraw/zinc/93/89/93/568938993.db2.gz YDDVOKKQEBUWJE-COTKZVBDSA-N 0 0 414.630 6.502 50 0 biogenic HKAARN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081529 568938983 /nfs/dbraw/zinc/93/89/83/568938983.db2.gz YDDVOKKQEBUWJE-HFNPJGNGSA-N 0 0 414.630 6.502 50 0 biogenic HKAARN CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081532 568939019 /nfs/dbraw/zinc/93/90/19/568939019.db2.gz YDDVOKKQEBUWJE-OYNGNBGDSA-N 0 0 414.630 6.502 50 0 biogenic HKAARN CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004082216 568939124 /nfs/dbraw/zinc/93/91/24/568939124.db2.gz LINVVMHRTUSXHL-KDIXGSMSSA-N 0 0 400.647 6.712 50 0 biogenic HKAARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000004082438 568939139 /nfs/dbraw/zinc/93/91/39/568939139.db2.gz GLEPTZCBJGELTC-UHFFFAOYSA-N 0 0 403.309 6.352 50 0 HKAARN CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N ZINC000004083084 568939395 /nfs/dbraw/zinc/93/93/95/568939395.db2.gz FEQAQKXPWHKXDV-UHFFFAOYSA-N 0 0 413.593 5.818 50 0 HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004083692 557511264 /nfs/dbraw/zinc/51/12/64/557511264.db2.gz ZSUHSKYVVTXINZ-MSLQNIFFSA-N 0 0 414.586 5.593 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004083693 557511215 /nfs/dbraw/zinc/51/12/15/557511215.db2.gz ZSUHSKYVVTXINZ-GIEGYQJMSA-N 0 0 414.586 5.593 50 0 biogenic HKAARN C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000004083779 568939517 /nfs/dbraw/zinc/93/95/17/568939517.db2.gz FODHMRRHZAVFBM-BPBMJBDGSA-N 0 0 408.582 6.070 50 0 biogenic HKAARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000004083780 568939574 /nfs/dbraw/zinc/93/95/74/568939574.db2.gz FODHMRRHZAVFBM-XOZDWGMWSA-N 0 0 408.582 6.070 50 0 biogenic HKAARN CC(C)CC[C@@H](CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000004084327 568939682 /nfs/dbraw/zinc/93/96/82/568939682.db2.gz FQTHXKCSLJHNQB-QFIPXVFZSA-N 0 0 411.586 6.810 50 0 biogenic HKAARN CC(C)CC[C@H](CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 ZINC000004084328 568939645 /nfs/dbraw/zinc/93/96/45/568939645.db2.gz FQTHXKCSLJHNQB-JOCHJYFZSA-N 0 0 411.586 6.810 50 0 biogenic HKAARN CNC(=O)c1c2ccccc2nc(-c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000004084665 568939905 /nfs/dbraw/zinc/93/99/05/568939905.db2.gz UJMVUBLOYIGOLA-UHFFFAOYSA-N 0 0 404.922 6.066 50 0 HKAARN COc1ccc([C@@H]2CC(c3nc4ccccc4s3)=Nc3ccccc3S2)cc1 ZINC000004084763 568939952 /nfs/dbraw/zinc/93/99/52/568939952.db2.gz TVYUBQLONBGZQA-QFIPXVFZSA-N 0 0 402.544 6.663 50 0 HKAARN COc1ccc([C@H]2CC(c3nc4ccccc4s3)=Nc3ccccc3S2)cc1 ZINC000004084764 568939951 /nfs/dbraw/zinc/93/99/51/568939951.db2.gz TVYUBQLONBGZQA-JOCHJYFZSA-N 0 0 402.544 6.663 50 0 HKAARN O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@@H](c3c(F)cccc3Cl)CN12 ZINC000004085144 568940193 /nfs/dbraw/zinc/94/01/93/568940193.db2.gz QEWBYTGHNMAEMD-HJPURHCSSA-N 0 0 402.856 5.651 50 0 biogenic HKAARN O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3c(F)cccc3Cl)CN12 ZINC000004085146 568940212 /nfs/dbraw/zinc/94/02/12/568940212.db2.gz QEWBYTGHNMAEMD-QMHKHESXSA-N 0 0 402.856 5.651 50 0 biogenic HKAARN O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3c(F)cccc3Cl)CN12 ZINC000004085147 568940221 /nfs/dbraw/zinc/94/02/21/568940221.db2.gz QEWBYTGHNMAEMD-MWTRTKDXSA-N 0 0 402.856 5.651 50 0 biogenic HKAARN O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3c(F)cccc3Cl)CN12 ZINC000004085148 568940164 /nfs/dbraw/zinc/94/01/64/568940164.db2.gz QEWBYTGHNMAEMD-WAIKUNEKSA-N 0 0 402.856 5.651 50 0 biogenic HKAARN O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NC1CCCCCC1 ZINC000004085211 568940185 /nfs/dbraw/zinc/94/01/85/568940185.db2.gz BVXCAYVKJUWIOK-NTCAYCPXSA-N 0 0 401.909 5.910 50 0 HKAARN Cc1ccc(CNC(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000004085220 568940177 /nfs/dbraw/zinc/94/01/77/568940177.db2.gz WGTZRMBVIBBNIL-SDNWHVSQSA-N 0 0 409.888 5.696 50 0 HKAARN O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1ccc(F)cc1 ZINC000004085223 568940132 /nfs/dbraw/zinc/94/01/32/568940132.db2.gz ICBAUMMXVFSJRP-MDWZMJQESA-N 0 0 413.851 5.527 50 0 HKAARN O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NCc1cccc(Cl)c1 ZINC000004085283 568940125 /nfs/dbraw/zinc/94/01/25/568940125.db2.gz BUXIXAUMOIAHNP-FMIVXFBMSA-N 0 0 412.316 5.902 50 0 HKAARN O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NCc1ccc(Cl)cc1 ZINC000004085285 568940217 /nfs/dbraw/zinc/94/02/17/568940217.db2.gz LCYPDTNNLQMRTK-MDWZMJQESA-N 0 0 412.316 5.902 50 0 HKAARN CSc1nc2c3ccccc3sc2c(Sc2cccc(C(F)(F)F)c2)n1 ZINC000004085507 568940286 /nfs/dbraw/zinc/94/02/86/568940286.db2.gz AKZLMBRTHSMFEA-UHFFFAOYSA-N 0 0 408.495 6.736 50 0 HKAARN CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000004087475 568941047 /nfs/dbraw/zinc/94/10/47/568941047.db2.gz QYTYWCIRJNLNLQ-UHFFFAOYSA-N 0 0 416.635 5.118 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CSC3)c(C)c1 ZINC000004087552 568941048 /nfs/dbraw/zinc/94/10/48/568941048.db2.gz SFVYZKFQZQOQHN-UHFFFAOYSA-N 0 0 407.539 5.275 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)CSCc2ccccc2)CSC3)c(C)c1 ZINC000004087563 568941040 /nfs/dbraw/zinc/94/10/40/568941040.db2.gz NRNNPUOBLJQLLW-UHFFFAOYSA-N 0 0 409.580 5.108 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2 ZINC000004087568 568941023 /nfs/dbraw/zinc/94/10/23/568941023.db2.gz WMQHHCKROYBNJV-UHFFFAOYSA-N 0 0 415.518 5.098 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)cc1 ZINC000004087594 568941025 /nfs/dbraw/zinc/94/10/25/568941025.db2.gz WIYWUPHDMHJAOV-UHFFFAOYSA-N 0 0 415.518 5.098 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 ZINC000004087636 568941039 /nfs/dbraw/zinc/94/10/39/568941039.db2.gz KVQNIVYKOUFFKC-UHFFFAOYSA-N 0 0 413.930 5.312 50 0 HKAARN O=C(CSCc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000004087642 568941014 /nfs/dbraw/zinc/94/10/14/568941014.db2.gz PHHXOONSKJARGZ-UHFFFAOYSA-N 0 0 415.971 5.144 50 0 HKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)CSCc2ccccc2)CSC3)c1 ZINC000004087660 568941045 /nfs/dbraw/zinc/94/10/45/568941045.db2.gz MBYBEAVVUFAPNG-UHFFFAOYSA-N 0 0 409.580 5.108 50 0 HKAARN Cc1cccc(CSc2nnc(NC(=O)CSCc3ccccc3)s2)c1 ZINC000004087819 568941064 /nfs/dbraw/zinc/94/10/64/568941064.db2.gz XVEWYVXENMDTNR-UHFFFAOYSA-N 0 0 401.582 5.011 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 ZINC000004087828 568941184 /nfs/dbraw/zinc/94/11/84/568941184.db2.gz UGWWEXSDUHDZRG-UHFFFAOYSA-N 0 0 403.504 5.009 50 0 HKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2c(F)cccc2Cl)s1 ZINC000004087841 568941105 /nfs/dbraw/zinc/94/11/05/568941105.db2.gz DAAFLEJEAIPCDI-UHFFFAOYSA-N 0 0 407.923 5.194 50 0 HKAARN C[C@H](Sc1nnc(NC(=O)CSCc2ccccc2)s1)c1ccccc1 ZINC000004088053 568941068 /nfs/dbraw/zinc/94/10/68/568941068.db2.gz XGJRQEJVIXIGJQ-AWEZNQCLSA-N 0 0 401.582 5.263 50 0 HKAARN C[C@@H](Sc1nnc(NC(=O)CSCc2ccccc2)s1)c1ccccc1 ZINC000004088054 568941161 /nfs/dbraw/zinc/94/11/61/568941161.db2.gz XGJRQEJVIXIGJQ-CQSZACIVSA-N 0 0 401.582 5.263 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000004088103 568941186 /nfs/dbraw/zinc/94/11/86/568941186.db2.gz RNGRMDJQKGBOGT-LJQANCHMSA-N 0 0 402.350 5.597 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000004088106 568941190 /nfs/dbraw/zinc/94/11/90/568941190.db2.gz RNGRMDJQKGBOGT-IBGZPJMESA-N 0 0 402.350 5.597 50 0 HKAARN S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000004088107 568941193 /nfs/dbraw/zinc/94/11/93/568941193.db2.gz BSFVCHGYDSELPN-IBGZPJMESA-N 0 0 402.350 5.597 50 0 HKAARN S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000004088109 568941079 /nfs/dbraw/zinc/94/10/79/568941079.db2.gz BSFVCHGYDSELPN-LJQANCHMSA-N 0 0 402.350 5.597 50 0 HKAARN S=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004088139 568941130 /nfs/dbraw/zinc/94/11/30/568941130.db2.gz IHOIEVYUJTWNTP-FQEVSTJZSA-N 0 0 416.377 5.275 50 0 HKAARN S=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000004088140 568941089 /nfs/dbraw/zinc/94/10/89/568941089.db2.gz IHOIEVYUJTWNTP-HXUWFJFHSA-N 0 0 416.377 5.275 50 0 HKAARN S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000004088141 568941177 /nfs/dbraw/zinc/94/11/77/568941177.db2.gz QSANZAYSAYVKNM-LJQANCHMSA-N 0 0 408.398 5.407 50 0 HKAARN S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004088142 568941135 /nfs/dbraw/zinc/94/11/35/568941135.db2.gz QSANZAYSAYVKNM-IBGZPJMESA-N 0 0 408.398 5.407 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5ncsc5c4)cc3)sc2c1 ZINC000004088360 568941255 /nfs/dbraw/zinc/94/12/55/568941255.db2.gz OYNFPIYKQJCVLT-UHFFFAOYSA-N 0 0 401.516 6.134 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2ncsc2c1 ZINC000004088361 568941340 /nfs/dbraw/zinc/94/13/40/568941340.db2.gz GNYCVDYJNPTMSS-UHFFFAOYSA-N 0 0 403.488 5.531 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2ncsc2c1 ZINC000004088383 568941246 /nfs/dbraw/zinc/94/12/46/568941246.db2.gz ZWCTYZTVTJYQKJ-UHFFFAOYSA-N 0 0 403.488 5.531 50 0 HKAARN CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CSC2 ZINC000004088678 568941343 /nfs/dbraw/zinc/94/13/43/568941343.db2.gz YCVCWGDFLVRLKV-UHFFFAOYSA-N 0 0 403.979 5.489 50 0 HKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)CC1 ZINC000004088710 568941357 /nfs/dbraw/zinc/94/13/57/568941357.db2.gz PKSYGORHWJKPCU-UHFFFAOYSA-N 0 0 418.006 6.208 50 0 HKAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C12CC3CC(CC(C3)C1)C2 ZINC000004088716 568941349 /nfs/dbraw/zinc/94/13/49/568941349.db2.gz SSWOGWWEJYCERR-UHFFFAOYSA-N 0 0 413.974 5.427 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 ZINC000004088741 568941324 /nfs/dbraw/zinc/94/13/24/568941324.db2.gz RQJULJAEUCOKHV-UHFFFAOYSA-N 0 0 413.930 5.312 50 0 HKAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1c(F)cccc1Cl ZINC000004088747 568941312 /nfs/dbraw/zinc/94/13/12/568941312.db2.gz SMAHEIGNBJEKNC-UHFFFAOYSA-N 0 0 408.285 5.317 50 0 HKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 ZINC000004088770 568941280 /nfs/dbraw/zinc/94/12/80/568941280.db2.gz OUVLRMRIGMQDIP-UHFFFAOYSA-N 0 0 418.006 6.208 50 0 HKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)CC1 ZINC000004088800 568941311 /nfs/dbraw/zinc/94/13/11/568941311.db2.gz KANMTZVTVSNGPM-UHFFFAOYSA-N 0 0 413.587 5.563 50 0 HKAARN Cc1cccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)c1C ZINC000004088811 568941318 /nfs/dbraw/zinc/94/13/18/568941318.db2.gz WUIQYCYCCZTRGS-UHFFFAOYSA-N 0 0 407.583 5.391 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)cc1C ZINC000004088828 568941451 /nfs/dbraw/zinc/94/14/51/568941451.db2.gz MWVKOWGSSKQTIC-UHFFFAOYSA-N 0 0 401.894 5.281 50 0 HKAARN COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl ZINC000004089127 568941432 /nfs/dbraw/zinc/94/14/32/568941432.db2.gz MDGOSVHVJMUEFC-UHFFFAOYSA-N 0 0 408.910 5.047 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NC(C)C)c(C)c3cc2c1-c1ccccc1 ZINC000004089245 568941532 /nfs/dbraw/zinc/94/15/32/568941532.db2.gz QODBFJOMEKGVSV-UHFFFAOYSA-N 0 0 403.478 5.280 50 0 biogenic HKAARN Cc1ccc(-n2cc(C(=O)c3ccccc3OCc3ccccc3Cl)cn2)cc1 ZINC000004089292 568941475 /nfs/dbraw/zinc/94/14/75/568941475.db2.gz WQJNHVFKXCJRCZ-UHFFFAOYSA-N 0 0 402.881 5.644 50 0 HKAARN Cc1oc2c(cc3c(C)c(CC(=O)NC(C)C)c(=O)oc3c2C)c1-c1ccccc1 ZINC000004089513 568941704 /nfs/dbraw/zinc/94/17/04/568941704.db2.gz IQWIGNVOJMOHHQ-UHFFFAOYSA-N 0 0 403.478 5.199 50 0 biogenic HKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)NC3CC3)c(=O)oc12 ZINC000004089572 568941648 /nfs/dbraw/zinc/94/16/48/568941648.db2.gz SSRPAYJAOVWOMP-UHFFFAOYSA-N 0 0 401.462 5.034 50 0 biogenic HKAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl ZINC000004089598 568941639 /nfs/dbraw/zinc/94/16/39/568941639.db2.gz BKOPEFSRHSAMLN-UHFFFAOYSA-N 0 0 422.937 5.437 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 ZINC000004089785 568941880 /nfs/dbraw/zinc/94/18/80/568941880.db2.gz KQRQTINUQUJPSL-UHFFFAOYSA-N 0 0 401.462 5.034 50 0 biogenic HKAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000004089786 568941883 /nfs/dbraw/zinc/94/18/83/568941883.db2.gz WPJHISKPDMIYAE-UHFFFAOYSA-N 0 0 408.910 5.047 50 0 HKAARN CCCCc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000004089789 568941874 /nfs/dbraw/zinc/94/18/74/568941874.db2.gz IMPUSUOOPOALBR-UHFFFAOYSA-N 0 0 411.354 5.471 50 0 HKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000004089805 568941869 /nfs/dbraw/zinc/94/18/69/568941869.db2.gz RQCYNKKHHMEEMO-UHFFFAOYSA-N 0 0 416.546 5.564 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC4CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000004089976 568941897 /nfs/dbraw/zinc/94/18/97/568941897.db2.gz RISWZYFAGVAJGR-UHFFFAOYSA-N 0 0 415.489 5.343 50 0 biogenic HKAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccccc1 ZINC000004090415 569060767 /nfs/dbraw/zinc/06/07/67/569060767.db2.gz DPGOFGUDLDNDTH-UHFFFAOYSA-N 0 0 414.413 5.025 50 0 biogenic HKAARN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004090611 568942010 /nfs/dbraw/zinc/94/20/10/568942010.db2.gz SVAQIAKUXZVOAW-UHFFFAOYSA-N 0 0 406.309 6.677 50 0 HKAARN O=C(Nc1ccc(C[S@](=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000004090621 568942233 /nfs/dbraw/zinc/94/22/33/568942233.db2.gz RDSWAIQEMQDASH-MUUNZHRXSA-N 0 0 403.425 5.266 50 0 HKAARN O=C(Nc1ccc(C[S@@](=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000004090622 568942229 /nfs/dbraw/zinc/94/22/29/568942229.db2.gz RDSWAIQEMQDASH-NDEPHWFRSA-N 0 0 403.425 5.266 50 0 HKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1 ZINC000004090647 568942194 /nfs/dbraw/zinc/94/21/94/568942194.db2.gz JUMWMUFCPNLPTF-CIEQNIFPSA-N 0 0 410.517 5.155 50 0 biogenic HKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1 ZINC000004090648 568942196 /nfs/dbraw/zinc/94/21/96/568942196.db2.gz JUMWMUFCPNLPTF-GDNFTRMYSA-N 0 0 410.517 5.155 50 0 biogenic HKAARN Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2/C=C/c2ccccc2)cc1 ZINC000004090703 568942218 /nfs/dbraw/zinc/94/22/18/568942218.db2.gz FKCSGKDBQVNWDY-CQLKWFSRSA-N 0 0 410.517 5.074 50 0 biogenic HKAARN Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000004090706 568942239 /nfs/dbraw/zinc/94/22/39/568942239.db2.gz FKCSGKDBQVNWDY-DTKKNGCVSA-N 0 0 410.517 5.074 50 0 biogenic HKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)C1=O ZINC000004090887 568942227 /nfs/dbraw/zinc/94/22/27/568942227.db2.gz IKRVSKOKJJXHDN-AREMUKBSSA-N 0 0 412.533 5.548 50 0 biogenic HKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C1=O ZINC000004090889 568942253 /nfs/dbraw/zinc/94/22/53/568942253.db2.gz IKRVSKOKJJXHDN-SANMLTNESA-N 0 0 412.533 5.548 50 0 biogenic HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2ccccc21 ZINC000004090953 568942417 /nfs/dbraw/zinc/94/24/17/568942417.db2.gz IYEKWOOZBHLSJW-PKNBQFBNSA-N 0 0 401.318 5.673 50 0 HKAARN COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccc3)C[C@H]2C)c1 ZINC000004091154 132270970 /nfs/dbraw/zinc/27/09/70/132270970.db2.gz SCOMFAPURDHZJH-CJAUYULYSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)c1 ZINC000004091156 132271055 /nfs/dbraw/zinc/27/10/55/132271055.db2.gz SCOMFAPURDHZJH-BVZFJXPGSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@H]2C)c1 ZINC000004091158 132271047 /nfs/dbraw/zinc/27/10/47/132271047.db2.gz SCOMFAPURDHZJH-IQGLISFBSA-N 0 0 414.505 5.228 50 0 HKAARN COc1cccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)c1 ZINC000004091160 132270982 /nfs/dbraw/zinc/27/09/82/132270982.db2.gz SCOMFAPURDHZJH-AVRWGWEMSA-N 0 0 414.505 5.228 50 0 HKAARN Cc1c(-c2ccccc2Cl)noc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000004091224 568942361 /nfs/dbraw/zinc/94/23/61/568942361.db2.gz SECVSACBELYYIL-UHFFFAOYSA-N 0 0 403.869 5.542 50 0 HKAARN Clc1cc2nc(SC(c3ccccc3)c3ccccc3)oc2c2ncccc12 ZINC000004091229 557512884 /nfs/dbraw/zinc/51/28/84/557512884.db2.gz CCOUIUDTYMJTRY-UHFFFAOYSA-N 0 0 402.906 6.911 50 0 HKAARN Clc1cc2nc(SCc3ccc(Br)cc3)oc2c2ncccc12 ZINC000004091231 557512877 /nfs/dbraw/zinc/51/28/77/557512877.db2.gz VHVGMFNMOGBYLM-UHFFFAOYSA-N 0 0 405.704 6.084 50 0 HKAARN CCCCCP(=O)(CCCCC)CCP(=O)(CCCCC)CCCCC ZINC000004091437 557512845 /nfs/dbraw/zinc/51/28/45/557512845.db2.gz MQUBUPNHVDSEON-UHFFFAOYSA-N 0 0 406.572 8.473 50 0 HKAARN FC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccc(Cl)cc4)n3)on2)c1 ZINC000004091448 568942416 /nfs/dbraw/zinc/94/24/16/568942416.db2.gz ZTEYUKODMPMETL-UHFFFAOYSA-N 0 0 406.816 6.804 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1 ZINC000004091460 568942378 /nfs/dbraw/zinc/94/23/78/568942378.db2.gz XVNHTLQFTDKLRI-NTCAYCPXSA-N 0 0 403.279 5.319 50 0 HKAARN Cc1cc(C)c(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c(C)c1 ZINC000004091737 568885570 /nfs/dbraw/zinc/88/55/70/568885570.db2.gz HWIORORKRNNJSV-UHFFFAOYSA-N 0 0 419.874 6.849 50 0 HKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1cc2c(s1)-c1ccccc1CC2 ZINC000004091917 568885596 /nfs/dbraw/zinc/88/55/96/568885596.db2.gz PGCMQAKGQOPVGN-UHFFFAOYSA-N 0 0 417.603 6.393 50 0 HKAARN Cc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000004092141 568885511 /nfs/dbraw/zinc/88/55/11/568885511.db2.gz IFTQRQPSNACDEI-MDWZMJQESA-N 0 0 412.316 6.533 50 0 HKAARN O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1c(Cl)cccc1Cl ZINC000004092537 132271042 /nfs/dbraw/zinc/27/10/42/132271042.db2.gz BWXJBWLAHJFDHA-UHFFFAOYSA-N 0 0 414.336 5.256 50 0 HKAARN CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)cc1 ZINC000004092543 535117301 /nfs/dbraw/zinc/11/73/01/535117301.db2.gz NRAPNXRNWDFWLZ-UHFFFAOYSA-N 0 0 401.554 5.246 50 0 HKAARN O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl ZINC000004092548 132271044 /nfs/dbraw/zinc/27/10/44/132271044.db2.gz BKRHVTUEHCGVJS-UHFFFAOYSA-N 0 0 414.336 5.256 50 0 HKAARN O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000004092552 132270975 /nfs/dbraw/zinc/27/09/75/132270975.db2.gz LZLZAAYTEBMRHN-UHFFFAOYSA-N 0 0 414.336 5.256 50 0 HKAARN c1ccc(CSc2nc3c4ccccc4sc3c(NC3CCCCC3)n2)cc1 ZINC000004092635 568942443 /nfs/dbraw/zinc/94/24/43/568942443.db2.gz LZTMTOZLQCOVMI-UHFFFAOYSA-N 0 0 405.592 6.881 50 0 HKAARN Cc1ccc(CSc2nc3c4ccccc4sc3c(Oc3ccccc3)n2)cc1 ZINC000004092651 568942433 /nfs/dbraw/zinc/94/24/33/568942433.db2.gz PUYZGDZBRDLRRW-UHFFFAOYSA-N 0 0 414.555 7.238 50 0 HKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004095717 568758129 /nfs/dbraw/zinc/75/81/29/568758129.db2.gz KZJWDPNRJALLNS-VJSFXXLFSA-N 0 0 414.718 8.025 50 0 endogenous,world HKAARN 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/nfs/dbraw/zinc/51/33/02/557513302.db2.gz OMFRMAHOUUJSGP-JHEGMOCKSA-N 0 0 422.874 6.662 50 0 in-vitro HKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccs2)on1 ZINC000004104101 557513717 /nfs/dbraw/zinc/51/37/17/557513717.db2.gz WBERBCATLAGNRF-UHFFFAOYSA-N 0 0 419.293 5.207 50 0 aggregator HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004104747 557513700 /nfs/dbraw/zinc/51/37/00/557513700.db2.gz YMMFNKXZULYSOQ-UWZQBGKHSA-N 0 0 420.678 5.554 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)c1 ZINC000004105040 568942847 /nfs/dbraw/zinc/94/28/47/568942847.db2.gz JYLNFNPCCLUKNU-UHFFFAOYSA-N 0 0 404.853 5.010 50 0 HKAARN Cc1ccc2c(c1)Oc1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1C(=O)N2 ZINC000004105316 568943171 /nfs/dbraw/zinc/94/31/71/568943171.db2.gz XRXQWXIVYMQKFH-UHFFFAOYSA-N 0 0 413.260 5.912 50 0 HKAARN CC(C)(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000004105396 568943110 /nfs/dbraw/zinc/94/31/10/568943110.db2.gz 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415.493 5.607 50 0 HKAARN Cc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccc(F)cc2)cc1 ZINC000004106593 568943314 /nfs/dbraw/zinc/94/33/14/568943314.db2.gz ANBJKNHZINBGJE-UHFFFAOYSA-N 0 0 415.493 5.607 50 0 HKAARN Cc1ccc(-n2c(S[C@@H](C)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000004106594 568943221 /nfs/dbraw/zinc/94/32/21/568943221.db2.gz KRNSMQKPMQSNFO-KRWDZBQOSA-N 0 0 411.530 6.029 50 0 HKAARN Cc1ccc(-n2c(S[C@H](C)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000004106595 568943421 /nfs/dbraw/zinc/94/34/21/568943421.db2.gz KRNSMQKPMQSNFO-QGZVFWFLSA-N 0 0 411.530 6.029 50 0 HKAARN Cc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2cccc(C)c2)cc1 ZINC000004106596 568943486 /nfs/dbraw/zinc/94/34/86/568943486.db2.gz ZHAGKTKGVBKGCL-UHFFFAOYSA-N 0 0 411.530 5.776 50 0 HKAARN Cc1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000004106597 568943390 /nfs/dbraw/zinc/94/33/90/568943390.db2.gz BBQFCPJVBXFCQR-UHFFFAOYSA-N 0 0 411.530 5.776 50 0 HKAARN Cc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2F)cc1 ZINC000004106598 568943468 /nfs/dbraw/zinc/94/34/68/568943468.db2.gz VOXREUQDVBDVEN-UHFFFAOYSA-N 0 0 415.493 5.607 50 0 HKAARN COc1cccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccc2)c1 ZINC000004106607 568943437 /nfs/dbraw/zinc/94/34/37/568943437.db2.gz BMLVZUFTFATVAK-UHFFFAOYSA-N 0 0 413.502 5.168 50 0 HKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2)n1-c1ccc(F)cc1 ZINC000004106615 568943385 /nfs/dbraw/zinc/94/33/85/568943385.db2.gz WDOBLHBSDSRUHV-UHFFFAOYSA-N 0 0 401.466 5.298 50 0 HKAARN C[C@H](Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)c1ccccc1 ZINC000004106616 568943516 /nfs/dbraw/zinc/94/35/16/568943516.db2.gz XWEHVBSVJSWSAQ-HNNXBMFYSA-N 0 0 415.493 5.859 50 0 HKAARN C[C@@H](Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)c1ccccc1 ZINC000004106617 568943405 /nfs/dbraw/zinc/94/34/05/568943405.db2.gz XWEHVBSVJSWSAQ-OAHLLOKOSA-N 0 0 415.493 5.859 50 0 HKAARN Cc1ccccc1CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000004106618 568943513 /nfs/dbraw/zinc/94/35/13/568943513.db2.gz LYXXYHKSHZYZQX-UHFFFAOYSA-N 0 0 415.493 5.607 50 0 HKAARN Cc1cccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(F)cc2)c1 ZINC000004106619 568943451 /nfs/dbraw/zinc/94/34/51/568943451.db2.gz QVGUXFRSEZSIEN-UHFFFAOYSA-N 0 0 415.493 5.607 50 0 HKAARN Cc1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000004106620 568943369 /nfs/dbraw/zinc/94/33/69/568943369.db2.gz WDLAZLBROQBKTG-UHFFFAOYSA-N 0 0 415.493 5.607 50 0 HKAARN CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000004106630 568943461 /nfs/dbraw/zinc/94/34/61/568943461.db2.gz XNEYWENWLCSJEC-UHFFFAOYSA-N 0 0 403.429 5.388 50 0 HKAARN CC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000004106631 568943380 /nfs/dbraw/zinc/94/33/80/568943380.db2.gz XLFWQIOASYZBDW-UHFFFAOYSA-N 0 0 403.429 5.386 50 0 HKAARN CCCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000004106632 568943416 /nfs/dbraw/zinc/94/34/16/568943416.db2.gz HBFZGXUVEZRGIL-UHFFFAOYSA-N 0 0 417.456 5.778 50 0 HKAARN CC[C@@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000004106633 568943434 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50 0 HKAARN Cc1c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c2ccccc2n1C ZINC000004107151 568943492 /nfs/dbraw/zinc/94/34/92/568943492.db2.gz QIBIRLHEBQQGBA-QKKBWIMNSA-N 0 0 407.583 5.553 50 0 HKAARN Cc1c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c2ccccc2n1C ZINC000004107155 568943424 /nfs/dbraw/zinc/94/34/24/568943424.db2.gz QIBIRLHEBQQGBA-LHSJRXKWSA-N 0 0 407.583 5.553 50 0 HKAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1sc2ccccc2c1Cl ZINC000004107415 568943562 /nfs/dbraw/zinc/94/35/62/568943562.db2.gz IKGYKFBSOROUMX-UHFFFAOYSA-N 0 0 409.898 5.736 50 0 HKAARN Cc1ncsc1C(=O)OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000004107525 568943570 /nfs/dbraw/zinc/94/35/70/568943570.db2.gz YCHOCULWBZNLFI-UHFFFAOYSA-N 0 0 405.517 6.076 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)Nc1ccc(C(C)C)c(C)c1 ZINC000004107586 568943574 /nfs/dbraw/zinc/94/35/74/568943574.db2.gz KPTDWVXAYJILBC-UHFFFAOYSA-N 0 0 418.324 7.033 50 0 HKAARN CC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004107610 132271289 /nfs/dbraw/zinc/27/12/89/132271289.db2.gz PANGGJZAEJRLIT-CQSZACIVSA-N 0 0 416.321 5.102 50 0 HKAARN CC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004107612 132271221 /nfs/dbraw/zinc/27/12/21/132271221.db2.gz PANGGJZAEJRLIT-AWEZNQCLSA-N 0 0 416.321 5.102 50 0 HKAARN O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/COc1ccc(Cl)c(Cl)c1 ZINC000004108547 568909586 /nfs/dbraw/zinc/90/95/86/568909586.db2.gz MTIRCYAEUCIIKR-HFTQHKIXSA-N 0 0 406.309 5.730 50 0 HKAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000004108886 568909578 /nfs/dbraw/zinc/90/95/78/568909578.db2.gz RHUBQHRXIWUWIP-UHFFFAOYSA-N 0 0 415.198 5.332 50 0 HKAARN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000004108928 568909580 /nfs/dbraw/zinc/90/95/80/568909580.db2.gz DDVXLHVDAASLQC-UHFFFAOYSA-N 0 0 423.538 5.387 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004109070 568909715 /nfs/dbraw/zinc/90/97/15/568909715.db2.gz KZNPQXXXFLYLBR-SZNDQCEHSA-N 0 0 407.583 6.210 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004109071 568909602 /nfs/dbraw/zinc/90/96/02/568909602.db2.gz KZNPQXXXFLYLBR-QKKBWIMNSA-N 0 0 407.583 6.210 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004109072 568909728 /nfs/dbraw/zinc/90/97/28/568909728.db2.gz KZNPQXXXFLYLBR-SPLOXXLWSA-N 0 0 407.583 6.210 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004109073 568909642 /nfs/dbraw/zinc/90/96/42/568909642.db2.gz KZNPQXXXFLYLBR-LHSJRXKWSA-N 0 0 407.583 6.210 50 0 HKAARN CC(C)COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000004109776 560735191 /nfs/dbraw/zinc/73/51/91/560735191.db2.gz QOWVNNYEROFWEM-UHFFFAOYSA-N 0 0 406.448 5.593 50 0 HKAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000004109778 560735185 /nfs/dbraw/zinc/73/51/85/560735185.db2.gz LVLCCKLNPJDWFU-OAHLLOKOSA-N 0 0 406.448 5.735 50 0 HKAARN CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000004109779 560735204 /nfs/dbraw/zinc/73/52/04/560735204.db2.gz LVLCCKLNPJDWFU-HNNXBMFYSA-N 0 0 406.448 5.735 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109795 560735202 /nfs/dbraw/zinc/73/52/02/560735202.db2.gz LYNXMHYQSQJGGT-UHFFFAOYSA-N 0 0 414.880 5.690 50 0 HKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1Cl ZINC000004109797 568944032 /nfs/dbraw/zinc/94/40/32/568944032.db2.gz PBLLLVVJMQIYHQ-UHFFFAOYSA-N 0 0 412.839 5.285 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000004109848 132271461 /nfs/dbraw/zinc/27/14/61/132271461.db2.gz CGVPKYJOHRYIOW-UHFFFAOYSA-N 0 0 424.466 6.615 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000004109852 535031547 /nfs/dbraw/zinc/03/15/47/535031547.db2.gz FCFWIPPEMNXLSY-UHFFFAOYSA-N 0 0 406.448 5.735 50 0 HKAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000004109853 132271409 /nfs/dbraw/zinc/27/14/09/132271409.db2.gz YSQQOAODVBWKPF-MRXNPFEDSA-N 0 0 420.475 6.125 50 0 HKAARN CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000004109854 132271442 /nfs/dbraw/zinc/27/14/42/132271442.db2.gz YSQQOAODVBWKPF-INIZCTEOSA-N 0 0 420.475 6.125 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(Cl)c1Cl ZINC000004109859 132271418 /nfs/dbraw/zinc/27/14/18/132271418.db2.gz CSKHSKQZVKNGEM-UHFFFAOYSA-N 0 0 417.258 6.255 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004109862 132271431 /nfs/dbraw/zinc/27/14/31/132271431.db2.gz QKAZXYBZPADNDF-IZZDOVSWSA-N 0 0 408.851 6.001 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000004109866 536191414 /nfs/dbraw/zinc/19/14/14/536191414.db2.gz DHPBVAWZOGFSKX-UHFFFAOYSA-N 0 0 406.448 5.276 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000004109867 132271414 /nfs/dbraw/zinc/27/14/14/132271414.db2.gz JUFCWFIBYCLSHT-UHFFFAOYSA-N 0 0 420.475 5.837 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C ZINC000004109869 132271428 /nfs/dbraw/zinc/27/14/28/132271428.db2.gz RLCSTULQCGTQFM-UHFFFAOYSA-N 0 0 406.448 5.330 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004109870 132271443 /nfs/dbraw/zinc/27/14/43/132271443.db2.gz LSTDCUKBBVJTRG-UHFFFAOYSA-N 0 0 412.839 5.367 50 0 HKAARN O=C(Nc1ccccc1)Oc1cccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000004110168 568910210 /nfs/dbraw/zinc/91/02/10/568910210.db2.gz VBBUXZZKHRRFLE-QFIPXVFZSA-N 0 0 404.491 5.072 50 0 HKAARN O=C(Nc1ccccc1)Oc1cccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000004110169 568910199 /nfs/dbraw/zinc/91/01/99/568910199.db2.gz VBBUXZZKHRRFLE-JOCHJYFZSA-N 0 0 404.491 5.072 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000004110326 568909901 /nfs/dbraw/zinc/90/99/01/568909901.db2.gz PCCPROCGFPNVMC-BWAGICSOSA-N 0 0 403.853 5.825 50 0 HKAARN C[C@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000004110327 557514468 /nfs/dbraw/zinc/51/44/68/557514468.db2.gz PCCPROCGFPNVMC-MVWHLILJSA-N 0 0 403.853 5.825 50 0 HKAARN C[C@@H]1C[C@@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000004110328 557514503 /nfs/dbraw/zinc/51/45/03/557514503.db2.gz PCCPROCGFPNVMC-NWLYGAKOSA-N 0 0 403.853 5.825 50 0 HKAARN C[C@H]1C[C@@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000004110329 557514432 /nfs/dbraw/zinc/51/44/32/557514432.db2.gz PCCPROCGFPNVMC-LTTZEQNMSA-N 0 0 403.853 5.825 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000004110905 557514637 /nfs/dbraw/zinc/51/46/37/557514637.db2.gz NAVLKQYAJJKJIV-UHFFFAOYSA-N 0 0 424.863 5.248 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1)c1ccccc1 ZINC000004113261 568944160 /nfs/dbraw/zinc/94/41/60/568944160.db2.gz SFENWLVHVDXZET-ZEQRLZLVSA-N 0 0 400.522 5.951 50 0 HKAARN CC[C@H](C(=O)NCCCCCCNC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000004113278 568944214 /nfs/dbraw/zinc/94/42/14/568944214.db2.gz ZOLXMMVJBCMZED-ZEQRLZLVSA-N 0 0 408.586 5.167 50 0 HKAARN CC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 ZINC000004113281 568944116 /nfs/dbraw/zinc/94/41/16/568944116.db2.gz ZOLXMMVJBCMZED-DNQXCXABSA-N 0 0 408.586 5.167 50 0 HKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004113811 557515188 /nfs/dbraw/zinc/51/51/88/557515188.db2.gz KFHHONJYQNOKAS-MHZLTWQESA-N 0 0 402.497 6.599 50 0 HKAARN O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004113812 557515200 /nfs/dbraw/zinc/51/52/00/557515200.db2.gz KFHHONJYQNOKAS-HHHXNRCGSA-N 0 0 402.497 6.599 50 0 HKAARN COC(=O)C[C@H](c1ccccc1)[C@H](SCc1ccccc1)[C@H](O)c1ccccc1 ZINC000004113996 557515194 /nfs/dbraw/zinc/51/51/94/557515194.db2.gz CYKNIQPTNMENKI-GPXOXTDOSA-N 0 0 406.547 5.369 50 0 HKAARN COC(=O)C[C@@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@H](O)c1ccccc1 ZINC000004113997 557515154 /nfs/dbraw/zinc/51/51/54/557515154.db2.gz CYKNIQPTNMENKI-ICDZXHCJSA-N 0 0 406.547 5.369 50 0 HKAARN COC(=O)C[C@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@H](O)c1ccccc1 ZINC000004113998 557515172 /nfs/dbraw/zinc/51/51/72/557515172.db2.gz 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HKAARN Cn1c2ccccc2nc1SCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004114760 557515369 /nfs/dbraw/zinc/51/53/69/557515369.db2.gz CYVRKRFRJSNMDA-UHFFFAOYSA-N 0 0 410.583 5.849 50 0 HKAARN CC(C)n1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000004114778 557515398 /nfs/dbraw/zinc/51/53/98/557515398.db2.gz MQAHWRNROLQWMU-HZHRSRAPSA-N 0 0 418.443 6.251 50 0 HKAARN COc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 ZINC000004114833 557515341 /nfs/dbraw/zinc/51/53/41/557515341.db2.gz HYPBVICWORBCIP-UHFFFAOYSA-N 0 0 407.901 5.389 50 0 HKAARN COc1ccc(NCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000004114834 557515367 /nfs/dbraw/zinc/51/53/67/557515367.db2.gz MLARORNNLALCAJ-UHFFFAOYSA-N 0 0 407.901 5.389 50 0 HKAARN CCOc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1 ZINC000004114837 557515362 /nfs/dbraw/zinc/51/53/62/557515362.db2.gz RVDHNTRHDIVRQA-UHFFFAOYSA-N 0 0 401.510 5.435 50 0 HKAARN COc1ccccc1NCc1nc2ccccc2n1CCOc1ccccc1Cl ZINC000004114839 557515354 /nfs/dbraw/zinc/51/53/54/557515354.db2.gz BGJZYQHVEMCJFE-UHFFFAOYSA-N 0 0 407.901 5.389 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000004115891 557515634 /nfs/dbraw/zinc/51/56/34/557515634.db2.gz ALTJBSBWBAAWAS-UHFFFAOYSA-N 0 0 415.463 5.569 50 0 HKAARN CCN(CC)c1ccc2cc(-c3csc(/C=C/c4ccccc4)n3)c(=O)oc2c1 ZINC000004116004 557515622 /nfs/dbraw/zinc/51/56/22/557515622.db2.gz HFNSDZNDVDTCEJ-JLHYYAGUSA-N 0 0 402.519 5.933 50 0 HKAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004116150 557515661 /nfs/dbraw/zinc/51/56/61/557515661.db2.gz JUSXDFVHEDSJFA-UHFFFAOYSA-N 0 0 404.554 5.817 50 0 HKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 ZINC000004116293 557515573 /nfs/dbraw/zinc/51/55/73/557515573.db2.gz OKHDNHWZNUVSRA-UHFFFAOYSA-N 0 0 417.534 5.968 50 0 HKAARN CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000004116369 557515835 /nfs/dbraw/zinc/51/58/35/557515835.db2.gz SGPMFLUAKUANHP-XMMPIXPASA-N 0 0 418.496 6.249 50 0 HKAARN CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000004116371 557515841 /nfs/dbraw/zinc/51/58/41/557515841.db2.gz SGPMFLUAKUANHP-DEOSSOPVSA-N 0 0 418.496 6.249 50 0 HKAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000004116372 557515851 /nfs/dbraw/zinc/51/58/51/557515851.db2.gz KSXJIFMTLCFDTP-HSZRJFAPSA-N 0 0 405.453 6.192 50 0 HKAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000004116373 557515863 /nfs/dbraw/zinc/51/58/63/557515863.db2.gz KSXJIFMTLCFDTP-QHCPKHFHSA-N 0 0 405.453 6.192 50 0 HKAARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004116578 557515825 /nfs/dbraw/zinc/51/58/25/557515825.db2.gz FMZWEUITGWZFFZ-UHFFFAOYSA-N 0 0 406.551 5.508 50 0 HKAARN CCCOc1ccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)cc1 ZINC000004116717 557515858 /nfs/dbraw/zinc/51/58/58/557515858.db2.gz PRFWTDXGDDVMSG-GYHWCHFESA-N 0 0 410.608 6.775 50 0 HKAARN COc1cccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1OC ZINC000004117069 568944333 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ZINC000004159304 557521439 /nfs/dbraw/zinc/52/14/39/557521439.db2.gz DOTYQQWIPJLMIR-NRFANRHFSA-N 0 0 410.336 6.513 50 0 HKAARN CCN(c1ccccc1)P(=N)(N(CC)c1ccccc1)N(CC)c1ccccc1 ZINC000004159309 568947384 /nfs/dbraw/zinc/94/73/84/568947384.db2.gz WZOLZBDNJVRQAN-UHFFFAOYSA-N 0 0 406.514 7.091 50 0 HKAARN CCN1c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c3cccc(c23)C1=O ZINC000004159345 568947334 /nfs/dbraw/zinc/94/73/34/568947334.db2.gz ZBSCRZQUOZPSFN-UHFFFAOYSA-N 0 0 406.485 5.591 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CC(C)(C)C4)c(Cl)c2)cc1 ZINC000004162260 557522109 /nfs/dbraw/zinc/52/21/09/557522109.db2.gz XKKWPHJJJRNYLA-UHFFFAOYSA-N 0 0 417.914 5.351 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004162434 568947342 /nfs/dbraw/zinc/94/73/42/568947342.db2.gz WTWQIXHQBVQRJZ-UHFFFAOYSA-N 0 0 400.434 5.336 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004162454 568947381 /nfs/dbraw/zinc/94/73/81/568947381.db2.gz IXRQSUMQTGDMKB-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 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ZINC000004162801 568947584 /nfs/dbraw/zinc/94/75/84/568947584.db2.gz CZDLGRBQKJYSRQ-OAQYLSRUSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c1 ZINC000004162804 568947523 /nfs/dbraw/zinc/94/75/23/568947523.db2.gz OPOCQISEHFHUIP-NRFANRHFSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c1 ZINC000004162807 568947513 /nfs/dbraw/zinc/94/75/13/568947513.db2.gz OPOCQISEHFHUIP-OAQYLSRUSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c(C)c1 ZINC000004162808 568947586 /nfs/dbraw/zinc/94/75/86/568947586.db2.gz DLABZKYRSUZGEE-NRFANRHFSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c(C)c1 ZINC000004162809 568947509 /nfs/dbraw/zinc/94/75/09/568947509.db2.gz DLABZKYRSUZGEE-OAQYLSRUSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c1 ZINC000004162810 568947500 /nfs/dbraw/zinc/94/75/00/568947500.db2.gz FDIRDBLQNAORIJ-NRFANRHFSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c1 ZINC000004162813 568947555 /nfs/dbraw/zinc/94/75/55/568947555.db2.gz FDIRDBLQNAORIJ-OAQYLSRUSA-N 0 0 406.507 5.105 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c(C)c1 ZINC000004162815 568947519 /nfs/dbraw/zinc/94/75/19/568947519.db2.gz FMZYJMAPVARLNA-NRFANRHFSA-N 0 0 420.534 5.414 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c(C)c1 ZINC000004162818 568947517 /nfs/dbraw/zinc/94/75/17/568947517.db2.gz FMZYJMAPVARLNA-OAQYLSRUSA-N 0 0 420.534 5.414 50 0 HKAARN CCc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000004162821 568947547 /nfs/dbraw/zinc/94/75/47/568947547.db2.gz GPPDMPXNLCPVOK-NRFANRHFSA-N 0 0 406.507 5.051 50 0 HKAARN CCc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1 ZINC000004162825 568947536 /nfs/dbraw/zinc/94/75/36/568947536.db2.gz GPPDMPXNLCPVOK-OAQYLSRUSA-N 0 0 406.507 5.051 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc3)sc2c1 ZINC000004163233 568947744 /nfs/dbraw/zinc/94/77/44/568947744.db2.gz BGALFPZAXIPJHH-UHFFFAOYSA-N 0 0 411.486 5.574 50 0 HKAARN Clc1ccc(CSc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 ZINC000004163614 568918370 /nfs/dbraw/zinc/91/83/70/568918370.db2.gz MRRYPQZWAQUFNA-UHFFFAOYSA-N 0 0 406.942 5.529 50 0 HKAARN COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(OC)c1OC ZINC000004164836 557522945 /nfs/dbraw/zinc/52/29/45/557522945.db2.gz FMRBNPYAAWHUMH-UHFFFAOYSA-N 0 0 412.489 5.855 50 0 HKAARN COc1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)oc1ccccc12 ZINC000004165878 557523163 /nfs/dbraw/zinc/52/31/63/557523163.db2.gz NENUYJSOQXAMEW-UHFFFAOYSA-N 0 0 404.447 5.467 50 0 HKAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 ZINC000004167065 568919579 /nfs/dbraw/zinc/91/95/79/568919579.db2.gz IHSQYJUMJVSJKV-UHFFFAOYSA-N 0 0 410.848 5.455 50 0 HKAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)c(F)c1 ZINC000004167068 568919530 /nfs/dbraw/zinc/91/95/30/568919530.db2.gz LJBONOADEAEOBH-UHFFFAOYSA-N 0 0 412.383 5.080 50 0 HKAARN O=C(CCCc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004167078 568919589 /nfs/dbraw/zinc/91/95/89/568919589.db2.gz UWADGRDGNMZIMR-UHFFFAOYSA-N 0 0 418.484 5.511 50 0 HKAARN Cc1ccc(-c2nsc(SCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 ZINC000004167383 568919562 /nfs/dbraw/zinc/91/95/62/568919562.db2.gz WQTADHKCVWUWKH-UHFFFAOYSA-N 0 0 412.565 5.162 50 0 HKAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000004167468 568918718 /nfs/dbraw/zinc/91/87/18/568918718.db2.gz ZOYLNYBSOHVXIE-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000004167469 568918720 /nfs/dbraw/zinc/91/87/20/568918720.db2.gz SEWJYZRBSGJTIP-UHFFFAOYSA-N 0 0 409.458 5.263 50 0 HKAARN Cc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4C)ns3)sc2c1 ZINC000004167491 568918740 /nfs/dbraw/zinc/91/87/40/568918740.db2.gz PNZGPSKRPBENEO-UHFFFAOYSA-N 0 0 412.565 5.162 50 0 HKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc2ccccc21 ZINC000004167503 568918746 /nfs/dbraw/zinc/91/87/46/568918746.db2.gz RXTJBPIRWZQWEK-UHFFFAOYSA-N 0 0 411.939 5.743 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c(C)c1 ZINC000004167506 568918713 /nfs/dbraw/zinc/91/87/13/568918713.db2.gz QKRNSQAMWXHQHB-UHFFFAOYSA-N 0 0 403.960 5.515 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000004167508 568918704 /nfs/dbraw/zinc/91/87/04/568918704.db2.gz IQVGHFYSDNVREU-UHFFFAOYSA-N 0 0 417.987 5.932 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 ZINC000004167530 568918705 /nfs/dbraw/zinc/91/87/05/568918705.db2.gz RBKJPJUWRNBUNJ-UHFFFAOYSA-N 0 0 413.568 5.287 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCSc4ccccc4)cc3)sc2c1 ZINC000004167556 568918770 /nfs/dbraw/zinc/91/87/70/568918770.db2.gz RHVMYBQTLBGVRR-UHFFFAOYSA-N 0 0 404.560 6.393 50 0 HKAARN O=C(CCSc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000004167557 568918706 /nfs/dbraw/zinc/91/87/06/568918706.db2.gz BSXWYIBJAOJRQG-UHFFFAOYSA-N 0 0 416.571 6.598 50 0 HKAARN O=C(CCSc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000004167559 568918732 /nfs/dbraw/zinc/91/87/32/568918732.db2.gz BPCQBRWSQJISNM-UHFFFAOYSA-N 0 0 408.504 5.037 50 0 HKAARN CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)c3cccc(c23)C1=O ZINC000004167563 568918727 /nfs/dbraw/zinc/91/87/27/568918727.db2.gz OOSRPEHWUGBZPA-UHFFFAOYSA-N 0 0 415.276 5.144 50 0 HKAARN O=C(CCc1ccccc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000004167568 568919384 /nfs/dbraw/zinc/91/93/84/568919384.db2.gz IBAVDOBMXFOIHT-UHFFFAOYSA-N 0 0 418.587 6.475 50 0 HKAARN CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc32)ccc1N1CCCCC1 ZINC000004168400 132272227 /nfs/dbraw/zinc/27/22/27/132272227.db2.gz KODQHCBJULSTOL-UHFFFAOYSA-N 0 0 404.514 5.034 50 0 HKAARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21 ZINC000004168514 557523631 /nfs/dbraw/zinc/52/36/31/557523631.db2.gz NYRNLGVFGWSVEW-ZHACJKMWSA-N 0 0 403.865 6.552 50 0 HKAARN O=C(Nc1nc(-c2csc(NC(=O)C3CCCCC3)n2)cs1)C1CCCCC1 ZINC000004173510 568921977 /nfs/dbraw/zinc/92/19/77/568921977.db2.gz CMTUSJAIJRPBDY-UHFFFAOYSA-N 0 0 418.588 5.304 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 ZINC000004173554 568922009 /nfs/dbraw/zinc/92/20/09/568922009.db2.gz PVPAMIWDPWNPOC-UHFFFAOYSA-N 0 0 412.511 5.259 50 0 HKAARN COc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)n2)c(OC)c1 ZINC000004173557 568922066 /nfs/dbraw/zinc/92/20/66/568922066.db2.gz DOKDEMPJZYMKFS-UHFFFAOYSA-N 0 0 404.491 5.162 50 0 HKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccc(Cl)cc1)c1c(ccc3ccccc31)N2 ZINC000004173626 568922033 /nfs/dbraw/zinc/92/20/33/568922033.db2.gz XAHOLWGYDPFJPH-QFIPXVFZSA-N 0 0 409.872 6.837 50 0 HKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(Cl)cc1)c1c(ccc3ccccc31)N2 ZINC000004173629 568922041 /nfs/dbraw/zinc/92/20/41/568922041.db2.gz XAHOLWGYDPFJPH-JOCHJYFZSA-N 0 0 409.872 6.837 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccc(CC)cc1)c1ccccc1 ZINC000004173965 568948328 /nfs/dbraw/zinc/94/83/28/568948328.db2.gz XHPYJQIJTHHYFK-QHCPKHFHSA-N 0 0 403.503 7.186 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc(CC)cc1)c1ccccc1 ZINC000004173966 568948325 /nfs/dbraw/zinc/94/83/25/568948325.db2.gz XHPYJQIJTHHYFK-HSZRJFAPSA-N 0 0 403.503 7.186 50 0 HKAARN Cc1nc2c(ccc3nc(NC(=O)c4cccc(Br)c4)sc32)s1 ZINC000004173991 568948364 /nfs/dbraw/zinc/94/83/64/568948364.db2.gz LDRWFQNTWFUEBT-UHFFFAOYSA-N 0 0 404.314 5.229 50 0 HKAARN Cc1nc2c(ccc3nc(NC(=O)c4ccccc4Br)sc32)s1 ZINC000004173992 568948295 /nfs/dbraw/zinc/94/82/95/568948295.db2.gz SYAKNKDKRALJQK-UHFFFAOYSA-N 0 0 404.314 5.229 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004174014 557524447 /nfs/dbraw/zinc/52/44/47/557524447.db2.gz DEAQWKMUIFQHOD-UHFFFAOYSA-N 0 0 412.965 5.292 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)cc1 ZINC000004174063 568948357 /nfs/dbraw/zinc/94/83/57/568948357.db2.gz HHDDIGSURDWFGG-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)cc1 ZINC000004174064 568948360 /nfs/dbraw/zinc/94/83/60/568948360.db2.gz HHDDIGSURDWFGG-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1nc2c(ccc3nc(NC(=O)c4ccc(-c5ccccc5)cc4)sc32)s1 ZINC000004174123 568948228 /nfs/dbraw/zinc/94/82/28/568948228.db2.gz HRIARUFAJOMDMW-UHFFFAOYSA-N 0 0 401.516 6.134 50 0 HKAARN Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc32)s1 ZINC000004174130 568948333 /nfs/dbraw/zinc/94/83/33/568948333.db2.gz ZEXONMLNHPQCBG-UHFFFAOYSA-N 0 0 415.543 5.985 50 0 aggregator HKAARN CCCc1ccc(Oc2c(=O)c3ccc(OCC)c(C)c3oc2C(F)(F)F)cc1 ZINC000004174194 557524452 /nfs/dbraw/zinc/52/44/52/557524452.db2.gz WPCNJFPSUXUPMX-UHFFFAOYSA-N 0 0 406.400 6.264 50 0 biogenic HKAARN COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccccc3Cl)C2)cc1 ZINC000004174208 568948487 /nfs/dbraw/zinc/94/84/87/568948487.db2.gz UYYRUODZRHFYEG-QFIPXVFZSA-N 0 0 408.860 5.479 50 0 HKAARN COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000004174209 568948484 /nfs/dbraw/zinc/94/84/84/568948484.db2.gz UYYRUODZRHFYEG-JOCHJYFZSA-N 0 0 408.860 5.479 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004174210 568948402 /nfs/dbraw/zinc/94/84/02/568948402.db2.gz WTOSTCGRIHHPRP-VWLOTQADSA-N 0 0 412.533 5.984 50 0 HKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004174211 568948425 /nfs/dbraw/zinc/94/84/25/568948425.db2.gz WTOSTCGRIHHPRP-RUZDIDTESA-N 0 0 412.533 5.984 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2C1=O ZINC000004174997 557524648 /nfs/dbraw/zinc/52/46/48/557524648.db2.gz QCLDUUXNUVDQEN-ZDWFVDTJSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2C1=O ZINC000004175008 557524568 /nfs/dbraw/zinc/52/45/68/557524568.db2.gz QCLDUUXNUVDQEN-HFXUHXBXSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2C1=O ZINC000004175014 557524652 /nfs/dbraw/zinc/52/46/52/557524652.db2.gz QCLDUUXNUVDQEN-XKDCRVNJSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004175029 557524670 /nfs/dbraw/zinc/52/46/70/557524670.db2.gz CSOLZNRRMSQPLG-HCLVMJGWSA-N 0 0 419.521 5.413 50 0 biogenic HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004175037 557524667 /nfs/dbraw/zinc/52/46/67/557524667.db2.gz CSOLZNRRMSQPLG-LLBVYWAGSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004175046 557524550 /nfs/dbraw/zinc/52/45/50/557524550.db2.gz CSOLZNRRMSQPLG-XTQVGHSUSA-N 0 0 419.521 5.413 50 0 biogenic HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 ZINC000004175051 557524546 /nfs/dbraw/zinc/52/45/46/557524546.db2.gz CSOLZNRRMSQPLG-WGGBDISSSA-N 0 0 419.521 5.413 50 0 HKAARN Nc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004175491 568948395 /nfs/dbraw/zinc/94/83/95/568948395.db2.gz HHEKIAWTLJKCOX-UHFFFAOYSA-N 0 0 421.488 5.887 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccccc1 ZINC000004175914 568948431 /nfs/dbraw/zinc/94/84/31/568948431.db2.gz VJRUCPFYRZUELB-UHFFFAOYSA-N 0 0 413.502 5.664 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 ZINC000004176038 568948680 /nfs/dbraw/zinc/94/86/80/568948680.db2.gz NANYAWSYKDWVPY-UHFFFAOYSA-N 0 0 407.539 5.359 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 ZINC000004176045 568948660 /nfs/dbraw/zinc/94/86/60/568948660.db2.gz JUNHCDNDUIZIHE-UHFFFAOYSA-N 0 0 407.539 5.359 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1 ZINC000004176053 568948651 /nfs/dbraw/zinc/94/86/51/568948651.db2.gz GVCUXXIZSKRLKI-UHFFFAOYSA-N 0 0 421.566 5.667 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1 ZINC000004176060 568948612 /nfs/dbraw/zinc/94/86/12/568948612.db2.gz PKUAGMVMDGVDIL-UHFFFAOYSA-N 0 0 421.566 5.667 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)c(C)c1 ZINC000004176075 568948637 /nfs/dbraw/zinc/94/86/37/568948637.db2.gz UICWTFYTVBPHHO-UHFFFAOYSA-N 0 0 405.567 5.786 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2 ZINC000004176077 568948682 /nfs/dbraw/zinc/94/86/82/568948682.db2.gz LUNRIVSILFUFAH-UHFFFAOYSA-N 0 0 403.429 5.199 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)cc1 ZINC000004176080 568948669 /nfs/dbraw/zinc/94/86/69/568948669.db2.gz WSFRTUNBZBMZBF-UHFFFAOYSA-N 0 0 403.429 5.199 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c(C)c1 ZINC000004176082 568948684 /nfs/dbraw/zinc/94/86/84/568948684.db2.gz DULKTWQTRZQXLP-UHFFFAOYSA-N 0 0 417.456 5.507 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2 ZINC000004176084 568948606 /nfs/dbraw/zinc/94/86/06/568948606.db2.gz BQIBZDPSJBMITM-UHFFFAOYSA-N 0 0 403.429 5.199 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)cc1 ZINC000004176087 568948655 /nfs/dbraw/zinc/94/86/55/568948655.db2.gz QAGVXXDPBWBSCT-UHFFFAOYSA-N 0 0 403.429 5.199 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)c(C)c1 ZINC000004176089 568948663 /nfs/dbraw/zinc/94/86/63/568948663.db2.gz REUMEQJBKWHVJP-UHFFFAOYSA-N 0 0 417.456 5.507 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)CSC2 ZINC000004176091 568948671 /nfs/dbraw/zinc/94/86/71/568948671.db2.gz TXXWGISAINPTBD-UHFFFAOYSA-N 0 0 404.322 5.487 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)cc1 ZINC000004176094 568948693 /nfs/dbraw/zinc/94/86/93/568948693.db2.gz GZGNMUOHBYSJSZ-UHFFFAOYSA-N 0 0 404.322 5.487 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2 ZINC000004176096 568948653 /nfs/dbraw/zinc/94/86/53/568948653.db2.gz SMRIWYRVOBJDNU-UHFFFAOYSA-N 0 0 404.322 5.487 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CSC3)cc1 ZINC000004176098 568948639 /nfs/dbraw/zinc/94/86/39/568948639.db2.gz UHDZWIVWYZYLHT-UHFFFAOYSA-N 0 0 404.322 5.487 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)c(C)c1 ZINC000004176112 568948600 /nfs/dbraw/zinc/94/86/00/568948600.db2.gz YMPYUNREGKXORF-UHFFFAOYSA-N 0 0 401.894 5.281 50 0 HKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)c1 ZINC000004176114 568948689 /nfs/dbraw/zinc/94/86/89/568948689.db2.gz IATYWAXDNZWPJP-UHFFFAOYSA-N 0 0 401.894 5.281 50 0 HKAARN CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 ZINC000004176186 568948656 /nfs/dbraw/zinc/94/86/56/568948656.db2.gz QKIYJNQVAAFUFG-UHFFFAOYSA-N 0 0 407.539 5.786 50 0 HKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)CC1 ZINC000004176195 568948687 /nfs/dbraw/zinc/94/86/87/568948687.db2.gz BNESZPFZTWRTRH-UHFFFAOYSA-N 0 0 411.615 6.171 50 0 HKAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)CC1 ZINC000004176198 568948611 /nfs/dbraw/zinc/94/86/11/568948611.db2.gz YHMMGYOPRRSZHO-UHFFFAOYSA-N 0 0 411.615 6.171 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)c(C)c1 ZINC000004176203 568948647 /nfs/dbraw/zinc/94/86/47/568948647.db2.gz ZNWSFEWSIDVWQR-UHFFFAOYSA-N 0 0 407.583 5.391 50 0 HKAARN Cc1ccccc1-n1nc2c(c1NC(=O)CC13CC4CC(CC(C4)C1)C3)CSC2 ZINC000004176204 568948649 /nfs/dbraw/zinc/94/86/49/568948649.db2.gz RTYPKTPSIXEFLN-UHFFFAOYSA-N 0 0 407.583 5.473 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)c(C)c1 ZINC000004176205 568948608 /nfs/dbraw/zinc/94/86/08/568948608.db2.gz GKERDQZALIYITJ-UHFFFAOYSA-N 0 0 421.610 5.781 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccco1 ZINC000004176235 568948623 /nfs/dbraw/zinc/94/86/23/568948623.db2.gz MQERIYGRHGZWMP-UHFFFAOYSA-N 0 0 403.463 5.257 50 0 HKAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1ccccc1Br ZINC000004176255 568948685 /nfs/dbraw/zinc/94/86/85/568948685.db2.gz QSADSXGMASTQGR-UHFFFAOYSA-N 0 0 409.308 5.563 50 0 HKAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1cccc(Br)c1 ZINC000004176256 568948667 /nfs/dbraw/zinc/94/86/67/568948667.db2.gz MXWRXHOKMYEIHE-UHFFFAOYSA-N 0 0 409.308 5.563 50 0 HKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Cl)cc1Cl ZINC000004176315 568948775 /nfs/dbraw/zinc/94/87/75/568948775.db2.gz SHOBXSLVQJFOSS-UHFFFAOYSA-N 0 0 406.319 5.979 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C(c1ccccc1)c1ccccc1 ZINC000004176514 557524875 /nfs/dbraw/zinc/52/48/75/557524875.db2.gz TVXGPQOKJMYRQC-UHFFFAOYSA-N 0 0 410.951 6.296 50 0 HKAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1nc2ccccc2s1 ZINC000004176527 568948841 /nfs/dbraw/zinc/94/88/41/568948841.db2.gz NJGXBJGJHXFNII-UHFFFAOYSA-N 0 0 413.527 6.339 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 ZINC000004176567 568948871 /nfs/dbraw/zinc/94/88/71/568948871.db2.gz WBBMGNIMSNVMAM-PZJWPPBQSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 ZINC000004176571 568948805 /nfs/dbraw/zinc/94/88/05/568948805.db2.gz WBBMGNIMSNVMAM-TZIWHRDSSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 ZINC000004176640 557524908 /nfs/dbraw/zinc/52/49/08/557524908.db2.gz SXBBPJLDOJWJHX-PZJWPPBQSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 ZINC000004176644 557524833 /nfs/dbraw/zinc/52/48/33/557524833.db2.gz SXBBPJLDOJWJHX-TZIWHRDSSA-N 0 0 406.283 5.086 50 0 HKAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccccc1Cl ZINC000004176779 568948772 /nfs/dbraw/zinc/94/87/72/568948772.db2.gz SZWZVWDZJJFXBN-OAQYLSRUSA-N 0 0 415.967 5.443 50 0 HKAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@H]1c1ccccc1Cl ZINC000004176780 568948824 /nfs/dbraw/zinc/94/88/24/568948824.db2.gz SZWZVWDZJJFXBN-NRFANRHFSA-N 0 0 415.967 5.443 50 0 HKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004176788 568948797 /nfs/dbraw/zinc/94/87/97/568948797.db2.gz LJPKRQGYSWNQIA-SANMLTNESA-N 0 0 420.516 5.545 50 0 HKAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004176789 568948748 /nfs/dbraw/zinc/94/87/48/568948748.db2.gz LJPKRQGYSWNQIA-AREMUKBSSA-N 0 0 420.516 5.545 50 0 HKAARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000004176801 568948795 /nfs/dbraw/zinc/94/87/95/568948795.db2.gz LHNYQAXINGMVJO-SANMLTNESA-N 0 0 420.516 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/nfs/dbraw/zinc/95/06/06/568950606.db2.gz UDFMTVNKCPKNOA-UHFFFAOYSA-N 0 0 400.349 6.714 50 0 HKAARN CCOC(=O)c1ccc(NC(=S)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000004193137 568950542 /nfs/dbraw/zinc/95/05/42/568950542.db2.gz VAOWTJYNPWMCQR-UHFFFAOYSA-N 0 0 410.564 5.324 50 0 HKAARN Cc1ccc(Nc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000004193543 568950741 /nfs/dbraw/zinc/95/07/41/568950741.db2.gz YRFAUKQXLFFGPE-UHFFFAOYSA-N 0 0 408.910 5.773 50 0 HKAARN Cc1ccc(Nc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004193544 568950746 /nfs/dbraw/zinc/95/07/46/568950746.db2.gz JQFLVVWHAZABJG-UHFFFAOYSA-N 0 0 402.519 5.736 50 0 HKAARN CCOc1ccc(Nc2c3ccccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000004193546 568950723 /nfs/dbraw/zinc/95/07/23/568950723.db2.gz BPQPOEFMAWPPAZ-UHFFFAOYSA-N 0 0 404.491 5.210 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc(C)c(C)c2)cc1 ZINC000004193547 568950751 /nfs/dbraw/zinc/95/07/51/568950751.db2.gz UQYZPTLZXYLTSO-UHFFFAOYSA-N 0 0 416.546 6.045 50 0 HKAARN COc1cccc(Nc2c3ccccc3ncc2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004193562 568950748 /nfs/dbraw/zinc/95/07/48/568950748.db2.gz QBKVDPZVSOAOCV-UHFFFAOYSA-N 0 0 404.491 5.128 50 0 HKAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)c(C)c3)c2c1 ZINC000004193568 568950738 /nfs/dbraw/zinc/95/07/38/568950738.db2.gz PFYKTEVPZLEBFO-UHFFFAOYSA-N 0 0 418.518 5.437 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=S)N(Cc1ccccc1)Cc1cccnc1 ZINC000004193898 568950929 /nfs/dbraw/zinc/95/09/29/568950929.db2.gz RWAMWNMUCVXYAP-UHFFFAOYSA-N 0 0 411.958 5.451 50 0 HKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000004193923 557527192 /nfs/dbraw/zinc/52/71/92/557527192.db2.gz XJHNKDJZHKIJLU-FQEVSTJZSA-N 0 0 404.940 5.498 50 0 HKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000004193925 557527249 /nfs/dbraw/zinc/52/72/49/557527249.db2.gz XJHNKDJZHKIJLU-HXUWFJFHSA-N 0 0 404.940 5.498 50 0 HKAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC(Cc5ccccc5)CC4)sc3c2c1 ZINC000004193935 568950995 /nfs/dbraw/zinc/95/09/95/568950995.db2.gz ROBSZPWEFOZSFZ-UHFFFAOYSA-N 0 0 416.546 5.146 50 0 HKAARN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004194038 568933820 /nfs/dbraw/zinc/93/38/20/568933820.db2.gz HVYDZPHULJLHIG-MHZLTWQESA-N 0 0 412.577 6.192 50 0 HKAARN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004194039 568933718 /nfs/dbraw/zinc/93/37/18/568933718.db2.gz HVYDZPHULJLHIG-HHHXNRCGSA-N 0 0 412.577 6.192 50 0 HKAARN CCOc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)ccc1O ZINC000004194521 568951030 /nfs/dbraw/zinc/95/10/30/568951030.db2.gz KPEWYTCFJRUIFG-UHFFFAOYSA-N 0 0 410.517 6.551 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCS[C@@H]1c1ccccc1Cl ZINC000004194558 568950895 /nfs/dbraw/zinc/95/08/95/568950895.db2.gz IHLZHKLRUYJUHQ-OAHLLOKOSA-N 0 0 408.759 5.083 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCS[C@H]1c1ccccc1Cl ZINC000004194559 568951009 /nfs/dbraw/zinc/95/10/09/568951009.db2.gz IHLZHKLRUYJUHQ-HNNXBMFYSA-N 0 0 408.759 5.083 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000004194665 568951129 /nfs/dbraw/zinc/95/11/29/568951129.db2.gz ADHBDDQOJPPWQF-UHFFFAOYSA-N 0 0 402.519 6.395 50 0 HKAARN CCCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000004194666 568951115 /nfs/dbraw/zinc/95/11/15/568951115.db2.gz IIAJHCJGCSOMJL-UHFFFAOYSA-N 0 0 416.546 6.785 50 0 HKAARN CCCCCOc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000004194667 568951077 /nfs/dbraw/zinc/95/10/77/568951077.db2.gz OQDVLTCTXIONBK-UHFFFAOYSA-N 0 0 411.552 6.036 50 0 HKAARN CCCCCOc1ccc(C(=O)Nc2c3ccccc3sc2C(=O)OCC)cc1 ZINC000004194681 568951092 /nfs/dbraw/zinc/95/10/92/568951092.db2.gz ODUGWGSZQGWVDJ-UHFFFAOYSA-N 0 0 411.523 5.899 50 0 HKAARN CCCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1 ZINC000004194684 568951139 /nfs/dbraw/zinc/95/11/39/568951139.db2.gz GUXIZDJZZQEHJF-UHFFFAOYSA-N 0 0 400.478 6.316 50 0 HKAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1C ZINC000004194699 568934812 /nfs/dbraw/zinc/93/48/12/568934812.db2.gz AEPCOHBUYNNOQL-UHFFFAOYSA-N 0 0 416.502 5.701 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Br)c1 ZINC000004194717 568934822 /nfs/dbraw/zinc/93/48/22/568934822.db2.gz USERYZIBCOXQII-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000004194722 557527371 /nfs/dbraw/zinc/52/73/71/557527371.db2.gz KNPBBUZUCZREMN-UHFFFAOYSA-N 0 0 410.498 6.377 50 0 HKAARN COc1ccccc1-c1coc2cc(O[C@@H](C)C(=O)OC3CCCCC3)ccc2c1=O ZINC000004194972 557527390 /nfs/dbraw/zinc/52/73/90/557527390.db2.gz WFUPWUZYRAOBKI-INIZCTEOSA-N 0 0 422.477 5.112 50 0 biogenic HKAARN COc1ccccc1-c1coc2cc(O[C@H](C)C(=O)OC3CCCCC3)ccc2c1=O ZINC000004194973 557527480 /nfs/dbraw/zinc/52/74/80/557527480.db2.gz WFUPWUZYRAOBKI-MRXNPFEDSA-N 0 0 422.477 5.112 50 0 biogenic HKAARN Cc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000004195741 568951316 /nfs/dbraw/zinc/95/13/16/568951316.db2.gz AECWXAOXVZRNSG-UHFFFAOYSA-N 0 0 410.473 5.418 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000004195742 568951382 /nfs/dbraw/zinc/95/13/82/568951382.db2.gz PEVYGONEWHRGKI-IZZDOVSWSA-N 0 0 409.272 6.454 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000004195743 568951260 /nfs/dbraw/zinc/95/12/60/568951260.db2.gz JOOYPKRHTHZXRM-IZZDOVSWSA-N 0 0 409.272 6.454 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000004195744 557527661 /nfs/dbraw/zinc/52/76/61/557527661.db2.gz IZNIPJRJLRABGX-IZZDOVSWSA-N 0 0 409.272 6.454 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(C)c1 ZINC000004195751 568951314 /nfs/dbraw/zinc/95/13/14/568951314.db2.gz KWPMSADUNLVMQA-UHFFFAOYSA-N 0 0 402.519 5.906 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 ZINC000004195754 568951267 /nfs/dbraw/zinc/95/12/67/568951267.db2.gz YMXNFTCCIJIDSH-UHFFFAOYSA-N 0 0 402.519 5.852 50 0 HKAARN CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCCC2 ZINC000004195853 557527678 /nfs/dbraw/zinc/52/76/78/557527678.db2.gz MTZJNMNZTUDRAY-UHFFFAOYSA-N 0 0 406.551 6.017 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1 ZINC000004195910 557527693 /nfs/dbraw/zinc/52/76/93/557527693.db2.gz MAKRIIJKNQQQED-UHFFFAOYSA-N 0 0 402.498 5.024 50 0 HKAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(Cl)cc2Cl)c1C(N)=O ZINC000004195939 557527675 /nfs/dbraw/zinc/52/76/75/557527675.db2.gz RYPSOQJPKVGQND-UHFFFAOYSA-N 0 0 419.333 5.305 50 0 HKAARN CC(=O)c1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000004195941 557527666 /nfs/dbraw/zinc/52/76/66/557527666.db2.gz TUIGEVYBZFYFJT-UHFFFAOYSA-N 0 0 422.525 5.400 50 0 HKAARN O=C(c1cccs1)N(C(=O)c1cccs1)c1cc(C(F)(F)F)ccc1Cl ZINC000004195981 557527708 /nfs/dbraw/zinc/52/77/08/557527708.db2.gz SSJJCGKMWDFDSP-UHFFFAOYSA-N 0 0 415.845 5.969 50 0 HKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004196075 557527668 /nfs/dbraw/zinc/52/76/68/557527668.db2.gz YLSRYCBZPLBHNG-UHFFFAOYSA-N 0 0 413.949 5.343 50 0 HKAARN Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004199056 568951244 /nfs/dbraw/zinc/95/12/44/568951244.db2.gz YDDIEUHUFWSALF-MUUNZHRXSA-N 0 0 416.524 6.908 50 0 HKAARN Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004199057 568951236 /nfs/dbraw/zinc/95/12/36/568951236.db2.gz YDDIEUHUFWSALF-NDEPHWFRSA-N 0 0 416.524 6.908 50 0 HKAARN CCCCOc1ccc(N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 ZINC000004199135 132273108 /nfs/dbraw/zinc/27/31/08/132273108.db2.gz KRUROKQRTJGGKP-UHFFFAOYSA-N 0 0 414.288 6.126 50 0 HKAARN O=C1c2cccc3c(N4CCCC4)ccc(c32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000004199284 560603603 /nfs/dbraw/zinc/60/36/03/560603603.db2.gz VLZGKNXYHXOITC-UHFFFAOYSA-N 0 0 411.288 5.547 50 0 HKAARN Fc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004199446 557528155 /nfs/dbraw/zinc/52/81/55/557528155.db2.gz GNVRHFSSIOAAAL-NRFANRHFSA-N 0 0 413.265 6.083 50 0 HKAARN Fc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004199447 557528150 /nfs/dbraw/zinc/52/81/50/557528150.db2.gz GNVRHFSSIOAAAL-OAQYLSRUSA-N 0 0 413.265 6.083 50 0 HKAARN Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004199448 557528104 /nfs/dbraw/zinc/52/81/04/557528104.db2.gz IEQQUVNABVPZCJ-FQEVSTJZSA-N 0 0 403.259 6.627 50 0 HKAARN Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004199449 557528145 /nfs/dbraw/zinc/52/81/45/557528145.db2.gz IEQQUVNABVPZCJ-HXUWFJFHSA-N 0 0 403.259 6.627 50 0 HKAARN Clc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000004199452 557528108 /nfs/dbraw/zinc/52/81/08/557528108.db2.gz OVWFORXRFZTXCE-NRFANRHFSA-N 0 0 411.730 6.458 50 0 HKAARN Clc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000004199453 557528151 /nfs/dbraw/zinc/52/81/51/557528151.db2.gz OVWFORXRFZTXCE-OAQYLSRUSA-N 0 0 411.730 6.458 50 0 HKAARN COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000004199473 557528154 /nfs/dbraw/zinc/52/81/54/557528154.db2.gz KAPFBUBIXSNQSQ-QFIPXVFZSA-N 0 0 407.311 5.813 50 0 HKAARN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000004199474 557528138 /nfs/dbraw/zinc/52/81/38/557528138.db2.gz KAPFBUBIXSNQSQ-JOCHJYFZSA-N 0 0 407.311 5.813 50 0 HKAARN Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004199488 557528137 /nfs/dbraw/zinc/52/81/37/557528137.db2.gz LQDQDAPZEPWKTM-NRFANRHFSA-N 0 0 401.724 7.003 50 0 HKAARN Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004199489 557528120 /nfs/dbraw/zinc/52/81/20/557528120.db2.gz LQDQDAPZEPWKTM-OAQYLSRUSA-N 0 0 401.724 7.003 50 0 HKAARN C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000004199606 557528110 /nfs/dbraw/zinc/52/81/10/557528110.db2.gz GEDYDMDWVRNOIZ-MTIDIVMFSA-N 0 0 412.618 5.576 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1CC13CC4CC(CC(C4)C1)C3)C1c3ccccc3C2c2ccccc21 ZINC000004199620 557528342 /nfs/dbraw/zinc/52/83/42/557528342.db2.gz LMUGMGXUCDYYGJ-RLJAIPBVSA-N 0 0 423.556 5.095 50 0 HKAARN 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CCCCCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 ZINC000004280224 568958752 /nfs/dbraw/zinc/95/87/52/568958752.db2.gz UFLBZDQKNRAOEZ-JOCHJYFZSA-N 0 0 423.582 5.077 50 0 HKAARN CCCCCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 ZINC000004280225 568958725 /nfs/dbraw/zinc/95/87/25/568958725.db2.gz UFLBZDQKNRAOEZ-QFIPXVFZSA-N 0 0 423.582 5.077 50 0 HKAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000004280305 568958675 /nfs/dbraw/zinc/95/86/75/568958675.db2.gz RRPWBJYIJOLQJU-QHCPKHFHSA-N 0 0 410.477 5.138 50 0 HKAARN CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000004280306 568958705 /nfs/dbraw/zinc/95/87/05/568958705.db2.gz RRPWBJYIJOLQJU-HSZRJFAPSA-N 0 0 410.477 5.138 50 0 HKAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004280307 568958642 /nfs/dbraw/zinc/95/86/42/568958642.db2.gz OAQLKYHDJXVXTR-QFIPXVFZSA-N 0 0 410.477 5.220 50 0 HKAARN CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004280308 568958639 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COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000004281991 557536006 /nfs/dbraw/zinc/53/60/06/557536006.db2.gz RNYZHOIMWLEEBR-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000004281992 557536000 /nfs/dbraw/zinc/53/60/00/557536000.db2.gz RNYZHOIMWLEEBR-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004282000 568959146 /nfs/dbraw/zinc/95/91/46/568959146.db2.gz SKFGCOYVSPGRHC-XUZZJYLKSA-N 0 0 422.912 6.354 50 0 HKAARN CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004282001 568959023 /nfs/dbraw/zinc/95/90/23/568959023.db2.gz SKFGCOYVSPGRHC-URXFXBBRSA-N 0 0 422.912 6.354 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004282005 568959136 /nfs/dbraw/zinc/95/91/36/568959136.db2.gz YRTQDPXEEUNDKX-NZQKXSOJSA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 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ZINC000004309619 569071192 /nfs/dbraw/zinc/07/11/92/569071192.db2.gz DSVYKWHOBBCSNO-IBGZPJMESA-N 0 0 413.315 5.272 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCC2)cc1 ZINC000004309620 569071179 /nfs/dbraw/zinc/07/11/79/569071179.db2.gz DSVYKWHOBBCSNO-LJQANCHMSA-N 0 0 413.315 5.272 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 ZINC000004309621 557538465 /nfs/dbraw/zinc/53/84/65/557538465.db2.gz OITZGPRIRGBLFZ-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 ZINC000004309622 557538741 /nfs/dbraw/zinc/53/87/41/557538741.db2.gz OITZGPRIRGBLFZ-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004309623 557538849 /nfs/dbraw/zinc/53/88/49/557538849.db2.gz QLQLPMGTAIPFBW-PGRDOPGGSA-N 0 0 408.910 5.462 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004309624 557538819 /nfs/dbraw/zinc/53/88/19/557538819.db2.gz QLQLPMGTAIPFBW-AVRDEDQJSA-N 0 0 408.910 5.462 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](C1CCCCC1)O2 ZINC000004309627 557538837 /nfs/dbraw/zinc/53/88/37/557538837.db2.gz VPCLSNRAGIGHQA-FXAWDEMLSA-N 0 0 417.372 5.961 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](C1CCCCC1)O2 ZINC000004309628 557538823 /nfs/dbraw/zinc/53/88/23/557538823.db2.gz VPCLSNRAGIGHQA-YLJYHZDGSA-N 0 0 417.372 5.961 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004309639 557538766 /nfs/dbraw/zinc/53/87/66/557538766.db2.gz SMEZCCDUTACTOW-LADGPHEKSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004309640 557538779 /nfs/dbraw/zinc/53/87/79/557538779.db2.gz SMEZCCDUTACTOW-ISKFKSNPSA-N 0 0 404.897 5.899 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000004309641 557538840 /nfs/dbraw/zinc/53/88/40/557538840.db2.gz MSRGQTMOJFCWBQ-FQEVSTJZSA-N 0 0 411.343 5.961 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCCC2)cc1 ZINC000004309642 557538759 /nfs/dbraw/zinc/53/87/59/557538759.db2.gz MSRGQTMOJFCWBQ-HXUWFJFHSA-N 0 0 411.343 5.961 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000004309645 569071200 /nfs/dbraw/zinc/07/12/00/569071200.db2.gz UHOWCOKHCPMTAJ-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000004309646 569071163 /nfs/dbraw/zinc/07/11/63/569071163.db2.gz UHOWCOKHCPMTAJ-UPVQGACJSA-N 0 0 420.896 5.600 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004309649 557538815 /nfs/dbraw/zinc/53/88/15/557538815.db2.gz HYFDAIRVJVJFRB-XUZZJYLKSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004309650 557538794 /nfs/dbraw/zinc/53/87/94/557538794.db2.gz HYFDAIRVJVJFRB-URXFXBBRSA-N 0 0 402.881 5.401 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004309659 557538827 /nfs/dbraw/zinc/53/88/27/557538827.db2.gz KNTQJDOEFMYBNM-PKOBYXMFSA-N 0 0 405.723 5.628 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004309660 557538852 /nfs/dbraw/zinc/53/88/52/557538852.db2.gz KNTQJDOEFMYBNM-HKUYNNGSSA-N 0 0 405.723 5.628 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004309665 557538799 /nfs/dbraw/zinc/53/87/99/557538799.db2.gz UZBSMHIUMISVQV-JTHBVZDNSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004309666 557538751 /nfs/dbraw/zinc/53/87/51/557538751.db2.gz UZBSMHIUMISVQV-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004309669 557538791 /nfs/dbraw/zinc/53/87/91/557538791.db2.gz CJWZLBHPGIHKDP-PXNSSMCTSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000004309670 557538809 /nfs/dbraw/zinc/53/88/09/557538809.db2.gz CJWZLBHPGIHKDP-XLIONFOSSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccccc1)O2 ZINC000004309673 557538787 /nfs/dbraw/zinc/53/87/87/557538787.db2.gz BIGXTADTKUVWKZ-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccccc1)O2 ZINC000004309674 557538861 /nfs/dbraw/zinc/53/88/61/557538861.db2.gz BIGXTADTKUVWKZ-PXNSSMCTSA-N 0 0 411.324 5.753 50 0 HKAARN COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1C ZINC000004309808 557539029 /nfs/dbraw/zinc/53/90/29/557539029.db2.gz WDWTWPUJMRDTAP-CIAFOILYSA-N 0 0 417.436 5.066 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(-c4ccccc4)cc3)sc1C(C)(C)N2 ZINC000004309809 557539093 /nfs/dbraw/zinc/53/90/93/557539093.db2.gz PXMVCHZNKXXTIF-UHFFFAOYSA-N 0 0 414.599 7.571 50 0 HKAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(C)cc2)cc1 ZINC000004309847 568960670 /nfs/dbraw/zinc/96/06/70/568960670.db2.gz CWWHHWLQIAIWGA-JOCHJYFZSA-N 0 0 418.459 5.337 50 0 HKAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(C)cc2)cc1 ZINC000004309848 568960688 /nfs/dbraw/zinc/96/06/88/568960688.db2.gz CWWHHWLQIAIWGA-QFIPXVFZSA-N 0 0 418.459 5.337 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000004310004 557539104 /nfs/dbraw/zinc/53/91/04/557539104.db2.gz YMKNMDVKDUAXSZ-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000004310005 557539026 /nfs/dbraw/zinc/53/90/26/557539026.db2.gz YMKNMDVKDUAXSZ-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004310010 557539007 /nfs/dbraw/zinc/53/90/07/557539007.db2.gz KTJNUTABNDCFOS-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004310011 557539038 /nfs/dbraw/zinc/53/90/38/557539038.db2.gz KTJNUTABNDCFOS-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 ZINC000004310751 568960835 /nfs/dbraw/zinc/96/08/35/568960835.db2.gz WXLQTQPELMKKKT-HTHCSZCSSA-N 0 0 424.544 6.293 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 ZINC000004310752 568960787 /nfs/dbraw/zinc/96/07/87/568960787.db2.gz WXLQTQPELMKKKT-LDCMCGJDSA-N 0 0 424.544 6.293 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000004311381 557539320 /nfs/dbraw/zinc/53/93/20/557539320.db2.gz RVXTVGBYGDFFIX-JTHBVZDNSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000004311382 557539279 /nfs/dbraw/zinc/53/92/79/557539279.db2.gz RVXTVGBYGDFFIX-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)c(Cl)c3)[C@H]12 ZINC000004311541 568960912 /nfs/dbraw/zinc/96/09/12/568960912.db2.gz AJIAWTPEXUHVFS-SIKLNZKXSA-N 0 0 410.325 6.774 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)[C@H]12 ZINC000004311542 568960902 /nfs/dbraw/zinc/96/09/02/568960902.db2.gz AJIAWTPEXUHVFS-UGKGYDQZSA-N 0 0 410.325 6.774 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)c(Cl)c3)[C@@H]12 ZINC000004311543 568960907 /nfs/dbraw/zinc/96/09/07/568960907.db2.gz AJIAWTPEXUHVFS-DENIHFKCSA-N 0 0 410.325 6.774 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H]12 ZINC000004311544 568960816 /nfs/dbraw/zinc/96/08/16/568960816.db2.gz AJIAWTPEXUHVFS-KNQAVFIVSA-N 0 0 410.325 6.774 50 0 HKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004311734 557539315 /nfs/dbraw/zinc/53/93/15/557539315.db2.gz FSUWUULUSKOAJS-FXAWDEMLSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000004311735 557539422 /nfs/dbraw/zinc/53/94/22/557539422.db2.gz FSUWUULUSKOAJS-YLJYHZDGSA-N 0 0 401.318 6.297 50 0 HKAARN CSc1nc2sc3c(c2c2nnc(SCCC(C)C)n21)C[C@@H](C(C)C)OC3 ZINC000004311832 568960745 /nfs/dbraw/zinc/96/07/45/568960745.db2.gz HEIYRINWULZGJY-ZDUSSCGKSA-N 0 0 422.645 5.296 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000004311855 568961114 /nfs/dbraw/zinc/96/11/14/568961114.db2.gz AZLDSDPXFFQNFT-UHFFFAOYSA-N 0 0 416.637 5.907 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 ZINC000004311878 568961078 /nfs/dbraw/zinc/96/10/78/568961078.db2.gz COWOHOCUIZWIIE-KXLLNGJYSA-N 0 0 422.572 6.901 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 ZINC000004311879 568961152 /nfs/dbraw/zinc/96/11/52/568961152.db2.gz COWOHOCUIZWIIE-IPEXIJNSSA-N 0 0 422.572 6.901 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000004311915 568961070 /nfs/dbraw/zinc/96/10/70/568961070.db2.gz MMERVNWSGQXRKE-ZJSXRUAMSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000004311916 568961129 /nfs/dbraw/zinc/96/11/29/568961129.db2.gz MMERVNWSGQXRKE-QPPBQGQZSA-N 0 0 404.897 5.981 50 0 HKAARN Nc1ccc2nc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)sc2c1 ZINC000004311937 557539263 /nfs/dbraw/zinc/53/92/63/557539263.db2.gz IFEJIJAVKQEXMK-UHFFFAOYSA-N 0 0 405.504 5.509 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1 ZINC000004311990 557539354 /nfs/dbraw/zinc/53/93/54/557539354.db2.gz JJMYDAQOASCMEI-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1 ZINC000004312978 557539578 /nfs/dbraw/zinc/53/95/78/557539578.db2.gz NRHTZNKUVVSOLR-UHFFFAOYSA-N 0 0 417.321 5.581 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000004313867 568961364 /nfs/dbraw/zinc/96/13/64/568961364.db2.gz DHYOKSPTXFKLDP-UHFFFAOYSA-N 0 0 407.370 5.556 50 0 HKAARN CCc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000004313898 568961375 /nfs/dbraw/zinc/96/13/75/568961375.db2.gz JQTAVLKYYREWHK-UHFFFAOYSA-N 0 0 415.514 5.169 50 0 HKAARN Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004313902 568961363 /nfs/dbraw/zinc/96/13/63/568961363.db2.gz CPGPZSSXTNOCCX-UHFFFAOYSA-N 0 0 415.514 5.224 50 0 HKAARN Fc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(F)c2)cc1 ZINC000004314289 557539973 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558443624 /nfs/dbraw/zinc/44/36/24/558443624.db2.gz DAISIWFZZPUNRY-UHFFFAOYSA-N 0 0 413.930 5.099 50 0 HKAARN CCOC(=O)CCCSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000004356243 558443644 /nfs/dbraw/zinc/44/36/44/558443644.db2.gz DZJBUHIMBRFYAA-UHFFFAOYSA-N 0 0 415.946 5.332 50 0 HKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2-c2cccc(C)c2)cc1 ZINC000004356342 558443813 /nfs/dbraw/zinc/44/38/13/558443813.db2.gz AQTVQSGIXXYLHA-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN Cc1cccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2ccccc2F)c1 ZINC000004356399 558443723 /nfs/dbraw/zinc/44/37/23/558443723.db2.gz KLXLNELJGBBEOH-UHFFFAOYSA-N 0 0 403.526 6.291 50 0 HKAARN COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000004356408 558443740 /nfs/dbraw/zinc/44/37/40/558443740.db2.gz DFAYQTXWJRXUFG-UHFFFAOYSA-N 0 0 407.926 5.889 50 0 HKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)n2-c2ccccc2)c1 ZINC000004356553 558444934 /nfs/dbraw/zinc/44/49/34/558444934.db2.gz MWLZVBDSZIUZJM-UHFFFAOYSA-N 0 0 417.534 5.552 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccc3F)n2-c2ccccc2C)c1 ZINC000004356594 558444879 /nfs/dbraw/zinc/44/48/79/558444879.db2.gz ZNHFDMOSWFDSIJ-UHFFFAOYSA-N 0 0 403.526 6.291 50 0 HKAARN Cc1ccccc1-n1c(SCc2cc(F)ccc2F)nnc1-c1ccccc1F ZINC000004356600 558444835 /nfs/dbraw/zinc/44/48/35/558444835.db2.gz RMALEVHIFFTYGI-UHFFFAOYSA-N 0 0 411.452 5.952 50 0 HKAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccccc2F)cc1 ZINC000004356608 557545615 /nfs/dbraw/zinc/54/56/15/557545615.db2.gz PQVCHZAALRYAMR-UHFFFAOYSA-N 0 0 403.526 6.291 50 0 HKAARN COc1ccccc1-c1nnc(SCc2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000004356674 558444886 /nfs/dbraw/zinc/44/48/86/558444886.db2.gz QLVANPJVJJPKMS-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000004356699 558444946 /nfs/dbraw/zinc/44/49/46/558444946.db2.gz LNJIESZOKAOIOO-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN Fc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccccc2)cc1 ZINC000004356790 558445201 /nfs/dbraw/zinc/44/52/01/558445201.db2.gz 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ZINC000004357036 557545772 /nfs/dbraw/zinc/54/57/72/557545772.db2.gz QNJIPZAEDKVUMA-SFHVURJKSA-N 0 0 401.304 6.005 50 0 HKAARN Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1 ZINC000004357039 557545848 /nfs/dbraw/zinc/54/58/48/557545848.db2.gz QNJIPZAEDKVUMA-GOSISDBHSA-N 0 0 401.304 6.005 50 0 HKAARN Cc1ccccc1-n1c(SCc2cccc(F)c2F)nnc1-c1ccccc1F ZINC000004357117 558445182 /nfs/dbraw/zinc/44/51/82/558445182.db2.gz DIOKQJBPBSICIO-UHFFFAOYSA-N 0 0 411.452 5.952 50 0 HKAARN Cc1ccccc1-n1c(SCc2ccccc2Cl)nnc1-c1ccccc1F ZINC000004357119 558445175 /nfs/dbraw/zinc/44/51/75/558445175.db2.gz ZCSQMEXSFWIKRL-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN Cc1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2C)cc1C ZINC000004357120 558445179 /nfs/dbraw/zinc/44/51/79/558445179.db2.gz DWKCHWSKIMMRPA-UHFFFAOYSA-N 0 0 403.526 6.291 50 0 HKAARN COc1ccccc1CSc1nnc(-c2ccccc2F)n1-c1ccccc1C ZINC000004357122 558445416 /nfs/dbraw/zinc/44/54/16/558445416.db2.gz FRFGRTZWIUAVAQ-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN Cc1ccc(-n2c(SCc3cc(F)cc(F)c3)nnc2-c2ccccc2F)cc1 ZINC000004357148 558445420 /nfs/dbraw/zinc/44/54/20/558445420.db2.gz XDMVLOOSVNDNLZ-UHFFFAOYSA-N 0 0 411.452 5.952 50 0 HKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2F)cc1 ZINC000004357149 558445433 /nfs/dbraw/zinc/44/54/33/558445433.db2.gz WZWCOFIVNCUEHC-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2ccccc2F)cc1 ZINC000004357152 557545748 /nfs/dbraw/zinc/54/57/48/557545748.db2.gz VGRQSQYDHLHSQR-UHFFFAOYSA-N 0 0 403.526 6.291 50 0 HKAARN FC(F)(F)c1ccccc1CSc1nnc(C2CCCCC2)n1-c1ccccc1 ZINC000004357197 558445379 /nfs/dbraw/zinc/44/53/79/558445379.db2.gz ZAURHHAEFCSOQV-UHFFFAOYSA-N 0 0 417.500 6.626 50 0 HKAARN Clc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1Cl ZINC000004357203 558445339 /nfs/dbraw/zinc/44/53/39/558445339.db2.gz RVGOSXIDLJUHTA-UHFFFAOYSA-N 0 0 418.393 6.914 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2cccc(C)c2)cc1 ZINC000004357220 558445297 /nfs/dbraw/zinc/44/52/97/558445297.db2.gz 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/nfs/dbraw/zinc/44/56/34/558445634.db2.gz UPAYTEFQZIJUKI-UHFFFAOYSA-N 0 0 400.128 6.623 50 0 HKAARN Fc1ccccc1CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000004357472 558445844 /nfs/dbraw/zinc/44/58/44/558445844.db2.gz UKLYLYBLQKBNLQ-UHFFFAOYSA-N 0 0 409.917 5.943 50 0 HKAARN Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000004357474 558445764 /nfs/dbraw/zinc/44/57/64/558445764.db2.gz UWQLJSCMXSACSS-UHFFFAOYSA-N 0 0 405.954 6.112 50 0 HKAARN Cc1ccccc1-n1c(SCc2c(F)cccc2Cl)nnc1-c1cccnc1 ZINC000004357509 558446060 /nfs/dbraw/zinc/44/60/60/558446060.db2.gz BIFJZBXMZYLVKU-UHFFFAOYSA-N 0 0 410.905 5.723 50 0 HKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 ZINC000004357529 558446110 /nfs/dbraw/zinc/44/61/10/558446110.db2.gz WLKNDJQHDGESGM-UHFFFAOYSA-N 0 0 410.905 5.723 50 0 HKAARN Fc1ccccc1-n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 ZINC000004357549 558446056 /nfs/dbraw/zinc/44/60/56/558446056.db2.gz CJGOSHUPLHUBFR-UHFFFAOYSA-N 0 0 403.841 5.751 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)cc1 ZINC000004357552 558446101 /nfs/dbraw/zinc/44/61/01/558446101.db2.gz NBSDCUUTXUYFFF-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)cc1 ZINC000004357559 558446037 /nfs/dbraw/zinc/44/60/37/558446037.db2.gz FKBBKSBMTNGWLW-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)c1 ZINC000004357562 558446031 /nfs/dbraw/zinc/44/60/31/558446031.db2.gz XRWXXOCTCHKZBJ-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN CCC[C@H](Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)C(=O)OCC ZINC000004357577 558446082 /nfs/dbraw/zinc/44/60/82/558446082.db2.gz YZWMSEVNTGZMBQ-INIZCTEOSA-N 0 0 405.907 5.005 50 0 HKAARN CCC[C@@H](Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)C(=O)OCC ZINC000004357579 558446048 /nfs/dbraw/zinc/44/60/48/558446048.db2.gz YZWMSEVNTGZMBQ-MRXNPFEDSA-N 0 0 405.907 5.005 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000004357615 558446222 /nfs/dbraw/zinc/44/62/22/558446222.db2.gz TWPLCSBCTPGCGS-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccc(F)cc2)cc1 ZINC000004357635 558446198 /nfs/dbraw/zinc/44/61/98/558446198.db2.gz CEEHKUBCWJSGTE-UHFFFAOYSA-N 0 0 411.452 5.952 50 0 HKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 ZINC000004357641 558446255 /nfs/dbraw/zinc/44/62/55/558446255.db2.gz ZDFFSEPEKCQMJF-UHFFFAOYSA-N 0 0 409.917 6.328 50 0 HKAARN Fc1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000004357887 558446216 /nfs/dbraw/zinc/44/62/16/558446216.db2.gz AWRLFRPMPFXXPX-UHFFFAOYSA-N 0 0 409.917 5.943 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000004357890 558446275 /nfs/dbraw/zinc/44/62/75/558446275.db2.gz XPYZEBATGMGJEO-UHFFFAOYSA-N 0 0 419.981 6.421 50 0 HKAARN Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cc(Cl)ccc1C ZINC000004357932 558446234 /nfs/dbraw/zinc/44/62/34/558446234.db2.gz LBWJZCRHBIUOFM-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1cc(F)cc(F)c1 ZINC000004357948 558446429 /nfs/dbraw/zinc/44/64/29/558446429.db2.gz 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COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004424593 558544051 /nfs/dbraw/zinc/54/40/51/558544051.db2.gz GPKWDRMEUXTLNI-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004424596 558543937 /nfs/dbraw/zinc/54/39/37/558543937.db2.gz GPKWDRMEUXTLNI-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000004425013 557554242 /nfs/dbraw/zinc/55/42/42/557554242.db2.gz JEGSTYQJOBBYIE-XTEPFMGCSA-N 0 0 402.497 6.596 50 0 HKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000004425016 557554262 /nfs/dbraw/zinc/55/42/62/557554262.db2.gz JEGSTYQJOBBYIE-XCZPVHLTSA-N 0 0 402.497 6.596 50 0 HKAARN CC(C)OC(=O)c1cccc(COc2ccc3oc(-c4ccco4)cc(=O)c3c2)c1 ZINC000004426084 558544003 /nfs/dbraw/zinc/54/40/03/558544003.db2.gz OZSQLZZFXBNDIJ-UHFFFAOYSA-N 0 0 404.418 5.197 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1cccc(O)c1 ZINC000004426447 557554509 /nfs/dbraw/zinc/55/45/09/557554509.db2.gz ZCPGRFXCOVUPQG-PKNBQFBNSA-N 0 0 409.272 5.569 50 0 HKAARN CCc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1 ZINC000004427088 558536846 /nfs/dbraw/zinc/53/68/46/558536846.db2.gz VUHBFOBVIYJTKD-UHFFFAOYSA-N 0 0 410.399 5.230 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000004427339 557554487 /nfs/dbraw/zinc/55/44/87/557554487.db2.gz GAIXKXQJDBMEAC-UHFFFAOYSA-N 0 0 412.338 5.753 50 0 HKAARN O=c1oc(-c2ccccc2N[S@](=O)c2ccc3ccccc3c2)nc2ccccc21 ZINC000004427485 558537021 /nfs/dbraw/zinc/53/70/21/558537021.db2.gz YCXFTSODIGTNER-PMERELPUSA-N 0 0 412.470 5.143 50 0 HKAARN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004427691 557554560 /nfs/dbraw/zinc/55/45/60/557554560.db2.gz YLHNPYRIAAIWNE-UHFFFAOYSA-N 0 0 414.376 7.022 50 0 HKAARN CCCCCC1CCC(c2ccc(C(=O)Nc3nnc(SCC)s3)cc2)CC1 ZINC000004427693 558537237 /nfs/dbraw/zinc/53/72/37/558537237.db2.gz CAHDCQWMSSTWTA-UHFFFAOYSA-N 0 0 417.644 6.757 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)OCC)s2)cc1 ZINC000004427901 558537477 /nfs/dbraw/zinc/53/74/77/558537477.db2.gz WRGXZONKSSFPLX-UHFFFAOYSA-N 0 0 424.522 5.418 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2c1 ZINC000004434155 558561531 /nfs/dbraw/zinc/56/15/31/558561531.db2.gz DCPDJULROTTZDI-UHFFFAOYSA-N 0 0 406.511 5.210 50 0 biogenic HKAARN O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004435759 558559333 /nfs/dbraw/zinc/55/93/33/558559333.db2.gz SXDUHUMRKPMSOZ-UHFFFAOYSA-N 0 0 403.413 5.239 50 0 HKAARN CCCOc1ccc(-n2sc3c(c2=S)-c2cc(C)cc(C)c2NC3(C)C)cc1 ZINC000004438344 557555579 /nfs/dbraw/zinc/55/55/79/557555579.db2.gz NFEWKMQLPPYTSR-UHFFFAOYSA-N 0 0 410.608 7.002 50 0 HKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1c2c(nc3ccccc31)CCC2 ZINC000004438441 558559729 /nfs/dbraw/zinc/55/97/29/558559729.db2.gz CRILVUHALZGQCT-UHFFFAOYSA-N 0 0 415.320 5.828 50 0 HKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 ZINC000004438451 557555541 /nfs/dbraw/zinc/55/55/41/557555541.db2.gz XGVOQNMOTQFJLI-UHFFFAOYSA-N 0 0 414.596 5.617 50 0 HKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000004438463 557555486 /nfs/dbraw/zinc/55/54/86/557555486.db2.gz XNAKRDYDNIPFLE-UHFFFAOYSA-N 0 0 412.624 5.718 50 0 HKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004438537 569071328 /nfs/dbraw/zinc/07/13/28/569071328.db2.gz ALAGMANZMPMQEH-CVDCTZTESA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004438538 569071275 /nfs/dbraw/zinc/07/12/75/569071275.db2.gz ALAGMANZMPMQEH-XXBNENTESA-N 0 0 404.853 5.311 50 0 HKAARN O=C(COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004438682 557555558 /nfs/dbraw/zinc/55/55/58/557555558.db2.gz PBFBBKFAIUCVEC-UHFFFAOYSA-N 0 0 406.481 5.447 50 0 HKAARN CC(C)(C)c1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1 ZINC000004438749 557555516 /nfs/dbraw/zinc/55/55/16/557555516.db2.gz NBFKQUPBUZHOKD-UHFFFAOYSA-N 0 0 421.364 6.628 50 0 HKAARN COCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 ZINC000004444678 558591900 /nfs/dbraw/zinc/59/19/00/558591900.db2.gz ZMSGXQAJFSXDBH-UHFFFAOYSA-N 0 0 408.354 5.499 50 0 HKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 ZINC000004444722 558591850 /nfs/dbraw/zinc/59/18/50/558591850.db2.gz YEEQKMLABSGOTR-UHFFFAOYSA-N 0 0 406.938 5.699 50 0 HKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 ZINC000004444744 558591878 /nfs/dbraw/zinc/59/18/78/558591878.db2.gz RIGRPZQKIYVNBJ-UHFFFAOYSA-N 0 0 420.965 6.007 50 0 HKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC000004444747 558591839 /nfs/dbraw/zinc/59/18/39/558591839.db2.gz GXJYMDVPKCUMCJ-UHFFFAOYSA-N 0 0 406.938 5.699 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1Cl ZINC000004444753 558591910 /nfs/dbraw/zinc/59/19/10/558591910.db2.gz HHCNSOMGIBZQTR-UHFFFAOYSA-N 0 0 410.901 5.530 50 0 HKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 ZINC000004444759 558591855 /nfs/dbraw/zinc/59/18/55/558591855.db2.gz WCPLIZFZDBDBMA-UHFFFAOYSA-N 0 0 406.938 5.699 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004451396 557555773 /nfs/dbraw/zinc/55/57/73/557555773.db2.gz FCWQQVQPWWNCMY-UHFFFAOYSA-N 0 0 421.031 5.765 50 0 HKAARN Cc1ccc(-c2ccc(/C=C3\SC(=N)N(c4nccs4)C3=O)o2)cc1Cl ZINC000004451448 558587752 /nfs/dbraw/zinc/58/77/52/558587752.db2.gz AGBZKIWEVKWFMF-KTVYXKAUSA-N 0 0 401.900 5.421 50 0 HKAARN CC[C@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004451499 558588013 /nfs/dbraw/zinc/58/80/13/558588013.db2.gz MDBJBXQUNCJLLN-ZDCBYCKXSA-N 0 0 412.961 6.028 50 0 HKAARN CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004451502 558587963 /nfs/dbraw/zinc/58/79/63/558587963.db2.gz MDBJBXQUNCJLLN-XOQVKLMPSA-N 0 0 412.961 6.028 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004451567 557555834 /nfs/dbraw/zinc/55/58/34/557555834.db2.gz QLMANXVYRMJLGH-UHFFFAOYSA-N 0 0 414.933 5.019 50 0 HKAARN CCN(C(=O)CSc1nc2cc(Cl)ccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000004452317 558588349 /nfs/dbraw/zinc/58/83/49/558588349.db2.gz QTDDBMXIJMAGFB-UHFFFAOYSA-N 0 0 421.031 5.859 50 0 HKAARN CC1(C)Cc2ccccc2C(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)=N1 ZINC000004452324 558588360 /nfs/dbraw/zinc/58/83/60/558588360.db2.gz YKNJGKMVPZNLIX-UHFFFAOYSA-N 0 0 405.489 5.290 50 0 HKAARN CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 ZINC000004452331 557555767 /nfs/dbraw/zinc/55/57/67/557555767.db2.gz UGLCBRNFHHQKNM-UHFFFAOYSA-N 0 0 412.946 5.166 50 0 HKAARN COc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000004452399 557555795 /nfs/dbraw/zinc/55/57/95/557555795.db2.gz ZXNWFRRLSSTQHE-RPBOFIJWSA-N 0 0 417.505 5.165 50 0 HKAARN ClC(Cl)(Cl)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004452418 558588738 /nfs/dbraw/zinc/58/87/38/558588738.db2.gz YFXJTSIEEQPPTC-UHFFFAOYSA-N 0 0 402.708 6.409 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)CC13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000004452439 557555835 /nfs/dbraw/zinc/55/58/35/557555835.db2.gz HKWXDCJIBMAAFV-UHFFFAOYSA-N 0 0 401.572 5.349 50 0 HKAARN ON1C(c2ccc(Cl)cc2)=NN=C(c2ccccc2)[C@H]1c1c[nH]c2ccccc21 ZINC000004452517 557555837 /nfs/dbraw/zinc/55/58/37/557555837.db2.gz ULOPVXGEEVJUFQ-JOCHJYFZSA-N 0 0 400.869 5.418 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccccc2)=NN=C(c2ccc(Cl)cc2)N1O ZINC000004452518 557555733 /nfs/dbraw/zinc/55/57/33/557555733.db2.gz ZWIGUWJWTOFAJQ-HSZRJFAPSA-N 0 0 414.896 5.727 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000004452631 557555826 /nfs/dbraw/zinc/55/58/26/557555826.db2.gz YAMUQMMPALPOJA-JOCHJYFZSA-N 0 0 417.357 7.108 50 0 HKAARN COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000004452636 557555810 /nfs/dbraw/zinc/55/58/10/557555810.db2.gz VVROAWZKQKTMDA-JOCHJYFZSA-N 0 0 412.938 6.464 50 0 HKAARN Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C ZINC000004452655 557555762 /nfs/dbraw/zinc/55/57/62/557555762.db2.gz CWWSMYWJZMRANM-HSZRJFAPSA-N 0 0 415.385 7.717 50 0 HKAARN Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000004452662 557555839 /nfs/dbraw/zinc/55/58/39/557555839.db2.gz BNOVNNWDBJTDBD-JOCHJYFZSA-N 0 0 401.358 7.408 50 0 HKAARN O=C(c1ccccc1Cl)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000004454416 558589177 /nfs/dbraw/zinc/58/91/77/558589177.db2.gz OHZKOQSTIKBRES-UHFFFAOYSA-N 0 0 402.281 5.063 50 0 HKAARN CCOC(=O)c1c2cc(OC(C)=O)ccc2n(Cc2ccccc2)c1-c1ccccc1 ZINC000004455967 558590070 /nfs/dbraw/zinc/59/00/70/558590070.db2.gz QYOYCGGXRQDYNU-UHFFFAOYSA-N 0 0 413.473 5.459 50 0 HKAARN FC(F)(F)c1nc(Nc2ccc3ccccc3c2)sc1-c1cccc(Cl)c1 ZINC000004455989 558590042 /nfs/dbraw/zinc/59/00/42/558590042.db2.gz WAPGPZQZFMEMTF-UHFFFAOYSA-N 0 0 404.844 7.379 50 0 HKAARN FC(F)(F)c1ccccc1NCn1nc(C23CC4CC(CC(C4)C2)C3)oc1=S ZINC000004457497 557556023 /nfs/dbraw/zinc/55/60/23/557556023.db2.gz JFJFSAQPZQXKEU-UHFFFAOYSA-N 0 0 409.477 5.762 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1 ZINC000004457527 557555942 /nfs/dbraw/zinc/55/59/42/557555942.db2.gz NXDYKXLSBIEGBM-UHFFFAOYSA-N 0 0 417.578 5.907 50 0 HKAARN COc1cccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)c1 ZINC000004457570 557556044 /nfs/dbraw/zinc/55/60/44/557556044.db2.gz PODLWBOFZDESGX-UHFFFAOYSA-N 0 0 415.518 5.059 50 0 HKAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(C)n2)n1 ZINC000004458450 558590122 /nfs/dbraw/zinc/59/01/22/558590122.db2.gz OVWZCAZZDCCRHG-UHFFFAOYSA-N 0 0 407.524 5.274 50 0 HKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000004458519 558590378 /nfs/dbraw/zinc/59/03/78/558590378.db2.gz CWCBHOVPXMSJGK-ULJHMMPZSA-N 0 0 411.501 5.908 50 0 HKAARN O=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000004458735 558590270 /nfs/dbraw/zinc/59/02/70/558590270.db2.gz AAIYZNZVJSEINM-UHFFFAOYSA-N 0 0 414.498 5.232 50 0 biogenic HKAARN CC(=O)Nc1c(C)cc(C(c2ccco2)c2cc(C)c(NC(C)=O)c(C)c2)cc1C ZINC000004459244 558780752 /nfs/dbraw/zinc/78/07/52/558780752.db2.gz ZHKKBKWNRQQIRE-UHFFFAOYSA-N 0 0 404.510 5.610 50 0 HKAARN CCOc1ccc(NC(=O)NCc2ccc(-c3ccc(C)cc3)c3ccncc23)cc1 ZINC000004462222 558596532 /nfs/dbraw/zinc/59/65/32/558596532.db2.gz BNKIZFHFXYKMHE-UHFFFAOYSA-N 0 0 411.505 5.931 50 0 HKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1c[nH]c2ccccc12 ZINC000004463055 558596515 /nfs/dbraw/zinc/59/65/15/558596515.db2.gz NTHHXNLSIZVLAZ-UHFFFAOYSA-N 0 0 413.477 5.892 50 0 HKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000004463669 558596832 /nfs/dbraw/zinc/59/68/32/558596832.db2.gz YSGKRPWCXXRJGW-UHFFFAOYSA-N 0 0 404.510 5.493 50 0 HKAARN COc1ccc(-c2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 ZINC000004470055 558594375 /nfs/dbraw/zinc/59/43/75/558594375.db2.gz BEPIRURCBIHSGZ-NRFANRHFSA-N 0 0 402.475 5.462 50 0 HKAARN COc1ccc(-c2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 ZINC000004470059 558594409 /nfs/dbraw/zinc/59/44/09/558594409.db2.gz BEPIRURCBIHSGZ-OAQYLSRUSA-N 0 0 402.475 5.462 50 0 HKAARN Cc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000004471236 557556513 /nfs/dbraw/zinc/55/65/13/557556513.db2.gz KTPPVKNTDDSINO-HMAPJEAMSA-N 0 0 403.865 5.572 50 0 HKAARN 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CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004554572 558722425 /nfs/dbraw/zinc/72/24/25/558722425.db2.gz MNEAXSLJMFOLOY-SGTLLEGYSA-N 0 0 423.409 7.025 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004554573 558722442 /nfs/dbraw/zinc/72/24/42/558722442.db2.gz MNEAXSLJMFOLOY-KZULUSFZSA-N 0 0 423.409 7.025 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004554574 558722404 /nfs/dbraw/zinc/72/24/04/558722404.db2.gz MNEAXSLJMFOLOY-KPZWWZAWSA-N 0 0 423.409 7.025 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004554579 558722415 /nfs/dbraw/zinc/72/24/15/558722415.db2.gz GNPZGDUCNOJVCQ-XCLFUZPHSA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004554580 558722418 /nfs/dbraw/zinc/72/24/18/558722418.db2.gz GNPZGDUCNOJVCQ-RBZFPXEDSA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004554581 558722400 /nfs/dbraw/zinc/72/24/00/558722400.db2.gz GNPZGDUCNOJVCQ-ZUOKHONESA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)ccc2OC)N3)C1 ZINC000004554582 558722369 /nfs/dbraw/zinc/72/23/69/558722369.db2.gz GNPZGDUCNOJVCQ-RNODOKPDSA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(SC)cc2)N3)C1 ZINC000004554583 558722364 /nfs/dbraw/zinc/72/23/64/558722364.db2.gz QQEAZETWLICNIJ-KUHUBIRLSA-N 0 0 400.613 6.440 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(SC)cc2)N3)C1 ZINC000004554584 558722371 /nfs/dbraw/zinc/72/23/71/558722371.db2.gz QQEAZETWLICNIJ-LIRRHRJNSA-N 0 0 400.613 6.440 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(SC)cc2)N3)C1 ZINC000004554585 558722484 /nfs/dbraw/zinc/72/24/84/558722484.db2.gz QQEAZETWLICNIJ-AUUYWEPGSA-N 0 0 400.613 6.440 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(SC)cc2)N3)C1 ZINC000004554586 558722432 /nfs/dbraw/zinc/72/24/32/558722432.db2.gz 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CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2OC)N3)C1 ZINC000004554608 558722668 /nfs/dbraw/zinc/72/26/68/558722668.db2.gz OCGIEMJCBZQPOQ-RBZFPXEDSA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2OC)N3)C1 ZINC000004554609 558722743 /nfs/dbraw/zinc/72/27/43/558722743.db2.gz OCGIEMJCBZQPOQ-ZUOKHONESA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2OC)N3)C1 ZINC000004554610 558722681 /nfs/dbraw/zinc/72/26/81/558722681.db2.gz OCGIEMJCBZQPOQ-RNODOKPDSA-N 0 0 414.571 5.735 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 ZINC000004554742 558722899 /nfs/dbraw/zinc/72/28/99/558722899.db2.gz XRRDFPBFBZMZRB-ROGXMRDCSA-N 0 0 424.566 5.788 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 ZINC000004554743 558722927 /nfs/dbraw/zinc/72/29/27/558722927.db2.gz XRRDFPBFBZMZRB-PGVPZQPASA-N 0 0 424.566 5.788 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 ZINC000004554744 558722921 /nfs/dbraw/zinc/72/29/21/558722921.db2.gz XRRDFPBFBZMZRB-CTGZGNLVSA-N 0 0 424.566 5.788 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 ZINC000004554745 558722914 /nfs/dbraw/zinc/72/29/14/558722914.db2.gz XRRDFPBFBZMZRB-WZGQVBGCSA-N 0 0 424.566 5.788 50 0 HKAARN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C ZINC000004554772 560735745 /nfs/dbraw/zinc/73/57/45/560735745.db2.gz DJXDRGHAIRYEMQ-UHFFFAOYSA-N 0 0 402.494 5.060 50 0 HKAARN COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)C(C)C ZINC000004554782 557566745 /nfs/dbraw/zinc/56/67/45/557566745.db2.gz OXEWCAYMOISADE-UHFFFAOYSA-N 0 0 424.541 5.355 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(C)c1 ZINC000004554785 558722957 /nfs/dbraw/zinc/72/29/57/558722957.db2.gz TUHIZTQOWRWHPM-UHFFFAOYSA-N 0 0 400.478 6.188 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000004554786 557566778 /nfs/dbraw/zinc/56/67/78/557566778.db2.gz QJAYQTZWGUPCSV-UHFFFAOYSA-N 0 0 414.505 6.496 50 0 HKAARN CC(C)COc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000004554804 557566783 /nfs/dbraw/zinc/56/67/83/557566783.db2.gz QWYVGBGCSXHMDV-UHFFFAOYSA-N 0 0 420.900 5.361 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000004554814 558722923 /nfs/dbraw/zinc/72/29/23/558722923.db2.gz UZFPMQGYGMDABV-UHFFFAOYSA-N 0 0 416.546 6.413 50 0 HKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000004554823 558722907 /nfs/dbraw/zinc/72/29/07/558722907.db2.gz WZFLJCUBKSGCKF-UHFFFAOYSA-N 0 0 418.928 5.598 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000004554929 558704494 /nfs/dbraw/zinc/70/44/94/558704494.db2.gz GWQZRWZMYOPYMN-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN CC(C)CC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000004554931 558704766 /nfs/dbraw/zinc/70/47/66/558704766.db2.gz SAGZZHDPSQUEME-UHFFFAOYSA-N 0 0 403.960 5.476 50 0 HKAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000004554936 558705428 /nfs/dbraw/zinc/70/54/28/558705428.db2.gz GCPDGNIHJJMMNH-UHFFFAOYSA-N 0 0 404.878 6.615 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000004554938 558705435 /nfs/dbraw/zinc/70/54/35/558705435.db2.gz HVNQNFZIMVJANL-UHFFFAOYSA-N 0 0 420.965 7.167 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004554942 557566988 /nfs/dbraw/zinc/56/69/88/557566988.db2.gz BGTZBEGRFBZAOH-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000004554943 557566952 /nfs/dbraw/zinc/56/69/52/557566952.db2.gz IKIWOASGURSBAQ-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000004554944 558705622 /nfs/dbraw/zinc/70/56/22/558705622.db2.gz NKYWHFPKTXEYFL-UHFFFAOYSA-N 0 0 402.450 5.327 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000004554945 558705689 /nfs/dbraw/zinc/70/56/89/558705689.db2.gz XJWYNSNEZFTOGF-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000004554946 558705636 /nfs/dbraw/zinc/70/56/36/558705636.db2.gz MABLJIXZQGTHJU-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c(C)c1 ZINC000004555066 558708298 /nfs/dbraw/zinc/70/82/98/558708298.db2.gz GMYQUTJPPTWTLE-UHFFFAOYSA-N 0 0 404.897 6.634 50 0 HKAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3cccc4ccccc43)C2=O)cc1 ZINC000004555153 558710376 /nfs/dbraw/zinc/71/03/76/558710376.db2.gz UFMYVYKLSGLTCM-MUUNZHRXSA-N 0 0 421.496 5.156 50 0 HKAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3cccc4ccccc43)C2=O)cc1 ZINC000004555154 558710332 /nfs/dbraw/zinc/71/03/32/558710332.db2.gz UFMYVYKLSGLTCM-NDEPHWFRSA-N 0 0 421.496 5.156 50 0 HKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000004556474 558726070 /nfs/dbraw/zinc/72/60/70/558726070.db2.gz BLWTYTDIDCIFKV-UHFFFAOYSA-N 0 0 419.554 5.273 50 0 HKAARN 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CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@@H](CC)C2 ZINC000004558283 558724145 /nfs/dbraw/zinc/72/41/45/558724145.db2.gz WKEUCDJKCPADAS-CYBMUJFWSA-N 0 0 421.946 5.111 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@H](CC)C2 ZINC000004558287 558724116 /nfs/dbraw/zinc/72/41/16/558724116.db2.gz WKEUCDJKCPADAS-ZDUSSCGKSA-N 0 0 421.946 5.111 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000004558296 558724360 /nfs/dbraw/zinc/72/43/60/558724360.db2.gz PJZCLMWXQSVORL-UHFFFAOYSA-N 0 0 421.946 5.171 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000004558409 558726618 /nfs/dbraw/zinc/72/66/18/558726618.db2.gz RKKKDSVMDOOUSU-SNVBAGLBSA-N 0 0 416.326 5.254 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000004558410 558726613 /nfs/dbraw/zinc/72/66/13/558726613.db2.gz RKKKDSVMDOOUSU-JTQLQIEISA-N 0 0 416.326 5.254 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@@H](CC)C2 ZINC000004558418 558726664 /nfs/dbraw/zinc/72/66/64/558726664.db2.gz HCKVUXZRMSTOPB-MRXNPFEDSA-N 0 0 415.555 5.074 50 0 HKAARN CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](CC)C2 ZINC000004558419 558726621 /nfs/dbraw/zinc/72/66/21/558726621.db2.gz HCKVUXZRMSTOPB-INIZCTEOSA-N 0 0 415.555 5.074 50 0 HKAARN c1cc2cc(c1)CSCc1cccc(n1)CSCc1cccc(c1)CSC2 ZINC000004558665 557568025 /nfs/dbraw/zinc/56/80/25/557568025.db2.gz GHXZZRJHBVEBBG-UHFFFAOYSA-N 0 0 409.645 6.695 50 0 HKAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000004559402 558727139 /nfs/dbraw/zinc/72/71/39/558727139.db2.gz ZRRJYNQLHWEORS-INIZCTEOSA-N 0 0 412.342 5.175 50 0 HKAARN CCC(=O)Oc1ccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1 ZINC000004560180 557568098 /nfs/dbraw/zinc/56/80/98/557568098.db2.gz KJACUHOBBZTVSR-UHFFFAOYSA-N 0 0 422.528 6.762 50 0 HKAARN Brc1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)s1 ZINC000004560191 557568035 /nfs/dbraw/zinc/56/80/35/557568035.db2.gz ZWNJAUPOCLHFDH-UHFFFAOYSA-N 0 0 407.336 6.653 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 ZINC000004560268 558727162 /nfs/dbraw/zinc/72/71/62/558727162.db2.gz MFMNZELXAGCLTK-UHFFFAOYSA-N 0 0 415.518 5.745 50 0 HKAARN COc1ccc(NC2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 ZINC000004560430 558727323 /nfs/dbraw/zinc/72/73/23/558727323.db2.gz CLGJILBSNGNBNC-UHFFFAOYSA-N 0 0 419.573 5.523 50 0 HKAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000004560815 558729933 /nfs/dbraw/zinc/72/99/33/558729933.db2.gz PSTGLHCLWZWFBM-QZTJIDSGSA-N 0 0 411.608 5.005 50 0 HKAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000004560821 558729970 /nfs/dbraw/zinc/72/99/70/558729970.db2.gz PSTGLHCLWZWFBM-MSOLQXFVSA-N 0 0 411.608 5.005 50 0 HKAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)C[C@H](C)CC(C)(C)C ZINC000004560826 558729957 /nfs/dbraw/zinc/72/99/57/558729957.db2.gz PSTGLHCLWZWFBM-ZWKOTPCHSA-N 0 0 411.608 5.005 50 0 HKAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)C[C@H](C)CC(C)(C)C ZINC000004560834 558730189 /nfs/dbraw/zinc/73/01/89/558730189.db2.gz PSTGLHCLWZWFBM-ROUUACIJSA-N 0 0 411.608 5.005 50 0 HKAARN CCc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2 ZINC000004561067 558731641 /nfs/dbraw/zinc/73/16/41/558731641.db2.gz IFFGVVJQQRAUEC-UHFFFAOYSA-N 0 0 415.356 5.313 50 0 HKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000004561566 569255360 /nfs/dbraw/zinc/25/53/60/569255360.db2.gz KKMXKWXCMDVETL-BUHFOSPRSA-N 0 0 415.543 5.490 50 0 HKAARN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000004561618 558732070 /nfs/dbraw/zinc/73/20/70/558732070.db2.gz GSQRGHQPTNTRSR-HZHRSRAPSA-N 0 0 407.473 5.095 50 0 biogenic HKAARN Nc1c2ccc(C34CC5CC(CC(C5)C3)C4)nc2sc1C(=O)Nc1cccc(F)c1 ZINC000004561672 557568059 /nfs/dbraw/zinc/56/80/59/557568059.db2.gz HHLSSAVLGHTRKR-UHFFFAOYSA-N 0 0 421.541 5.738 50 0 HKAARN CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 ZINC000004561735 535952143 /nfs/dbraw/zinc/95/21/43/535952143.db2.gz RJDWQLQWIGSBFC-DVKBMCPXSA-N 0 0 400.522 5.924 50 0 HKAARN CCc1ccc2[nH]c(C)c(CC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c2c1 ZINC000004561743 558732128 /nfs/dbraw/zinc/73/21/28/558732128.db2.gz PHLVAOHECJTTEH-UHFFFAOYSA-N 0 0 409.533 6.348 50 0 HKAARN Cc1ccc(NC2(c3nnnn3-c3ccc(Br)cc3)CCCCC2)cc1 ZINC000004561988 558732436 /nfs/dbraw/zinc/73/24/36/558732436.db2.gz ANRIESRCHMUVCV-UHFFFAOYSA-N 0 0 412.335 5.005 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 ZINC000004562140 132278563 /nfs/dbraw/zinc/27/85/63/132278563.db2.gz OQZNSCZZVINNGJ-OXTYCOSGSA-N 0 0 414.549 6.314 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 ZINC000004562142 132278537 /nfs/dbraw/zinc/27/85/37/132278537.db2.gz OQZNSCZZVINNGJ-LUPFDQBXSA-N 0 0 414.549 6.314 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 ZINC000004562144 132278546 /nfs/dbraw/zinc/27/85/46/132278546.db2.gz OQZNSCZZVINNGJ-GJQIQAERSA-N 0 0 414.549 6.314 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 ZINC000004562146 132278535 /nfs/dbraw/zinc/27/85/35/132278535.db2.gz OQZNSCZZVINNGJ-YZXAJQSBSA-N 0 0 414.549 6.314 50 0 HKAARN CCN(CC)c1ccc2cc(-c3csc(Nc4ccccc4OC)n3)c(=O)oc2c1 ZINC000004562234 558732319 /nfs/dbraw/zinc/73/23/19/558732319.db2.gz IKTOYTYOVKDFMN-UHFFFAOYSA-N 0 0 421.522 5.515 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(F)cc1Cl ZINC000004562891 558732884 /nfs/dbraw/zinc/73/28/84/558732884.db2.gz OBVKHBRDWYRWLG-UHFFFAOYSA-N 0 0 412.770 5.966 50 0 HKAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C)c(Cl)cc1OC ZINC000004562988 558732833 /nfs/dbraw/zinc/73/28/33/558732833.db2.gz QDQIZRGXNKHJRT-UHFFFAOYSA-N 0 0 414.889 5.524 50 0 HKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000004562994 558732837 /nfs/dbraw/zinc/73/28/37/558732837.db2.gz NDBBHOSEEOIZSU-UHFFFAOYSA-N 0 0 409.244 5.610 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000004563083 536548811 /nfs/dbraw/zinc/54/88/11/536548811.db2.gz SYQBLUVDTRAUQK-UHFFFAOYSA-N 0 0 409.917 5.448 50 0 HKAARN CCCC1CCC(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)CC1 ZINC000004563252 534917121 /nfs/dbraw/zinc/91/71/21/534917121.db2.gz RCCJVUYRAFPOKM-UHFFFAOYSA-N 0 0 407.602 6.325 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)NCCC3=CCCCC3)c3ccccc32)cc1Cl ZINC000004563468 558733074 /nfs/dbraw/zinc/73/30/74/558733074.db2.gz JYNOFFPFSLRPHQ-UHFFFAOYSA-N 0 0 419.956 6.561 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3)c3ccccc23)cc1Cl ZINC000004563472 558733226 /nfs/dbraw/zinc/73/32/26/558733226.db2.gz SDDWWJYDQWDRCR-UHFFFAOYSA-N 0 0 405.860 6.332 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)Nc3ccccc3F)c3ccccc23)cc1Cl ZINC000004563496 558733198 /nfs/dbraw/zinc/73/31/98/558733198.db2.gz DXUVKXOYIXAEKS-UHFFFAOYSA-N 0 0 405.860 6.332 50 0 HKAARN CN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1cccc(C(F)(F)F)c1 ZINC000004563512 558733213 /nfs/dbraw/zinc/73/32/13/558733213.db2.gz NKDCVPBMXZZJIV-UHFFFAOYSA-N 0 0 403.381 5.303 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc32)cc1Cl ZINC000004563524 558733169 /nfs/dbraw/zinc/73/31/69/558733169.db2.gz IBDDGECDDMPPEI-WSZRMNBISA-N 0 0 421.972 6.495 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc32)cc1Cl ZINC000004563526 558733210 /nfs/dbraw/zinc/73/32/10/558733210.db2.gz IBDDGECDDMPPEI-LPXYKDPNSA-N 0 0 421.972 6.495 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@H](C)C3)c3ccccc32)cc1Cl ZINC000004563529 558733218 /nfs/dbraw/zinc/73/32/18/558733218.db2.gz RGFWGEHKUVHPBI-DOTOQJQBSA-N 0 0 407.945 6.249 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@H]3CCC[C@H](C)C3)c3ccccc32)cc1Cl ZINC000004563530 558733228 /nfs/dbraw/zinc/73/32/28/558733228.db2.gz RGFWGEHKUVHPBI-RDJZCZTQSA-N 0 0 407.945 6.249 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)C3)c3ccccc32)cc1Cl ZINC000004563532 558733201 /nfs/dbraw/zinc/73/32/01/558733201.db2.gz RGFWGEHKUVHPBI-NVXWUHKLSA-N 0 0 407.945 6.249 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@H]3CCC[C@@H](C)C3)c3ccccc32)cc1Cl ZINC000004563533 558733223 /nfs/dbraw/zinc/73/32/23/558733223.db2.gz RGFWGEHKUVHPBI-WBVHZDCISA-N 0 0 407.945 6.249 50 0 HKAARN COc1ccccc1NC(=O)c1cnc(Nc2ccc(C)c(Cl)c2)c2ccccc12 ZINC000004563696 558733183 /nfs/dbraw/zinc/73/31/83/558733183.db2.gz DTRJLGVHRJWZOC-UHFFFAOYSA-N 0 0 417.896 6.201 50 0 HKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccc(C(C)C)cc1 ZINC000004563702 558733232 /nfs/dbraw/zinc/73/32/32/558733232.db2.gz JRLYHFNQZOXBIC-UHFFFAOYSA-N 0 0 405.519 6.188 50 0 HKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccc(OCC)cc1 ZINC000004563707 558733225 /nfs/dbraw/zinc/73/32/25/558733225.db2.gz GZUCUZPNCZXNLB-UHFFFAOYSA-N 0 0 407.491 5.463 50 0 HKAARN O=C(c1cc2c(s1)c1ccccc1oc2=O)N(Cc1cccs1)C1CCCC1 ZINC000004563847 558733428 /nfs/dbraw/zinc/73/34/28/558733428.db2.gz LFYNTIKDRMNXAH-UHFFFAOYSA-N 0 0 409.532 5.654 50 0 HKAARN Cc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000004564305 558733581 /nfs/dbraw/zinc/73/35/81/558733581.db2.gz CEFKXNZPITXZRU-NPPFBWRTSA-N 0 0 404.579 6.249 50 0 HKAARN Cc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000004564310 558733597 /nfs/dbraw/zinc/73/35/97/558733597.db2.gz CEFKXNZPITXZRU-KGVIQGDOSA-N 0 0 404.579 6.249 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000004564332 558733569 /nfs/dbraw/zinc/73/35/69/558733569.db2.gz NZAANZXYLBIWKS-QRWLVFNGSA-N 0 0 410.970 6.348 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000004564333 558733583 /nfs/dbraw/zinc/73/35/83/558733583.db2.gz NZAANZXYLBIWKS-YWZLYKJASA-N 0 0 410.970 6.348 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000004564335 558733616 /nfs/dbraw/zinc/73/36/16/558733616.db2.gz NZAANZXYLBIWKS-FOIQADDNSA-N 0 0 410.970 6.348 50 0 HKAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000004564337 558733622 /nfs/dbraw/zinc/73/36/22/558733622.db2.gz NZAANZXYLBIWKS-MGPUTAFESA-N 0 0 410.970 6.348 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)[C@@H]1C ZINC000004564339 558733579 /nfs/dbraw/zinc/73/35/79/558733579.db2.gz GVEIBXSAKYLCPX-ZOCZFRKYSA-N 0 0 424.997 6.594 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)[C@@H]1C ZINC000004564344 558733606 /nfs/dbraw/zinc/73/36/06/558733606.db2.gz GVEIBXSAKYLCPX-WHSLLNHNSA-N 0 0 424.997 6.594 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)[C@@H]1C ZINC000004564386 558733619 /nfs/dbraw/zinc/73/36/19/558733619.db2.gz WVPKBVRPVVGYCP-ZOCZFRKYSA-N 0 0 408.542 6.080 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)[C@@H]1C ZINC000004564390 558733601 /nfs/dbraw/zinc/73/36/01/558733601.db2.gz WVPKBVRPVVGYCP-WHSLLNHNSA-N 0 0 408.542 6.080 50 0 HKAARN O=c1oc2cc(Cl)ccc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004564998 558730404 /nfs/dbraw/zinc/73/04/04/558730404.db2.gz WXYOUUGCTYAONM-UHFFFAOYSA-N 0 0 411.888 6.088 50 0 HKAARN c1cc2cc(c1)CSCc1cccc(c1)-c1cccc(c1)-c1cccc(c1)CSC2 ZINC000004566034 557568262 /nfs/dbraw/zinc/56/82/62/557568262.db2.gz UOOFDIVFAXDPFE-UHFFFAOYSA-N 0 0 424.634 8.201 50 0 HKAARN O=C(c1ccccc1)[C@H](c1ccccc1)n1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000004566414 557568320 /nfs/dbraw/zinc/56/83/20/557568320.db2.gz QSONEKMNPXRFNK-FQEVSTJZSA-N 0 0 409.272 5.176 50 0 HKAARN O=C(c1ccccc1)[C@@H](c1ccccc1)n1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000004566415 569356889 /nfs/dbraw/zinc/35/68/89/569356889.db2.gz QSONEKMNPXRFNK-HXUWFJFHSA-N 0 0 409.272 5.176 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000004566456 557568271 /nfs/dbraw/zinc/56/82/71/557568271.db2.gz HVDZTJZOIWFVTR-ZHZULCJRSA-N 0 0 411.288 5.403 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2F)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004566464 557568269 /nfs/dbraw/zinc/56/82/69/557568269.db2.gz AYTILEHTPROPNM-STZFKDTASA-N 0 0 408.860 5.197 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004566568 558730599 /nfs/dbraw/zinc/73/05/99/558730599.db2.gz JWMPBGQBPWJPNK-UHFFFAOYSA-N 0 0 403.566 6.586 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C(C)C)cc1)C(C)(C)N2 ZINC000004567788 558731624 /nfs/dbraw/zinc/73/16/24/558731624.db2.gz NWCSRYQSSOCRMP-GYHWCHFESA-N 0 0 410.608 6.892 50 0 HKAARN CCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1ccc(Cl)cc1 ZINC000004567909 557568501 /nfs/dbraw/zinc/56/85/01/557568501.db2.gz LVQMMTUEQGOMPI-LCUIJRPUSA-N 0 0 411.014 7.560 50 0 HKAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004568007 557568492 /nfs/dbraw/zinc/56/84/92/557568492.db2.gz KQYNXTKVAJXCFG-YVLHZVERSA-N 0 0 402.208 5.737 50 0 HKAARN Cc1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000004568028 557568494 /nfs/dbraw/zinc/56/84/94/557568494.db2.gz DPTCAJCAJFOYFS-STZFKDTASA-N 0 0 403.865 5.572 50 0 HKAARN c1ccc2oc(SCc3ccccc3CSc3nc4ccccc4o3)nc2c1 ZINC000004568139 557568506 /nfs/dbraw/zinc/56/85/06/557568506.db2.gz PLRXQNXQIOSSPZ-UHFFFAOYSA-N 0 0 404.516 6.554 50 0 HKAARN Fc1cccc(-c2c3c(nn2-c2ccc(Cl)c(Cl)c2)CCc2ccccc2-3)c1 ZINC000004568154 557568512 /nfs/dbraw/zinc/56/85/12/557568512.db2.gz MLUVCMKTNLMMIJ-UHFFFAOYSA-N 0 0 409.291 6.751 50 0 HKAARN Cc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 ZINC000004568155 557568499 /nfs/dbraw/zinc/56/84/99/557568499.db2.gz XCFVSWNATPICTE-UHFFFAOYSA-N 0 0 405.328 6.920 50 0 HKAARN Cc1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1 ZINC000004568162 557568521 /nfs/dbraw/zinc/56/85/21/557568521.db2.gz HAQBVIHTTSUNAF-UHFFFAOYSA-N 0 0 415.334 6.376 50 0 HKAARN Fc1cccc(-c2c3c(nn2-c2cc(Cl)cc(Cl)c2)CCc2ccccc2-3)c1 ZINC000004568163 557568497 /nfs/dbraw/zinc/56/84/97/557568497.db2.gz OBTPXJDRZYKPJF-UHFFFAOYSA-N 0 0 409.291 6.751 50 0 HKAARN COc1ccc(C(=O)C[C@H](Sc2cc(OC)ccc2OC)c2ccccc2)cc1 ZINC000004568165 557568483 /nfs/dbraw/zinc/56/84/83/557568483.db2.gz QALCQLLHINUJJJ-QHCPKHFHSA-N 0 0 408.519 5.819 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Sc2cc(OC)ccc2OC)c2ccccc2)cc1 ZINC000004568166 557568488 /nfs/dbraw/zinc/56/84/88/557568488.db2.gz QALCQLLHINUJJJ-HSZRJFAPSA-N 0 0 408.519 5.819 50 0 HKAARN O=C1CC[C@H](c2ccccc2)c2cc(Oc3c(F)c(F)nc(F)c3Cl)ccc21 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Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000004652199 557576133 /nfs/dbraw/zinc/57/61/33/557576133.db2.gz CVEWHOBPQRANRF-CZMIQIQISA-N 0 0 413.546 5.888 50 0 aggregator HKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000004652200 557576111 /nfs/dbraw/zinc/57/61/11/557576111.db2.gz CVEWHOBPQRANRF-CRVXMOQVSA-N 0 0 413.546 5.888 50 0 aggregator HKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000004652202 557576113 /nfs/dbraw/zinc/57/61/13/557576113.db2.gz CVEWHOBPQRANRF-QJWSLKCCSA-N 0 0 413.546 5.888 50 0 aggregator HKAARN CCC(C)(C)c1ccc(OCCCCNC(=O)Cc2ccccc2)c(C(C)(C)CC)c1 ZINC000004652548 557576091 /nfs/dbraw/zinc/57/60/91/557576091.db2.gz FXHWTKIDXRNOFM-UHFFFAOYSA-N 0 0 423.641 6.580 50 0 HKAARN Cc1ccsc1C(=O)NCCCCCCCCCNC(=O)c1sccc1C ZINC000004652601 557576153 /nfs/dbraw/zinc/57/61/53/557576153.db2.gz FEPFJSAMDRZSTF-UHFFFAOYSA-N 0 0 406.617 5.317 50 0 HKAARN Cc1ccc(C(=O)NCCCCCCCCCNC(=O)c2ccc(C)s2)s1 ZINC000004652602 557576156 /nfs/dbraw/zinc/57/61/56/557576156.db2.gz HFXAHKMKARMVAD-UHFFFAOYSA-N 0 0 406.617 5.317 50 0 HKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccccc3)C2)cc1C ZINC000004652663 557576170 /nfs/dbraw/zinc/57/61/70/557576170.db2.gz PCJIEXUDZWQIAC-VWLOTQADSA-N 0 0 409.558 6.783 50 0 HKAARN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccccc3)C2)cc1C ZINC000004652664 557576173 /nfs/dbraw/zinc/57/61/73/557576173.db2.gz PCJIEXUDZWQIAC-RUZDIDTESA-N 0 0 409.558 6.783 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4ccc(C)c(C)c4)C[C@H]3c3ccccc3)n2)cc1 ZINC000004652666 557576166 /nfs/dbraw/zinc/57/61/66/557576166.db2.gz DUTLBTMWOCVTBO-SANMLTNESA-N 0 0 423.585 7.091 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4ccc(C)c(C)c4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000004652667 557576148 /nfs/dbraw/zinc/57/61/48/557576148.db2.gz DUTLBTMWOCVTBO-AREMUKBSSA-N 0 0 423.585 7.091 50 0 HKAARN COc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 ZINC000004653224 558869493 /nfs/dbraw/zinc/86/94/93/558869493.db2.gz JXPMGTURKXGEGZ-RSXGOPAZSA-N 0 0 408.538 6.089 50 0 HKAARN COc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 ZINC000004653225 558869476 /nfs/dbraw/zinc/86/94/76/558869476.db2.gz JXPMGTURKXGEGZ-AOYPEHQESA-N 0 0 408.538 6.089 50 0 HKAARN COc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 ZINC000004653226 558869510 /nfs/dbraw/zinc/86/95/10/558869510.db2.gz JXPMGTURKXGEGZ-AHWVRZQESA-N 0 0 408.538 6.089 50 0 HKAARN COc1ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 ZINC000004653227 558869513 /nfs/dbraw/zinc/86/95/13/558869513.db2.gz JXPMGTURKXGEGZ-AZGAKELHSA-N 0 0 408.538 6.089 50 0 HKAARN CCOC(=O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000004653373 558869616 /nfs/dbraw/zinc/86/96/16/558869616.db2.gz YCJGAWZYZSFOIJ-HNNXBMFYSA-N 0 0 400.689 5.071 50 0 HKAARN CCOC(=O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000004653374 558869679 /nfs/dbraw/zinc/86/96/79/558869679.db2.gz YCJGAWZYZSFOIJ-OAHLLOKOSA-N 0 0 400.689 5.071 50 0 HKAARN Cc1cc(I)ccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000004653429 557576312 /nfs/dbraw/zinc/57/63/12/557576312.db2.gz LYJRFOOGINBRNH-HNNXBMFYSA-N 0 0 421.322 5.540 50 0 HKAARN Cc1cc(I)ccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000004653430 557576299 /nfs/dbraw/zinc/57/62/99/557576299.db2.gz LYJRFOOGINBRNH-OAHLLOKOSA-N 0 0 421.322 5.540 50 0 HKAARN CCOC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000004653470 558869171 /nfs/dbraw/zinc/86/91/71/558869171.db2.gz HUAHXYJYAPMVQQ-INIZCTEOSA-N 0 0 400.689 5.071 50 0 HKAARN CCOC(=O)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000004653472 558869208 /nfs/dbraw/zinc/86/92/08/558869208.db2.gz HUAHXYJYAPMVQQ-MRXNPFEDSA-N 0 0 400.689 5.071 50 0 HKAARN CCC(=O)N1c2ccccc2C(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1=O ZINC000004653538 569071398 /nfs/dbraw/zinc/07/13/98/569071398.db2.gz KKJOPJBOOKJBNO-UHFFFAOYSA-N 0 0 419.484 5.267 50 0 HKAARN COC(C)(C)CCC[C@H](C)CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004653545 558869210 /nfs/dbraw/zinc/86/92/10/558869210.db2.gz YQVUAFZGOWHMOP-KRWDZBQOSA-N 0 0 417.571 5.486 50 0 HKAARN COC(C)(C)CCC[C@@H](C)CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004653546 558869161 /nfs/dbraw/zinc/86/91/61/558869161.db2.gz YQVUAFZGOWHMOP-QGZVFWFLSA-N 0 0 417.571 5.486 50 0 HKAARN CC1(C)OC(c2cccc(NC(=O)c3ccccc3-c3ccccc3)c2)OC1(C)C ZINC000004653636 558869156 /nfs/dbraw/zinc/86/91/56/558869156.db2.gz GAVDEXDPFNLGFA-UHFFFAOYSA-N 0 0 401.506 6.209 50 0 HKAARN CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004654858 558871458 /nfs/dbraw/zinc/87/14/58/558871458.db2.gz IOWMKBFJCNLRTC-RNCHBCSGSA-N 0 0 402.663 6.360 50 0 endogenous,in-man HKAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000004655034 557576314 /nfs/dbraw/zinc/57/63/14/557576314.db2.gz RZFHLOLGZPDCHJ-XZXLULOTSA-N 0 0 424.669 8.601 50 0 endogenous,in-man HKAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000004655035 557576272 /nfs/dbraw/zinc/57/62/72/557576272.db2.gz FGYKUFVNYVMTAM-WAZJVIJMSA-N 0 0 410.642 8.292 50 0 endogenous,in-man HKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004655287 557576296 /nfs/dbraw/zinc/57/62/96/557576296.db2.gz LQWSQQKTZLDGME-HOIWYFOJSA-N 0 0 404.550 5.793 50 0 in-vitro HKAARN Cc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C ZINC000004655718 557576503 /nfs/dbraw/zinc/57/65/03/557576503.db2.gz VCZOHTFVSJUQSL-UHFFFAOYSA-N 0 0 406.569 7.816 50 0 HKAARN CCOc1cccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)c1 ZINC000004656079 557576457 /nfs/dbraw/zinc/57/64/57/557576457.db2.gz ZTCCMBCCODYABR-UHFFFAOYSA-N 0 0 415.518 5.369 50 0 HKAARN CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1OCC ZINC000004656370 557576669 /nfs/dbraw/zinc/57/66/69/557576669.db2.gz NXYKNAFCWPQUPQ-HSZRJFAPSA-N 0 0 419.521 5.206 50 0 HKAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004657234 557576829 /nfs/dbraw/zinc/57/68/29/557576829.db2.gz MRPJEGYXVIKUCE-UHFFFAOYSA-N 0 0 422.550 5.062 50 0 HKAARN O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCC1 ZINC000004657268 557576889 /nfs/dbraw/zinc/57/68/89/557576889.db2.gz HAGVLFLMLOCDMJ-UHFFFAOYSA-N 0 0 413.465 5.077 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004657273 557576834 /nfs/dbraw/zinc/57/68/34/557576834.db2.gz BKGHHJSDHVFNRT-DZGCQCFKSA-N 0 0 410.783 5.042 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004657274 557576905 /nfs/dbraw/zinc/57/69/05/557576905.db2.gz BKGHHJSDHVFNRT-UKRRQHHQSA-N 0 0 410.783 5.042 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000004657275 557576848 /nfs/dbraw/zinc/57/68/48/557576848.db2.gz BKGHHJSDHVFNRT-ZFWWWQNUSA-N 0 0 410.783 5.042 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000004657276 557576831 /nfs/dbraw/zinc/57/68/31/557576831.db2.gz BKGHHJSDHVFNRT-HIFRSBDPSA-N 0 0 410.783 5.042 50 0 HKAARN C[C@H](NC(=O)c1cccc2c(Br)cccc12)C12CC3CC(CC(C3)C1)C2 ZINC000004657368 558871940 /nfs/dbraw/zinc/87/19/40/558871940.db2.gz RDRGMFDYQJRDOW-NSDYXAQKSA-N 0 0 412.371 5.937 50 0 HKAARN C[C@@H](NC(=O)c1cccc2c(Br)cccc12)C12CC3CC(CC(C3)C1)C2 ZINC000004657369 558872023 /nfs/dbraw/zinc/87/20/23/558872023.db2.gz RDRGMFDYQJRDOW-KWJFTMPMSA-N 0 0 412.371 5.937 50 0 HKAARN C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004657370 558871960 /nfs/dbraw/zinc/87/19/60/558871960.db2.gz KGBYAJFZJPIWCE-ABROSTTOSA-N 0 0 416.776 5.747 50 0 HKAARN C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004657371 558872002 /nfs/dbraw/zinc/87/20/02/558872002.db2.gz KGBYAJFZJPIWCE-JIEKGTPASA-N 0 0 416.776 5.747 50 0 HKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 ZINC000004658104 558872171 /nfs/dbraw/zinc/87/21/71/558872171.db2.gz FHLVNEFLLCLTPI-UHFFFAOYSA-N 0 0 419.575 6.047 50 0 HKAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000004658106 558872162 /nfs/dbraw/zinc/87/21/62/558872162.db2.gz CDMKPNTWDSPXDU-UHFFFAOYSA-N 0 0 407.477 5.447 50 0 HKAARN C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000004658134 558872153 /nfs/dbraw/zinc/87/21/53/558872153.db2.gz CWAPIIQQEIEGNP-CTNGQTDRSA-N 0 0 410.565 6.714 50 0 HKAARN C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000004658135 558872184 /nfs/dbraw/zinc/87/21/84/558872184.db2.gz CWAPIIQQEIEGNP-PZJWPPBQSA-N 0 0 410.565 6.714 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cc(C)cc(C)c2)cc1 ZINC000004658136 558872130 /nfs/dbraw/zinc/87/21/30/558872130.db2.gz LJSGCLFFMNDNFZ-UHFFFAOYSA-N 0 0 420.516 6.457 50 0 HKAARN Cc1cc(C)cc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 ZINC000004658137 558872166 /nfs/dbraw/zinc/87/21/66/558872166.db2.gz HCJUQTPGHCJSSO-UHFFFAOYSA-N 0 0 408.480 6.587 50 0 HKAARN COc1ccc([C@@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004658972 536893729 /nfs/dbraw/zinc/89/37/29/536893729.db2.gz LOVDPPPXCAAJCG-VWLOTQADSA-N 0 0 401.462 5.197 50 0 HKAARN COc1ccc([C@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000004658973 536945992 /nfs/dbraw/zinc/94/59/92/536945992.db2.gz LOVDPPPXCAAJCG-RUZDIDTESA-N 0 0 401.462 5.197 50 0 HKAARN Cc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 ZINC000004659003 557577048 /nfs/dbraw/zinc/57/70/48/557577048.db2.gz CLEPDLDNNVKAJL-VVMVZBAXSA-N 0 0 401.531 5.569 50 0 HKAARN Cc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 ZINC000004659004 557577053 /nfs/dbraw/zinc/57/70/53/557577053.db2.gz CLEPDLDNNVKAJL-WYRQLCSISA-N 0 0 401.531 5.569 50 0 HKAARN Cc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 ZINC000004659005 557577012 /nfs/dbraw/zinc/57/70/12/557577012.db2.gz CLEPDLDNNVKAJL-FMNCTDSISA-N 0 0 401.531 5.569 50 0 HKAARN Cc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 ZINC000004659006 557577046 /nfs/dbraw/zinc/57/70/46/557577046.db2.gz CLEPDLDNNVKAJL-DPQOWFAMSA-N 0 0 401.531 5.569 50 0 HKAARN COc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 ZINC000004659007 557577078 /nfs/dbraw/zinc/57/70/78/557577078.db2.gz ODFJXRMKCCRMBW-HGMMTPDKSA-N 0 0 417.530 5.269 50 0 HKAARN COc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 ZINC000004659008 557577083 /nfs/dbraw/zinc/57/70/83/557577083.db2.gz ODFJXRMKCCRMBW-WQWSHVPRSA-N 0 0 417.530 5.269 50 0 HKAARN COc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 ZINC000004659009 557577049 /nfs/dbraw/zinc/57/70/49/557577049.db2.gz ODFJXRMKCCRMBW-FIMBPPNMSA-N 0 0 417.530 5.269 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004659195 557577017 /nfs/dbraw/zinc/57/70/17/557577017.db2.gz NKYVLMLHAXOLIY-UHFFFAOYSA-N 0 0 406.913 6.142 50 0 HKAARN Cc1cc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C(C)C)cc1Cl ZINC000004659234 557577007 /nfs/dbraw/zinc/57/70/07/557577007.db2.gz DNDGKURDFDMRHS-SFHVURJKSA-N 0 0 420.936 6.712 50 0 HKAARN Cc1cc2nc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)sc2cc1C ZINC000004659235 557577066 /nfs/dbraw/zinc/57/70/66/557577066.db2.gz CPMZYKNVONRJKW-KRWDZBQOSA-N 0 0 414.530 5.886 50 0 HKAARN C[C@H](C(=O)Oc1ccc(O)c(C(C)(C)C)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000004659260 557577189 /nfs/dbraw/zinc/57/71/89/557577189.db2.gz XQOJZDPNKVFENF-KRWDZBQOSA-N 0 0 402.490 5.630 50 0 HKAARN COc1ccc(-n2ncc3c2ncnc3NC2CCCCCCCCCCC2)cc1 ZINC000004659338 557577267 /nfs/dbraw/zinc/57/72/67/557577267.db2.gz IIBJBIRKFZXNMO-UHFFFAOYSA-N 0 0 407.562 5.909 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCCCCCCCC2)c(C)c1 ZINC000004659340 558872447 /nfs/dbraw/zinc/87/24/47/558872447.db2.gz MDRWVPJGCOMDQQ-UHFFFAOYSA-N 0 0 405.590 6.518 50 0 HKAARN COc1ccc(-n2ncc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004659347 558872672 /nfs/dbraw/zinc/87/26/72/558872672.db2.gz IFHSRDJFHIFMEJ-UHFFFAOYSA-N 0 0 421.504 5.031 50 0 HKAARN Cc1cccc(-n2ncc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000004659348 558872615 /nfs/dbraw/zinc/87/26/15/558872615.db2.gz MFUYVMPPKYYMIY-UHFFFAOYSA-N 0 0 405.505 5.331 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000004659349 558872635 /nfs/dbraw/zinc/87/26/35/558872635.db2.gz JBCTWRGBAJAVJF-UHFFFAOYSA-N 0 0 419.532 5.639 50 0 HKAARN 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558887197 /nfs/dbraw/zinc/88/71/97/558887197.db2.gz XWCYANZAUHTMMG-UHFFFAOYSA-N 0 0 403.378 6.158 50 0 HKAARN Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000004675522 558888357 /nfs/dbraw/zinc/88/83/57/558888357.db2.gz HQBOILISPNMVJY-UHFFFAOYSA-N 0 0 407.926 5.759 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cccc(F)c1 ZINC000004675601 558888399 /nfs/dbraw/zinc/88/83/99/558888399.db2.gz QUVHZDSLTVGIGJ-UHFFFAOYSA-N 0 0 411.230 5.649 50 0 HKAARN O=C(c1csc(Nc2cccc3ccccc32)n1)N1CCN(c2ccccc2)CC1 ZINC000004675639 132282066 /nfs/dbraw/zinc/28/20/66/132282066.db2.gz RYXLMGCEWPNXCG-UHFFFAOYSA-N 0 0 414.534 5.002 50 0 HKAARN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)CSc3ccccc3)cc21 ZINC000004675657 558888369 /nfs/dbraw/zinc/88/83/69/558888369.db2.gz ZOPCBYGGNSEFPQ-UHFFFAOYSA-N 0 0 415.514 5.839 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccccc4)cc3)ccc21 ZINC000004675721 558888389 /nfs/dbraw/zinc/88/83/89/558888389.db2.gz ACVNDVPPUHLDLX-UHFFFAOYSA-N 0 0 420.512 6.499 50 0 HKAARN COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OCc1ccccc1 ZINC000004675788 132282120 /nfs/dbraw/zinc/28/21/20/132282120.db2.gz ATVNYISTEZCGHW-UHFFFAOYSA-N 0 0 416.565 5.213 50 0 HKAARN O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004676043 558888507 /nfs/dbraw/zinc/88/85/07/558888507.db2.gz DINDFRUKLZXXKW-UNOMPAQXSA-N 0 0 410.882 5.073 50 0 HKAARN COc1ccc(-c2cc(C(=O)NC3CCC(C)CC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000004676088 558888510 /nfs/dbraw/zinc/88/85/10/558888510.db2.gz CJFZGRJACWIADI-UHFFFAOYSA-N 0 0 416.565 6.342 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1C ZINC000004676164 558888518 /nfs/dbraw/zinc/88/85/18/558888518.db2.gz UVOANRDAQBNADZ-UHFFFAOYSA-N 0 0 400.887 5.197 50 0 HKAARN Cc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc2n1C ZINC000004676342 558888622 /nfs/dbraw/zinc/88/86/22/558888622.db2.gz OGWODVHFKQVKOD-GRSHGNNSSA-N 0 0 414.889 5.516 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1Sc1ccc(F)cc1 ZINC000004676363 558888660 /nfs/dbraw/zinc/88/86/60/558888660.db2.gz KCCGUCLVVOVFLW-KUHUBIRLSA-N 0 0 400.519 5.244 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1Sc1ccc(F)cc1 ZINC000004676366 558888645 /nfs/dbraw/zinc/88/86/45/558888645.db2.gz KCCGUCLVVOVFLW-LIRRHRJNSA-N 0 0 400.519 5.244 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1Sc1ccc(F)cc1 ZINC000004676367 558888655 /nfs/dbraw/zinc/88/86/55/558888655.db2.gz KCCGUCLVVOVFLW-AUUYWEPGSA-N 0 0 400.519 5.244 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Sc1ccc(F)cc1 ZINC000004676370 558888674 /nfs/dbraw/zinc/88/86/74/558888674.db2.gz KCCGUCLVVOVFLW-IFXJQAMLSA-N 0 0 400.519 5.244 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(Cl)c3)cs2)cc1C ZINC000004676398 558888658 /nfs/dbraw/zinc/88/86/58/558888658.db2.gz GMUSUNZVGPUSQM-UHFFFAOYSA-N 0 0 400.887 5.197 50 0 HKAARN Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 ZINC000004676403 558888666 /nfs/dbraw/zinc/88/86/66/558888666.db2.gz ORTNZNNIXJCXPH-UHFFFAOYSA-N 0 0 416.746 6.602 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000004676409 558888816 /nfs/dbraw/zinc/88/88/16/558888816.db2.gz AONSXMRWTPNZKL-KUHUBIRLSA-N 0 0 416.974 5.758 50 0 HKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000004676410 557580150 /nfs/dbraw/zinc/58/01/50/557580150.db2.gz JNKFNBDUDMHEAT-UHFFFAOYSA-N 0 0 413.732 5.573 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000004676411 558888839 /nfs/dbraw/zinc/88/88/39/558888839.db2.gz AONSXMRWTPNZKL-LIRRHRJNSA-N 0 0 416.974 5.758 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000004676413 558888795 /nfs/dbraw/zinc/88/87/95/558888795.db2.gz AONSXMRWTPNZKL-AUUYWEPGSA-N 0 0 416.974 5.758 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000004676416 558888870 /nfs/dbraw/zinc/88/88/70/558888870.db2.gz AONSXMRWTPNZKL-IFXJQAMLSA-N 0 0 416.974 5.758 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 ZINC000004676466 557580141 /nfs/dbraw/zinc/58/01/41/557580141.db2.gz KXXHNUFJCCBKIZ-UHFFFAOYSA-N 0 0 420.896 6.496 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000004676477 558889206 /nfs/dbraw/zinc/88/92/06/558889206.db2.gz DMQMADBLYZXMPT-UHFFFAOYSA-N 0 0 420.896 6.496 50 0 HKAARN Cc1cccc(C2=N/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 ZINC000004676632 558889220 /nfs/dbraw/zinc/88/92/20/558889220.db2.gz ZSZSCMASRFBRDD-HYARGMPZSA-N 0 0 403.865 5.572 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000004676648 558888860 /nfs/dbraw/zinc/88/88/60/558888860.db2.gz GNUFZWRRNVBMMU-XGHQBKJUSA-N 0 0 410.583 5.659 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000004676652 558888796 /nfs/dbraw/zinc/88/87/96/558888796.db2.gz GNUFZWRRNVBMMU-LLGFUMIMSA-N 0 0 410.583 5.659 50 0 HKAARN COc1cc(CN2CCN(c3cccc(C)c3C)CC2)ccc1OCc1ccccc1 ZINC000004676681 132282290 /nfs/dbraw/zinc/28/22/90/132282290.db2.gz BKSRZWJKQHQOFA-UHFFFAOYSA-N 0 0 416.565 5.213 50 0 HKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000004676722 558888882 /nfs/dbraw/zinc/88/88/82/558888882.db2.gz HNPQCCBAKKCCJX-UHFFFAOYSA-N 0 0 414.509 5.287 50 0 HKAARN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004676937 558889197 /nfs/dbraw/zinc/88/91/97/558889197.db2.gz KNNGLXREGQFUBJ-UHFFFAOYSA-N 0 0 413.920 6.686 50 0 HKAARN C[C@@H](CCC(=O)Nc1cccc2ccccc21)CC(=O)Nc1cccc2ccccc21 ZINC000004677017 558889238 /nfs/dbraw/zinc/88/92/38/558889238.db2.gz CGXKSYIYQPSNLR-IBGZPJMESA-N 0 0 410.517 6.377 50 0 HKAARN C[C@H](CCC(=O)Nc1cccc2ccccc21)CC(=O)Nc1cccc2ccccc21 ZINC000004677019 558889373 /nfs/dbraw/zinc/88/93/73/558889373.db2.gz CGXKSYIYQPSNLR-LJQANCHMSA-N 0 0 410.517 6.377 50 0 HKAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000004677200 557580154 /nfs/dbraw/zinc/58/01/54/557580154.db2.gz FZBAEKMJQKUNNV-CIAFOILYSA-N 0 0 407.828 5.403 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000004677343 558889401 /nfs/dbraw/zinc/88/94/01/558889401.db2.gz WVTKERJKDMYADC-GCASFGIVSA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000004677344 558889365 /nfs/dbraw/zinc/88/93/65/558889365.db2.gz WVTKERJKDMYADC-KLOKCGCJSA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000004677345 558889418 /nfs/dbraw/zinc/88/94/18/558889418.db2.gz WVTKERJKDMYADC-CPVFJDIBSA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000004677346 558889382 /nfs/dbraw/zinc/88/93/82/558889382.db2.gz WVTKERJKDMYADC-OPYZQMCBSA-N 0 0 406.869 5.963 50 0 HKAARN CCCOc1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000004677729 558889848 /nfs/dbraw/zinc/88/98/48/558889848.db2.gz OXIRVCRBMCUMFN-UHFFFAOYSA-N 0 0 412.327 6.642 50 0 HKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000004677734 557580158 /nfs/dbraw/zinc/58/01/58/557580158.db2.gz OFWUIHLAHFUBBQ-UHFFFAOYSA-N 0 0 421.928 6.088 50 0 HKAARN COc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000004677910 558889575 /nfs/dbraw/zinc/88/95/75/558889575.db2.gz PCULWIHTIVRCQO-UHFFFAOYSA-N 0 0 403.909 6.693 50 0 HKAARN Cn1c(C(=O)NCCc2ccc(Cl)cc2)cc2cc(Oc3ccccc3)ccc21 ZINC000004678078 558889623 /nfs/dbraw/zinc/88/96/23/558889623.db2.gz JULGTTBIVUHLAA-UHFFFAOYSA-N 0 0 404.897 5.597 50 0 HKAARN Cc1ccccc1-c1nc2cc(-c3ccc4[nH]c(-c5ccccc5C)nc4c3)ccc2[nH]1 ZINC000004679327 557580287 /nfs/dbraw/zinc/58/02/87/557580287.db2.gz ORWFEYYEKLJHDR-UHFFFAOYSA-N 0 0 414.512 7.057 50 0 HKAARN CCc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000004680052 557580405 /nfs/dbraw/zinc/58/04/05/557580405.db2.gz XQGKGZIJPMGKNN-UHFFFAOYSA-N 0 0 400.931 5.822 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2ccc(Br)cc2F)c1)c1ccccc1 ZINC000004680273 557580652 /nfs/dbraw/zinc/58/06/52/557580652.db2.gz GJJGHLWZZFUANN-UHFFFAOYSA-N 0 0 413.246 5.093 50 0 HKAARN Cc1sc2nc(SCCCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000004680286 558891329 /nfs/dbraw/zinc/89/13/29/558891329.db2.gz URCRBVCGXDWVBZ-UHFFFAOYSA-N 0 0 420.603 6.097 50 0 HKAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000004680490 558894083 /nfs/dbraw/zinc/89/40/83/558894083.db2.gz VUHPOCZEVZSABQ-UHFFFAOYSA-N 0 0 402.343 5.551 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2)c1 ZINC000004680501 558894111 /nfs/dbraw/zinc/89/41/11/558894111.db2.gz QNLXGYHGDGAAFJ-UHFFFAOYSA-N 0 0 416.521 5.697 50 0 HKAARN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(C)c3OC)sc2c1 ZINC000004680508 558894104 /nfs/dbraw/zinc/89/41/04/558894104.db2.gz YJDIMOJQSYUKEK-UHFFFAOYSA-N 0 0 413.568 5.083 50 0 HKAARN O=C(CCCC(=O)NC1CCCCCCCCCCC1)NCc1ccc(F)cc1 ZINC000004680620 558894066 /nfs/dbraw/zinc/89/40/66/558894066.db2.gz DYJATZCVLKOACC-UHFFFAOYSA-N 0 0 404.570 5.402 50 0 HKAARN Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)Nc4ccccc43)cc2Cl)cc1 ZINC000004680672 558894070 /nfs/dbraw/zinc/89/40/70/558894070.db2.gz FOOGHTUIJYBOGN-ZDLGFXPLSA-N 0 0 410.300 6.374 50 0 HKAARN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000004680755 558894114 /nfs/dbraw/zinc/89/41/14/558894114.db2.gz ZSPDDPTZCMAJOQ-UHFFFAOYSA-N 0 0 410.901 5.287 50 0 HKAARN Cc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000004680825 558894085 /nfs/dbraw/zinc/89/40/85/558894085.db2.gz VWBDUPVTFOOTEU-UHFFFAOYSA-N 0 0 408.914 5.113 50 0 HKAARN Cc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000004681081 557580585 /nfs/dbraw/zinc/58/05/85/557580585.db2.gz ZVNIHXPTGLMMEV-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 HKAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000004681210 558893917 /nfs/dbraw/zinc/89/39/17/558893917.db2.gz RZGKDCZAABGAGF-UHFFFAOYSA-N 0 0 422.550 5.196 50 0 HKAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000004681252 557580655 /nfs/dbraw/zinc/58/06/55/557580655.db2.gz QARVXPZIYBUZPI-UHFFFAOYSA-N 0 0 418.880 5.828 50 0 HKAARN CCc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000004681382 132282516 /nfs/dbraw/zinc/28/25/16/132282516.db2.gz IIRIAPQIDZQRLY-MUUNZHRXSA-N 0 0 413.561 6.149 50 0 HKAARN CCc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000004681384 132282508 /nfs/dbraw/zinc/28/25/08/132282508.db2.gz IIRIAPQIDZQRLY-NDEPHWFRSA-N 0 0 413.561 6.149 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004681413 558893859 /nfs/dbraw/zinc/89/38/59/558893859.db2.gz OBRIRISTWSJIRV-FGZHOGPDSA-N 0 0 408.586 6.100 50 0 HKAARN CCCC[C@H](CC)CNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004681417 558893853 /nfs/dbraw/zinc/89/38/53/558893853.db2.gz OBRIRISTWSJIRV-YADHBBJMSA-N 0 0 408.586 6.100 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004681420 558894091 /nfs/dbraw/zinc/89/40/91/558894091.db2.gz OBRIRISTWSJIRV-FCHUYYIVSA-N 0 0 408.586 6.100 50 0 HKAARN CCCC[C@H](CC)CNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004681421 558894073 /nfs/dbraw/zinc/89/40/73/558894073.db2.gz OBRIRISTWSJIRV-VXKWHMMOSA-N 0 0 408.586 6.100 50 0 HKAARN CCCCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004681451 558894065 /nfs/dbraw/zinc/89/40/65/558894065.db2.gz PEXHVXZMTZMZBT-OAQYLSRUSA-N 0 0 424.585 5.850 50 0 HKAARN CCCCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004681454 558894102 /nfs/dbraw/zinc/89/41/02/558894102.db2.gz PEXHVXZMTZMZBT-NRFANRHFSA-N 0 0 424.585 5.850 50 0 HKAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000004681594 558894631 /nfs/dbraw/zinc/89/46/31/558894631.db2.gz SQSHRKQFRHGFCM-UHFFFAOYSA-N 0 0 408.866 5.598 50 0 HKAARN CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 ZINC000004682102 558894921 /nfs/dbraw/zinc/89/49/21/558894921.db2.gz JUUORDOYCNVJPY-UHFFFAOYSA-N 0 0 400.935 5.259 50 0 HKAARN Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C)c1 ZINC000004682353 558894262 /nfs/dbraw/zinc/89/42/62/558894262.db2.gz YSMSCKPRKYDLJB-UHFFFAOYSA-N 0 0 413.340 5.346 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000004682379 558894238 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CCc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000004703910 558913363 /nfs/dbraw/zinc/91/33/63/558913363.db2.gz BOJUMQFVCXIODD-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4cccc(C)c4C)c3)oc2c(C)c1 ZINC000004703914 558913321 /nfs/dbraw/zinc/91/33/21/558913321.db2.gz IFSZYYLFSHTPER-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 ZINC000004703916 558913350 /nfs/dbraw/zinc/91/33/50/558913350.db2.gz WJKYRMYCHRWWTK-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000004703930 557584253 /nfs/dbraw/zinc/58/42/53/557584253.db2.gz CIYBQUGBVODRBB-UHFFFAOYSA-N 0 0 400.478 6.098 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000004703931 557584222 /nfs/dbraw/zinc/58/42/22/557584222.db2.gz GGPGIIZCLSWNBA-UHFFFAOYSA-N 0 0 400.478 6.098 50 0 HKAARN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl ZINC000004703939 558913362 /nfs/dbraw/zinc/91/33/62/558913362.db2.gz 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ZINC000004705495 558912771 /nfs/dbraw/zinc/91/27/71/558912771.db2.gz BAIHRDCQHMBXOK-UHFFFAOYSA-N 0 0 406.536 5.035 50 0 HKAARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004706381 557585244 /nfs/dbraw/zinc/58/52/44/557585244.db2.gz LGJMUZUPVCAVPU-HRJGVYIJSA-N 0 0 416.734 8.105 50 0 endogenous,in-man HKAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)C=Cc4ccco4)c3)oc2c(C)c1 ZINC000004707110 557585227 /nfs/dbraw/zinc/58/52/27/557585227.db2.gz OKWQCYXDVUFKFZ-CMDGGOBGSA-N 0 0 417.490 5.231 50 0 HKAARN COc1cccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000004708222 558913921 /nfs/dbraw/zinc/91/39/21/558913921.db2.gz BHYIEPVRXGYDMV-UHFFFAOYSA-N 0 0 414.296 5.491 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(O)c2)n1 ZINC000004708223 558913895 /nfs/dbraw/zinc/91/38/95/558913895.db2.gz ADUGSHQSJIPQEJ-UHFFFAOYSA-N 0 0 400.269 5.188 50 0 HKAARN COc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000004708374 558913842 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Cc1ccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000004709137 558914132 /nfs/dbraw/zinc/91/41/32/558914132.db2.gz OFSBKOFHJMVCMP-UHFFFAOYSA-N 0 0 402.881 5.473 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N=C(c1ccccc1)O[C@H]3c1ccccc1 ZINC000004709189 558914058 /nfs/dbraw/zinc/91/40/58/558914058.db2.gz BEXSUXWTLJGQLG-NRFANRHFSA-N 0 0 400.503 5.949 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N=C(c1ccccc1)O[C@@H]3c1ccccc1 ZINC000004709191 558914125 /nfs/dbraw/zinc/91/41/25/558914125.db2.gz BEXSUXWTLJGQLG-OAQYLSRUSA-N 0 0 400.503 5.949 50 0 HKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000004709255 558914063 /nfs/dbraw/zinc/91/40/63/558914063.db2.gz KISRDRSHUHBCPT-VWLOTQADSA-N 0 0 403.541 7.112 50 0 HKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000004709259 558914090 /nfs/dbraw/zinc/91/40/90/558914090.db2.gz KISRDRSHUHBCPT-RUZDIDTESA-N 0 0 403.541 7.112 50 0 HKAARN O=C(Nc1ccc(F)cc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000004709346 558914093 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CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(OC)cc2)cc1 ZINC000004709638 558913717 /nfs/dbraw/zinc/91/37/17/558913717.db2.gz DDZZIYWKTWQSMB-SANMLTNESA-N 0 0 415.577 6.981 50 0 HKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(OC)cc2)cc1 ZINC000004709640 558913660 /nfs/dbraw/zinc/91/36/60/558913660.db2.gz DDZZIYWKTWQSMB-AREMUKBSSA-N 0 0 415.577 6.981 50 0 HKAARN CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3cccc(F)c3)CC2)cc1 ZINC000004709728 557585694 /nfs/dbraw/zinc/58/56/94/557585694.db2.gz RBLPJLVKKHGKEF-UHFFFAOYSA-N 0 0 414.546 5.044 50 0 HKAARN CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3ccccc3F)CC2)cc1 ZINC000004709731 557585681 /nfs/dbraw/zinc/58/56/81/557585681.db2.gz LJEFJTJEUANWNT-UHFFFAOYSA-N 0 0 414.546 5.044 50 0 HKAARN Cc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1 ZINC000004710043 557585739 /nfs/dbraw/zinc/58/57/39/557585739.db2.gz FRHMWINFZZSMNK-UHFFFAOYSA-N 0 0 415.606 6.336 50 0 HKAARN COc1cccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 ZINC000004710204 558914260 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Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000004710942 557585727 /nfs/dbraw/zinc/58/57/27/557585727.db2.gz MDBIQSSJXCDZTL-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)cc1C ZINC000004710968 558916745 /nfs/dbraw/zinc/91/67/45/558916745.db2.gz NYIBEAFZVXNMCV-UHFFFAOYSA-N 0 0 415.518 5.167 50 0 HKAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000004710984 558916823 /nfs/dbraw/zinc/91/68/23/558916823.db2.gz NHEOKHVOKMDJEA-UHFFFAOYSA-N 0 0 401.491 5.184 50 0 HKAARN CCc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000004711683 558916913 /nfs/dbraw/zinc/91/69/13/558916913.db2.gz GKWJZPMELOAVNF-IUKKYPGJSA-N 0 0 418.606 6.503 50 0 HKAARN CCc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000004711692 558916925 /nfs/dbraw/zinc/91/69/25/558916925.db2.gz GKWJZPMELOAVNF-IEGUWTFLSA-N 0 0 418.606 6.503 50 0 HKAARN Fc1ccc(CSc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000004711747 558916923 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CCC1=Nc2cc(C(=O)NCCc3cccc(C)c3)ccc2Sc2ccc(C)cc21 ZINC000004712593 558917743 /nfs/dbraw/zinc/91/77/43/558917743.db2.gz UTWCBRUSXOGBFE-UHFFFAOYSA-N 0 0 414.574 6.271 50 0 HKAARN CCC1=Nc2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccc(C)cc21 ZINC000004712594 558917735 /nfs/dbraw/zinc/91/77/35/558917735.db2.gz XSSUBGIKBBYAQS-UHFFFAOYSA-N 0 0 420.965 6.574 50 0 aggregator HKAARN C[C@H](NC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)c1ccccc1 ZINC000004712653 132285569 /nfs/dbraw/zinc/28/55/69/132285569.db2.gz WQRBCBKZSYEBPJ-PAJXCOJRSA-N 0 0 414.530 5.044 50 0 HKAARN C[C@@H](NC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)c1ccccc1 ZINC000004712654 132285587 /nfs/dbraw/zinc/28/55/87/132285587.db2.gz WQRBCBKZSYEBPJ-MPGAHLTBSA-N 0 0 414.530 5.044 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)[C@@H]1C ZINC000004712658 132285572 /nfs/dbraw/zinc/28/55/72/132285572.db2.gz CVWZBGCRXZVRPV-LXHOLLMNSA-N 0 0 420.578 5.107 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)[C@@H]1C ZINC000004712660 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BQCWCNGIGXXZKR-XXBNENTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000004715717 558915087 /nfs/dbraw/zinc/91/50/87/558915087.db2.gz RXCPGOPMUMFWIZ-XMSQKQJNSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000004715719 558915066 /nfs/dbraw/zinc/91/50/66/558915066.db2.gz RXCPGOPMUMFWIZ-GCJKJVERSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@H]21 ZINC000004715721 558915093 /nfs/dbraw/zinc/91/50/93/558915093.db2.gz UPPKTVKHZPEGSO-XMSQKQJNSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@H]21 ZINC000004715722 558915054 /nfs/dbraw/zinc/91/50/54/558915054.db2.gz UPPKTVKHZPEGSO-GCJKJVERSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004715724 558915104 /nfs/dbraw/zinc/91/51/04/558915104.db2.gz KAGQOPCFJSHNBV-GBXCKJPGSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004715725 558915116 /nfs/dbraw/zinc/91/51/16/558915116.db2.gz KAGQOPCFJSHNBV-RDPSFJRHSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000004715726 558915058 /nfs/dbraw/zinc/91/50/58/558915058.db2.gz KRQMAVGWRPJGKJ-XMSQKQJNSA-N 0 0 412.461 5.667 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@H]21 ZINC000004715727 558915075 /nfs/dbraw/zinc/91/50/75/558915075.db2.gz KRQMAVGWRPJGKJ-GCJKJVERSA-N 0 0 412.461 5.667 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000004715728 558915081 /nfs/dbraw/zinc/91/50/81/558915081.db2.gz NUQQREBLRDQQNU-RCZVLFRGSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000004715729 558915067 /nfs/dbraw/zinc/91/50/67/558915067.db2.gz NUQQREBLRDQQNU-RDGATRHJSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715732 558915119 /nfs/dbraw/zinc/91/51/19/558915119.db2.gz RCKANDCEXXTAHE-ZJSXRUAMSA-N 0 0 406.432 5.606 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715733 558915052 /nfs/dbraw/zinc/91/50/52/558915052.db2.gz RCKANDCEXXTAHE-QPPBQGQZSA-N 0 0 406.432 5.606 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715736 558915101 /nfs/dbraw/zinc/91/51/01/558915101.db2.gz FPJWGCLBAQHMAD-RCZVLFRGSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715738 558915060 /nfs/dbraw/zinc/91/50/60/558915060.db2.gz FPJWGCLBAQHMAD-RDGATRHJSA-N 0 0 418.468 5.475 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@H]21 ZINC000004715749 558915123 /nfs/dbraw/zinc/91/51/23/558915123.db2.gz DWHXSYLAXCTONE-NFBKMPQASA-N 0 0 403.507 5.054 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@H]21 ZINC000004715751 558915080 /nfs/dbraw/zinc/91/50/80/558915080.db2.gz DWHXSYLAXCTONE-OFNKIYASSA-N 0 0 403.507 5.054 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)c1 ZINC000004715808 558915259 /nfs/dbraw/zinc/91/52/59/558915259.db2.gz VTRIQAINEKLPKE-XUZZJYLKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)c1 ZINC000004715809 558915269 /nfs/dbraw/zinc/91/52/69/558915269.db2.gz VTRIQAINEKLPKE-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004715826 558915262 /nfs/dbraw/zinc/91/52/62/558915262.db2.gz ZJKGOOZYHVSQHZ-XUZZJYLKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004715828 558915264 /nfs/dbraw/zinc/91/52/64/558915264.db2.gz ZJKGOOZYHVSQHZ-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004715830 558915300 /nfs/dbraw/zinc/91/53/00/558915300.db2.gz HRPPGUPDUYCTRY-XUZZJYLKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004715832 558915267 /nfs/dbraw/zinc/91/52/67/558915267.db2.gz HRPPGUPDUYCTRY-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004715838 558915258 /nfs/dbraw/zinc/91/52/58/558915258.db2.gz AEGDELKUDBWWDG-XUZZJYLKSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004715840 558915272 /nfs/dbraw/zinc/91/52/72/558915272.db2.gz AEGDELKUDBWWDG-URXFXBBRSA-N 0 0 404.441 5.085 50 0 HKAARN COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715842 558915255 /nfs/dbraw/zinc/91/52/55/558915255.db2.gz ANUNKTQPZZSPEX-NFBKMPQASA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715844 558915274 /nfs/dbraw/zinc/91/52/74/558915274.db2.gz ANUNKTQPZZSPEX-OFNKIYASSA-N 0 0 408.860 5.730 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004715847 558915295 /nfs/dbraw/zinc/91/52/95/558915295.db2.gz ZYEVJCTXJALKPZ-WIOPSUGQSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004715848 558915276 /nfs/dbraw/zinc/91/52/76/558915276.db2.gz ZYEVJCTXJALKPZ-DHLKQENFSA-N 0 0 418.468 5.475 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715850 558915287 /nfs/dbraw/zinc/91/52/87/558915287.db2.gz KJVAJZAJVZWKBQ-ZJSXRUAMSA-N 0 0 420.509 5.799 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715851 558915292 /nfs/dbraw/zinc/91/52/92/558915292.db2.gz KJVAJZAJVZWKBQ-QPPBQGQZSA-N 0 0 420.509 5.799 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715852 558915268 /nfs/dbraw/zinc/91/52/68/558915268.db2.gz VFMASGKEFJSPMY-NFBKMPQASA-N 0 0 410.395 5.355 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000004715854 558915260 /nfs/dbraw/zinc/91/52/60/558915260.db2.gz VFMASGKEFJSPMY-OFNKIYASSA-N 0 0 410.395 5.355 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1OC ZINC000004715869 557586091 /nfs/dbraw/zinc/58/60/91/557586091.db2.gz NBTOHDIKUBOILQ-HTAPYJJXSA-N 0 0 410.857 5.193 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1OC ZINC000004715870 557586115 /nfs/dbraw/zinc/58/61/15/557586115.db2.gz NBTOHDIKUBOILQ-JTSKRJEESA-N 0 0 410.857 5.193 50 0 HKAARN CSc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715887 558915257 /nfs/dbraw/zinc/91/52/57/558915257.db2.gz AUGWBHHCYWRYCK-SIKLNZKXSA-N 0 0 410.926 6.206 50 0 HKAARN CSc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715890 558915279 /nfs/dbraw/zinc/91/52/79/558915279.db2.gz AUGWBHHCYWRYCK-DENIHFKCSA-N 0 0 410.926 6.206 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 ZINC000004715892 558915505 /nfs/dbraw/zinc/91/55/05/558915505.db2.gz VCNYDSVIWOARLV-GHTZIAJQSA-N 0 0 400.812 5.762 50 0 HKAARN Cc1ccc(C)c([C@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000004715893 557586079 /nfs/dbraw/zinc/58/60/79/557586079.db2.gz LKYOUFSONIPIEN-MUUNZHRXSA-N 0 0 419.568 6.515 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 ZINC000004715894 558915511 /nfs/dbraw/zinc/91/55/11/558915511.db2.gz VCNYDSVIWOARLV-WIYYLYMNSA-N 0 0 400.812 5.762 50 0 HKAARN Cc1ccc(C)c([C@@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000004715895 557586122 /nfs/dbraw/zinc/58/61/22/557586122.db2.gz LKYOUFSONIPIEN-NDEPHWFRSA-N 0 0 419.568 6.515 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000004715896 557586110 /nfs/dbraw/zinc/58/61/10/557586110.db2.gz LHKPYFXPEGBTQL-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000004715899 557586099 /nfs/dbraw/zinc/58/60/99/557586099.db2.gz LHKPYFXPEGBTQL-UPVQGACJSA-N 0 0 420.896 5.600 50 0 HKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004715901 557586069 /nfs/dbraw/zinc/58/60/69/557586069.db2.gz GIEKHCISIVMGER-FXAWDEMLSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004715902 557586065 /nfs/dbraw/zinc/58/60/65/557586065.db2.gz GIEKHCISIVMGER-PXNSSMCTSA-N 0 0 401.318 6.297 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F ZINC000004715904 558915457 /nfs/dbraw/zinc/91/54/57/558915457.db2.gz CBIKFGOZVOXVKJ-FXAWDEMLSA-N 0 0 402.853 5.922 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1F ZINC000004715906 558915452 /nfs/dbraw/zinc/91/54/52/558915452.db2.gz CBIKFGOZVOXVKJ-YLJYHZDGSA-N 0 0 402.853 5.922 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004715911 557586094 /nfs/dbraw/zinc/58/60/94/557586094.db2.gz FIKXZGZYKWSBMH-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000004715913 557586073 /nfs/dbraw/zinc/58/60/73/557586073.db2.gz FIKXZGZYKWSBMH-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004715915 557586071 /nfs/dbraw/zinc/58/60/71/557586071.db2.gz IHYQKMQDWLIEQQ-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000004715917 557586096 /nfs/dbraw/zinc/58/60/96/557586096.db2.gz IHYQKMQDWLIEQQ-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2OC32CCCCC2)cc1 ZINC000004715923 558915477 /nfs/dbraw/zinc/91/54/77/558915477.db2.gz GKDYLZBHNPKFQU-QFIPXVFZSA-N 0 0 406.526 5.688 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2OC32CCCCC2)cc1 ZINC000004715924 558915493 /nfs/dbraw/zinc/91/54/93/558915493.db2.gz GKDYLZBHNPKFQU-JOCHJYFZSA-N 0 0 406.526 5.688 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCC(C)CC2)cc1 ZINC000004715957 558915487 /nfs/dbraw/zinc/91/54/87/558915487.db2.gz XWRSJLGKZSEOKJ-ADUWNVSDSA-N 0 0 406.526 5.544 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCC(C)CC2)cc1 ZINC000004715958 558915445 /nfs/dbraw/zinc/91/54/45/558915445.db2.gz XWRSJLGKZSEOKJ-ONWYWGCKSA-N 0 0 406.526 5.544 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004715965 558915475 /nfs/dbraw/zinc/91/54/75/558915475.db2.gz HKAACBCPGFJVIK-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004715966 558915491 /nfs/dbraw/zinc/91/54/91/558915491.db2.gz HKAACBCPGFJVIK-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004715967 558915473 /nfs/dbraw/zinc/91/54/73/558915473.db2.gz OJCPLSUAIPAHEA-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004715968 558915455 /nfs/dbraw/zinc/91/54/55/558915455.db2.gz OJCPLSUAIPAHEA-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000004716053 558915501 /nfs/dbraw/zinc/91/55/01/558915501.db2.gz ROHLEPAAHCAKJO-JWQCQUIFSA-N 0 0 406.489 5.108 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004716352 558915692 /nfs/dbraw/zinc/91/56/92/558915692.db2.gz DWEJLBVGQCMWOF-HSZRJFAPSA-N 0 0 416.477 5.219 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004716355 558915698 /nfs/dbraw/zinc/91/56/98/558915698.db2.gz DWEJLBVGQCMWOF-QHCPKHFHSA-N 0 0 416.477 5.219 50 0 HKAARN COc1c(CC=C(C)C)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C ZINC000004716496 291293571 /nfs/dbraw/zinc/29/35/71/291293571.db2.gz JHEBMTRMMJXPTM-QHCPKHFHSA-N 0 0 422.521 5.830 50 0 biogenic,in-vitro HKAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)c1 ZINC000004716809 558915844 /nfs/dbraw/zinc/91/58/44/558915844.db2.gz FXLRZYPJDIIDHS-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN CC1(c2ccccc2)COC2(OC1)c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000004717127 558915906 /nfs/dbraw/zinc/91/59/06/558915906.db2.gz 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558916015 /nfs/dbraw/zinc/91/60/15/558916015.db2.gz CLLWSFABCMUXID-NRFANRHFSA-N 0 0 412.714 6.407 50 0 HKAARN Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1 ZINC000004718347 558916071 /nfs/dbraw/zinc/91/60/71/558916071.db2.gz CCFWWYOTIWRJHG-UHFFFAOYSA-N 0 0 403.485 6.253 50 0 HKAARN CCCc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3Br)cc2)nc1 ZINC000004718417 558915977 /nfs/dbraw/zinc/91/59/77/558915977.db2.gz QECMBWNMJNTSHF-UHFFFAOYSA-N 0 0 409.327 6.024 50 0 HKAARN COc1ccc(C(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1 ZINC000004718516 557586378 /nfs/dbraw/zinc/58/63/78/557586378.db2.gz LAAISSXWTMTUIH-UHFFFAOYSA-N 0 0 418.562 5.586 50 0 HKAARN Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3cccs3)C2)cc1 ZINC000004718913 557586305 /nfs/dbraw/zinc/58/63/05/557586305.db2.gz VCRWKBAHQYAFOX-SFHVURJKSA-N 0 0 407.753 7.064 50 0 HKAARN Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3cccs3)C2)cc1 ZINC000004718914 557586348 /nfs/dbraw/zinc/58/63/48/557586348.db2.gz VCRWKBAHQYAFOX-GOSISDBHSA-N 0 0 407.753 7.064 50 0 HKAARN 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c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@@H]24)cc1 ZINC000004729854 558986461 /nfs/dbraw/zinc/98/64/61/558986461.db2.gz SZOCNTHWLVFMCN-HWUUJZMBSA-N 0 0 405.541 6.927 50 0 HKAARN c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@H]24)cc1 ZINC000004729858 558986534 /nfs/dbraw/zinc/98/65/34/558986534.db2.gz SZOCNTHWLVFMCN-VQFWCGETSA-N 0 0 405.541 6.927 50 0 HKAARN CC(=O)O/N=C(\C)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004731250 559032038 /nfs/dbraw/zinc/03/20/38/559032038.db2.gz IYRSSYWRXNNHCW-XKVFKMCPSA-N 0 0 413.558 5.356 50 0 biogenic HKAARN CC(=O)O/N=C(\C)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004731252 559032089 /nfs/dbraw/zinc/03/20/89/559032089.db2.gz IYRSSYWRXNNHCW-VQJSVKSESA-N 0 0 413.558 5.356 50 0 biogenic HKAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004731438 557587864 /nfs/dbraw/zinc/58/78/64/557587864.db2.gz IETKXVASRIOTQI-QHCPKHFHSA-N 0 0 411.461 5.291 50 0 HKAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000004731439 557587879 /nfs/dbraw/zinc/58/78/79/557587879.db2.gz IETKXVASRIOTQI-HSZRJFAPSA-N 0 0 411.461 5.291 50 0 HKAARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004731474 557587857 /nfs/dbraw/zinc/58/78/57/557587857.db2.gz OBPWWVJCTZVVPA-JOCHJYFZSA-N 0 0 405.498 5.066 50 0 HKAARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004731475 557587854 /nfs/dbraw/zinc/58/78/54/557587854.db2.gz OBPWWVJCTZVVPA-QFIPXVFZSA-N 0 0 405.498 5.066 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000004731518 557587898 /nfs/dbraw/zinc/58/78/98/557587898.db2.gz KNKWVRFITFPPOT-XMMPIXPASA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000004731519 557587860 /nfs/dbraw/zinc/58/78/60/557587860.db2.gz KNKWVRFITFPPOT-DEOSSOPVSA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 ZINC000004731520 557587881 /nfs/dbraw/zinc/58/78/81/557587881.db2.gz ARLONHGZSUPGRR-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)cc1 ZINC000004731521 557587810 /nfs/dbraw/zinc/58/78/10/557587810.db2.gz ARLONHGZSUPGRR-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004731524 557587830 /nfs/dbraw/zinc/58/78/30/557587830.db2.gz NOSGYWUKDBBQPQ-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004731525 557587845 /nfs/dbraw/zinc/58/78/45/557587845.db2.gz NOSGYWUKDBBQPQ-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN CCc1sc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)nc1-c1ccccc1 ZINC000004731898 557588228 /nfs/dbraw/zinc/58/82/28/557588228.db2.gz ZDEMMLYSXQUNIY-UHFFFAOYSA-N 0 0 421.566 6.000 50 0 HKAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc3ccccc32)cc1 ZINC000004732453 559032737 /nfs/dbraw/zinc/03/27/37/559032737.db2.gz ZECPFLFHDDLFQF-UHFFFAOYSA-N 0 0 419.488 5.102 50 0 HKAARN Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000004732479 559033101 /nfs/dbraw/zinc/03/31/01/559033101.db2.gz FKJCMIBQFWWDRG-UHFFFAOYSA-N 0 0 411.509 5.073 50 0 HKAARN Cc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 ZINC000004732489 559033128 /nfs/dbraw/zinc/03/31/28/559033128.db2.gz NDHYHKKNKOTPHI-UHFFFAOYSA-N 0 0 411.509 5.073 50 0 HKAARN CCCCN1C(=S)S[C@H](N(O)C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000004732501 559033262 /nfs/dbraw/zinc/03/32/62/559033262.db2.gz UANVGWMSOBEICU-KRWDZBQOSA-N 0 0 403.573 5.301 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2)cc1 ZINC000004732503 559033246 /nfs/dbraw/zinc/03/32/46/559033246.db2.gz OTHPTIFLZNLTGD-NTCAYCPXSA-N 0 0 423.520 5.429 50 0 HKAARN CCCCN1C(=S)S[C@@H](N(O)C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000004732504 559033231 /nfs/dbraw/zinc/03/32/31/559033231.db2.gz UANVGWMSOBEICU-QGZVFWFLSA-N 0 0 403.573 5.301 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2cnccn21 ZINC000004733442 559033482 /nfs/dbraw/zinc/03/34/82/559033482.db2.gz ATLFWSYDJHNNLC-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN CSc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733622 559033660 /nfs/dbraw/zinc/03/36/60/559033660.db2.gz ZRCGXKHOJYVERW-UHFFFAOYSA-N 0 0 403.507 5.546 50 0 HKAARN Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733640 559033627 /nfs/dbraw/zinc/03/36/27/559033627.db2.gz BORJWQKIKZVABJ-UHFFFAOYSA-N 0 0 409.848 5.617 50 0 HKAARN CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733642 559033646 /nfs/dbraw/zinc/03/36/46/559033646.db2.gz GLXAGUUWOUOTBV-UHFFFAOYSA-N 0 0 403.507 5.546 50 0 HKAARN Cc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733665 559033620 /nfs/dbraw/zinc/03/36/20/559033620.db2.gz NWAPYHAJMDVDLE-UHFFFAOYSA-N 0 0 409.848 5.617 50 0 HKAARN CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733669 559033590 /nfs/dbraw/zinc/03/35/90/559033590.db2.gz LACDNOLTCAAUQK-UHFFFAOYSA-N 0 0 403.507 5.546 50 0 HKAARN Clc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733675 559033612 /nfs/dbraw/zinc/03/36/12/559033612.db2.gz VZALXRBGSUWDTI-UHFFFAOYSA-N 0 0 416.868 5.651 50 0 HKAARN CCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)Nc1ccccc1OC ZINC000004733689 559033606 /nfs/dbraw/zinc/03/36/06/559033606.db2.gz ROSHYPAPKRWQBS-UHFFFAOYSA-N 0 0 409.505 5.518 50 0 HKAARN COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733691 559033602 /nfs/dbraw/zinc/03/36/02/559033602.db2.gz KCGMMMVXBGPMGX-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733706 559033664 /nfs/dbraw/zinc/03/36/64/559033664.db2.gz UCDDPDKEBIXRCF-UHFFFAOYSA-N 0 0 420.900 5.236 50 0 HKAARN Clc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733709 559033707 /nfs/dbraw/zinc/03/37/07/559033707.db2.gz NCCZXNAJQYHOBX-UHFFFAOYSA-N 0 0 412.276 5.823 50 0 HKAARN Clc1cccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004733711 559033724 /nfs/dbraw/zinc/03/37/24/559033724.db2.gz VVZIVSLFEDSOIB-UHFFFAOYSA-N 0 0 412.276 5.823 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(Br)ccc1F)c2Nc1ccccc1C ZINC000004733736 559033703 /nfs/dbraw/zinc/03/37/03/559033703.db2.gz JKVOCUVOFIXKNV-UHFFFAOYSA-N 0 0 410.290 6.263 50 0 HKAARN Cc1ccc2nc(-c3cc(Br)ccc3F)c(Nc3ccccc3C)n2c1 ZINC000004733765 559033715 /nfs/dbraw/zinc/03/37/15/559033715.db2.gz DDLVCQUAHYCSES-UHFFFAOYSA-N 0 0 410.290 6.263 50 0 HKAARN Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)nc2cccc(C)n21 ZINC000004733784 559033712 /nfs/dbraw/zinc/03/37/12/559033712.db2.gz UILVVJHHWJUEJL-UHFFFAOYSA-N 0 0 410.290 6.263 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(Cl)cn21 ZINC000004733807 559033698 /nfs/dbraw/zinc/03/36/98/559033698.db2.gz QYUKRDYQAFHWFV-UHFFFAOYSA-N 0 0 418.928 5.543 50 0 HKAARN Cc1ccccc1Nc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn21 ZINC000004733817 559033747 /nfs/dbraw/zinc/03/37/47/559033747.db2.gz LYSWESFHDAYJQO-UHFFFAOYSA-N 0 0 412.718 6.469 50 0 HKAARN COc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)cc1 ZINC000004733847 559033731 /nfs/dbraw/zinc/03/37/31/559033731.db2.gz XMAUTPRWYNVNOX-UHFFFAOYSA-N 0 0 408.299 5.824 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn21 ZINC000004733857 559033743 /nfs/dbraw/zinc/03/37/43/559033743.db2.gz GRQDCCCGCNMRPJ-UHFFFAOYSA-N 0 0 412.718 6.469 50 0 HKAARN Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn21 ZINC000004733860 559033700 /nfs/dbraw/zinc/03/37/00/559033700.db2.gz YUGBYIWUQFOWBR-UHFFFAOYSA-N 0 0 412.718 6.469 50 0 HKAARN ClC(Cl)(Cl)[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004733879 559033706 /nfs/dbraw/zinc/03/37/06/559033706.db2.gz QPZSAVAYKSCRPA-IBGZPJMESA-N 0 0 404.724 6.117 50 0 HKAARN ClC(Cl)(Cl)[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004733880 559033730 /nfs/dbraw/zinc/03/37/30/559033730.db2.gz QPZSAVAYKSCRPA-LJQANCHMSA-N 0 0 404.724 6.117 50 0 HKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004733905 559033808 /nfs/dbraw/zinc/03/38/08/559033808.db2.gz GSKQYQKELPCCGQ-UHFFFAOYSA-N 0 0 409.580 5.306 50 0 HKAARN Brc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004733931 559033837 /nfs/dbraw/zinc/03/38/37/559033837.db2.gz NQIUEXGMAUSQSD-UHFFFAOYSA-N 0 0 408.255 5.236 50 0 HKAARN CC(C)c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn32)cc1 ZINC000004734122 559033835 /nfs/dbraw/zinc/03/38/35/559033835.db2.gz UTRUHBFWIVBIGP-UHFFFAOYSA-N 0 0 413.525 5.100 50 0 HKAARN CCN(CC)c1ccc(C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1 ZINC000004734163 557588865 /nfs/dbraw/zinc/58/88/65/557588865.db2.gz UZLVWFBPDXMRGC-UHFFFAOYSA-N 0 0 404.558 5.488 50 0 HKAARN Clc1ccc(CNc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000004734181 559033851 /nfs/dbraw/zinc/03/38/51/559033851.db2.gz KFIKHLICJVIAPW-UHFFFAOYSA-N 0 0 413.973 7.597 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc23)cc1 ZINC000004734204 557588822 /nfs/dbraw/zinc/58/88/22/557588822.db2.gz KIHNEYJVCUMDRO-UHFFFAOYSA-N 0 0 421.859 6.032 50 0 HKAARN Cc1cc(C)n2c(nc(-c3cc(Br)ccc3O)c2Nc2ccccc2)n1 ZINC000004734207 559033824 /nfs/dbraw/zinc/03/38/24/559033824.db2.gz OCVFCSJSCVIWOF-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3F)c3ccccc23)cc1 ZINC000004734209 557588841 /nfs/dbraw/zinc/58/88/41/557588841.db2.gz CQCUSZVVZOUJJC-UHFFFAOYSA-N 0 0 405.404 5.518 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3Cl)c3ccccc23)cc1 ZINC000004734216 557588868 /nfs/dbraw/zinc/58/88/68/557588868.db2.gz VYDDAPTYCLOAFZ-UHFFFAOYSA-N 0 0 421.859 6.032 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2nc(C)cc(C)n21 ZINC000004734232 557588879 /nfs/dbraw/zinc/58/88/79/557588879.db2.gz SOZKTICRMGJEOW-UHFFFAOYSA-N 0 0 402.498 5.342 50 0 HKAARN Cc1ccc(C)c(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)c1 ZINC000004734235 559033803 /nfs/dbraw/zinc/03/38/03/559033803.db2.gz KDDWQKNSWDTHSF-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)c(C)c1 ZINC000004734238 559033878 /nfs/dbraw/zinc/03/38/78/559033878.db2.gz YSTSQCMDBZLUPJ-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000004734252 557588882 /nfs/dbraw/zinc/58/88/82/557588882.db2.gz JLQFXTOIDISWGU-SEPYTNNBSA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000004734254 557588818 /nfs/dbraw/zinc/58/88/18/557588818.db2.gz JLQFXTOIDISWGU-YGKZAACZSA-N 0 0 403.526 5.542 50 0 HKAARN CCOc1ccc(NC(=O)c2cnc(Nc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000004734270 557588876 /nfs/dbraw/zinc/58/88/76/557588876.db2.gz KYHYHYKJRGRMMN-UHFFFAOYSA-N 0 0 413.477 5.638 50 0 HKAARN CCOc1ccccc1NC(=O)c1cnc(Nc2ccc(OC)cc2)c2ccccc12 ZINC000004734280 557588832 /nfs/dbraw/zinc/58/88/32/557588832.db2.gz ZXGKXVGZENEKFB-UHFFFAOYSA-N 0 0 413.477 5.638 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)Nc3cc(C)ccc3OC)c3ccccc23)cc1 ZINC000004734289 557588858 /nfs/dbraw/zinc/58/88/58/557588858.db2.gz UJUXLRGMWAKQIH-UHFFFAOYSA-N 0 0 413.477 5.556 50 0 aggregator HKAARN COc1ccc(Nc2ncc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc23)cc1 ZINC000004734303 557588837 /nfs/dbraw/zinc/58/88/37/557588837.db2.gz SSZPGZMLDHFOBS-UHFFFAOYSA-N 0 0 411.505 6.363 50 0 HKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000004734311 557588825 /nfs/dbraw/zinc/58/88/25/557588825.db2.gz KERUVCLJIKCENJ-UHFFFAOYSA-N 0 0 402.542 5.098 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000004734317 557588861 /nfs/dbraw/zinc/58/88/61/557588861.db2.gz MLACDPYTLQZYQR-UHFFFAOYSA-N 0 0 418.850 5.142 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3sccn32)c(C)c1 ZINC000004734345 559033813 /nfs/dbraw/zinc/03/38/13/559033813.db2.gz KSWLAMVHPDWYIW-UHFFFAOYSA-N 0 0 414.328 5.891 50 0 HKAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3sccn32)cc1C ZINC000004734351 559033821 /nfs/dbraw/zinc/03/38/21/559033821.db2.gz GTLCQLCBWYUTLU-UHFFFAOYSA-N 0 0 404.539 5.260 50 0 HKAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)Nc1ccc(Cl)cc1 ZINC000004734474 559034039 /nfs/dbraw/zinc/03/40/39/559034039.db2.gz DUCOIFRORSZMIA-QHCPKHFHSA-N 0 0 415.880 5.005 50 0 HKAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)Nc1ccc(Cl)cc1 ZINC000004734475 559034021 /nfs/dbraw/zinc/03/40/21/559034021.db2.gz DUCOIFRORSZMIA-HSZRJFAPSA-N 0 0 415.880 5.005 50 0 HKAARN CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000004734499 559034057 /nfs/dbraw/zinc/03/40/57/559034057.db2.gz RBGPUJLXMNIWDU-SANMLTNESA-N 0 0 423.516 5.475 50 0 HKAARN CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000004734500 559034066 /nfs/dbraw/zinc/03/40/66/559034066.db2.gz RBGPUJLXMNIWDU-AREMUKBSSA-N 0 0 423.516 5.475 50 0 HKAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3c(Cl)cccc3Cl)n2)cc1 ZINC000004734890 559034256 /nfs/dbraw/zinc/03/42/56/559034256.db2.gz DCGFHNFZFYVOJW-INIZCTEOSA-N 0 0 417.296 5.721 50 0 HKAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3c(Cl)cccc3Cl)n2)cc1 ZINC000004734892 559034203 /nfs/dbraw/zinc/03/42/03/559034203.db2.gz DCGFHNFZFYVOJW-MRXNPFEDSA-N 0 0 417.296 5.721 50 0 HKAARN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCc1ccccc1 ZINC000004735036 559034250 /nfs/dbraw/zinc/03/42/50/559034250.db2.gz RPAPKAGBKNXXSF-UHFFFAOYSA-N 0 0 406.869 5.221 50 0 HKAARN Brc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000004735080 559034235 /nfs/dbraw/zinc/03/42/35/559034235.db2.gz JIBPJTQLHHZUPZ-UHFFFAOYSA-N 0 0 408.255 5.236 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3F)nc3ccc(C)cn32)cc1 ZINC000004735107 559034271 /nfs/dbraw/zinc/03/42/71/559034271.db2.gz DPQWSYNQCCTCGQ-UHFFFAOYSA-N 0 0 410.290 6.263 50 0 HKAARN Cc1ccc(Nc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn32)cc1 ZINC000004735118 559034043 /nfs/dbraw/zinc/03/40/43/559034043.db2.gz PWZIZRKLURNIKC-UHFFFAOYSA-N 0 0 412.718 6.469 50 0 HKAARN CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735123 559034267 /nfs/dbraw/zinc/03/42/67/559034267.db2.gz PIBTUZGGSQQERJ-UHFFFAOYSA-N 0 0 406.873 5.193 50 0 HKAARN CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735124 559034239 /nfs/dbraw/zinc/03/42/39/559034239.db2.gz CHPGQGRGGGIWHS-UHFFFAOYSA-N 0 0 409.898 5.849 50 0 HKAARN COc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1 ZINC000004735137 559034317 /nfs/dbraw/zinc/03/43/17/559034317.db2.gz YVRFKDNXKJDQGY-UHFFFAOYSA-N 0 0 408.299 5.824 50 0 HKAARN Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn32)cc1 ZINC000004735140 559034324 /nfs/dbraw/zinc/03/43/24/559034324.db2.gz FZOBONQOKNCKSN-UHFFFAOYSA-N 0 0 412.718 6.469 50 0 HKAARN Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)c1 ZINC000004735180 559033929 /nfs/dbraw/zinc/03/39/29/559033929.db2.gz QZCHGGSQELLJMD-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735739 559034735 /nfs/dbraw/zinc/03/47/35/559034735.db2.gz NPSHTVNVJHMSRR-QGZVFWFLSA-N 0 0 411.567 6.083 50 0 HKAARN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 ZINC000004735740 559034714 /nfs/dbraw/zinc/03/47/14/559034714.db2.gz NPSHTVNVJHMSRR-KRWDZBQOSA-N 0 0 411.567 6.083 50 0 HKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CCC3 ZINC000004735763 559034889 /nfs/dbraw/zinc/03/48/89/559034889.db2.gz DYZFUKUFTIPXSB-UHFFFAOYSA-N 0 0 411.523 5.359 50 0 HKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[C@@H](C)CC3 ZINC000004735765 559034854 /nfs/dbraw/zinc/03/48/54/559034854.db2.gz DALOPPRTBIUXMW-HNNXBMFYSA-N 0 0 411.567 5.964 50 0 HKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[C@H](C)CC3 ZINC000004735766 559034910 /nfs/dbraw/zinc/03/49/10/559034910.db2.gz DALOPPRTBIUXMW-OAHLLOKOSA-N 0 0 411.567 5.964 50 0 HKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CC(C)(C)C3 ZINC000004735771 559034893 /nfs/dbraw/zinc/03/48/93/559034893.db2.gz QXCZYIHXUSSDMR-UHFFFAOYSA-N 0 0 417.914 5.351 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@H](C(C)(C)C)CC2)cc1 ZINC000004735777 559034926 /nfs/dbraw/zinc/03/49/26/559034926.db2.gz QWMJTOQAXOXZRJ-QGZVFWFLSA-N 0 0 411.567 6.001 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@@H](C(C)(C)C)CC2)cc1 ZINC000004735778 559034883 /nfs/dbraw/zinc/03/48/83/559034883.db2.gz QWMJTOQAXOXZRJ-KRWDZBQOSA-N 0 0 411.567 6.001 50 0 HKAARN CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc21 ZINC000004735812 559035022 /nfs/dbraw/zinc/03/50/22/559035022.db2.gz ABNQMKJDYGDDLV-UHFFFAOYSA-N 0 0 415.511 5.197 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3c2C1 ZINC000004735819 559035030 /nfs/dbraw/zinc/03/50/30/559035030.db2.gz NMRWMICEXCXJHI-QGZVFWFLSA-N 0 0 411.567 6.083 50 0 HKAARN CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3c2C1 ZINC000004735820 559034994 /nfs/dbraw/zinc/03/49/94/559034994.db2.gz NMRWMICEXCXJHI-KRWDZBQOSA-N 0 0 411.567 6.083 50 0 HKAARN CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000004735826 559035007 /nfs/dbraw/zinc/03/50/07/559035007.db2.gz ZEKJKPLTXSFHKF-UHFFFAOYSA-N 0 0 415.511 5.116 50 0 HKAARN CC(C)n1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1 ZINC000004736116 560736146 /nfs/dbraw/zinc/73/61/46/560736146.db2.gz NKAIKFZELMPJIB-UHFFFAOYSA-N 0 0 411.314 5.157 50 0 HKAARN CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000004736614 559036538 /nfs/dbraw/zinc/03/65/38/559036538.db2.gz DJWAQFIYRDOXRW-UHFFFAOYSA-N 0 0 409.511 5.078 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](c2ccc(F)cc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000004736629 557589165 /nfs/dbraw/zinc/58/91/65/557589165.db2.gz QTYSBJGPAGSUKG-INIZCTEOSA-N 0 0 405.860 5.410 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000004736630 557589193 /nfs/dbraw/zinc/58/91/93/557589193.db2.gz QTYSBJGPAGSUKG-MRXNPFEDSA-N 0 0 405.860 5.410 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccccc2C)CC3=O)c1-c1ccc(Cl)cc1 ZINC000004736631 557589215 /nfs/dbraw/zinc/58/92/15/557589215.db2.gz MJXHSIRLYKWDGL-QGZVFWFLSA-N 0 0 401.897 5.579 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](c2ccccc2C)CC3=O)c1-c1ccc(Cl)cc1 ZINC000004736632 557589153 /nfs/dbraw/zinc/58/91/53/557589153.db2.gz MJXHSIRLYKWDGL-KRWDZBQOSA-N 0 0 401.897 5.579 50 0 HKAARN CN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000004736784 132286341 /nfs/dbraw/zinc/28/63/41/132286341.db2.gz YQRYJBIPOUYHID-UHFFFAOYSA-N 0 0 414.336 5.151 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000004736791 559036547 /nfs/dbraw/zinc/03/65/47/559036547.db2.gz LNOPSADQUJDFMV-KPKJPENVSA-N 0 0 402.460 6.081 50 0 HKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000004737035 557589440 /nfs/dbraw/zinc/58/94/40/557589440.db2.gz XOSKEOKXYUSCAE-HSZRJFAPSA-N 0 0 413.452 5.165 50 0 HKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000004737036 557589435 /nfs/dbraw/zinc/58/94/35/557589435.db2.gz XOSKEOKXYUSCAE-QHCPKHFHSA-N 0 0 413.452 5.165 50 0 HKAARN Cc1ccc2nc(Nc3nc(C)c(Cc4ccc(C(C)C)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000004737087 557589463 /nfs/dbraw/zinc/58/94/63/557589463.db2.gz ZNCKFLOEGGBPOS-UHFFFAOYSA-N 0 0 413.525 5.096 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000004738941 559043057 /nfs/dbraw/zinc/04/30/57/559043057.db2.gz NYBSMHDHQGZYOU-DEOSSOPVSA-N 0 0 410.473 5.403 50 0 HKAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000004738942 559043047 /nfs/dbraw/zinc/04/30/47/559043047.db2.gz NYBSMHDHQGZYOU-XMMPIXPASA-N 0 0 410.473 5.403 50 0 HKAARN CCCCCc1ccc(-c2cn3nc(C4CCC(CCCC)CC4)sc3n2)cc1 ZINC000004739185 559043099 /nfs/dbraw/zinc/04/30/99/559043099.db2.gz YWOYTGCLTBBSHH-UHFFFAOYSA-N 0 0 409.643 7.655 50 0 HKAARN CCOc1cc(C=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000004739218 557590191 /nfs/dbraw/zinc/59/01/91/557590191.db2.gz RKMUWOGHEQIAGH-UHFFFAOYSA-N 0 0 414.093 5.002 50 0 HKAARN O=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004739234 559043036 /nfs/dbraw/zinc/04/30/36/559043036.db2.gz AEWLHJUNCLKUJL-UHFFFAOYSA-N 0 0 404.485 5.257 50 0 HKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000004739308 557590209 /nfs/dbraw/zinc/59/02/09/557590209.db2.gz ZVQUPDVXQCCMTP-UHFFFAOYSA-N 0 0 410.256 6.019 50 0 HKAARN O=C(COc1ccccc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000004739309 557590180 /nfs/dbraw/zinc/59/01/80/557590180.db2.gz QRARREBAYUSROK-UHFFFAOYSA-N 0 0 405.837 5.131 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000004739354 559043093 /nfs/dbraw/zinc/04/30/93/559043093.db2.gz 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ZINC000004740507 557590512 /nfs/dbraw/zinc/59/05/12/557590512.db2.gz WZKGOYWVXXEQON-UHFFFAOYSA-N 0 0 406.507 5.312 50 0 HKAARN O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004740690 559044008 /nfs/dbraw/zinc/04/40/08/559044008.db2.gz NZPKLVCCKFFQBD-UHFFFAOYSA-N 0 0 406.865 5.396 50 0 HKAARN Cc1ccccc1-c1nnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000004740819 557590667 /nfs/dbraw/zinc/59/06/67/557590667.db2.gz SOWAWOVFUQZPJA-UHFFFAOYSA-N 0 0 402.475 5.812 50 0 HKAARN O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccccc1 ZINC000004741060 559044101 /nfs/dbraw/zinc/04/41/01/559044101.db2.gz JGZAUGVFNZTQBD-UHFFFAOYSA-N 0 0 411.299 5.079 50 0 HKAARN COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000004741118 559044164 /nfs/dbraw/zinc/04/41/64/559044164.db2.gz MVFGRZAOZQJTND-UHFFFAOYSA-N 0 0 408.473 5.081 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000004741154 557590689 /nfs/dbraw/zinc/59/06/89/557590689.db2.gz MWCNTAKAGXRMKX-UHFFFAOYSA-N 0 0 419.912 6.024 50 0 HKAARN O=C(Nc1ccc(I)cc1)c1cccc2c(Cl)cccc12 ZINC000004741155 557590701 /nfs/dbraw/zinc/59/07/01/557590701.db2.gz DETIGCURAVHKJO-UHFFFAOYSA-N 0 0 407.638 5.350 50 0 HKAARN Cc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 ZINC000004741167 559044199 /nfs/dbraw/zinc/04/41/99/559044199.db2.gz AZRPFZKWNSVFKU-UHFFFAOYSA-N 0 0 411.939 5.538 50 0 HKAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000004741174 557590660 /nfs/dbraw/zinc/59/06/60/557590660.db2.gz YLMNRIYBBDQDRA-CYBMUJFWSA-N 0 0 412.942 5.839 50 0 HKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000004741175 557590680 /nfs/dbraw/zinc/59/06/80/557590680.db2.gz YLMNRIYBBDQDRA-ZDUSSCGKSA-N 0 0 412.942 5.839 50 0 HKAARN COc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000004741182 557590657 /nfs/dbraw/zinc/59/06/57/557590657.db2.gz ICTYBHHOQZZWAA-UHFFFAOYSA-N 0 0 410.901 5.246 50 0 HKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000004741195 557590674 /nfs/dbraw/zinc/59/06/74/557590674.db2.gz ZASOAYYAQDAEKX-SNVBAGLBSA-N 0 0 415.704 5.401 50 0 HKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000004741196 557590697 /nfs/dbraw/zinc/59/06/97/557590697.db2.gz ZASOAYYAQDAEKX-JTQLQIEISA-N 0 0 415.704 5.401 50 0 HKAARN COc1ccc(CNc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000004741293 557590699 /nfs/dbraw/zinc/59/06/99/557590699.db2.gz LDZCJHWTRZWEJI-LJQANCHMSA-N 0 0 415.537 5.308 50 0 HKAARN COc1ccc(CNc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 ZINC000004741294 557590648 /nfs/dbraw/zinc/59/06/48/557590648.db2.gz LDZCJHWTRZWEJI-IBGZPJMESA-N 0 0 415.537 5.308 50 0 HKAARN CCOC(=O)c1ccc(Nc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000004741340 557590818 /nfs/dbraw/zinc/59/08/18/557590818.db2.gz VFGCIVSCRRDTOQ-UHFFFAOYSA-N 0 0 418.880 5.769 50 0 HKAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)OCC ZINC000004741588 557590893 /nfs/dbraw/zinc/59/08/93/557590893.db2.gz NCYOKWUKAHDOMQ-QHCPKHFHSA-N 0 0 403.526 5.792 50 0 HKAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(C(C)C)cc2)C1C(=O)OCC ZINC000004741589 557590811 /nfs/dbraw/zinc/59/08/11/557590811.db2.gz NCYOKWUKAHDOMQ-HSZRJFAPSA-N 0 0 403.526 5.792 50 0 HKAARN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000004741893 557590849 /nfs/dbraw/zinc/59/08/49/557590849.db2.gz GOYOWLCTKPZFNK-XMMPIXPASA-N 0 0 408.505 5.526 50 0 HKAARN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000004741894 557590801 /nfs/dbraw/zinc/59/08/01/557590801.db2.gz GOYOWLCTKPZFNK-DEOSSOPVSA-N 0 0 408.505 5.526 50 0 HKAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000004741988 557590779 /nfs/dbraw/zinc/59/07/79/557590779.db2.gz SPAMVAYPLCUIAD-UHFFFAOYSA-N 0 0 421.500 6.017 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 ZINC000004742047 557590919 /nfs/dbraw/zinc/59/09/19/557590919.db2.gz OINXBIWKULPDFD-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 ZINC000004742048 557590932 /nfs/dbraw/zinc/59/09/32/557590932.db2.gz OINXBIWKULPDFD-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000004742049 557590938 /nfs/dbraw/zinc/59/09/38/557590938.db2.gz ABBJJBHXBHIYKL-XMMPIXPASA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000004742050 557590827 /nfs/dbraw/zinc/59/08/27/557590827.db2.gz ABBJJBHXBHIYKL-DEOSSOPVSA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000004742051 557590910 /nfs/dbraw/zinc/59/09/10/557590910.db2.gz PYWPHQNUXXSFDH-XMMPIXPASA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000004742052 557591140 /nfs/dbraw/zinc/59/11/40/557591140.db2.gz PYWPHQNUXXSFDH-DEOSSOPVSA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004742055 557591167 /nfs/dbraw/zinc/59/11/67/557591167.db2.gz ZGAPYHXAIPPAKC-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004742056 557591146 /nfs/dbraw/zinc/59/11/46/557591146.db2.gz ZGAPYHXAIPPAKC-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c3ccccc3nc2N1 ZINC000004742057 557591117 /nfs/dbraw/zinc/59/11/17/557591117.db2.gz YLLUIODRBAWAPM-QFIPXVFZSA-N 0 0 416.431 5.242 50 0 HKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c3ccccc3nc2N1 ZINC000004742058 557591185 /nfs/dbraw/zinc/59/11/85/557591185.db2.gz YLLUIODRBAWAPM-JOCHJYFZSA-N 0 0 416.431 5.242 50 0 HKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(F)c2)n2c3ccccc3nc2N1 ZINC000004742059 557591199 /nfs/dbraw/zinc/59/11/99/557591199.db2.gz ZSDFRRSAEDBQTP-QFIPXVFZSA-N 0 0 416.431 5.242 50 0 HKAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(F)c2)n2c3ccccc3nc2N1 ZINC000004742060 557591111 /nfs/dbraw/zinc/59/11/11/557591111.db2.gz ZSDFRRSAEDBQTP-JOCHJYFZSA-N 0 0 416.431 5.242 50 0 HKAARN Cc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000004742061 557591181 /nfs/dbraw/zinc/59/11/81/557591181.db2.gz AINJVOLWYOSZFO-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000004742062 557591100 /nfs/dbraw/zinc/59/11/00/557591100.db2.gz AINJVOLWYOSZFO-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004742063 557591197 /nfs/dbraw/zinc/59/11/97/557591197.db2.gz LVNWNPPMRVQPQB-XMMPIXPASA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004742064 557591106 /nfs/dbraw/zinc/59/11/06/557591106.db2.gz LVNWNPPMRVQPQB-DEOSSOPVSA-N 0 0 408.505 5.581 50 0 HKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000004742067 557591201 /nfs/dbraw/zinc/59/12/01/557591201.db2.gz IKYBHDSMXDJIPD-HSZRJFAPSA-N 0 0 412.468 5.411 50 0 HKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000004742068 557591094 /nfs/dbraw/zinc/59/10/94/557591094.db2.gz IKYBHDSMXDJIPD-QHCPKHFHSA-N 0 0 412.468 5.411 50 0 HKAARN CCCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(CCC)cc3)n2)cc1 ZINC000004742143 559044604 /nfs/dbraw/zinc/04/46/04/559044604.db2.gz UXEOROKEULYYAY-UHFFFAOYSA-N 0 0 403.478 5.425 50 0 HKAARN CCCC1CCC(c2ccc(C(=O)Nc3nc4ccc(OCC)cc4s3)cc2)CC1 ZINC000004742179 559044689 /nfs/dbraw/zinc/04/46/89/559044689.db2.gz AVIBPKAPKFTURQ-UHFFFAOYSA-N 0 0 422.594 7.021 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(-c3ccccc3)nn21 ZINC000004742340 559044644 /nfs/dbraw/zinc/04/46/44/559044644.db2.gz TWWZTKIKDBGACU-UHFFFAOYSA-N 0 0 415.418 6.749 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1OCc1ccccc1 ZINC000004742599 559044670 /nfs/dbraw/zinc/04/46/70/559044670.db2.gz ZOISFEJUMVIQPA-UHFFFAOYSA-N 0 0 418.493 5.704 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000004742872 559044662 /nfs/dbraw/zinc/04/46/62/559044662.db2.gz VMRWVBSYVSRYBQ-CJAUYULYSA-N 0 0 417.553 5.046 50 0 HKAARN CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000004742884 559044811 /nfs/dbraw/zinc/04/48/11/559044811.db2.gz VMRWVBSYVSRYBQ-BVZFJXPGSA-N 0 0 417.553 5.046 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004742894 559044776 /nfs/dbraw/zinc/04/47/76/559044776.db2.gz VMRWVBSYVSRYBQ-IQGLISFBSA-N 0 0 417.553 5.046 50 0 HKAARN CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004742898 559044774 /nfs/dbraw/zinc/04/47/74/559044774.db2.gz VMRWVBSYVSRYBQ-AVRWGWEMSA-N 0 0 417.553 5.046 50 0 HKAARN CCCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000004742920 559044803 /nfs/dbraw/zinc/04/48/03/559044803.db2.gz RJDOYMNHOACIKQ-CJAUYULYSA-N 0 0 417.553 5.188 50 0 HKAARN CCCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000004742924 559044757 /nfs/dbraw/zinc/04/47/57/559044757.db2.gz RJDOYMNHOACIKQ-BVZFJXPGSA-N 0 0 417.553 5.188 50 0 HKAARN CCCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004742933 559044760 /nfs/dbraw/zinc/04/47/60/559044760.db2.gz RJDOYMNHOACIKQ-IQGLISFBSA-N 0 0 417.553 5.188 50 0 HKAARN CCCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000004742937 559044787 /nfs/dbraw/zinc/04/47/87/559044787.db2.gz RJDOYMNHOACIKQ-AVRWGWEMSA-N 0 0 417.553 5.188 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004743557 557591547 /nfs/dbraw/zinc/59/15/47/557591547.db2.gz MDNLCJQJOKTISX-RBBKRZOGSA-N 0 0 405.295 5.691 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004743562 557591557 /nfs/dbraw/zinc/59/15/57/557591557.db2.gz MDNLCJQJOKTISX-IFMALSPDSA-N 0 0 405.295 5.691 50 0 HKAARN O=C(CSc1nc2ccccc2o1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004743581 559046148 /nfs/dbraw/zinc/04/61/48/559046148.db2.gz VQWSMQVRXXDHQK-UHFFFAOYSA-N 0 0 403.459 5.013 50 0 HKAARN CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000004743652 559046299 /nfs/dbraw/zinc/04/62/99/559046299.db2.gz YWOXZAHRTAFHTB-RUZDIDTESA-N 0 0 403.541 7.112 50 0 HKAARN CCc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000004743661 559046256 /nfs/dbraw/zinc/04/62/56/559046256.db2.gz YWOXZAHRTAFHTB-VWLOTQADSA-N 0 0 403.541 7.112 50 0 HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 ZINC000004743726 559046278 /nfs/dbraw/zinc/04/62/78/559046278.db2.gz VBVQHQCVVYHHGJ-UHFFFAOYSA-N 0 0 409.869 5.058 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCc4ccccc4)c(=O)oc3c2C)c1C ZINC000004743801 559046246 /nfs/dbraw/zinc/04/62/46/559046246.db2.gz FGJPRQBPPLNKHZ-UHFFFAOYSA-N 0 0 403.478 5.022 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccc(C)cc3)c(=O)oc1c2C ZINC000004743815 559046236 /nfs/dbraw/zinc/04/62/36/559046236.db2.gz ZSVGHPVTHBQSOQ-UHFFFAOYSA-N 0 0 403.478 5.022 50 0 HKAARN COc1ccc(/C=C/C2=NN(c3ccccc3F)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004743842 559046239 /nfs/dbraw/zinc/04/62/39/559046239.db2.gz MDZJVQJFMPAUHC-FRHHVXPKSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccc(/C=C/C2=NN(c3ccccc3F)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000004743850 559046254 /nfs/dbraw/zinc/04/62/54/559046254.db2.gz MDZJVQJFMPAUHC-VISBSAOHSA-N 0 0 402.469 5.864 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccc1)occ3C(C)(C)C ZINC000004743900 559046251 /nfs/dbraw/zinc/04/62/51/559046251.db2.gz GOIWSYDWDSJRSP-UHFFFAOYSA-N 0 0 403.478 5.004 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccc(F)cc1)occ3C(C)(C)C ZINC000004743909 559046267 /nfs/dbraw/zinc/04/62/67/559046267.db2.gz IPKYIVWSRFVJPR-UHFFFAOYSA-N 0 0 421.468 5.143 50 0 HKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(Nc2ccccc2F)n1 ZINC000004744010 559046271 /nfs/dbraw/zinc/04/62/71/559046271.db2.gz KKTSYDSLQVWIBA-UHFFFAOYSA-N 0 0 407.253 6.106 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCCCC1)occ3-c1ccc(F)cc1 ZINC000004744423 559046347 /nfs/dbraw/zinc/04/63/47/559046347.db2.gz SXMNIJNUDLSQIC-UHFFFAOYSA-N 0 0 419.452 5.209 50 0 HKAARN Cc1[nH]c2ccccc2c1-c1cc2c3c(C)n(C4CCCCC4)c(C)c3c(C)nn2c1 ZINC000004744436 559046309 /nfs/dbraw/zinc/04/63/09/559046309.db2.gz LIMBCFFRYDJOQC-UHFFFAOYSA-N 0 0 410.565 7.176 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(F)c2)n1 ZINC000004745184 559046416 /nfs/dbraw/zinc/04/64/16/559046416.db2.gz HWNYWWPZUIXECE-UHFFFAOYSA-N 0 0 402.260 5.622 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(F)cc2)n1 ZINC000004745188 559046420 /nfs/dbraw/zinc/04/64/20/559046420.db2.gz SZGFRWDWTOJGAT-UHFFFAOYSA-N 0 0 402.260 5.622 50 0 HKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cccc(Br)c1 ZINC000004745976 560736278 /nfs/dbraw/zinc/73/62/78/560736278.db2.gz GOTVDYSSLSAQPB-UHFFFAOYSA-N 0 0 409.308 5.978 50 0 HKAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(Cl)cc1 ZINC000004746104 557591893 /nfs/dbraw/zinc/59/18/93/557591893.db2.gz LMIVFQXWQAZFRC-UHFFFAOYSA-N 0 0 403.261 5.240 50 0 HKAARN COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000004746166 132287086 /nfs/dbraw/zinc/28/70/86/132287086.db2.gz ZARRGFOODVRLPG-MHZLTWQESA-N 0 0 418.496 6.218 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(C(=O)c2ccccc2)c1 ZINC000004746417 559046647 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CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004783884 559062870 /nfs/dbraw/zinc/06/28/70/559062870.db2.gz CAFFSDQFPLKVRN-QGHHPUGFSA-N 0 0 409.382 6.635 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004783886 559062869 /nfs/dbraw/zinc/06/28/69/559062869.db2.gz CAFFSDQFPLKVRN-BTDLBPIBSA-N 0 0 409.382 6.635 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004783889 559062872 /nfs/dbraw/zinc/06/28/72/559062872.db2.gz CAFFSDQFPLKVRN-BMLIUANNSA-N 0 0 409.382 6.635 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000004783890 559062891 /nfs/dbraw/zinc/06/28/91/559062891.db2.gz CAFFSDQFPLKVRN-DYZYQPBXSA-N 0 0 409.382 6.635 50 0 HKAARN COc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000004783900 559062894 /nfs/dbraw/zinc/06/28/94/559062894.db2.gz JZKPOVKCXXICMA-QRQCRPRQSA-N 0 0 420.578 6.490 50 0 HKAARN COc1ccc2ccccc2c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000004783902 559062888 /nfs/dbraw/zinc/06/28/88/559062888.db2.gz JZKPOVKCXXICMA-NYHFZMIOSA-N 0 0 420.578 6.490 50 0 HKAARN COc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000004783904 559062945 /nfs/dbraw/zinc/06/29/45/559062945.db2.gz JZKPOVKCXXICMA-IVZQSRNASA-N 0 0 420.578 6.490 50 0 HKAARN COc1ccc2ccccc2c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000004783905 559062960 /nfs/dbraw/zinc/06/29/60/559062960.db2.gz JZKPOVKCXXICMA-OYHNWAKOSA-N 0 0 420.578 6.490 50 0 HKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000004783907 559062911 /nfs/dbraw/zinc/06/29/11/559062911.db2.gz ALOZYSCSEFAKGN-VLIAUNLRSA-N 0 0 414.571 5.735 50 0 HKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000004783909 559062928 /nfs/dbraw/zinc/06/29/28/559062928.db2.gz ALOZYSCSEFAKGN-JLTOFOAXSA-N 0 0 414.571 5.735 50 0 HKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1OC ZINC000004783911 559062936 /nfs/dbraw/zinc/06/29/36/559062936.db2.gz ALOZYSCSEFAKGN-XOBRGWDASA-N 0 0 414.571 5.735 50 0 HKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1OC ZINC000004783913 559062940 /nfs/dbraw/zinc/06/29/40/559062940.db2.gz ALOZYSCSEFAKGN-VBKZILBWSA-N 0 0 414.571 5.735 50 0 HKAARN CCOC(=O)Nc1ccc(NC(=O)c2cccc3c4ccccc4oc32)cc1OC ZINC000004783970 557597678 /nfs/dbraw/zinc/59/76/78/557597678.db2.gz XCVZNNYSPOPTBZ-UHFFFAOYSA-N 0 0 404.422 5.415 50 0 HKAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000004784243 559062941 /nfs/dbraw/zinc/06/29/41/559062941.db2.gz XWJHBTQKEDKNJZ-HHHXNRCGSA-N 0 0 413.517 5.126 50 0 HKAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000004784247 559063068 /nfs/dbraw/zinc/06/30/68/559063068.db2.gz XWJHBTQKEDKNJZ-MHZLTWQESA-N 0 0 413.517 5.126 50 0 HKAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000004784272 559063015 /nfs/dbraw/zinc/06/30/15/559063015.db2.gz KTBPSSMXVPVMPV-VKGTZQKMSA-N 0 0 421.496 5.093 50 0 HKAARN C[C@H](C(=O)c1ccccc1)[C@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000004784273 559062997 /nfs/dbraw/zinc/06/29/97/559062997.db2.gz KTBPSSMXVPVMPV-GDJIYFAZSA-N 0 0 421.496 5.093 50 0 HKAARN C[C@@H](C(=O)c1ccccc1)[C@@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000004784275 559063001 /nfs/dbraw/zinc/06/30/01/559063001.db2.gz KTBPSSMXVPVMPV-HMILPKGGSA-N 0 0 421.496 5.093 50 0 HKAARN C[C@H](C(=O)c1ccccc1)[C@@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000004784276 559063056 /nfs/dbraw/zinc/06/30/56/559063056.db2.gz KTBPSSMXVPVMPV-WHLCRQNOSA-N 0 0 421.496 5.093 50 0 HKAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3O[C@H]4CCCC[C@H]4c4sccc43)o2)cc1 ZINC000004784294 557597754 /nfs/dbraw/zinc/59/77/54/557597754.db2.gz CRUCRXHYCUGCRX-PIPMEXSNSA-N 0 0 408.519 6.331 50 0 HKAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3O[C@H]4CCCC[C@@H]4c4sccc43)o2)cc1 ZINC000004784297 557597720 /nfs/dbraw/zinc/59/77/20/557597720.db2.gz CRUCRXHYCUGCRX-RBDMOPTHSA-N 0 0 408.519 6.331 50 0 HKAARN COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000004784301 557597745 /nfs/dbraw/zinc/59/77/45/557597745.db2.gz HKUBQVLWDXNOTL-IZIIKQMZSA-N 0 0 406.547 6.482 50 0 HKAARN COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000004784305 557597751 /nfs/dbraw/zinc/59/77/51/557597751.db2.gz HKUBQVLWDXNOTL-PTLVVNQVSA-N 0 0 406.547 6.482 50 0 HKAARN CCCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl ZINC000004784789 559063489 /nfs/dbraw/zinc/06/34/89/559063489.db2.gz QAXMNBBLHDNFBB-UHFFFAOYSA-N 0 0 423.047 6.129 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000004784824 559063602 /nfs/dbraw/zinc/06/36/02/559063602.db2.gz FBMHARCHXIRPBT-JOCHJYFZSA-N 0 0 414.596 5.248 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000004784827 559063609 /nfs/dbraw/zinc/06/36/09/559063609.db2.gz FBMHARCHXIRPBT-QFIPXVFZSA-N 0 0 414.596 5.248 50 0 HKAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 ZINC000004784879 559063619 /nfs/dbraw/zinc/06/36/19/559063619.db2.gz NPABUYRPNFNPFI-UHFFFAOYSA-N 0 0 413.523 6.735 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC(=O)c2cc3ccccc3cc21 ZINC000004785148 132288411 /nfs/dbraw/zinc/28/84/11/132288411.db2.gz VIQUMUOJMWFPRX-UHFFFAOYSA-N 0 0 400.261 5.145 50 0 HKAARN CC1(C)C[C@@](CCN(Cc2ccccc2)C(=O)c2ccco2)(c2ccccc2)CCO1 ZINC000004785178 557597935 /nfs/dbraw/zinc/59/79/35/557597935.db2.gz MVQYAJKJFLZDIV-MHZLTWQESA-N 0 0 417.549 5.839 50 0 HKAARN CC1(C)C[C@](CCN(Cc2ccccc2)C(=O)c2ccco2)(c2ccccc2)CCO1 ZINC000004785180 557597944 /nfs/dbraw/zinc/59/79/44/557597944.db2.gz MVQYAJKJFLZDIV-HHHXNRCGSA-N 0 0 417.549 5.839 50 0 HKAARN COc1ccccc1-n1c(/C=C/c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O ZINC000004785183 557597954 /nfs/dbraw/zinc/59/79/54/557597954.db2.gz NCTOKBKKTAGIFM-WUKNDPDISA-N 0 0 421.500 5.365 50 0 aggregator HKAARN COc1ccc(OC)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1 ZINC000004785264 559063407 /nfs/dbraw/zinc/06/34/07/559063407.db2.gz LZDLFTBUTODGAA-BLVKFPJESA-N 0 0 400.544 5.345 50 0 HKAARN COc1ccc(OC)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1 ZINC000004785266 559063414 /nfs/dbraw/zinc/06/34/14/559063414.db2.gz LZDLFTBUTODGAA-BUXKBTBVSA-N 0 0 400.544 5.345 50 0 HKAARN COc1ccc(OC)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1 ZINC000004785267 559063402 /nfs/dbraw/zinc/06/34/02/559063402.db2.gz LZDLFTBUTODGAA-CWTRNNRKSA-N 0 0 400.544 5.345 50 0 HKAARN COc1ccc(OC)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1 ZINC000004785268 559063396 /nfs/dbraw/zinc/06/33/96/559063396.db2.gz LZDLFTBUTODGAA-HXPMCKFVSA-N 0 0 400.544 5.345 50 0 HKAARN COc1cccc(-n2c(/C=C/c3cn(C)c4ccccc34)nc3ccccc3c2=O)c1 ZINC000004785270 557598013 /nfs/dbraw/zinc/59/80/13/557598013.db2.gz IPDFZYZZKKWJCT-CCEZHUSRSA-N 0 0 407.473 5.056 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCCCC1 ZINC000004785455 132288430 /nfs/dbraw/zinc/28/84/30/132288430.db2.gz XOSZHUXUZBXQIY-UHFFFAOYSA-N 0 0 404.626 5.582 50 0 HKAARN Cc1c(Cl)cccc1NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000004785678 559063742 /nfs/dbraw/zinc/06/37/42/559063742.db2.gz BROZPYQYQJSWRJ-UHFFFAOYSA-N 0 0 410.745 5.311 50 0 HKAARN CCCc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000004785739 559063741 /nfs/dbraw/zinc/06/37/41/559063741.db2.gz KSPVZUUTGOJIDS-UHFFFAOYSA-N 0 0 418.566 5.655 50 0 HKAARN CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000004785804 559063856 /nfs/dbraw/zinc/06/38/56/559063856.db2.gz YECNOOHVUUHVQP-UHFFFAOYSA-N 0 0 418.566 5.604 50 0 HKAARN Cc1ccc(C(=O)NC(Nc2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000004785908 559063858 /nfs/dbraw/zinc/06/38/58/559063858.db2.gz NPOHNBXDCGVCGB-UHFFFAOYSA-N 0 0 404.354 5.275 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccs2)c(C)c1 ZINC000004786427 559063892 /nfs/dbraw/zinc/06/38/92/559063892.db2.gz LWYJBFCXTDPVGS-QFIPXVFZSA-N 0 0 414.534 5.642 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1 ZINC000004786545 559064183 /nfs/dbraw/zinc/06/41/83/559064183.db2.gz LZVRPOCSBGOHFA-NRFANRHFSA-N 0 0 416.506 5.034 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000004786550 559064206 /nfs/dbraw/zinc/06/42/06/559064206.db2.gz LZVRPOCSBGOHFA-OAQYLSRUSA-N 0 0 416.506 5.034 50 0 HKAARN O=C(NC1=NN(C(=O)Nc2ccccc2)C2(CCCCC2)S1)Nc1ccccc1 ZINC000004786573 559064197 /nfs/dbraw/zinc/06/41/97/559064197.db2.gz MTYFYYUWCBOLJM-UHFFFAOYSA-N 0 0 409.515 5.020 50 0 HKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)n2c3ccccc3nc2N1 ZINC000004786637 559064160 /nfs/dbraw/zinc/06/41/60/559064160.db2.gz SFWINRJKZOLKOD-NRFANRHFSA-N 0 0 415.884 5.012 50 0 HKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)n2c3ccccc3nc2N1 ZINC000004786641 559064150 /nfs/dbraw/zinc/06/41/50/559064150.db2.gz SFWINRJKZOLKOD-OAQYLSRUSA-N 0 0 415.884 5.012 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000004786783 557597991 /nfs/dbraw/zinc/59/79/91/557597991.db2.gz ZPQXLAJIYAOLKV-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000004786788 557598223 /nfs/dbraw/zinc/59/82/23/557598223.db2.gz ZPQXLAJIYAOLKV-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000004786849 559063949 /nfs/dbraw/zinc/06/39/49/559063949.db2.gz VAMXSFCAQWBUQL-JOCHJYFZSA-N 0 0 405.498 5.067 50 0 HKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000004786856 559063992 /nfs/dbraw/zinc/06/39/92/559063992.db2.gz VAMXSFCAQWBUQL-QFIPXVFZSA-N 0 0 405.498 5.067 50 0 HKAARN Cc1cccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000004787253 559064105 /nfs/dbraw/zinc/06/41/05/559064105.db2.gz DQOXWKJIVPUEQV-HSZRJFAPSA-N 0 0 401.510 5.510 50 0 HKAARN Cc1cccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000004787258 559064095 /nfs/dbraw/zinc/06/40/95/559064095.db2.gz DQOXWKJIVPUEQV-QHCPKHFHSA-N 0 0 401.510 5.510 50 0 HKAARN COC(=O)CCCCCc1ccc(Cc2ccc(CCCCC(=O)OC)cc2)cc1 ZINC000004788022 557598161 /nfs/dbraw/zinc/59/81/61/557598161.db2.gz LTHGLGSCWJTJTF-UHFFFAOYSA-N 0 0 410.554 5.439 50 0 HKAARN CCOC(=O)CCc1ccc(CCCCc2ccc(CCC(=O)OCC)cc2)cc1 ZINC000004788029 557598249 /nfs/dbraw/zinc/59/82/49/557598249.db2.gz LPIFPTSPIGKWJQ-UHFFFAOYSA-N 0 0 410.554 5.243 50 0 HKAARN CC(C)Cn1cc(C(=O)Nc2ccc(C(C)C)cc2)c2c3ccccc3n(C)c2c1=O ZINC000004788449 559064147 /nfs/dbraw/zinc/06/41/47/559064147.db2.gz DGNKTESAACNUAG-UHFFFAOYSA-N 0 0 415.537 5.525 50 0 HKAARN COc1ccc2c(c1)sc1nc(-c3ccc(C)o3)c(Nc3c(C)cccc3C)n21 ZINC000004789101 559064276 /nfs/dbraw/zinc/06/42/76/559064276.db2.gz ATCHAKKXBPVPQL-UHFFFAOYSA-N 0 0 403.507 6.486 50 0 HKAARN Cl/C(=C\c1ccccc1)c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2 ZINC000004789133 559064288 /nfs/dbraw/zinc/06/42/88/559064288.db2.gz PXUOBDUVSSRHCF-JXAWBTAJSA-N 0 0 403.869 5.586 50 0 HKAARN Cc1cccc(C)c1Nc1c(/C(Cl)=C/c2ccccc2)nc2ccc(Cl)cn21 ZINC000004789136 559064388 /nfs/dbraw/zinc/06/43/88/559064388.db2.gz UZLSOPAGOCRMGH-UYRXBGFRSA-N 0 0 408.332 7.085 50 0 HKAARN COc1ccc(-c2nc3sc4cc(OC)ccc4n3c2Nc2ccccc2C)cc1 ZINC000004789217 559064381 /nfs/dbraw/zinc/06/43/81/559064381.db2.gz HCVGABBVAJNZMQ-UHFFFAOYSA-N 0 0 415.518 6.285 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(Cl)cc1Cl ZINC000004790765 559065543 /nfs/dbraw/zinc/06/55/43/559065543.db2.gz TZRWGJNGWBKSKV-UHFFFAOYSA-N 0 0 400.240 5.700 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(Br)cc1 ZINC000004790773 559065570 /nfs/dbraw/zinc/06/55/70/559065570.db2.gz NSCFEVGALQFWOA-UHFFFAOYSA-N 0 0 410.246 5.155 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000004790811 559065567 /nfs/dbraw/zinc/06/55/67/559065567.db2.gz JMEROYIEVHWRAR-UHFFFAOYSA-N 0 0 423.875 5.590 50 0 HKAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)C(c1ccccc1)c1ccccc1 ZINC000004790824 559065584 /nfs/dbraw/zinc/06/55/84/559065584.db2.gz ASVHRKKLPWOQGT-UHFFFAOYSA-N 0 0 409.514 5.833 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c(-c2cccs2)nc2ccccn21 ZINC000004790854 559065521 /nfs/dbraw/zinc/06/55/21/559065521.db2.gz MIBRQHGSJJTILR-UHFFFAOYSA-N 0 0 418.305 5.387 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000004790891 559065577 /nfs/dbraw/zinc/06/55/77/559065577.db2.gz GUWSCBIWKBUAOT-UHFFFAOYSA-N 0 0 412.276 5.326 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000004790898 559065592 /nfs/dbraw/zinc/06/55/92/559065592.db2.gz LEJHYUGNZUCHDP-UHFFFAOYSA-N 0 0 405.885 5.451 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)COc1ccc(Cl)cc1 ZINC000004790911 559065590 /nfs/dbraw/zinc/06/55/90/559065590.db2.gz MLWDUXRXGJXIFX-UHFFFAOYSA-N 0 0 409.848 5.120 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004790925 559065573 /nfs/dbraw/zinc/06/55/73/559065573.db2.gz GNEIOQGKPXPUDK-UHFFFAOYSA-N 0 0 413.374 5.720 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2c(F)cccc2Cl)cc1 ZINC000004791016 559065645 /nfs/dbraw/zinc/06/56/45/559065645.db2.gz GZBNVYMWBYWLOM-UHFFFAOYSA-N 0 0 409.848 5.363 50 0 HKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)cc1 ZINC000004791048 559065602 /nfs/dbraw/zinc/06/56/02/559065602.db2.gz PVPGJSBDRSIPMT-ZDUSSCGKSA-N 0 0 403.910 5.838 50 0 HKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)cc1 ZINC000004791053 560608866 /nfs/dbraw/zinc/60/88/66/560608866.db2.gz PVPGJSBDRSIPMT-CYBMUJFWSA-N 0 0 403.910 5.838 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)Cc2cccc3ccccc32)cc1 ZINC000004791065 559065647 /nfs/dbraw/zinc/06/56/47/559065647.db2.gz MEUZMBCRBHVYEV-UHFFFAOYSA-N 0 0 421.500 5.653 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc3ccccc3c2)cc1 ZINC000004791078 559065662 /nfs/dbraw/zinc/06/56/62/559065662.db2.gz ITBYBZBYPKUOEB-UHFFFAOYSA-N 0 0 407.473 5.724 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004791135 559065629 /nfs/dbraw/zinc/06/56/29/559065629.db2.gz TYNLHMWLCNXJPX-UHFFFAOYSA-N 0 0 401.413 5.642 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004791186 559065618 /nfs/dbraw/zinc/06/56/18/559065618.db2.gz YAUZFMPDIVCERN-UHFFFAOYSA-N 0 0 419.912 5.759 50 0 HKAARN CCCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)/C=C/c1ccccc1 ZINC000004793826 559065995 /nfs/dbraw/zinc/06/59/95/559065995.db2.gz QQLBSDLMAXRRHN-FOCLMDBBSA-N 0 0 420.984 6.422 50 0 HKAARN Cc1ccn2c(c1)nc(/C(Cl)=C/c1ccccc1)c2Nc1ccc(C(C)C)cc1 ZINC000004793925 559066108 /nfs/dbraw/zinc/06/61/08/559066108.db2.gz KXGMWIFZFYIXIG-JWGURIENSA-N 0 0 401.941 7.247 50 0 HKAARN Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ccc(Br)cn21 ZINC000004793927 559066094 /nfs/dbraw/zinc/06/60/94/559066094.db2.gz OPMXWAQUHQWTOW-UHFFFAOYSA-N 0 0 417.310 6.297 50 0 HKAARN COc1cc(O)ccc1-c1nc2ccc(Br)cn2c1Nc1ccccc1C ZINC000004793928 559066071 /nfs/dbraw/zinc/06/60/71/559066071.db2.gz SSJJQZJGZDYINO-UHFFFAOYSA-N 0 0 424.298 5.530 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2ccc(Br)cn21 ZINC000004793931 559066064 /nfs/dbraw/zinc/06/60/64/559066064.db2.gz LPTBEHIQPUCMRK-UHFFFAOYSA-N 0 0 418.747 6.531 50 0 HKAARN Cc1ccccc1Nc1c(-c2cccc(N(C)C)c2)nc2ccc(Br)cn21 ZINC000004793940 559066081 /nfs/dbraw/zinc/06/60/81/559066081.db2.gz 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CC(C)c1ccc(C(c2c(O)ccc3ccccc32)c2c(O)ccc3ccccc32)cc1 ZINC000004794412 571045258 /nfs/dbraw/zinc/04/52/58/571045258.db2.gz WHEXVGQIHXDZJU-UHFFFAOYSA-N 0 0 418.536 7.708 50 0 HKAARN CCN(CC)c1ccc2c(c1)Oc1ccc3ccccc3c1[C@]21OC(=O)c2ccccc21 ZINC000004794580 557598415 /nfs/dbraw/zinc/59/84/15/557598415.db2.gz HMNGPLGXLQFPFN-MUUNZHRXSA-N 0 0 421.496 6.254 50 0 HKAARN CCN(CC)c1ccc2c(c1)Oc1ccc3ccccc3c1[C@@]21OC(=O)c2ccccc21 ZINC000004794582 557598361 /nfs/dbraw/zinc/59/83/61/557598361.db2.gz HMNGPLGXLQFPFN-NDEPHWFRSA-N 0 0 421.496 6.254 50 0 HKAARN Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004794583 557598389 /nfs/dbraw/zinc/59/83/89/557598389.db2.gz JELCWSQFWFNQGP-VDUSKEEQSA-N 0 0 408.542 5.037 50 0 HKAARN Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000004794584 557598410 /nfs/dbraw/zinc/59/84/10/557598410.db2.gz JELCWSQFWFNQGP-RVSXGSNBSA-N 0 0 408.542 5.037 50 0 HKAARN Cc1c(C(=O)OC2CCCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 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CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1cccc2ccccc21 ZINC000004795223 559066316 /nfs/dbraw/zinc/06/63/16/559066316.db2.gz LTXLRSHZUZMEJV-KRWDZBQOSA-N 0 0 403.573 5.157 50 0 HKAARN CCCCN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1cccc2ccccc21 ZINC000004795227 559066325 /nfs/dbraw/zinc/06/63/25/559066325.db2.gz TUFSRHQSEXGCFO-QGZVFWFLSA-N 0 0 403.573 5.301 50 0 HKAARN CCCCN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1cccc2ccccc21 ZINC000004795229 560875449 /nfs/dbraw/zinc/87/54/49/560875449.db2.gz TUFSRHQSEXGCFO-KRWDZBQOSA-N 0 0 403.573 5.301 50 0 HKAARN CCCCOc1ccc(CNC(=S)NCc2ccc(OCCCC)cc2)cc1 ZINC000004795277 559066318 /nfs/dbraw/zinc/06/63/18/559066318.db2.gz VJRJIFNIFBAUIC-UHFFFAOYSA-N 0 0 400.588 5.209 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000004795975 559066391 /nfs/dbraw/zinc/06/63/91/559066391.db2.gz PFPLOSYUYRDRJQ-UHFFFAOYSA-N 0 0 416.403 5.167 50 0 HKAARN CCCCCNC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000004796237 559066405 /nfs/dbraw/zinc/06/64/05/559066405.db2.gz 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5.664 50 0 HKAARN COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1OC ZINC000004808899 557599538 /nfs/dbraw/zinc/59/95/38/557599538.db2.gz WUEPKCNDXORYEV-UHFFFAOYSA-N 0 0 402.450 5.002 50 0 HKAARN COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(CSc2ccccc2)o1 ZINC000004808931 569071525 /nfs/dbraw/zinc/07/15/25/569071525.db2.gz VRMUVJGSESXMBB-UHFFFAOYSA-N 0 0 401.871 5.264 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)o1 ZINC000004808947 559068634 /nfs/dbraw/zinc/06/86/34/559068634.db2.gz SIRMIMUOBOIFAJ-RUZDIDTESA-N 0 0 417.530 5.877 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)o1 ZINC000004808948 559068690 /nfs/dbraw/zinc/06/86/90/559068690.db2.gz SIRMIMUOBOIFAJ-VWLOTQADSA-N 0 0 417.530 5.877 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000004809120 557599738 /nfs/dbraw/zinc/59/97/38/557599738.db2.gz AQRIILCIMJQAPH-UHFFFAOYSA-N 0 0 408.523 5.172 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000004809203 557599765 /nfs/dbraw/zinc/59/97/65/557599765.db2.gz HWODDONIGXCUJF-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000004809665 557600022 /nfs/dbraw/zinc/60/00/22/557600022.db2.gz QATABQXERSHRAE-UHFFFAOYSA-N 0 0 407.926 5.923 50 0 HKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2ccccc2)C3=O)cc1C ZINC000004809769 557599980 /nfs/dbraw/zinc/59/99/80/557599980.db2.gz GYQJUVXYXMXZKU-RUZDIDTESA-N 0 0 409.489 5.145 50 0 HKAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2)N(Cc2ccccc2)C3=O)cc1C ZINC000004809770 557599991 /nfs/dbraw/zinc/59/99/91/557599991.db2.gz GYQJUVXYXMXZKU-VWLOTQADSA-N 0 0 409.489 5.145 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl ZINC000004809903 557600014 /nfs/dbraw/zinc/60/00/14/557600014.db2.gz XIXZSHJWHDRSHZ-UHFFFAOYSA-N 0 0 408.885 5.172 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccco4)cc3)nc2c1 ZINC000004809955 557600025 /nfs/dbraw/zinc/60/00/25/557600025.db2.gz XQPPJDBENLTCJQ-UHFFFAOYSA-N 0 0 419.506 5.016 50 0 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/nfs/dbraw/zinc/60/03/42/557600342.db2.gz FCIMXBWAUTWUSU-UHFFFAOYSA-N 0 0 413.587 5.003 50 0 HKAARN CC1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1 ZINC000004810895 132289150 /nfs/dbraw/zinc/28/91/50/132289150.db2.gz FAFZCMXALGQJSI-UHFFFAOYSA-N 0 0 407.739 5.591 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1OC ZINC000004810943 557600597 /nfs/dbraw/zinc/60/05/97/557600597.db2.gz HZSBIIGNKOMKMF-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000004810990 557600608 /nfs/dbraw/zinc/60/06/08/557600608.db2.gz LJEBMKZQALSRPT-KRWDZBQOSA-N 0 0 400.503 5.883 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000004810991 557600602 /nfs/dbraw/zinc/60/06/02/557600602.db2.gz LJEBMKZQALSRPT-QGZVFWFLSA-N 0 0 400.503 5.883 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000004811071 557600594 /nfs/dbraw/zinc/60/05/94/557600594.db2.gz FEZIVGCOGFQGDW-KRWDZBQOSA-N 0 0 400.503 5.883 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000004811072 557600611 /nfs/dbraw/zinc/60/06/11/557600611.db2.gz FEZIVGCOGFQGDW-QGZVFWFLSA-N 0 0 400.503 5.883 50 0 HKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004811173 557600588 /nfs/dbraw/zinc/60/05/88/557600588.db2.gz ULYZEZIKOBABDS-UHFFFAOYSA-N 0 0 407.253 6.255 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)ccc21 ZINC000004811202 557600610 /nfs/dbraw/zinc/60/06/10/557600610.db2.gz HFCNILIONXTTRA-UHFFFAOYSA-N 0 0 414.505 6.123 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004811204 557600603 /nfs/dbraw/zinc/60/06/03/557600603.db2.gz UOGHDVPBOGEYPG-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)c1 ZINC000004811249 557600583 /nfs/dbraw/zinc/60/05/83/557600583.db2.gz MICFSRIWUNERBU-UHFFFAOYSA-N 0 0 414.892 6.306 50 0 HKAARN COc1ccc(/C=C/C(=O)n2c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000004811345 559069184 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0 HKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004811468 559069201 /nfs/dbraw/zinc/06/92/01/559069201.db2.gz RFFLSYKZNDQANK-AHKZPQOWSA-N 0 0 412.533 6.498 50 0 HKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004811469 559069199 /nfs/dbraw/zinc/06/91/99/559069199.db2.gz RFFLSYKZNDQANK-BDYUSTAISA-N 0 0 412.533 6.498 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1c(Cl)cccc1Cl ZINC000004811552 559069213 /nfs/dbraw/zinc/06/92/13/559069213.db2.gz FYTHXKZVWDSPDO-JLHYYAGUSA-N 0 0 409.272 5.569 50 0 HKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004811623 559069353 /nfs/dbraw/zinc/06/93/53/559069353.db2.gz SPPJASBVBZPPEC-AHKZPQOWSA-N 0 0 412.533 6.416 50 0 HKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004811624 559069341 /nfs/dbraw/zinc/06/93/41/559069341.db2.gz SPPJASBVBZPPEC-BDYUSTAISA-N 0 0 412.533 6.416 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000004811756 557600772 /nfs/dbraw/zinc/60/07/72/557600772.db2.gz XSIRDCWQETUNSP-DEOSSOPVSA-N 0 0 404.535 5.152 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000004811758 557600804 /nfs/dbraw/zinc/60/08/04/557600804.db2.gz XSIRDCWQETUNSP-XMMPIXPASA-N 0 0 404.535 5.152 50 0 HKAARN CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 ZINC000004811766 559069330 /nfs/dbraw/zinc/06/93/30/559069330.db2.gz RJQTZNMBGHTHFE-UHFFFAOYSA-N 0 0 424.635 6.621 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000004812111 559069335 /nfs/dbraw/zinc/06/93/35/559069335.db2.gz SDYOYTXCRLXSQR-AZGAKELHSA-N 0 0 412.533 6.235 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000004812112 559069396 /nfs/dbraw/zinc/06/93/96/559069396.db2.gz SDYOYTXCRLXSQR-AHWVRZQESA-N 0 0 412.533 6.235 50 0 HKAARN CCCCOP(=O)(COC(=O)Nc1ccc(Cl)c(Cl)c1)OCCCC ZINC000004812132 559069391 /nfs/dbraw/zinc/06/93/91/559069391.db2.gz BTLDZINKGPCZAY-UHFFFAOYSA-N 0 0 412.250 6.326 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000004812149 559069411 /nfs/dbraw/zinc/06/94/11/559069411.db2.gz BAFMBVRZTQQXIG-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004812152 559069433 /nfs/dbraw/zinc/06/94/33/559069433.db2.gz BAFMBVRZTQQXIG-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@](C)(CC)C1)Cc1ccccc1 ZINC000004812243 557600729 /nfs/dbraw/zinc/60/07/29/557600729.db2.gz HSLBYBOWNAXFGN-SVBPBHIXSA-N 0 0 423.597 5.741 50 0 HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@](C)(CC)C1)Cc1ccccc1 ZINC000004812244 557600817 /nfs/dbraw/zinc/60/08/17/557600817.db2.gz HSLBYBOWNAXFGN-RRPNLBNLSA-N 0 0 423.597 5.741 50 0 HKAARN CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@](C)(CC)C1)Cc1ccccc1 ZINC000004812245 557600820 /nfs/dbraw/zinc/60/08/20/557600820.db2.gz HSLBYBOWNAXFGN-SXOMAYOGSA-N 0 0 423.597 5.741 50 0 HKAARN CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@](C)(CC)C1)Cc1ccccc1 ZINC000004812247 557600802 /nfs/dbraw/zinc/60/08/02/557600802.db2.gz HSLBYBOWNAXFGN-KAYWLYCHSA-N 0 0 423.597 5.741 50 0 HKAARN CCCCOc1ccc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000004812259 559069412 /nfs/dbraw/zinc/06/94/12/559069412.db2.gz WMQIKFUSFGMVGI-UHFFFAOYSA-N 0 0 411.542 5.125 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000004812309 559069419 /nfs/dbraw/zinc/06/94/19/559069419.db2.gz RNFZNORCPIBXNF-LMSSTIIKSA-N 0 0 418.540 7.206 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000004812312 559069409 /nfs/dbraw/zinc/06/94/09/559069409.db2.gz RNFZNORCPIBXNF-YTMVLYRLSA-N 0 0 418.540 7.206 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000004812355 557600825 /nfs/dbraw/zinc/60/08/25/557600825.db2.gz JQZQIJFMKOOPFP-DHIUTWEWSA-N 0 0 412.880 5.144 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000004812356 557600725 /nfs/dbraw/zinc/60/07/25/557600725.db2.gz JQZQIJFMKOOPFP-XZOQPEGZSA-N 0 0 412.880 5.144 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000004812358 557600717 /nfs/dbraw/zinc/60/07/17/557600717.db2.gz JQZQIJFMKOOPFP-PKTZIBPZSA-N 0 0 412.880 5.144 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000004812359 557600734 /nfs/dbraw/zinc/60/07/34/557600734.db2.gz JQZQIJFMKOOPFP-GOTSBHOMSA-N 0 0 412.880 5.144 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000004812443 559069401 /nfs/dbraw/zinc/06/94/01/559069401.db2.gz YYEWOFWMPKYEEY-AZGAKELHSA-N 0 0 414.505 5.725 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000004812444 559069397 /nfs/dbraw/zinc/06/93/97/559069397.db2.gz YYEWOFWMPKYEEY-AHWVRZQESA-N 0 0 414.505 5.725 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004812474 559069414 /nfs/dbraw/zinc/06/94/14/559069414.db2.gz OZCOSAXNFYJDAO-JTHBVZDNSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000004812476 559069416 /nfs/dbraw/zinc/06/94/16/559069416.db2.gz OZCOSAXNFYJDAO-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN C[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000004812608 557600767 /nfs/dbraw/zinc/60/07/67/557600767.db2.gz BVWWUJHOFCBHGD-POZUXBRTSA-N 0 0 414.431 5.034 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc2ccccc21 ZINC000004812711 559069507 /nfs/dbraw/zinc/06/95/07/559069507.db2.gz GQSGDEYVFYDTMG-SAPNQHFASA-N 0 0 408.888 6.363 50 0 HKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000004812913 559069534 /nfs/dbraw/zinc/06/95/34/559069534.db2.gz VEVHPCOICZMJIF-NTCAYCPXSA-N 0 0 418.949 6.644 50 0 HKAARN COc1ccc(OCC(=O)n2c3ccccc3nc2SCc2ccc(C)cc2)cc1 ZINC000004812978 559069566 /nfs/dbraw/zinc/06/95/66/559069566.db2.gz SSEGAAVLDIZCHJ-UHFFFAOYSA-N 0 0 418.518 5.365 50 0 HKAARN Cc1ccc(Cn2c(/C=C/c3cccc(Br)c3)nc3ccccc32)cc1 ZINC000004813130 559069599 /nfs/dbraw/zinc/06/95/99/559069599.db2.gz GPCAGJLUYOOTSI-BUHFOSPRSA-N 0 0 403.323 6.326 50 0 HKAARN COc1ccc(/C=C/C(=O)n2c3ccccc3nc2SCc2ccc(C)cc2)cc1 ZINC000004813290 559069603 /nfs/dbraw/zinc/06/96/03/559069603.db2.gz HTMIKOVXGKHVCT-DTQAZKPQSA-N 0 0 414.530 5.999 50 0 HKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813292 559069646 /nfs/dbraw/zinc/06/96/46/559069646.db2.gz SNGQMLJBBKWJID-JOCHJYFZSA-N 0 0 403.844 5.619 50 0 HKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813293 559069632 /nfs/dbraw/zinc/06/96/32/559069632.db2.gz SNGQMLJBBKWJID-QFIPXVFZSA-N 0 0 403.844 5.619 50 0 HKAARN CCCn1c2ccccc2nc1C(O)(c1nc2ccccc2n1CCC)c1ccccc1 ZINC000004813297 559069631 /nfs/dbraw/zinc/06/96/31/559069631.db2.gz VSQXJUGUHMQRNK-UHFFFAOYSA-N 0 0 424.548 5.490 50 0 HKAARN O=C1c2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813454 559069639 /nfs/dbraw/zinc/06/96/39/559069639.db2.gz ZEQIOYXUTSVFSF-JOCHJYFZSA-N 0 0 403.844 5.619 50 0 HKAARN O=C1c2n[nH]c(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813455 559069620 /nfs/dbraw/zinc/06/96/20/559069620.db2.gz ZEQIOYXUTSVFSF-QFIPXVFZSA-N 0 0 403.844 5.619 50 0 HKAARN CC(=O)Oc1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1 ZINC000004813744 557601069 /nfs/dbraw/zinc/60/10/69/557601069.db2.gz QQHSOSBKVJRCTG-UHFFFAOYSA-N 0 0 402.500 6.165 50 0 HKAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000004814265 557601285 /nfs/dbraw/zinc/60/12/85/557601285.db2.gz ZJRBKDBZBZIZLT-UHFFFAOYSA-N 0 0 400.548 5.213 50 0 HKAARN CCc1sc(NC(=O)c2cccc(NC(=O)C(CC)CC)c2)nc1-c1ccccc1 ZINC000004814266 557601241 /nfs/dbraw/zinc/60/12/41/557601241.db2.gz QYIFFRAHPJGQLX-UHFFFAOYSA-N 0 0 421.566 6.000 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000004814959 557601228 /nfs/dbraw/zinc/60/12/28/557601228.db2.gz WSSTUQXTCYDMED-QFIPXVFZSA-N 0 0 405.475 6.632 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000004814961 557601288 /nfs/dbraw/zinc/60/12/88/557601288.db2.gz WSSTUQXTCYDMED-JOCHJYFZSA-N 0 0 405.475 6.632 50 0 HKAARN CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004815119 559077920 /nfs/dbraw/zinc/07/79/20/559077920.db2.gz UNZDZFFKLDZPGY-MSOLQXFVSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004815120 559077893 /nfs/dbraw/zinc/07/78/93/559077893.db2.gz UNZDZFFKLDZPGY-QZTJIDSGSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004815121 559077899 /nfs/dbraw/zinc/07/78/99/559077899.db2.gz UNZDZFFKLDZPGY-ROUUACIJSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004815122 559078052 /nfs/dbraw/zinc/07/80/52/559078052.db2.gz UNZDZFFKLDZPGY-ZWKOTPCHSA-N 0 0 401.297 5.062 50 0 HKAARN Fc1ccc(NC(=S)Nc2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 ZINC000004815296 559078180 /nfs/dbraw/zinc/07/81/80/559078180.db2.gz CYRUPEWRQANIHY-UHFFFAOYSA-N 0 0 414.506 5.583 50 0 HKAARN CCc1cc2c(cc1OC/C=C/c1ccccc1)occ(-c1nc(C)cs1)c2=O ZINC000004815323 559078230 /nfs/dbraw/zinc/07/82/30/559078230.db2.gz YYFYXSQGFNCMRZ-JXMROGBWSA-N 0 0 403.503 5.880 50 0 HKAARN CCCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 ZINC000004815374 559078169 /nfs/dbraw/zinc/07/81/69/559078169.db2.gz LCCUCNKYOSSTJV-UHFFFAOYSA-N 0 0 406.555 6.371 50 0 HKAARN CCCCc1nc2sc3c(ncnc3SCc3ccccc3)c2c2c1CCCC2 ZINC000004815404 559078322 /nfs/dbraw/zinc/07/83/22/559078322.db2.gz LWGYGIARSKZVGG-UHFFFAOYSA-N 0 0 419.619 6.753 50 0 HKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccccc1F ZINC000004815421 559078227 /nfs/dbraw/zinc/07/82/27/559078227.db2.gz VQGVKNXPGYLWNZ-UHFFFAOYSA-N 0 0 409.486 5.495 50 0 HKAARN CCCN1C(=O)C(C)=C(C)[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000004815604 559087807 /nfs/dbraw/zinc/08/78/07/559087807.db2.gz WOFYBBAZPVARPB-QFIPXVFZSA-N 0 0 413.348 6.771 50 0 HKAARN CCCN1C(=O)C(C)=C(C)[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000004815605 559087761 /nfs/dbraw/zinc/08/77/61/559087761.db2.gz WOFYBBAZPVARPB-JOCHJYFZSA-N 0 0 413.348 6.771 50 0 HKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(F)cc1 ZINC000004815648 559087587 /nfs/dbraw/zinc/08/75/87/559087587.db2.gz MVMDZFCZJKHZFG-UHFFFAOYSA-N 0 0 409.486 5.495 50 0 HKAARN O=c1/c(=C\c2cccc(Cl)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000004815663 557601272 /nfs/dbraw/zinc/60/12/72/557601272.db2.gz RZIHJMPESXMKQY-HMMYKYKNSA-N 0 0 414.917 5.291 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C(C)C ZINC000004816388 559088783 /nfs/dbraw/zinc/08/87/83/559088783.db2.gz BGNZAFQFOUSNAR-UHFFFAOYSA-N 0 0 424.570 5.094 50 0 HKAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816685 559114263 /nfs/dbraw/zinc/11/42/63/559114263.db2.gz PZZZVMJBBJHILK-MSOLQXFVSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816686 559114278 /nfs/dbraw/zinc/11/42/78/559114278.db2.gz PZZZVMJBBJHILK-QZTJIDSGSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816687 559114293 /nfs/dbraw/zinc/11/42/93/559114293.db2.gz PZZZVMJBBJHILK-ROUUACIJSA-N 0 0 401.297 5.062 50 0 HKAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816688 559114253 /nfs/dbraw/zinc/11/42/53/559114253.db2.gz PZZZVMJBBJHILK-ZWKOTPCHSA-N 0 0 401.297 5.062 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004816709 559114368 /nfs/dbraw/zinc/11/43/68/559114368.db2.gz JLDSHIOXNNOEAI-RTWAWAEBSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004816710 559114336 /nfs/dbraw/zinc/11/43/36/559114336.db2.gz JLDSHIOXNNOEAI-NHCUHLMSSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004816711 559114319 /nfs/dbraw/zinc/11/43/19/559114319.db2.gz JLDSHIOXNNOEAI-SFTDATJTSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004816712 559114374 /nfs/dbraw/zinc/11/43/74/559114374.db2.gz JLDSHIOXNNOEAI-LEWJYISDSA-N 0 0 424.932 5.198 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816713 559114347 /nfs/dbraw/zinc/11/43/47/559114347.db2.gz YATZGNAQYOJECJ-RTWAWAEBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816714 559114363 /nfs/dbraw/zinc/11/43/63/559114363.db2.gz YATZGNAQYOJECJ-NHCUHLMSSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816715 568940567 /nfs/dbraw/zinc/94/05/67/568940567.db2.gz YATZGNAQYOJECJ-SFTDATJTSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816716 559114365 /nfs/dbraw/zinc/11/43/65/559114365.db2.gz YATZGNAQYOJECJ-LEWJYISDSA-N 0 0 424.932 5.054 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816793 559113557 /nfs/dbraw/zinc/11/35/57/559113557.db2.gz HWUYGBPNMSIGKG-RTWAWAEBSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816794 559113530 /nfs/dbraw/zinc/11/35/30/559113530.db2.gz HWUYGBPNMSIGKG-NHCUHLMSSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816795 559113566 /nfs/dbraw/zinc/11/35/66/559113566.db2.gz HWUYGBPNMSIGKG-SFTDATJTSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816796 559113539 /nfs/dbraw/zinc/11/35/39/559113539.db2.gz HWUYGBPNMSIGKG-LEWJYISDSA-N 0 0 424.932 5.198 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816797 559113538 /nfs/dbraw/zinc/11/35/38/559113538.db2.gz KKBZBDMBSLFTBU-RTWAWAEBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816798 559113564 /nfs/dbraw/zinc/11/35/64/559113564.db2.gz KKBZBDMBSLFTBU-NHCUHLMSSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816799 559113547 /nfs/dbraw/zinc/11/35/47/559113547.db2.gz KKBZBDMBSLFTBU-SFTDATJTSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816800 559113628 /nfs/dbraw/zinc/11/36/28/559113628.db2.gz KKBZBDMBSLFTBU-LEWJYISDSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004816801 559113686 /nfs/dbraw/zinc/11/36/86/559113686.db2.gz ZTFCACHHKVYBFZ-UXHICEINSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004816802 559113644 /nfs/dbraw/zinc/11/36/44/559113644.db2.gz ZTFCACHHKVYBFZ-WOJBJXKFSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004816803 559113625 /nfs/dbraw/zinc/11/36/25/559113625.db2.gz ZTFCACHHKVYBFZ-PMACEKPBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004816804 559113683 /nfs/dbraw/zinc/11/36/83/559113683.db2.gz ZTFCACHHKVYBFZ-VQTJNVASSA-N 0 0 424.932 5.054 50 0 HKAARN O=C(C1CC1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816853 559114810 /nfs/dbraw/zinc/11/48/10/559114810.db2.gz TWVWGGQUOKWNDB-MOPGFXCFSA-N 0 0 413.308 5.062 50 0 HKAARN O=C(C1CC1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816854 559114800 /nfs/dbraw/zinc/11/48/00/559114800.db2.gz TWVWGGQUOKWNDB-RTBURBONSA-N 0 0 413.308 5.062 50 0 HKAARN O=C(C1CC1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004816855 559114789 /nfs/dbraw/zinc/11/47/89/559114789.db2.gz TWVWGGQUOKWNDB-OALUTQOASA-N 0 0 413.308 5.062 50 0 HKAARN O=C(C1CC1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004816856 559114813 /nfs/dbraw/zinc/11/48/13/559114813.db2.gz TWVWGGQUOKWNDB-RBUKOAKNSA-N 0 0 413.308 5.062 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000004816873 568940479 /nfs/dbraw/zinc/94/04/79/568940479.db2.gz KIMPHEXPKUOECP-RTWAWAEBSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000004816874 559114955 /nfs/dbraw/zinc/11/49/55/559114955.db2.gz KIMPHEXPKUOECP-NHCUHLMSSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000004816875 559114952 /nfs/dbraw/zinc/11/49/52/559114952.db2.gz KIMPHEXPKUOECP-SFTDATJTSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000004816876 559114963 /nfs/dbraw/zinc/11/49/63/559114963.db2.gz KIMPHEXPKUOECP-LEWJYISDSA-N 0 0 424.932 5.198 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816877 559114946 /nfs/dbraw/zinc/11/49/46/559114946.db2.gz USYZZHXKEWYXNK-RTWAWAEBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816878 559114924 /nfs/dbraw/zinc/11/49/24/559114924.db2.gz USYZZHXKEWYXNK-NHCUHLMSSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816879 559114960 /nfs/dbraw/zinc/11/49/60/559114960.db2.gz USYZZHXKEWYXNK-SFTDATJTSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816880 559114944 /nfs/dbraw/zinc/11/49/44/559114944.db2.gz USYZZHXKEWYXNK-LEWJYISDSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 ZINC000004816881 559114968 /nfs/dbraw/zinc/11/49/68/559114968.db2.gz FMBDJPAHUUUOAB-UXHICEINSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 ZINC000004816882 559114941 /nfs/dbraw/zinc/11/49/41/559114941.db2.gz FMBDJPAHUUUOAB-WOJBJXKFSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 ZINC000004816883 559114911 /nfs/dbraw/zinc/11/49/11/559114911.db2.gz FMBDJPAHUUUOAB-PMACEKPBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 ZINC000004816884 559114896 /nfs/dbraw/zinc/11/48/96/559114896.db2.gz FMBDJPAHUUUOAB-VQTJNVASSA-N 0 0 424.932 5.054 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816969 559115007 /nfs/dbraw/zinc/11/50/07/559115007.db2.gz OWEKXOURCQVWPV-UXHICEINSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816970 559115022 /nfs/dbraw/zinc/11/50/22/559115022.db2.gz OWEKXOURCQVWPV-WOJBJXKFSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 ZINC000004816971 559115027 /nfs/dbraw/zinc/11/50/27/559115027.db2.gz OWEKXOURCQVWPV-PMACEKPBSA-N 0 0 424.932 5.198 50 0 HKAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 ZINC000004816972 559114995 /nfs/dbraw/zinc/11/49/95/559114995.db2.gz OWEKXOURCQVWPV-VQTJNVASSA-N 0 0 424.932 5.198 50 0 HKAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816973 559114991 /nfs/dbraw/zinc/11/49/91/559114991.db2.gz VHQQJXUEUPVNSW-UXHICEINSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816974 559115030 /nfs/dbraw/zinc/11/50/30/559115030.db2.gz VHQQJXUEUPVNSW-WOJBJXKFSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816975 559114992 /nfs/dbraw/zinc/11/49/92/559114992.db2.gz VHQQJXUEUPVNSW-PMACEKPBSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816976 559115015 /nfs/dbraw/zinc/11/50/15/559115015.db2.gz VHQQJXUEUPVNSW-VQTJNVASSA-N 0 0 424.932 5.054 50 0 HKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000004817129 559114522 /nfs/dbraw/zinc/11/45/22/559114522.db2.gz GXAFGGCVEWDOIJ-QFIPXVFZSA-N 0 0 405.475 6.344 50 0 HKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000004817130 559114494 /nfs/dbraw/zinc/11/44/94/559114494.db2.gz GXAFGGCVEWDOIJ-JOCHJYFZSA-N 0 0 405.475 6.344 50 0 HKAARN Brc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 ZINC000004818954 559117124 /nfs/dbraw/zinc/11/71/24/559117124.db2.gz PYRDQZSPENAPOL-UHFFFAOYSA-N 0 0 401.267 5.398 50 0 HKAARN Cc1cc(Br)c(NC(=O)CSc2cccc3cccnc32)cc1C ZINC000004818962 557601973 /nfs/dbraw/zinc/60/19/73/557601973.db2.gz UNOBNALVACXCEW-UHFFFAOYSA-N 0 0 401.329 5.345 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004819021 132289338 /nfs/dbraw/zinc/28/93/38/132289338.db2.gz ZRLVHBPEEYRQSV-UHFFFAOYSA-N 0 0 410.439 5.335 50 0 HKAARN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000004819039 132289321 /nfs/dbraw/zinc/28/93/21/132289321.db2.gz ZDCXZGNHBRHHAZ-DYTRJAOYSA-N 0 0 420.915 5.369 50 0 HKAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)c1 ZINC000004819438 557602271 /nfs/dbraw/zinc/60/22/71/557602271.db2.gz PTRFHQRFIZWGOQ-UHFFFAOYSA-N 0 0 405.454 5.069 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1O ZINC000004819704 557602302 /nfs/dbraw/zinc/60/23/02/557602302.db2.gz QEVAPBYMVUEHDQ-UHFFFAOYSA-N 0 0 401.249 5.204 50 0 HKAARN O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1C(F)(F)F ZINC000004820368 557602531 /nfs/dbraw/zinc/60/25/31/557602531.db2.gz GLJZALUOWONZKE-UHFFFAOYSA-N 0 0 409.795 5.370 50 0 HKAARN COc1cc2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc2cc1Cl ZINC000004820405 557602481 /nfs/dbraw/zinc/60/24/81/557602481.db2.gz IEPKYDXAGBUYCF-UHFFFAOYSA-N 0 0 411.310 5.408 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Br)cc3)oc2c1 ZINC000004820415 557602465 /nfs/dbraw/zinc/60/24/65/557602465.db2.gz KGJVLJKIBTZEBN-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004820427 557602457 /nfs/dbraw/zinc/60/24/57/557602457.db2.gz ISPRDTCGEJWQDE-UHFFFAOYSA-N 0 0 408.457 5.587 50 0 HKAARN CC(C)(C)C(=O)N(CCN(Cc1ccccc1)C(=O)C(C)(C)C)Cc1ccccc1 ZINC000004820440 557602463 /nfs/dbraw/zinc/60/24/63/557602463.db2.gz NJFBKSZMKUGTRP-UHFFFAOYSA-N 0 0 408.586 5.136 50 0 HKAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000004820629 557602692 /nfs/dbraw/zinc/60/26/92/557602692.db2.gz UEYZPVLXXCQCNR-UHFFFAOYSA-N 0 0 417.292 6.100 50 0 HKAARN CCOc1ccccc1C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000004820652 557602699 /nfs/dbraw/zinc/60/26/99/557602699.db2.gz WEWFCMVJHHIOSY-UHFFFAOYSA-N 0 0 400.503 6.128 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000004820752 557602726 /nfs/dbraw/zinc/60/27/26/557602726.db2.gz AIXXUVWXSCCVKF-UHFFFAOYSA-N 0 0 414.461 5.508 50 0 HKAARN O=C(Nc1nccs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000004820773 557602689 /nfs/dbraw/zinc/60/26/89/557602689.db2.gz BNEUXCKWAJOUAN-UHFFFAOYSA-N 0 0 408.486 5.673 50 0 HKAARN COc1c(Br)c2ccccc2cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004820778 557602735 /nfs/dbraw/zinc/60/27/35/557602735.db2.gz RHDYQWIEFDHMQQ-UHFFFAOYSA-N 0 0 414.343 5.310 50 0 HKAARN O=C(NCCc1ccccc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000004820852 557602714 /nfs/dbraw/zinc/60/27/14/557602714.db2.gz KRKGEGNUZTZHGT-UHFFFAOYSA-N 0 0 403.869 5.030 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000004820926 557602904 /nfs/dbraw/zinc/60/29/04/557602904.db2.gz SKBXRYISPKAZST-UHFFFAOYSA-N 0 0 400.503 6.128 50 0 HKAARN COc1ccc(-c2cc3ccc(OC(=O)c4ccc(C)cc4)cc3oc2=O)cc1OC ZINC000004820953 557602900 /nfs/dbraw/zinc/60/29/00/557602900.db2.gz PURHTPDGLCJIEA-UHFFFAOYSA-N 0 0 416.429 5.005 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccco4)c3)oc2c1 ZINC000004820958 557602898 /nfs/dbraw/zinc/60/28/98/557602898.db2.gz UOZCETZBKVWIHP-UHFFFAOYSA-N 0 0 411.870 5.176 50 0 HKAARN O=C(CCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1cccc(C(F)(F)F)c1 ZINC000004821077 557602888 /nfs/dbraw/zinc/60/28/88/557602888.db2.gz PWMBRHSEWPNELK-UHFFFAOYSA-N 0 0 409.407 5.878 50 0 HKAARN CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)c1 ZINC000004821102 557602849 /nfs/dbraw/zinc/60/28/49/557602849.db2.gz MBYSXKGFHRNQKI-VWLOTQADSA-N 0 0 403.522 5.238 50 0 HKAARN CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)c2cc(C)ccc2C)c1 ZINC000004821103 557602843 /nfs/dbraw/zinc/60/28/43/557602843.db2.gz MBYSXKGFHRNQKI-RUZDIDTESA-N 0 0 403.522 5.238 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2F)o1 ZINC000004821112 557603080 /nfs/dbraw/zinc/60/30/80/557603080.db2.gz BJIAOFIKVFPMKB-UHFFFAOYSA-N 0 0 411.483 5.482 50 0 HKAARN COc1ccc(CC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 ZINC000004821230 557603167 /nfs/dbraw/zinc/60/31/67/557603167.db2.gz RXUVRGBMOLCMPF-UHFFFAOYSA-N 0 0 400.503 5.667 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc(OC(C)C)c4)c3)oc2c1 ZINC000004821255 557603129 /nfs/dbraw/zinc/60/31/29/557603129.db2.gz JACGDKJOAVDAHD-UHFFFAOYSA-N 0 0 420.896 6.496 50 0 HKAARN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N2CCCc3ccccc32)n1 ZINC000004821352 132289533 /nfs/dbraw/zinc/28/95/33/132289533.db2.gz OEHUPWWHTKXUOD-UHFFFAOYSA-N 0 0 409.942 5.177 50 0 HKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccs1)C(=S)N2c1ccccc1 ZINC000004821881 132289780 /nfs/dbraw/zinc/28/97/80/132289780.db2.gz AOZGWJWJCBHURC-JTSKRJEESA-N 0 0 406.532 5.235 50 0 HKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(F)cc1)C(=S)N2c1ccccc1 ZINC000004821884 132289804 /nfs/dbraw/zinc/28/98/04/132289804.db2.gz VBWSIGMFMZJKTE-RDPSFJRHSA-N 0 0 418.493 5.313 50 0 HKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccccc1)C(=S)N2c1ccc(F)cc1 ZINC000004821890 132289790 /nfs/dbraw/zinc/28/97/90/132289790.db2.gz IOGZHUKBQDMUCO-RDPSFJRHSA-N 0 0 418.493 5.313 50 0 HKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=S)N2c1ccccc1 ZINC000004821900 132289769 /nfs/dbraw/zinc/28/97/69/132289769.db2.gz RNBGNJKSQFSSMX-RDPSFJRHSA-N 0 0 418.493 5.313 50 0 HKAARN CCCCc1nc2sc3c(ncnc3SCC(=O)OCC)c2c2c1CCCC2 ZINC000004822627 559151443 /nfs/dbraw/zinc/15/14/43/559151443.db2.gz DYQOIRRWTNLBRZ-UHFFFAOYSA-N 0 0 415.584 5.116 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)c1 ZINC000004823282 559151569 /nfs/dbraw/zinc/15/15/69/559151569.db2.gz BMPGBJBTTKNNCP-UHFFFAOYSA-N 0 0 406.429 5.079 50 0 HKAARN CCCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000004823819 557603273 /nfs/dbraw/zinc/60/32/73/557603273.db2.gz PCLISMWNADQHIR-UHFFFAOYSA-N 0 0 414.461 5.408 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(F)cc1 ZINC000004825422 557603494 /nfs/dbraw/zinc/60/34/94/557603494.db2.gz SWCABGJXOPGLPH-UHFFFAOYSA-N 0 0 413.470 5.057 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000004825751 559154653 /nfs/dbraw/zinc/15/46/53/559154653.db2.gz PQBOPSXUIJJWRM-OAQYLSRUSA-N 0 0 402.544 6.282 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000004825754 559154695 /nfs/dbraw/zinc/15/46/95/559154695.db2.gz PQBOPSXUIJJWRM-NRFANRHFSA-N 0 0 402.544 6.282 50 0 HKAARN COc1cc(-c2nc3ccccc3s2)cc(Cl)c1OCC(=O)c1ccccc1 ZINC000004825929 569071534 /nfs/dbraw/zinc/07/15/34/569071534.db2.gz DECNZDJHAPVNPF-UHFFFAOYSA-N 0 0 409.894 5.887 50 0 HKAARN O=C(CSCc1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000004825943 557603556 /nfs/dbraw/zinc/60/35/56/557603556.db2.gz DPJFEUHVWGPLIO-UHFFFAOYSA-N 0 0 418.400 5.164 50 0 HKAARN Cc1ccc(-c2nnc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)o2)cc1 ZINC000004825994 557603551 /nfs/dbraw/zinc/60/35/51/557603551.db2.gz SFHLGCHLDMVVND-UHFFFAOYSA-N 0 0 403.869 5.547 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl ZINC000004825999 557603581 /nfs/dbraw/zinc/60/35/81/557603581.db2.gz XOWVKVFNBAOXKJ-UHFFFAOYSA-N 0 0 405.841 5.318 50 0 HKAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000004827787 557603649 /nfs/dbraw/zinc/60/36/49/557603649.db2.gz IWCLWHRMBJAFPR-UHFFFAOYSA-N 0 0 407.267 5.439 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)Cc3cccs3)c(C)c2)cc1C ZINC000004828008 557603721 /nfs/dbraw/zinc/60/37/21/557603721.db2.gz ZVBNKUUFBJVIGT-UHFFFAOYSA-N 0 0 422.550 5.180 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1c[nH]c2ccccc12 ZINC000004828248 557603664 /nfs/dbraw/zinc/60/36/64/557603664.db2.gz DJVSIARHZFHHIU-UHFFFAOYSA-N 0 0 413.344 5.501 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000004828875 569071555 /nfs/dbraw/zinc/07/15/55/569071555.db2.gz 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COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc(OC)c1OC ZINC000004838638 557604912 /nfs/dbraw/zinc/60/49/12/557604912.db2.gz CAIGXWJTRAUCIU-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc(OC)c1OC ZINC000004838639 557604911 /nfs/dbraw/zinc/60/49/11/557604911.db2.gz GSGAINNZSBACHW-UHFFFAOYSA-N 0 0 418.449 5.081 50 0 HKAARN COc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1OC ZINC000004840747 559171281 /nfs/dbraw/zinc/17/12/81/559171281.db2.gz GWRFTHCGTQSZHS-UHFFFAOYSA-N 0 0 406.265 5.129 50 0 HKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000004843397 559171913 /nfs/dbraw/zinc/17/19/13/559171913.db2.gz HXTAHZCYGKCMSJ-XYJFISCASA-N 0 0 424.570 5.106 50 0 HKAARN CCOc1ccccc1Nc1nnc(SCc2cc(C(C)=O)ccc2OC)s1 ZINC000004843426 559171867 /nfs/dbraw/zinc/17/18/67/559171867.db2.gz SMQUNZHUFWAUCQ-UHFFFAOYSA-N 0 0 415.540 5.184 50 0 HKAARN Cc1cc2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2c2ccccc12 ZINC000004843537 559177295 /nfs/dbraw/zinc/17/72/95/559177295.db2.gz IXIIWFJIBYQYJP-UHFFFAOYSA-N 0 0 404.539 5.354 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000004843538 560609393 /nfs/dbraw/zinc/60/93/93/560609393.db2.gz IXIWZPQZBFTKJI-OAHLLOKOSA-N 0 0 404.539 5.435 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000004843539 559177275 /nfs/dbraw/zinc/17/72/75/559177275.db2.gz IXIWZPQZBFTKJI-HNNXBMFYSA-N 0 0 404.539 5.435 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000004844237 559179093 /nfs/dbraw/zinc/17/90/93/559179093.db2.gz TVWIOAMVEUAKHV-UHFFFAOYSA-N 0 0 410.521 5.361 50 0 HKAARN O=C(COc1cccc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004844278 559179084 /nfs/dbraw/zinc/17/90/84/559179084.db2.gz CQWKAFVKTBFKSI-UHFFFAOYSA-N 0 0 418.562 5.782 50 0 HKAARN O=c1c2cc(F)ccc2occ1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004844433 559179059 /nfs/dbraw/zinc/17/90/59/559179059.db2.gz GZIHAWSJLXDPJM-SQJMNOBHSA-N 0 0 412.420 5.174 50 0 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557606765 /nfs/dbraw/zinc/60/67/65/557606765.db2.gz LKSFOAXKKAKLEJ-PXDATVDWSA-N 0 0 400.478 5.255 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000004854094 557606790 /nfs/dbraw/zinc/60/67/90/557606790.db2.gz JMTPYWJPKBCFEH-XUZZJYLKSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000004854096 557606793 /nfs/dbraw/zinc/60/67/93/557606793.db2.gz JMTPYWJPKBCFEH-ZJSXRUAMSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004854098 559192255 /nfs/dbraw/zinc/19/22/55/559192255.db2.gz SELOHVQCYJVCBE-WIOPSUGQSA-N 0 0 416.908 5.709 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004854099 559192270 /nfs/dbraw/zinc/19/22/70/559192270.db2.gz SELOHVQCYJVCBE-RCZVLFRGSA-N 0 0 416.908 5.709 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000004854122 569071626 /nfs/dbraw/zinc/07/16/26/569071626.db2.gz 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CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000004854171 569289148 /nfs/dbraw/zinc/28/91/48/569289148.db2.gz BQKCJKCJYJBMRE-AZUAARDMSA-N 0 0 401.304 5.127 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000004854173 569289333 /nfs/dbraw/zinc/28/93/33/569289333.db2.gz BQKCJKCJYJBMRE-ICSRJNTNSA-N 0 0 401.304 5.127 50 0 HKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000004854189 557606751 /nfs/dbraw/zinc/60/67/51/557606751.db2.gz JYEFPAIQNHCQBF-FXAWDEMLSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000004854191 557606784 /nfs/dbraw/zinc/60/67/84/557606784.db2.gz JYEFPAIQNHCQBF-PXNSSMCTSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000004854241 557606833 /nfs/dbraw/zinc/60/68/33/557606833.db2.gz QHOGPGRCYZYVKW-PXNSSMCTSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000004854243 557606828 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CCCc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1 ZINC000004881263 557609673 /nfs/dbraw/zinc/60/96/73/557609673.db2.gz CBJGSYZQJIGJAJ-UHFFFAOYSA-N 0 0 407.301 5.048 50 0 HKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(CC(C)C)on1 ZINC000004881275 557609627 /nfs/dbraw/zinc/60/96/27/557609627.db2.gz XBXPQKCYCQFVCK-UHFFFAOYSA-N 0 0 421.328 5.294 50 0 HKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(CC(C)C)on1 ZINC000004881282 557609697 /nfs/dbraw/zinc/60/96/97/557609697.db2.gz UGCJTGCASMYOGG-UHFFFAOYSA-N 0 0 421.328 5.294 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n(-c2ccccn2)n1 ZINC000004881283 559196446 /nfs/dbraw/zinc/19/64/46/559196446.db2.gz BPJAGADTCNYNQL-UHFFFAOYSA-N 0 0 419.488 5.352 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1noc2c1CCCCC2 ZINC000004881300 557609729 /nfs/dbraw/zinc/60/97/29/557609729.db2.gz MAKOIFRDCDNGEJ-UHFFFAOYSA-N 0 0 410.495 5.101 50 0 HKAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C1 ZINC000004881309 557609726 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ZINC000004908075 534867562 /nfs/dbraw/zinc/86/75/62/534867562.db2.gz PDWFEUYTQGUAKG-UHFFFAOYSA-N 0 0 416.546 5.562 50 0 HKAARN COc1cccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)c1 ZINC000004908104 132293008 /nfs/dbraw/zinc/29/30/08/132293008.db2.gz BBHAAYHPYNAUBB-UHFFFAOYSA-N 0 0 404.535 5.368 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000004908127 132293023 /nfs/dbraw/zinc/29/30/23/132293023.db2.gz XDMXAHKDEHEHEF-UHFFFAOYSA-N 0 0 408.954 6.013 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1 ZINC000004908134 132293000 /nfs/dbraw/zinc/29/30/00/132293000.db2.gz JHENQWPPBGZNCN-UHFFFAOYSA-N 0 0 422.981 5.691 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccc(Cl)cc4)cc32)cc1 ZINC000004908143 132293081 /nfs/dbraw/zinc/29/30/81/132293081.db2.gz XFLMJIAXDIGZND-UHFFFAOYSA-N 0 0 422.981 5.691 50 0 HKAARN CCc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)cc1 ZINC000004908168 132293076 /nfs/dbraw/zinc/29/30/76/132293076.db2.gz CITLQJZNMJKHCQ-UHFFFAOYSA-N 0 0 402.563 5.922 50 0 HKAARN 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/nfs/dbraw/zinc/29/30/26/132293026.db2.gz PDDJZTXWKNHKGA-UHFFFAOYSA-N 0 0 402.563 5.976 50 0 HKAARN COc1ccc2cc3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)oc3nc2c1 ZINC000004908289 559200986 /nfs/dbraw/zinc/20/09/86/559200986.db2.gz YVTWQICCDSCJNC-UHFFFAOYSA-N 0 0 400.356 5.285 50 0 HKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908291 537047068 /nfs/dbraw/zinc/04/70/68/537047068.db2.gz RCMSOYBUDXIVHH-UHFFFAOYSA-N 0 0 418.562 5.046 50 0 aggregator HKAARN COc1cccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)c1 ZINC000004908298 132293054 /nfs/dbraw/zinc/29/30/54/132293054.db2.gz VBEUYEWQXJLPDD-UHFFFAOYSA-N 0 0 418.562 5.046 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccc(F)cc4)cc32)cc1 ZINC000004908304 132293073 /nfs/dbraw/zinc/29/30/73/132293073.db2.gz UDLQFFZDZGNDRR-UHFFFAOYSA-N 0 0 406.526 5.176 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NC[C@@H](C)c4ccccc4)cc32)cc1 ZINC000004908310 132293018 /nfs/dbraw/zinc/29/30/18/132293018.db2.gz RCOCDNWIOOHDON-HXUWFJFHSA-N 0 0 416.590 5.641 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NC[C@H](C)c4ccccc4)cc32)cc1 ZINC000004908316 132293047 /nfs/dbraw/zinc/29/30/47/132293047.db2.gz RCOCDNWIOOHDON-FQEVSTJZSA-N 0 0 416.590 5.641 50 0 HKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccc(Br)cc4)oc3nc2c1 ZINC000004908321 568422952 /nfs/dbraw/zinc/42/29/52/568422952.db2.gz HRAZSOMPTNCCST-UHFFFAOYSA-N 0 0 411.255 5.029 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCCC4=CCCCC4)cc32)cc1 ZINC000004908344 132293228 /nfs/dbraw/zinc/29/32/28/132293228.db2.gz VSLLBDZYQQTVMN-UHFFFAOYSA-N 0 0 406.595 5.728 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)N4CCc5ccccc54)cc32)cc1 ZINC000004908396 132293200 /nfs/dbraw/zinc/29/32/00/132293200.db2.gz VJYBYBRZUKXIMB-UHFFFAOYSA-N 0 0 400.547 5.310 50 0 HKAARN Cc1ccc(CN2CCSc3ccc(C(=O)N4CCc5ccccc5C4)cc32)cc1 ZINC000004908400 132293222 /nfs/dbraw/zinc/29/32/22/132293222.db2.gz MZAWXOVFGGUDIS-UHFFFAOYSA-N 0 0 414.574 5.306 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)cc1 ZINC000004908462 132293224 /nfs/dbraw/zinc/29/32/24/132293224.db2.gz 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ZINC000004908520 132293195 /nfs/dbraw/zinc/29/31/95/132293195.db2.gz FKQJPNBXUAJBNL-UHFFFAOYSA-N 0 0 410.489 5.007 50 0 HKAARN C[C@@H](CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)c1ccccc1 ZINC000004908526 132293240 /nfs/dbraw/zinc/29/32/40/132293240.db2.gz IFRUZRXPIJXJNJ-SFHVURJKSA-N 0 0 420.553 5.472 50 0 HKAARN C[C@H](CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)c1ccccc1 ZINC000004908532 132293229 /nfs/dbraw/zinc/29/32/29/132293229.db2.gz IFRUZRXPIJXJNJ-GOSISDBHSA-N 0 0 420.553 5.472 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908556 132293212 /nfs/dbraw/zinc/29/32/12/132293212.db2.gz AYOJPFZHFINJKE-UHFFFAOYSA-N 0 0 410.558 5.558 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004908578 559201142 /nfs/dbraw/zinc/20/11/42/559201142.db2.gz VBYXEDNNWPNSKG-UHFFFAOYSA-N 0 0 414.848 6.679 50 0 HKAARN CCN1CCSc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc21 ZINC000004908605 132293238 /nfs/dbraw/zinc/29/32/38/132293238.db2.gz QEBVVQAYDWFWQX-UHFFFAOYSA-N 0 0 402.519 5.102 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c(C)c1 ZINC000004908620 559201148 /nfs/dbraw/zinc/20/11/48/559201148.db2.gz GLAZICCPIYRQLT-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN CCN(CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1)c1ccccc1 ZINC000004908792 559201143 /nfs/dbraw/zinc/20/11/43/559201143.db2.gz PQPCPACKWHFLIE-UHFFFAOYSA-N 0 0 407.901 5.281 50 0 HKAARN O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CCS2 ZINC000004908807 132293204 /nfs/dbraw/zinc/29/32/04/132293204.db2.gz JMALBSMFGAFMNJ-UHFFFAOYSA-N 0 0 422.981 5.425 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3)c1ccccc1 ZINC000004909383 559201377 /nfs/dbraw/zinc/20/13/77/559201377.db2.gz VIWHIWGVPALXRR-UHFFFAOYSA-N 0 0 416.571 6.212 50 0 HKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)cccc3OC4)C[C@@H]2C)cc1 ZINC000004909439 132293412 /nfs/dbraw/zinc/29/34/12/132293412.db2.gz ZEEDBCHYQZMXLK-SFHVURJKSA-N 0 0 418.562 5.275 50 0 HKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)cccc3OC4)C[C@H]2C)cc1 ZINC000004909445 132293494 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HKAARN COc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000004909726 559201592 /nfs/dbraw/zinc/20/15/92/559201592.db2.gz AGFLXZFJYHWLTF-UHFFFAOYSA-N 0 0 417.896 5.570 50 0 HKAARN COc1ccc(Nc2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc1 ZINC000004909740 559201575 /nfs/dbraw/zinc/20/15/75/559201575.db2.gz XNYMCCAYHVWJTN-UHFFFAOYSA-N 0 0 403.526 5.830 50 0 HKAARN COc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000004909817 559201588 /nfs/dbraw/zinc/20/15/88/559201588.db2.gz UOUZESTWBMNFDD-UHFFFAOYSA-N 0 0 411.505 5.268 50 0 biogenic HKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000004909836 559201598 /nfs/dbraw/zinc/20/15/98/559201598.db2.gz BFGNGIWNULIYGN-JWQCQUIFSA-N 0 0 423.516 5.280 50 0 HKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000004909842 559201553 /nfs/dbraw/zinc/20/15/53/559201553.db2.gz BFGNGIWNULIYGN-LOSJGSFVSA-N 0 0 423.516 5.280 50 0 HKAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000004909847 559201569 /nfs/dbraw/zinc/20/15/69/559201569.db2.gz BFGNGIWNULIYGN-RPBOFIJWSA-N 0 0 423.516 5.280 50 0 HKAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000004909853 559201550 /nfs/dbraw/zinc/20/15/50/559201550.db2.gz BFGNGIWNULIYGN-DQEYMECFSA-N 0 0 423.516 5.280 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc2sc(N3CCCc4ccccc43)nc21 ZINC000004909867 132293408 /nfs/dbraw/zinc/29/34/08/132293408.db2.gz VPNBHDPQHBSXAF-UHFFFAOYSA-N 0 0 417.578 6.001 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000004909882 559201600 /nfs/dbraw/zinc/20/16/00/559201600.db2.gz FGCMCPGIPIDNDA-DRSNIGMVSA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000004909888 559201582 /nfs/dbraw/zinc/20/15/82/559201582.db2.gz FGCMCPGIPIDNDA-GSHUGGBRSA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1 ZINC000004909904 559201590 /nfs/dbraw/zinc/20/15/90/559201590.db2.gz 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WNCGXNVZIRPQFB-UHFFFAOYSA-N 0 0 419.638 6.810 50 0 HKAARN CCn1cc(CN(C(=S)Nc2ccc(OC)c(Cl)c2)C(C)C)c2ccccc21 ZINC000004913929 559203152 /nfs/dbraw/zinc/20/31/52/559203152.db2.gz IPISZQCKLJMMCP-UHFFFAOYSA-N 0 0 415.990 5.931 50 0 HKAARN CCn1cc(CN(C(=S)Nc2cccc(C(F)(F)F)c2)C(C)C)c2ccccc21 ZINC000004913939 559203162 /nfs/dbraw/zinc/20/31/62/559203162.db2.gz ADYFTRRFGUETDB-UHFFFAOYSA-N 0 0 419.516 6.287 50 0 HKAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000004913963 559203129 /nfs/dbraw/zinc/20/31/29/559203129.db2.gz QURBGEBTXBDCPV-FQEVSTJZSA-N 0 0 408.571 5.042 50 0 HKAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1ccc(C)cc1 ZINC000004913983 559203151 /nfs/dbraw/zinc/20/31/51/559203151.db2.gz QURBGEBTXBDCPV-HXUWFJFHSA-N 0 0 408.571 5.042 50 0 HKAARN CCn1cc(CN(C(=S)Nc2cc(C)cc(C)c2)C2CCCCC2)c2ccccc21 ZINC000004913997 559203119 /nfs/dbraw/zinc/20/31/19/559203119.db2.gz RCUZZMZVOTUHTO-UHFFFAOYSA-N 0 0 419.638 6.810 50 0 HKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(SC)c1 ZINC000004914043 559203158 /nfs/dbraw/zinc/20/31/58/559203158.db2.gz CWLSBVKPWSMAHI-QGZVFWFLSA-N 0 0 411.640 6.381 50 0 HKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(SC)c1 ZINC000004914062 559203144 /nfs/dbraw/zinc/20/31/44/559203144.db2.gz CWLSBVKPWSMAHI-KRWDZBQOSA-N 0 0 411.640 6.381 50 0 HKAARN CCn1cc(CN(C(=S)Nc2cccc(C)c2C)C2CCCCC2)c2ccccc21 ZINC000004914119 559203207 /nfs/dbraw/zinc/20/32/07/559203207.db2.gz UXIKDIYKHOMCJM-UHFFFAOYSA-N 0 0 419.638 6.810 50 0 HKAARN Fc1cccc(CSc2nc3ccncc3n2Cc2c(F)cccc2Cl)c1 ZINC000004914137 559203232 /nfs/dbraw/zinc/20/32/32/559203232.db2.gz RUPQUJNNMUMULP-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(C)cc1Cl ZINC000004914144 559203257 /nfs/dbraw/zinc/20/32/57/559203257.db2.gz TZYJKDHWRALVPO-QGZVFWFLSA-N 0 0 414.018 6.621 50 0 HKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(C)cc1Cl ZINC000004914154 559203229 /nfs/dbraw/zinc/20/32/29/559203229.db2.gz TZYJKDHWRALVPO-KRWDZBQOSA-N 0 0 414.018 6.621 50 0 HKAARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914204 559203191 /nfs/dbraw/zinc/20/31/91/559203191.db2.gz TZHFRWYIJQYPOW-JOCHJYFZSA-N 0 0 400.869 5.183 50 0 HKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)C1 ZINC000004914215 132294006 /nfs/dbraw/zinc/29/40/06/132294006.db2.gz ASFIVQACLZMLMF-XMSQKQJNSA-N 0 0 421.968 5.593 50 0 HKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914218 559203245 /nfs/dbraw/zinc/20/32/45/559203245.db2.gz TZHFRWYIJQYPOW-QFIPXVFZSA-N 0 0 400.869 5.183 50 0 HKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)C1 ZINC000004914225 132293959 /nfs/dbraw/zinc/29/39/59/132293959.db2.gz ASFIVQACLZMLMF-GCJKJVERSA-N 0 0 421.968 5.593 50 0 HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000004914286 559203209 /nfs/dbraw/zinc/20/32/09/559203209.db2.gz VXIGITDVCSYTLA-JOCHJYFZSA-N 0 0 400.869 5.183 50 0 HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000004914287 559203184 /nfs/dbraw/zinc/20/31/84/559203184.db2.gz VXIGITDVCSYTLA-QFIPXVFZSA-N 0 0 400.869 5.183 50 0 HKAARN Fc1ccc(CSc2nc3ccncc3n2Cc2c(F)cccc2Cl)cc1 ZINC000004914314 559203205 /nfs/dbraw/zinc/20/32/05/559203205.db2.gz YUXRPPPRPMNHPX-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2Cc2c(F)cccc2Cl)c1 ZINC000004914485 559203234 /nfs/dbraw/zinc/20/32/34/559203234.db2.gz ZCVPUCPTXUODCQ-UHFFFAOYSA-N 0 0 411.933 6.181 50 0 HKAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000004914494 559203270 /nfs/dbraw/zinc/20/32/70/559203270.db2.gz SMZHIIMNCQVIGX-NRFANRHFSA-N 0 0 422.598 5.350 50 0 HKAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cc(C)ccc1C ZINC000004914508 559203264 /nfs/dbraw/zinc/20/32/64/559203264.db2.gz SMZHIIMNCQVIGX-OAQYLSRUSA-N 0 0 422.598 5.350 50 0 HKAARN Fc1ccccc1CSc1nc2ccncc2n1Cc1c(F)cccc1Cl ZINC000004914635 559203255 /nfs/dbraw/zinc/20/32/55/559203255.db2.gz UCUSJTJCDRATPC-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN Cc1cc(C)c(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)c(C)c1 ZINC000004914744 559203369 /nfs/dbraw/zinc/20/33/69/559203369.db2.gz MOBGAIXDKJRGFA-UHFFFAOYSA-N 0 0 407.970 6.351 50 0 HKAARN COc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(OC)c1 ZINC000004914961 559203334 /nfs/dbraw/zinc/20/33/34/559203334.db2.gz HVTBTAUHZBAWBA-QFIPXVFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(OC)c1 ZINC000004914963 559203332 /nfs/dbraw/zinc/20/33/32/559203332.db2.gz HVTBTAUHZBAWBA-JOCHJYFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1OC ZINC000004914972 559203325 /nfs/dbraw/zinc/20/33/25/559203325.db2.gz HZDJIAYVYZUQCM-QFIPXVFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1OC ZINC000004914973 559203385 /nfs/dbraw/zinc/20/33/85/559203385.db2.gz HZDJIAYVYZUQCM-JOCHJYFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1ccc(OC)c(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004914981 559203358 /nfs/dbraw/zinc/20/33/58/559203358.db2.gz ZPULBGWVJHWKOJ-QFIPXVFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1ccc(OC)c(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004914983 559203371 /nfs/dbraw/zinc/20/33/71/559203371.db2.gz ZPULBGWVJHWKOJ-JOCHJYFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1cc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc(OC)c1 ZINC000004914990 559203351 /nfs/dbraw/zinc/20/33/51/559203351.db2.gz XBBKJQVUCFFHDF-QFIPXVFZSA-N 0 0 408.885 5.124 50 0 HKAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc(OC)c1 ZINC000004914993 559203390 /nfs/dbraw/zinc/20/33/90/559203390.db2.gz XBBKJQVUCFFHDF-JOCHJYFZSA-N 0 0 408.885 5.124 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915057 559203403 /nfs/dbraw/zinc/20/34/03/559203403.db2.gz IVZOKDLUTGLRLS-QFIPXVFZSA-N 0 0 420.896 5.283 50 0 HKAARN CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915065 559203423 /nfs/dbraw/zinc/20/34/23/559203423.db2.gz IVZOKDLUTGLRLS-JOCHJYFZSA-N 0 0 420.896 5.283 50 0 HKAARN CCOC(=O)c1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915071 559203417 /nfs/dbraw/zinc/20/34/17/559203417.db2.gz AMSJAUSZXHBQNR-QFIPXVFZSA-N 0 0 420.896 5.283 50 0 HKAARN CCOC(=O)c1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915075 559203409 /nfs/dbraw/zinc/20/34/09/559203409.db2.gz AMSJAUSZXHBQNR-JOCHJYFZSA-N 0 0 420.896 5.283 50 0 HKAARN CC(=O)Nc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915170 559203397 /nfs/dbraw/zinc/20/33/97/559203397.db2.gz CVAAAWZJBMENQL-QFIPXVFZSA-N 0 0 405.885 5.065 50 0 HKAARN CC(=O)Nc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915180 559203450 /nfs/dbraw/zinc/20/34/50/559203450.db2.gz CVAAAWZJBMENQL-JOCHJYFZSA-N 0 0 405.885 5.065 50 0 HKAARN O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@@H](Cc3ccccc3)C[C@H]12 ZINC000004915201 132293988 /nfs/dbraw/zinc/29/39/88/132293988.db2.gz PGQBPMVSBPQSQY-AVRDEDQJSA-N 0 0 407.941 5.032 50 0 HKAARN CCOC(=O)c1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004915206 559203410 /nfs/dbraw/zinc/20/34/10/559203410.db2.gz RBGDHAWBAQLLLU-QFIPXVFZSA-N 0 0 420.896 5.283 50 0 HKAARN O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](Cc3ccccc3)C[C@H]12 ZINC000004915211 132294053 /nfs/dbraw/zinc/29/40/53/132294053.db2.gz PGQBPMVSBPQSQY-GCJKJVERSA-N 0 0 407.941 5.032 50 0 HKAARN CCOC(=O)c1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004915218 559203414 /nfs/dbraw/zinc/20/34/14/559203414.db2.gz RBGDHAWBAQLLLU-JOCHJYFZSA-N 0 0 420.896 5.283 50 0 HKAARN CCc1cccc(C)c1N[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000004915561 559204030 /nfs/dbraw/zinc/20/40/30/559204030.db2.gz JNRCQJBASAMGAA-DEOSSOPVSA-N 0 0 400.478 5.053 50 0 HKAARN CCc1cccc(C)c1N[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000004915572 559204059 /nfs/dbraw/zinc/20/40/59/559204059.db2.gz JNRCQJBASAMGAA-XMMPIXPASA-N 0 0 400.478 5.053 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000004916080 559204081 /nfs/dbraw/zinc/20/40/81/559204081.db2.gz VAXMXGRQAYYVGN-UHFFFAOYSA-N 0 0 402.281 5.063 50 0 HKAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccc(C)cc3)ccc2c1=O ZINC000004916087 559204033 /nfs/dbraw/zinc/20/40/33/559204033.db2.gz QJIJVNHYQDPONM-UHFFFAOYSA-N 0 0 400.430 5.305 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2C(F)(F)F)CC(=O)N1 ZINC000004916708 557614015 /nfs/dbraw/zinc/61/40/15/557614015.db2.gz HEIHDXPRKBFQQQ-KRWDZBQOSA-N 0 0 409.448 5.239 50 0 HKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1 ZINC000004916715 557614052 /nfs/dbraw/zinc/61/40/52/557614052.db2.gz HEIHDXPRKBFQQQ-QGZVFWFLSA-N 0 0 409.448 5.239 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1 ZINC000004916895 557614011 /nfs/dbraw/zinc/61/40/11/557614011.db2.gz UCYWTFVWTICKQA-HAVBXNNZSA-N 0 0 409.555 5.022 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1 ZINC000004916897 557614088 /nfs/dbraw/zinc/61/40/88/557614088.db2.gz UCYWTFVWTICKQA-VYBOSXCSSA-N 0 0 409.555 5.022 50 0 HKAARN CCCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(C)(C)C ZINC000004916910 559204285 /nfs/dbraw/zinc/20/42/85/559204285.db2.gz DFCJWECOYZHNLX-QHCPKHFHSA-N 0 0 412.599 5.040 50 0 HKAARN CCCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(C)(C)C ZINC000004916914 559204239 /nfs/dbraw/zinc/20/42/39/559204239.db2.gz DFCJWECOYZHNLX-HSZRJFAPSA-N 0 0 412.599 5.040 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(Br)cc2F)nc1 ZINC000004917424 559204371 /nfs/dbraw/zinc/20/43/71/559204371.db2.gz OUUWCXJITRDTBQ-IBGZPJMESA-N 0 0 412.262 5.063 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(Br)cc2F)nc1 ZINC000004917431 559204353 /nfs/dbraw/zinc/20/43/53/559204353.db2.gz OUUWCXJITRDTBQ-LJQANCHMSA-N 0 0 412.262 5.063 50 0 HKAARN CCc1ccc(NC[C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000004918268 559204501 /nfs/dbraw/zinc/20/45/01/559204501.db2.gz CHQRIMDEBYSESC-RPWUZVMVSA-N 0 0 420.940 5.486 50 0 HKAARN CCc1ccc(NC[C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000004918276 559204542 /nfs/dbraw/zinc/20/45/42/559204542.db2.gz CHQRIMDEBYSESC-ZEQRLZLVSA-N 0 0 420.940 5.486 50 0 HKAARN CCc1ccc(NC[C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000004918282 559204524 /nfs/dbraw/zinc/20/45/24/559204524.db2.gz CHQRIMDEBYSESC-DNQXCXABSA-N 0 0 420.940 5.486 50 0 HKAARN CCc1ccc(NC[C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000004918285 559204546 /nfs/dbraw/zinc/20/45/46/559204546.db2.gz CHQRIMDEBYSESC-BJKOFHAPSA-N 0 0 420.940 5.486 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000004918319 559204509 /nfs/dbraw/zinc/20/45/09/559204509.db2.gz HABGFOGSIVTREE-QHCPKHFHSA-N 0 0 416.477 5.033 50 0 HKAARN CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000004918320 559204531 /nfs/dbraw/zinc/20/45/31/559204531.db2.gz HABGFOGSIVTREE-HSZRJFAPSA-N 0 0 416.477 5.033 50 0 HKAARN CC1(C)Cc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C(=O)C1 ZINC000004918398 557614293 /nfs/dbraw/zinc/61/42/93/557614293.db2.gz AZCYNGJONIXVRC-UHFFFAOYSA-N 0 0 404.491 5.175 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccccc2[C@H]1Nc1ccc(Br)c(C)c1 ZINC000004918522 559204648 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CCc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 ZINC000004927682 559208104 /nfs/dbraw/zinc/20/81/04/559208104.db2.gz MXUUKSNLYVDNSS-UHFFFAOYSA-N 0 0 417.534 5.308 50 0 HKAARN Cc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)NCc2ccco2)cc1 ZINC000004927694 559208120 /nfs/dbraw/zinc/20/81/20/559208120.db2.gz SEPVPOJEEMKMRO-UHFFFAOYSA-N 0 0 403.507 5.054 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000004927698 559208166 /nfs/dbraw/zinc/20/81/66/559208166.db2.gz XCHPCIMLZQSARS-UHFFFAOYSA-N 0 0 417.534 5.362 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC3CCCC3)[nH]2)cc1 ZINC000004927720 559208111 /nfs/dbraw/zinc/20/81/11/559208111.db2.gz WHNKJHKRLUEPLD-UHFFFAOYSA-N 0 0 421.566 5.212 50 0 HKAARN COc1cccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC3CCCC3)[nH]2)c1 ZINC000004927721 559208147 /nfs/dbraw/zinc/20/81/47/559208147.db2.gz PFPPEYUFQAZMJY-UHFFFAOYSA-N 0 0 421.566 5.212 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(C)cc3)[nH]c2SCC(=O)NC2CCCC2)cc1 ZINC000004927731 559208084 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COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 ZINC000004927906 559208287 /nfs/dbraw/zinc/20/82/87/559208287.db2.gz USYTUOOETVTZPQ-UHFFFAOYSA-N 0 0 415.518 5.483 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc(F)cc1 ZINC000004927912 559208242 /nfs/dbraw/zinc/20/82/42/559208242.db2.gz BREQOJWQZHJISX-UHFFFAOYSA-N 0 0 403.482 5.614 50 0 HKAARN COc1cc(OC)cc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)c1 ZINC000004928083 559208363 /nfs/dbraw/zinc/20/83/63/559208363.db2.gz SBPACSCXKMPQHK-UHFFFAOYSA-N 0 0 411.508 5.170 50 0 HKAARN CSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000004928610 559208433 /nfs/dbraw/zinc/20/84/33/559208433.db2.gz CMVTVPPJXLTLHC-DTQAZKPQSA-N 0 0 406.532 5.166 50 0 HKAARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928643 559208486 /nfs/dbraw/zinc/20/84/86/559208486.db2.gz VHYWLZDNQWMGFY-XMMPIXPASA-N 0 0 413.908 6.097 50 0 HKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928646 559208394 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FLSRZZPGKBDWRP-XMMPIXPASA-N 0 0 413.908 6.097 50 0 HKAARN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928785 559208591 /nfs/dbraw/zinc/20/85/91/559208591.db2.gz FLSRZZPGKBDWRP-DEOSSOPVSA-N 0 0 413.908 6.097 50 0 HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000004928793 559208551 /nfs/dbraw/zinc/20/85/51/559208551.db2.gz PUPHTMFZUPWQNE-HSZRJFAPSA-N 0 0 415.880 5.494 50 0 HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000004928795 559208536 /nfs/dbraw/zinc/20/85/36/559208536.db2.gz PUPHTMFZUPWQNE-QHCPKHFHSA-N 0 0 415.880 5.494 50 0 HKAARN CCCN(CCC)C(=O)c1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000004928820 559208598 /nfs/dbraw/zinc/20/85/98/559208598.db2.gz GJJFOFXJFFHLMA-UHFFFAOYSA-N 0 0 423.557 5.837 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000004929332 559208802 /nfs/dbraw/zinc/20/88/02/559208802.db2.gz HTYYUUOQYWPKFF-UHFFFAOYSA-N 0 0 412.470 5.787 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccccc21 ZINC000004929571 559208920 /nfs/dbraw/zinc/20/89/20/559208920.db2.gz DZXAFUGCODAIDC-UHFFFAOYSA-N 0 0 420.965 6.656 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2Sc2ccccc21 ZINC000004929592 559208926 /nfs/dbraw/zinc/20/89/26/559208926.db2.gz UCZHCDODIDKXDY-UHFFFAOYSA-N 0 0 416.546 6.011 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCc3ccc(C)cc3)ccc2Sc2ccccc21 ZINC000004929598 559208927 /nfs/dbraw/zinc/20/89/27/559208927.db2.gz UGEMMRDELAECQP-UHFFFAOYSA-N 0 0 400.547 6.311 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Sc2ccccc21 ZINC000004929610 559208922 /nfs/dbraw/zinc/20/89/22/559208922.db2.gz UVZSYUZNSZPUNX-KRWDZBQOSA-N 0 0 400.547 6.563 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Sc2ccccc21 ZINC000004929616 559208910 /nfs/dbraw/zinc/20/89/10/559208910.db2.gz UVZSYUZNSZPUNX-QGZVFWFLSA-N 0 0 400.547 6.563 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc2Sc2ccccc21 ZINC000004929645 559208947 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CC1=Nc2cc(C(=O)N(C)Cc3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000004929782 559208929 /nfs/dbraw/zinc/20/89/29/559208929.db2.gz RPDGUGVXQTXDHS-UHFFFAOYSA-N 0 0 406.938 6.218 50 0 HKAARN CC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2Sc2ccc(Cl)cc21 ZINC000004929789 559208934 /nfs/dbraw/zinc/20/89/34/559208934.db2.gz SFIVRSFNGJKUBT-UHFFFAOYSA-N 0 0 404.922 6.148 50 0 HKAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccccc2F)c1C ZINC000004929818 559208951 /nfs/dbraw/zinc/20/89/51/559208951.db2.gz APZKIAGABHXQLK-UHFFFAOYSA-N 0 0 418.493 5.117 50 0 HKAARN CCC1=Nc2cc(C(=O)NC3CCCCCC3)ccc2Sc2ccc(Cl)cc21 ZINC000004929836 559208918 /nfs/dbraw/zinc/20/89/18/559208918.db2.gz DGNUIMMZEPXTGN-UHFFFAOYSA-N 0 0 412.986 6.788 50 0 HKAARN CCC1=Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000004929860 559208935 /nfs/dbraw/zinc/20/89/35/559208935.db2.gz CIFFMWVNBSLROG-HNNXBMFYSA-N 0 0 420.965 6.826 50 0 HKAARN CCC1=Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000004929866 559208937 /nfs/dbraw/zinc/20/89/37/559208937.db2.gz 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/nfs/dbraw/zinc/20/90/58/559209058.db2.gz TVHWXRQBMRJWSQ-UHFFFAOYSA-N 0 0 420.965 6.608 50 0 HKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCc3ccc(Cl)cc3)ccc1S2 ZINC000004929971 559209041 /nfs/dbraw/zinc/20/90/41/559209041.db2.gz RXZMQWBJOKJSTA-UHFFFAOYSA-N 0 0 406.938 6.184 50 0 HKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCc3ccc4c(c3)OCO4)ccc1S2 ZINC000004930006 559209054 /nfs/dbraw/zinc/20/90/54/559209054.db2.gz DUJMJZZQXIBZRX-UHFFFAOYSA-N 0 0 416.502 5.259 50 0 HKAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)N=C(C)c2cc(C)ccc2S3)cc1 ZINC000004930018 559209005 /nfs/dbraw/zinc/20/90/05/559209005.db2.gz XTEXNOBLARKECD-UHFFFAOYSA-N 0 0 400.547 5.881 50 0 HKAARN CCC1=Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Sc2ccc(C)cc21 ZINC000004930068 559209019 /nfs/dbraw/zinc/20/90/19/559209019.db2.gz BEMJYEMIOIFOOP-UHFFFAOYSA-N 0 0 420.965 6.574 50 0 HKAARN CCC1=Nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2Sc2ccc(C)cc21 ZINC000004930088 559209034 /nfs/dbraw/zinc/20/90/34/559209034.db2.gz OHBVHHLRYRTPQV-UHFFFAOYSA-N 0 0 416.546 5.929 50 0 HKAARN CCC1=Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930092 559209039 /nfs/dbraw/zinc/20/90/39/559209039.db2.gz MWIGXKXQXSQDRI-KRWDZBQOSA-N 0 0 400.547 6.481 50 0 HKAARN CCC1=Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930099 559209042 /nfs/dbraw/zinc/20/90/42/559209042.db2.gz MWIGXKXQXSQDRI-QGZVFWFLSA-N 0 0 400.547 6.481 50 0 HKAARN CCC1=Nc2cc(C(=O)NCCC3=CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004930139 559208981 /nfs/dbraw/zinc/20/89/81/559208981.db2.gz MLBHYKXHCHQHAZ-UHFFFAOYSA-N 0 0 404.579 6.611 50 0 HKAARN CCC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930146 559209060 /nfs/dbraw/zinc/20/90/60/559209060.db2.gz JWCHWCCAADLFQG-UHFFFAOYSA-N 0 0 400.547 5.963 50 0 HKAARN CCC1=Nc2cc(C(=O)N(C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930157 559209036 /nfs/dbraw/zinc/20/90/36/559209036.db2.gz FXHJLZOEHPJEHE-UHFFFAOYSA-N 0 0 400.547 6.263 50 0 HKAARN CCCC1=Nc2cc(C(=O)NC3CCCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004930207 559209184 /nfs/dbraw/zinc/20/91/84/559209184.db2.gz 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CCCC1=Nc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000004930262 559209148 /nfs/dbraw/zinc/20/91/48/559209148.db2.gz ZXKXIPUNRAAPJO-YLJYHZDGSA-N 0 0 406.595 6.689 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@H]3CCCC[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000004930269 559209166 /nfs/dbraw/zinc/20/91/66/559209166.db2.gz ZXKXIPUNRAAPJO-XLIONFOSSA-N 0 0 406.595 6.689 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000004930274 559209160 /nfs/dbraw/zinc/20/91/60/559209160.db2.gz RXCVVDFCELGVKA-BBTUJRGHSA-N 0 0 420.622 6.935 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000004930286 559209186 /nfs/dbraw/zinc/20/91/86/559209186.db2.gz RXCVVDFCELGVKA-LVCYWYKZSA-N 0 0 420.622 6.935 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCCC3=CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004930304 559209156 /nfs/dbraw/zinc/20/91/56/559209156.db2.gz LYRRTXXJTWCKMA-UHFFFAOYSA-N 0 0 418.606 7.001 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930326 559209149 /nfs/dbraw/zinc/20/91/49/559209149.db2.gz DQIQDKIRMGCLBM-UHFFFAOYSA-N 0 0 414.574 6.353 50 0 aggregator HKAARN CCCC1=Nc2cc(C(=O)NCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930331 559209243 /nfs/dbraw/zinc/20/92/43/559209243.db2.gz UUVBXPKQRILITL-UHFFFAOYSA-N 0 0 400.547 6.311 50 0 HKAARN CCCC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2Sc2ccc(C)cc21 ZINC000004930343 557614423 /nfs/dbraw/zinc/61/44/23/557614423.db2.gz HXFYNAKEOIYHJT-UHFFFAOYSA-N 0 0 412.558 6.583 50 0 HKAARN CC1=Nc2cc(C(=O)NC3CCCC3)ccc2Sc2ccc(Br)cc21 ZINC000004930387 559209263 /nfs/dbraw/zinc/20/92/63/559209263.db2.gz KTJNGVCULMAPAC-UHFFFAOYSA-N 0 0 415.356 5.727 50 0 aggregator HKAARN CCC1=Nc2cc(C(=O)NCCCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930405 559209293 /nfs/dbraw/zinc/20/92/93/559209293.db2.gz CONICNRTPNWRKQ-UHFFFAOYSA-N 0 0 414.574 6.353 50 0 HKAARN CCC1=Nc2cc(C(=O)NCc3ccccc3OC)ccc2Sc2ccc(C)cc21 ZINC000004930411 559209255 /nfs/dbraw/zinc/20/92/55/559209255.db2.gz JVIJOZHEPPTPFE-UHFFFAOYSA-N 0 0 416.546 5.929 50 0 HKAARN CCC1=Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2Sc2ccc(C)cc21 ZINC000004930418 559209257 /nfs/dbraw/zinc/20/92/57/559209257.db2.gz GXSXIUNHKVXECQ-UHFFFAOYSA-N 0 0 404.510 6.060 50 0 HKAARN CCC1=Nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930425 559209240 /nfs/dbraw/zinc/20/92/40/559209240.db2.gz JPEZJNQKULHEGA-GOSISDBHSA-N 0 0 414.574 6.524 50 0 HKAARN CCC1=Nc2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000004930430 559209269 /nfs/dbraw/zinc/20/92/69/559209269.db2.gz JPEZJNQKULHEGA-SFHVURJKSA-N 0 0 414.574 6.524 50 0 HKAARN CCCSCCCNC(=O)c1ccc2c(c1)N=C(CC)c1cc(C)ccc1S2 ZINC000004930441 559209289 /nfs/dbraw/zinc/20/92/89/559209289.db2.gz NZTPRPFNMZHGER-UHFFFAOYSA-N 0 0 412.624 6.254 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCc3ccccc3OC)ccc2Sc2ccccc21 ZINC000004930462 559209249 /nfs/dbraw/zinc/20/92/49/559209249.db2.gz MQIKLLAHNQLRAB-UHFFFAOYSA-N 0 0 416.546 6.011 50 0 HKAARN CCCC1=Nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Sc2ccccc21 ZINC000004930468 559209284 /nfs/dbraw/zinc/20/92/84/559209284.db2.gz QKYCUOJWSHYPPQ-GOSISDBHSA-N 0 0 414.574 6.606 50 0 aggregator HKAARN CCCC1=Nc2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Sc2ccccc21 ZINC000004930474 559209228 /nfs/dbraw/zinc/20/92/28/559209228.db2.gz QKYCUOJWSHYPPQ-SFHVURJKSA-N 0 0 414.574 6.606 50 0 aggregator HKAARN CCCC1=Nc2cc(C(=O)NCCCc3ccccc3)ccc2Sc2ccccc21 ZINC000004930486 559209292 /nfs/dbraw/zinc/20/92/92/559209292.db2.gz YYSINOBWHNAPMN-UHFFFAOYSA-N 0 0 414.574 6.435 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCC(OCC)OCC)ccc2Sc2ccccc21 ZINC000004930503 559209595 /nfs/dbraw/zinc/20/95/95/559209595.db2.gz LCQXJAKAWYBNAS-UHFFFAOYSA-N 0 0 412.555 5.201 50 0 HKAARN CCCC1=Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2Sc2ccccc21 ZINC000004930509 559209593 /nfs/dbraw/zinc/20/95/93/559209593.db2.gz FULTXCOXAPIPDL-UHFFFAOYSA-N 0 0 404.510 6.141 50 0 HKAARN Cc1ccc(Cc2c(C)nc(SCc3ccc(C(F)(F)F)cc3)n(C)c2=O)cc1 ZINC000004930609 559209605 /nfs/dbraw/zinc/20/96/05/559209605.db2.gz VLMNFCGJVVRITC-UHFFFAOYSA-N 0 0 418.484 5.299 50 0 HKAARN CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000004931061 559209723 /nfs/dbraw/zinc/20/97/23/559209723.db2.gz FLNVIAFLZZMIIR-BKMJKUGQSA-N 0 0 412.489 5.263 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000004931067 559209695 /nfs/dbraw/zinc/20/96/95/559209695.db2.gz FLNVIAFLZZMIIR-NVQXNPDNSA-N 0 0 412.489 5.263 50 0 HKAARN O=C(NP(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000004931307 559209782 /nfs/dbraw/zinc/20/97/82/559209782.db2.gz GDPIEEKVIQLALR-UHFFFAOYSA-N 0 0 406.466 5.127 50 0 HKAARN CCOC(=O)c1sc(N2N=C3CCCC[C@H]3[C@H]2c2ccc(OCC)cc2)nc1C ZINC000004931385 559209789 /nfs/dbraw/zinc/20/97/89/559209789.db2.gz VCVCOYQFEAHTTM-IEBWSBKVSA-N 0 0 413.543 5.134 50 0 HKAARN CCOC(=O)c1sc(N2N=C3CCCC[C@H]3[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000004931392 559209804 /nfs/dbraw/zinc/20/98/04/559209804.db2.gz VCVCOYQFEAHTTM-MJGOQNOKSA-N 0 0 413.543 5.134 50 0 HKAARN CCOC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@H]2c2ccc(OCC)cc2)nc1C ZINC000004931395 559209794 /nfs/dbraw/zinc/20/97/94/559209794.db2.gz VCVCOYQFEAHTTM-PKOBYXMFSA-N 0 0 413.543 5.134 50 0 HKAARN CCOC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000004931400 559209778 /nfs/dbraw/zinc/20/97/78/559209778.db2.gz VCVCOYQFEAHTTM-HKUYNNGSSA-N 0 0 413.543 5.134 50 0 HKAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004931638 132294828 /nfs/dbraw/zinc/29/48/28/132294828.db2.gz ONYGRDYOGKLQTP-DVMYJCGFSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004931640 132294817 /nfs/dbraw/zinc/29/48/17/132294817.db2.gz ONYGRDYOGKLQTP-ZLHNPERRSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000004931642 132294812 /nfs/dbraw/zinc/29/48/12/132294812.db2.gz ONYGRDYOGKLQTP-JECRCEAPSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000004931644 132294814 /nfs/dbraw/zinc/29/48/14/132294814.db2.gz ONYGRDYOGKLQTP-KOZPJTNCSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)N[C@@H]2CCCC[C@@H]2C)C1=O ZINC000004931674 132294829 /nfs/dbraw/zinc/29/48/29/132294829.db2.gz DZBJBZRRBNYQLT-DVMYJCGFSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)N[C@H]2CCCC[C@@H]2C)C1=O ZINC000004931679 132294837 /nfs/dbraw/zinc/29/48/37/132294837.db2.gz DZBJBZRRBNYQLT-ZLHNPERRSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)N[C@@H]2CCCC[C@H]2C)C1=O ZINC000004931682 132294833 /nfs/dbraw/zinc/29/48/33/132294833.db2.gz DZBJBZRRBNYQLT-JECRCEAPSA-N 0 0 420.578 5.213 50 0 HKAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)N[C@H]2CCCC[C@H]2C)C1=O ZINC000004931685 132294848 /nfs/dbraw/zinc/29/48/48/132294848.db2.gz DZBJBZRRBNYQLT-KOZPJTNCSA-N 0 0 420.578 5.213 50 0 HKAARN CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(Cl)c1-c1ccccc1 ZINC000004931729 559209798 /nfs/dbraw/zinc/20/97/98/559209798.db2.gz GGWSVUMUFJKUGO-UHFFFAOYSA-N 0 0 420.962 5.060 50 0 HKAARN CN1c2cc(C(=O)NC3CCCCCC3)ccc2S/C(=C/c2ccccc2)C1=O ZINC000004931918 132294942 /nfs/dbraw/zinc/29/49/42/132294942.db2.gz DRFIDRABOQNTDC-PXLXIMEGSA-N 0 0 406.551 5.249 50 0 HKAARN CN1c2cc(C(=O)NC3CCCCCCC3)ccc2S/C(=C/c2ccccc2)C1=O ZINC000004931920 132295002 /nfs/dbraw/zinc/29/50/02/132295002.db2.gz LGUZXBHBZOYPHP-XQNSMLJCSA-N 0 0 420.578 5.639 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2)S3)cc1 ZINC000004931926 132294953 /nfs/dbraw/zinc/29/49/53/132294953.db2.gz VBLGHGBMAMHUBL-OEAKJJBVSA-N 0 0 414.530 5.035 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccccc1)S2 ZINC000004931933 132294958 /nfs/dbraw/zinc/29/49/58/132294958.db2.gz ZWBRUTBRMWCINC-OWLYXAJMSA-N 0 0 406.551 5.105 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccccc1)S2 ZINC000004931936 132294962 /nfs/dbraw/zinc/29/49/62/132294962.db2.gz ZWBRUTBRMWCINC-QOGSAJBPSA-N 0 0 406.551 5.105 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccccc1)S2 ZINC000004931938 132294997 /nfs/dbraw/zinc/29/49/97/132294997.db2.gz 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CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NC3CCCC3)cc21 ZINC000004932041 536305590 /nfs/dbraw/zinc/30/55/90/536305590.db2.gz VLVGWWGVUASXGZ-NDENLUEZSA-N 0 0 412.942 5.122 50 0 HKAARN CC(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000004932048 132295243 /nfs/dbraw/zinc/29/52/43/132295243.db2.gz HDYXNHNOUSLKHM-NDENLUEZSA-N 0 0 414.958 5.226 50 0 HKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000004932068 132295268 /nfs/dbraw/zinc/29/52/68/132295268.db2.gz WCIWTYDBPDVWAL-JTWXGIMTSA-N 0 0 424.541 5.053 50 0 HKAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000004932071 132295263 /nfs/dbraw/zinc/29/52/63/132295263.db2.gz WCIWTYDBPDVWAL-JLFHSUMDSA-N 0 0 424.541 5.053 50 0 HKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000004932074 132295229 /nfs/dbraw/zinc/29/52/29/132295229.db2.gz WCIWTYDBPDVWAL-BSAISZTBSA-N 0 0 424.541 5.053 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000004932107 132295248 /nfs/dbraw/zinc/29/52/48/132295248.db2.gz DUHLZRAYCQEPJA-RBTZDRMISA-N 0 0 424.541 5.244 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000004932108 132295266 /nfs/dbraw/zinc/29/52/66/132295266.db2.gz DUHLZRAYCQEPJA-CJOMPQATSA-N 0 0 424.541 5.244 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000004932110 132295254 /nfs/dbraw/zinc/29/52/54/132295254.db2.gz DUHLZRAYCQEPJA-PXWFHWEYSA-N 0 0 424.541 5.244 50 0 HKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000004932113 132295259 /nfs/dbraw/zinc/29/52/59/132295259.db2.gz DUHLZRAYCQEPJA-CDSNYGQGSA-N 0 0 424.541 5.244 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3N(C)C2=O)c1 ZINC000004932130 132295214 /nfs/dbraw/zinc/29/52/14/132295214.db2.gz OVWXYEGPIABFBH-AKJJSLRDSA-N 0 0 420.578 5.223 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3N(C)C2=O)c1 ZINC000004932134 132295240 /nfs/dbraw/zinc/29/52/40/132295240.db2.gz OVWXYEGPIABFBH-WWNXGUCMSA-N 0 0 420.578 5.223 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3N(C)C2=O)c1 ZINC000004932137 132295244 /nfs/dbraw/zinc/29/52/44/132295244.db2.gz OVWXYEGPIABFBH-AWLIUGMOSA-N 0 0 420.578 5.223 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCc4ccccc4)cc3N(C)C2=O)c1 ZINC000004932141 132295251 /nfs/dbraw/zinc/29/52/51/132295251.db2.gz BFUMHFQTRKLQAF-UCQKPKSFSA-N 0 0 414.530 5.035 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NC4CCCCCC4)cc3N(C)C2=O)c1 ZINC000004932150 132295236 /nfs/dbraw/zinc/29/52/36/132295236.db2.gz AFNAOHVVHRLPPG-HAHDFKILSA-N 0 0 420.578 5.557 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NC4CCC(C)CC4)cc3N(C)C2=O)c1 ZINC000004932170 132295224 /nfs/dbraw/zinc/29/52/24/132295224.db2.gz VQTJKQRTMOYDCQ-UCQKPKSFSA-N 0 0 420.578 5.413 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000004932173 132295260 /nfs/dbraw/zinc/29/52/60/132295260.db2.gz QOEPZFQQJWAIAB-BUMMOKDISA-N 0 0 420.578 5.413 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@H]4CCCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000004932176 132295271 /nfs/dbraw/zinc/29/52/71/132295271.db2.gz QOEPZFQQJWAIAB-XFOSOZNVSA-N 0 0 420.578 5.413 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCC[C@H]4C)cc3N(C)C2=O)c1 ZINC000004932179 132295235 /nfs/dbraw/zinc/29/52/35/132295235.db2.gz QOEPZFQQJWAIAB-SCDBHZAHSA-N 0 0 420.578 5.413 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N[C@H]4CCCC[C@H]4C)cc3N(C)C2=O)c1 ZINC000004932181 132295329 /nfs/dbraw/zinc/29/53/29/132295329.db2.gz QOEPZFQQJWAIAB-MKZBMNGKSA-N 0 0 420.578 5.413 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NC4CCCCC4)cc3N(C)C2=O)c1 ZINC000004932184 132295325 /nfs/dbraw/zinc/29/53/25/132295325.db2.gz XQFRJBBBTKLFFZ-HMAPJEAMSA-N 0 0 406.551 5.167 50 0 HKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCc3ccccc3)cc2N(C)C1=O ZINC000004932187 132295320 /nfs/dbraw/zinc/29/53/20/132295320.db2.gz 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Cc1ccccc1/C=C1\Sc2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2N(C)C1=O ZINC000004932227 132295359 /nfs/dbraw/zinc/29/53/59/132295359.db2.gz HKFSPWHTDYQTIQ-AXYGZTAOSA-N 0 0 420.578 5.413 50 0 HKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NC3CCCCC3)cc2N(C)C1=O ZINC000004932232 132295343 /nfs/dbraw/zinc/29/53/43/132295343.db2.gz YATOHWYHNGHDIE-JCMHNJIXSA-N 0 0 406.551 5.167 50 0 HKAARN CN1c2cc(C(=O)N3CCCCC3)ccc2S/C(=C\c2ccccc2Cl)C1=O ZINC000004932249 132295318 /nfs/dbraw/zinc/29/53/18/132295318.db2.gz WTSHIJKOITVKRH-ZHZULCJRSA-N 0 0 412.942 5.076 50 0 HKAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NC3CCCC3)cc21 ZINC000004932263 536305749 /nfs/dbraw/zinc/30/57/49/536305749.db2.gz PCLMJAKKMXGCNQ-MOSHPQCFSA-N 0 0 412.942 5.122 50 0 HKAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1nc(-c2ccccc2)cs1 ZINC000004932715 559209590 /nfs/dbraw/zinc/20/95/90/559209590.db2.gz HKFHXESNWWUYHP-UHFFFAOYSA-N 0 0 404.491 5.453 50 0 HKAARN Cc1nc(N(Cc2ccccc2)C(=O)CN2CCCCC2)sc1-c1ccccc1 ZINC000004932739 559209588 /nfs/dbraw/zinc/20/95/88/559209588.db2.gz DLOUEZBBMJQMFK-UHFFFAOYSA-N 0 0 405.567 5.138 50 0 HKAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NC1CCCCCC1 ZINC000004932771 132296245 /nfs/dbraw/zinc/29/62/45/132296245.db2.gz HTBNMVOCZXGCBN-JCMHNJIXSA-N 0 0 424.541 5.145 50 0 HKAARN CC1CCC(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)CC1 ZINC000004932795 535263113 /nfs/dbraw/zinc/26/31/13/535263113.db2.gz LWBLLACHLYCPJE-HMAPJEAMSA-N 0 0 424.541 5.000 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000004932813 132296229 /nfs/dbraw/zinc/29/62/29/132296229.db2.gz IVVHNQJKXCJLEC-UCGBDNTHSA-N 0 0 424.541 5.095 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000004932816 132296289 /nfs/dbraw/zinc/29/62/89/132296289.db2.gz IVVHNQJKXCJLEC-RNQLNOKASA-N 0 0 424.541 5.095 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000004932819 132296231 /nfs/dbraw/zinc/29/62/31/132296231.db2.gz IVVHNQJKXCJLEC-VXKHZFKMSA-N 0 0 424.541 5.095 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004932865 132296280 /nfs/dbraw/zinc/29/62/80/132296280.db2.gz NHPWKBHLEZREIZ-LSOASAKTSA-N 0 0 420.578 5.170 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004932868 132296258 /nfs/dbraw/zinc/29/62/58/132296258.db2.gz NHPWKBHLEZREIZ-BJEUTSDRSA-N 0 0 420.578 5.170 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000004932872 132296255 /nfs/dbraw/zinc/29/62/55/132296255.db2.gz NHPWKBHLEZREIZ-YAJBCERESA-N 0 0 420.578 5.170 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000004932874 132296287 /nfs/dbraw/zinc/29/62/87/132296287.db2.gz NHPWKBHLEZREIZ-WEZHHBRYSA-N 0 0 420.578 5.170 50 0 HKAARN O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000004933049 559210896 /nfs/dbraw/zinc/21/08/96/559210896.db2.gz LEDSVTABJBVDEX-UHFFFAOYSA-N 0 0 405.853 6.345 50 0 HKAARN CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004933860 559210994 /nfs/dbraw/zinc/21/09/94/559210994.db2.gz MENMSPRRDBOZSF-RUZDIDTESA-N 0 0 411.480 6.089 50 0 HKAARN CC(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004933865 559210960 /nfs/dbraw/zinc/21/09/60/559210960.db2.gz MENMSPRRDBOZSF-VWLOTQADSA-N 0 0 411.480 6.089 50 0 HKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933910 559210952 /nfs/dbraw/zinc/21/09/52/559210952.db2.gz AQOPCDLFAIPWGT-JOCHJYFZSA-N 0 0 403.844 5.619 50 0 HKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933919 559211008 /nfs/dbraw/zinc/21/10/08/559211008.db2.gz AQOPCDLFAIPWGT-QFIPXVFZSA-N 0 0 403.844 5.619 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc(O)cc1 ZINC000004934631 559209985 /nfs/dbraw/zinc/20/99/85/559209985.db2.gz XCWWWNSXLDTNAO-WUXMJOGZSA-N 0 0 409.272 5.569 50 0 HKAARN Brc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004934989 557614807 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Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000004935365 559210309 /nfs/dbraw/zinc/21/03/09/559210309.db2.gz YORMLQRLFJIBLR-UHFFFAOYSA-N 0 0 404.901 5.238 50 0 HKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000004935379 559210310 /nfs/dbraw/zinc/21/03/10/559210310.db2.gz ABFDDAGRYSYCGY-UHFFFAOYSA-N 0 0 402.473 5.032 50 0 HKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3cccc(F)c3)c2C)c1-c1ccc(F)cc1 ZINC000004935382 559210328 /nfs/dbraw/zinc/21/03/28/559210328.db2.gz MQZGIZUYNIPXRD-UHFFFAOYSA-N 0 0 420.463 5.171 50 0 HKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccccc3F)c2C)c1-c1ccc(F)cc1 ZINC000004935383 559210306 /nfs/dbraw/zinc/21/03/06/559210306.db2.gz PAPBZRMPFARLNT-UHFFFAOYSA-N 0 0 420.463 5.171 50 0 HKAARN Cc1nn2c(nc(C)c(CCC(=O)NC3CCCCCC3)c2C)c1-c1ccc(F)cc1 ZINC000004935389 559210317 /nfs/dbraw/zinc/21/03/17/559210317.db2.gz WIODQEDPBMPVDV-UHFFFAOYSA-N 0 0 422.548 5.232 50 0 HKAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccccc3C)c2C)c1-c1ccc(F)cc1 ZINC000004935394 559210312 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/nfs/dbraw/zinc/21/97/40/559219740.db2.gz CZZGKHLLENZZGP-UHFFFAOYSA-N 0 0 411.436 5.459 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000004970125 559219735 /nfs/dbraw/zinc/21/97/35/559219735.db2.gz ABHZFFIIMLLKPY-UHFFFAOYSA-N 0 0 413.864 5.931 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCO5)cc1C ZINC000004970128 559219780 /nfs/dbraw/zinc/21/97/80/559219780.db2.gz SGMHPSRYMXMBDJ-UHFFFAOYSA-N 0 0 411.436 5.725 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000004970129 559219755 /nfs/dbraw/zinc/21/97/55/559219755.db2.gz PKVLBEVPJLVVCN-UHFFFAOYSA-N 0 0 401.372 5.248 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000004970138 559219745 /nfs/dbraw/zinc/21/97/45/559219745.db2.gz KMPGHYLGLDFYBO-UHFFFAOYSA-N 0 0 409.489 5.875 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970140 559219753 /nfs/dbraw/zinc/21/97/53/559219753.db2.gz XYGIKAYTMCNQMC-UHFFFAOYSA-N 0 0 413.452 5.787 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970141 559219782 /nfs/dbraw/zinc/21/97/82/559219782.db2.gz KNTHNSVBCGEHDZ-UHFFFAOYSA-N 0 0 409.489 5.956 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970142 559219784 /nfs/dbraw/zinc/21/97/84/559219784.db2.gz YNIGJIYCDJFYQJ-UHFFFAOYSA-N 0 0 423.516 6.265 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C ZINC000004970148 559219770 /nfs/dbraw/zinc/21/97/70/559219770.db2.gz LANGNRBUBYUVAX-UHFFFAOYSA-N 0 0 403.407 6.275 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(F)cc(F)cc32)cc1 ZINC000004970150 559219772 /nfs/dbraw/zinc/21/97/72/559219772.db2.gz OFETZQWCIWAGBD-UHFFFAOYSA-N 0 0 409.798 6.311 50 0 HKAARN Fc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000004970160 559219792 /nfs/dbraw/zinc/21/97/92/559219792.db2.gz JDKLHANDNJSMDV-UHFFFAOYSA-N 0 0 401.372 5.248 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970165 559219756 /nfs/dbraw/zinc/21/97/56/559219756.db2.gz XMFNDRWTMKIDRP-UHFFFAOYSA-N 0 0 407.517 6.565 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000004970166 559219776 /nfs/dbraw/zinc/21/97/76/559219776.db2.gz WNUZUEOCEDLFIN-UHFFFAOYSA-N 0 0 413.908 6.601 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000004970167 559219738 /nfs/dbraw/zinc/21/97/38/559219738.db2.gz QGUROFOTAIDSRL-UHFFFAOYSA-N 0 0 413.908 6.601 50 0 HKAARN CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)c(F)cc4c32)cc1 ZINC000004970168 559219766 /nfs/dbraw/zinc/21/97/66/559219766.db2.gz AQHJKTPNVLHBGQ-UHFFFAOYSA-N 0 0 413.471 6.816 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970178 559219787 /nfs/dbraw/zinc/21/97/87/559219787.db2.gz RRBRAZSPJWPROQ-UHFFFAOYSA-N 0 0 408.263 6.687 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(Cl)cccc32)cc1 ZINC000004970179 559219742 /nfs/dbraw/zinc/21/97/42/559219742.db2.gz KIBNALZWLMHAKE-UHFFFAOYSA-N 0 0 408.263 6.687 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)cc1 ZINC000004970184 559219750 /nfs/dbraw/zinc/21/97/50/559219750.db2.gz WFWCJIGXRKIMEK-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4cc(F)c(F)cc4c32)cc1 ZINC000004970187 559219759 /nfs/dbraw/zinc/21/97/59/559219759.db2.gz INFLIRNEHBRARR-UHFFFAOYSA-N 0 0 401.416 5.836 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1 ZINC000004970190 559219778 /nfs/dbraw/zinc/21/97/78/559219778.db2.gz UOQHYNPURJVFSW-UHFFFAOYSA-N 0 0 405.379 5.667 50 0 HKAARN Cc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1Cl ZINC000004970197 559219774 /nfs/dbraw/zinc/21/97/74/559219774.db2.gz CWUHUTJFAUJTOY-UHFFFAOYSA-N 0 0 405.835 6.481 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000004970198 559219761 /nfs/dbraw/zinc/21/97/61/559219761.db2.gz BBOXSMLFYSBFSC-UHFFFAOYSA-N 0 0 413.908 6.601 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000004970201 559219731 /nfs/dbraw/zinc/21/97/31/559219731.db2.gz AIJNAIQVIMFURE-UHFFFAOYSA-N 0 0 401.872 6.650 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970202 559219835 /nfs/dbraw/zinc/21/98/35/559219835.db2.gz DKBICMIWWJRMOE-UHFFFAOYSA-N 0 0 413.908 6.520 50 0 HKAARN Cc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)c1C ZINC000004970208 559219820 /nfs/dbraw/zinc/21/98/20/559219820.db2.gz DHECVPAPMXYGSF-UHFFFAOYSA-N 0 0 401.872 6.650 50 0 HKAARN Cc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)c1C ZINC000004970209 559219819 /nfs/dbraw/zinc/21/98/19/559219819.db2.gz PHXMPYIFFMIWHB-UHFFFAOYSA-N 0 0 403.407 6.275 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1Cl ZINC000004970210 559219839 /nfs/dbraw/zinc/21/98/39/559219839.db2.gz YGLGMAOEHFCYSZ-UHFFFAOYSA-N 0 0 405.835 6.481 50 0 HKAARN Cc1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1cccc(Cl)c1Cl ZINC000004970211 559219840 /nfs/dbraw/zinc/21/98/40/559219840.db2.gz CCNKENYXTSNAQK-UHFFFAOYSA-N 0 0 404.300 6.856 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c3c2cnc2ccccc32)cc1 ZINC000004970213 559219841 /nfs/dbraw/zinc/21/98/41/559219841.db2.gz LZYNRRIURBCTAR-UHFFFAOYSA-N 0 0 408.263 6.687 50 0 HKAARN Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c3c2c1 ZINC000004970222 559219838 /nfs/dbraw/zinc/21/98/38/559219838.db2.gz WPMNHIFZKGBZTE-UHFFFAOYSA-N 0 0 404.300 6.856 50 0 HKAARN Cc1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1ccc(Cl)cc1Cl ZINC000004970223 559219842 /nfs/dbraw/zinc/21/98/42/559219842.db2.gz BYJCKJQGULNEFP-UHFFFAOYSA-N 0 0 404.300 6.856 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc32)cc1C ZINC000004970229 559219845 /nfs/dbraw/zinc/21/98/45/559219845.db2.gz YXBGXBGNRUFAHG-UHFFFAOYSA-N 0 0 415.899 6.958 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc32)cc1C ZINC000004970232 559219833 /nfs/dbraw/zinc/21/98/33/559219833.db2.gz NIMBEGWKGPFKIO-UHFFFAOYSA-N 0 0 401.872 6.650 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970237 559219830 /nfs/dbraw/zinc/21/98/30/559219830.db2.gz ABMZLHGQBQISOX-UHFFFAOYSA-N 0 0 421.544 6.873 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970238 559219832 /nfs/dbraw/zinc/21/98/32/559219832.db2.gz PUJYLBQBLURWID-UHFFFAOYSA-N 0 0 411.480 6.395 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970239 559219824 /nfs/dbraw/zinc/21/98/24/559219824.db2.gz HOJLIZZSYPZZCK-UHFFFAOYSA-N 0 0 407.517 6.565 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000004970243 559219825 /nfs/dbraw/zinc/21/98/25/559219825.db2.gz RQTJBRRIVYWPHA-UHFFFAOYSA-N 0 0 413.908 6.520 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970245 559219846 /nfs/dbraw/zinc/21/98/46/559219846.db2.gz XBXMFUOYDMUSEF-UHFFFAOYSA-N 0 0 407.517 6.483 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970250 559219828 /nfs/dbraw/zinc/21/98/28/559219828.db2.gz DZRADSHSPHMLFF-UHFFFAOYSA-N 0 0 411.936 7.073 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000004970252 559219847 /nfs/dbraw/zinc/21/98/47/559219847.db2.gz UKOIODJRBJTKFS-UHFFFAOYSA-N 0 0 407.517 6.429 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000004970253 559219844 /nfs/dbraw/zinc/21/98/44/559219844.db2.gz SWMJISIXRSJPJR-UHFFFAOYSA-N 0 0 413.908 6.465 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970255 559219822 /nfs/dbraw/zinc/21/98/22/559219822.db2.gz AVUBSRJPXMEAPD-UHFFFAOYSA-N 0 0 401.872 6.596 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970256 559219837 /nfs/dbraw/zinc/21/98/37/559219837.db2.gz GPEIAJXDQWTQMA-UHFFFAOYSA-N 0 0 411.936 7.073 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970258 559219823 /nfs/dbraw/zinc/21/98/23/559219823.db2.gz FKFLTUZWNIWDCH-UHFFFAOYSA-N 0 0 413.908 6.465 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000004970261 559219818 /nfs/dbraw/zinc/21/98/18/559219818.db2.gz WQLSWDJHRPMICP-UHFFFAOYSA-N 0 0 409.489 5.820 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970265 559219827 /nfs/dbraw/zinc/21/98/27/559219827.db2.gz OTXFWAAWQZTSGV-UHFFFAOYSA-N 0 0 401.872 6.596 50 0 HKAARN CCOc1ccc2ncc3c(-c4ccc(CC)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970267 559219821 /nfs/dbraw/zinc/21/98/21/559219821.db2.gz JJAZPLSBFFVIQL-UHFFFAOYSA-N 0 0 407.517 6.510 50 0 HKAARN CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970270 559219831 /nfs/dbraw/zinc/21/98/31/559219831.db2.gz QEKIMPIZGLZQHP-UHFFFAOYSA-N 0 0 415.899 6.904 50 0 HKAARN CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970278 559219834 /nfs/dbraw/zinc/21/98/34/559219834.db2.gz MGDYDSIKWPIZPJ-UHFFFAOYSA-N 0 0 413.452 5.787 50 0 HKAARN CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970279 559219829 /nfs/dbraw/zinc/21/98/29/559219829.db2.gz SBUIASSHZLBSAS-UHFFFAOYSA-N 0 0 409.489 5.956 50 0 HKAARN CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970281 559219884 /nfs/dbraw/zinc/21/98/84/559219884.db2.gz UNFVMFJAOSNVIO-UHFFFAOYSA-N 0 0 423.516 6.265 50 0 HKAARN CCc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004970283 559219902 /nfs/dbraw/zinc/21/99/02/559219902.db2.gz FEXUDIMKEPZEGY-UHFFFAOYSA-N 0 0 407.517 6.429 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc32)c1 ZINC000004970285 559219880 /nfs/dbraw/zinc/21/98/80/559219880.db2.gz OLNNKQODUWNSJF-UHFFFAOYSA-N 0 0 415.443 6.144 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2c(F)cc(F)cc32)c1 ZINC000004970286 559219871 /nfs/dbraw/zinc/21/98/71/559219871.db2.gz FJPLPDZRGWLLHS-UHFFFAOYSA-N 0 0 405.379 5.667 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc32)c1 ZINC000004970287 559219887 /nfs/dbraw/zinc/21/98/87/559219887.db2.gz PUUKMLXQDJXDJY-UHFFFAOYSA-N 0 0 409.489 5.875 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc32)c1 ZINC000004970289 559219898 /nfs/dbraw/zinc/21/98/98/559219898.db2.gz QXKQRAAXAHRYDU-UHFFFAOYSA-N 0 0 415.880 5.911 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc32)c1 ZINC000004970298 559219885 /nfs/dbraw/zinc/21/98/85/559219885.db2.gz LTGQJWZKBUVTTL-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc32)cc1OC ZINC000004970303 559219905 /nfs/dbraw/zinc/21/99/05/559219905.db2.gz IQZJPKYRZXXRCN-UHFFFAOYSA-N 0 0 409.489 5.875 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc32)cc1OC ZINC000004970304 559219873 /nfs/dbraw/zinc/21/98/73/559219873.db2.gz ZWXIREMSGPXVFR-UHFFFAOYSA-N 0 0 413.452 5.705 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(C)cc32)cc1OC ZINC000004970305 559219913 /nfs/dbraw/zinc/21/99/13/559219913.db2.gz PSBQZZHLBQVFDW-UHFFFAOYSA-N 0 0 423.516 6.183 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccccc32)cc1OC ZINC000004970306 559219907 /nfs/dbraw/zinc/21/99/07/559219907.db2.gz LELGHSMEGWSYSB-UHFFFAOYSA-N 0 0 409.489 5.875 50 0 HKAARN 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CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970340 559219878 /nfs/dbraw/zinc/21/98/78/559219878.db2.gz JJHLGWXGIABNGO-UHFFFAOYSA-N 0 0 401.872 6.596 50 0 HKAARN Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4c(F)cc(F)cc4c32)cc1 ZINC000004970341 559219895 /nfs/dbraw/zinc/21/98/95/559219895.db2.gz LMXRSQUMJOHGTP-UHFFFAOYSA-N 0 0 409.798 6.311 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2c1 ZINC000004970342 559219916 /nfs/dbraw/zinc/21/99/16/559219916.db2.gz RZCNLMKEPJMUNN-UHFFFAOYSA-N 0 0 414.306 6.312 50 0 HKAARN Brc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc32)cc1 ZINC000004970343 559219893 /nfs/dbraw/zinc/21/98/93/559219893.db2.gz FCNYETAIWWCDOB-UHFFFAOYSA-N 0 0 400.279 6.003 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccccc4c32)cc1 ZINC000004970344 559220014 /nfs/dbraw/zinc/22/00/14/559220014.db2.gz IGMCCWJFPZCUOE-UHFFFAOYSA-N 0 0 414.306 6.312 50 0 HKAARN CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970345 559219996 /nfs/dbraw/zinc/21/99/96/559219996.db2.gz 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ZINC000004970358 559220001 /nfs/dbraw/zinc/22/00/01/559220001.db2.gz BRHWBQMQHDLPHP-UHFFFAOYSA-N 0 0 400.279 6.003 50 0 HKAARN Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)cc1 ZINC000004970359 559220012 /nfs/dbraw/zinc/22/00/12/559220012.db2.gz RHTORIDZXCKSTB-UHFFFAOYSA-N 0 0 414.306 6.312 50 0 HKAARN Fc1cccc(Cl)c1Cn1cccc1C1=N[C@H](CSCc2ccccc2)CO1 ZINC000004970764 559220353 /nfs/dbraw/zinc/22/03/53/559220353.db2.gz VAOKTRNXMSHKPH-KRWDZBQOSA-N 0 0 414.933 5.408 50 0 HKAARN Fc1cccc(Cl)c1Cn1cccc1C1=N[C@@H](CSCc2ccccc2)CO1 ZINC000004970765 559220334 /nfs/dbraw/zinc/22/03/34/559220334.db2.gz VAOKTRNXMSHKPH-QGZVFWFLSA-N 0 0 414.933 5.408 50 0 HKAARN Cc1cccc(C)c1CSC[C@@H]1COC(c2cccn2Cc2ccccc2F)=N1 ZINC000004970775 559220341 /nfs/dbraw/zinc/22/03/41/559220341.db2.gz ZUELEFHJNYIZET-FQEVSTJZSA-N 0 0 408.542 5.371 50 0 HKAARN Cc1cccc(C)c1CSC[C@H]1COC(c2cccn2Cc2ccccc2F)=N1 ZINC000004970776 559220356 /nfs/dbraw/zinc/22/03/56/559220356.db2.gz ZUELEFHJNYIZET-HXUWFJFHSA-N 0 0 408.542 5.371 50 0 HKAARN Cc1cccc(C)c1CSC[C@@H]1COC(c2cccn2Cc2ccc(F)cc2)=N1 ZINC000004970783 559220355 /nfs/dbraw/zinc/22/03/55/559220355.db2.gz LHLMEBIAXCRMBP-NRFANRHFSA-N 0 0 408.542 5.371 50 0 HKAARN Cc1cccc(C)c1CSC[C@H]1COC(c2cccn2Cc2ccc(F)cc2)=N1 ZINC000004970784 559220337 /nfs/dbraw/zinc/22/03/37/559220337.db2.gz LHLMEBIAXCRMBP-OAQYLSRUSA-N 0 0 408.542 5.371 50 0 HKAARN CSc1ccc(Cn2cccc2C2=N[C@H](CSCc3ccc(C)cc3)CO2)cc1 ZINC000004970889 559220348 /nfs/dbraw/zinc/22/03/48/559220348.db2.gz PVCKNWPJZUWTPA-NRFANRHFSA-N 0 0 422.619 5.646 50 0 HKAARN CSc1ccc(Cn2cccc2C2=N[C@@H](CSCc3ccc(C)cc3)CO2)cc1 ZINC000004970892 559220329 /nfs/dbraw/zinc/22/03/29/559220329.db2.gz PVCKNWPJZUWTPA-OAQYLSRUSA-N 0 0 422.619 5.646 50 0 HKAARN Cc1ccc(CSC[C@@H]2COC(c3cccn3Cc3ccccc3Cl)=N2)cc1 ZINC000004970894 559220354 /nfs/dbraw/zinc/22/03/54/559220354.db2.gz RXXWXYIVHMQWFC-FQEVSTJZSA-N 0 0 410.970 5.577 50 0 HKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccccc3Cl)=N2)cc1 ZINC000004970896 559220339 /nfs/dbraw/zinc/22/03/39/559220339.db2.gz 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/nfs/dbraw/zinc/22/03/83/559220383.db2.gz MRLNZMMHPYQDAY-HXUWFJFHSA-N 0 0 410.970 5.577 50 0 HKAARN CSc1ccc(Cn2cccc2C2=N[C@H](CSCc3cccc(C)c3)CO2)cc1 ZINC000004970927 559220411 /nfs/dbraw/zinc/22/04/11/559220411.db2.gz UTSXKTUZAGTALZ-NRFANRHFSA-N 0 0 422.619 5.646 50 0 HKAARN CSc1ccc(Cn2cccc2C2=N[C@@H](CSCc3cccc(C)c3)CO2)cc1 ZINC000004970929 559220410 /nfs/dbraw/zinc/22/04/10/559220410.db2.gz UTSXKTUZAGTALZ-OAQYLSRUSA-N 0 0 422.619 5.646 50 0 HKAARN Cc1cccc(CSC[C@@H]2COC(c3cccn3Cc3c(C)cc(C)cc3C)=N2)c1 ZINC000004970932 559220374 /nfs/dbraw/zinc/22/03/74/559220374.db2.gz PIFIRUSBZQOQOR-QHCPKHFHSA-N 0 0 418.606 5.849 50 0 HKAARN Cc1cccc(CSC[C@H]2COC(c3cccn3Cc3c(C)cc(C)cc3C)=N2)c1 ZINC000004970934 559220400 /nfs/dbraw/zinc/22/04/00/559220400.db2.gz PIFIRUSBZQOQOR-HSZRJFAPSA-N 0 0 418.606 5.849 50 0 HKAARN Cc1cc(C)c(Cn2cccc2C2=N[C@H](CSCc3ccc(F)cc3)CO2)c(C)c1 ZINC000004970936 559220390 /nfs/dbraw/zinc/22/03/90/559220390.db2.gz NTYBIRXGNCTQEM-QFIPXVFZSA-N 0 0 422.569 5.680 50 0 HKAARN Cc1cc(C)c(Cn2cccc2C2=N[C@@H](CSCc3ccc(F)cc3)CO2)c(C)c1 ZINC000004970939 559220378 /nfs/dbraw/zinc/22/03/78/559220378.db2.gz NTYBIRXGNCTQEM-JOCHJYFZSA-N 0 0 422.569 5.680 50 0 HKAARN Cc1ccc(CSC[C@@H]2COC(c3cccn3Cc3c(C)cc(C)cc3C)=N2)cc1 ZINC000004970952 559220402 /nfs/dbraw/zinc/22/04/02/559220402.db2.gz CKOVTIJRAUCSDU-QHCPKHFHSA-N 0 0 418.606 5.849 50 0 HKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3c(C)cc(C)cc3C)=N2)cc1 ZINC000004970955 559220360 /nfs/dbraw/zinc/22/03/60/559220360.db2.gz CKOVTIJRAUCSDU-HSZRJFAPSA-N 0 0 418.606 5.849 50 0 HKAARN Fc1ccc(CSC[C@@H]2COC(c3cccn3Cc3ccccc3Cl)=N2)cc1 ZINC000004970958 559220362 /nfs/dbraw/zinc/22/03/62/559220362.db2.gz FMYSSFJMIFYKRE-IBGZPJMESA-N 0 0 414.933 5.408 50 0 HKAARN Fc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccccc3Cl)=N2)cc1 ZINC000004970960 559220376 /nfs/dbraw/zinc/22/03/76/559220376.db2.gz FMYSSFJMIFYKRE-LJQANCHMSA-N 0 0 414.933 5.408 50 0 HKAARN Cc1cc(C)c(Cn2cccc2C2=N[C@H](CSCc3ccccc3C)CO2)c(C)c1 ZINC000004970962 559220412 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Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000004972111 559221227 /nfs/dbraw/zinc/22/12/27/559221227.db2.gz UXIOZRJVKHSVCY-UHFFFAOYSA-N 0 0 403.865 5.983 50 0 HKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000004972112 559221176 /nfs/dbraw/zinc/22/11/76/559221176.db2.gz VFNZPGHRXAZWEP-UHFFFAOYSA-N 0 0 407.828 5.813 50 0 HKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004973306 557618694 /nfs/dbraw/zinc/61/86/94/557618694.db2.gz WUCXRZHXHYLITP-UHFFFAOYSA-N 0 0 401.466 5.448 50 0 HKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000004973337 557618671 /nfs/dbraw/zinc/61/86/71/557618671.db2.gz ONPCCGILGJJVDQ-UHFFFAOYSA-N 0 0 417.465 5.039 50 0 HKAARN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 ZINC000004973348 557618818 /nfs/dbraw/zinc/61/88/18/557618818.db2.gz QDNFEEWSGPWORS-OAHLLOKOSA-N 0 0 417.465 5.328 50 0 HKAARN CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 ZINC000004973349 557618857 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CCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000004978091 559222238 /nfs/dbraw/zinc/22/22/38/559222238.db2.gz COWIOSZYJXNPFV-UHFFFAOYSA-N 0 0 416.537 5.157 50 0 HKAARN CC(C)Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1 ZINC000004978149 557619806 /nfs/dbraw/zinc/61/98/06/557619806.db2.gz QWGBHEZUYQNAOJ-UHFFFAOYSA-N 0 0 403.349 5.051 50 0 HKAARN CCOc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(Cl)c1O ZINC000004978458 557619953 /nfs/dbraw/zinc/61/99/53/557619953.db2.gz BRQMRJLNDOODIC-UHFFFAOYSA-N 0 0 416.908 6.587 50 0 HKAARN COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c(Cl)cc1O ZINC000004978572 557619894 /nfs/dbraw/zinc/61/98/94/557619894.db2.gz HKZYZUVWLQZMKS-UHFFFAOYSA-N 0 0 402.881 6.197 50 0 HKAARN CCCCC(=O)N(c1nc(-c2ccc(OCC)cc2)c(C)s1)c1ccccc1F ZINC000004978793 557619935 /nfs/dbraw/zinc/61/99/35/557619935.db2.gz PWPBVMPKHPJVKP-UHFFFAOYSA-N 0 0 412.530 6.511 50 0 HKAARN CCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CCC)s1)c1ccccc1OC ZINC000004978801 557619860 /nfs/dbraw/zinc/61/98/60/557619860.db2.gz 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CCCc1sc(N(C(=O)CC)c2ccc3ccccc3c2)nc1-c1ccccc1 ZINC000004985802 557620825 /nfs/dbraw/zinc/62/08/25/557620825.db2.gz CMDSSXUHNKSVIH-UHFFFAOYSA-N 0 0 400.547 6.991 50 0 HKAARN Fc1cccc(Cl)c1CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000004985959 559223988 /nfs/dbraw/zinc/22/39/88/559223988.db2.gz ICNCXTGBOOYRFS-UHFFFAOYSA-N 0 0 400.866 5.066 50 0 HKAARN COc1cc(OC)c(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c(OC)c1 ZINC000004986254 557620907 /nfs/dbraw/zinc/62/09/07/557620907.db2.gz RKQREROUXSZCOQ-UHFFFAOYSA-N 0 0 412.489 5.855 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccccc3F)o2)cc1 ZINC000004987622 559224136 /nfs/dbraw/zinc/22/41/36/559224136.db2.gz JPLDOZNYQGWHDQ-OAHLLOKOSA-N 0 0 413.518 5.044 50 0 HKAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccccc3F)o2)cc1 ZINC000004987623 559224139 /nfs/dbraw/zinc/22/41/39/559224139.db2.gz JPLDOZNYQGWHDQ-HNNXBMFYSA-N 0 0 413.518 5.044 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 ZINC000004988517 557621818 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/nfs/dbraw/zinc/22/72/16/559227216.db2.gz HTLYGBOPRSEBNI-UHFFFAOYSA-N 0 0 403.551 5.189 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)NCCc1ccccc1 ZINC000005006161 559227214 /nfs/dbraw/zinc/22/72/14/559227214.db2.gz FJGDPGUKLJBPMN-UHFFFAOYSA-N 0 0 417.578 5.231 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000005006176 559227205 /nfs/dbraw/zinc/22/72/05/559227205.db2.gz FLAGUASKMFWYBB-UHFFFAOYSA-N 0 0 407.514 5.650 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1 ZINC000005006178 559227225 /nfs/dbraw/zinc/22/72/25/559227225.db2.gz CYHHMCLBZDVITG-UHFFFAOYSA-N 0 0 407.514 5.650 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)NCc1ccccc1 ZINC000005006189 559227218 /nfs/dbraw/zinc/22/72/18/559227218.db2.gz MGHKKUPBOMUJGF-UHFFFAOYSA-N 0 0 417.578 5.497 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000005006195 559227215 /nfs/dbraw/zinc/22/72/15/559227215.db2.gz KACYPXWGMWQATM-UHFFFAOYSA-N 0 0 421.541 5.959 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1 ZINC000005006198 559227199 /nfs/dbraw/zinc/22/71/99/559227199.db2.gz RNJKYLZSXMQKOO-UHFFFAOYSA-N 0 0 421.541 5.959 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(C(C)C)cc4)cc23)c1 ZINC000005007099 559227520 /nfs/dbraw/zinc/22/75/20/559227520.db2.gz NGPHOIIFAVLGNU-UHFFFAOYSA-N 0 0 405.523 5.686 50 0 HKAARN CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccccc1OC ZINC000005007178 557624753 /nfs/dbraw/zinc/62/47/53/557624753.db2.gz NRKXKWOYAIZDRE-UHFFFAOYSA-N 0 0 419.521 5.068 50 0 biogenic HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@@H]4CCCc5ccccc54)cc23)c1 ZINC000005007243 559227599 /nfs/dbraw/zinc/22/75/99/559227599.db2.gz GAGOSHYBTPCHHF-HXUWFJFHSA-N 0 0 417.534 5.118 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@H]4CCCc5ccccc54)cc23)c1 ZINC000005007247 559227646 /nfs/dbraw/zinc/22/76/46/559227646.db2.gz GAGOSHYBTPCHHF-FQEVSTJZSA-N 0 0 417.534 5.118 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@@H](C)CCc4ccccc4)cc23)c1 ZINC000005007257 559227638 /nfs/dbraw/zinc/22/76/38/559227638.db2.gz DCNXGOMDANWGIT-INIZCTEOSA-N 0 0 419.550 5.062 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@H](C)CCc4ccccc4)cc23)c1 ZINC000005007261 559227654 /nfs/dbraw/zinc/22/76/54/559227654.db2.gz DCNXGOMDANWGIT-MRXNPFEDSA-N 0 0 419.550 5.062 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccc(SC)c4)cc23)c1 ZINC000005007264 559227597 /nfs/dbraw/zinc/22/75/97/559227597.db2.gz AYGVHUQYSHFWGJ-UHFFFAOYSA-N 0 0 409.536 5.285 50 0 HKAARN CCc1cccc(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)c1 ZINC000005007441 559227630 /nfs/dbraw/zinc/22/76/30/559227630.db2.gz CVESRCLWIIILOM-UHFFFAOYSA-N 0 0 421.522 5.134 50 0 HKAARN CCc1ccccc1NC(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000005007464 559227611 /nfs/dbraw/zinc/22/76/11/559227611.db2.gz FCVKRGJOANVSQL-UHFFFAOYSA-N 0 0 421.522 5.134 50 0 HKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1sc2ccccc2c1Cl ZINC000005007516 557624807 /nfs/dbraw/zinc/62/48/07/557624807.db2.gz PFLHYLJDGFLSKH-UHFFFAOYSA-N 0 0 405.866 6.010 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1sc2ccccc2c1Cl ZINC000005007517 557624743 /nfs/dbraw/zinc/62/47/43/557624743.db2.gz WOLVSGHYOZEMDB-UHFFFAOYSA-N 0 0 406.894 6.059 50 0 HKAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1sc2ccccc2c1Cl ZINC000005007519 132298217 /nfs/dbraw/zinc/29/82/17/132298217.db2.gz WIEMBUZTLBQJEO-UHFFFAOYSA-N 0 0 407.322 5.297 50 0 HKAARN COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000005008326 557624964 /nfs/dbraw/zinc/62/49/64/557624964.db2.gz JIIZECMMTCDYNB-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)c1ccco1 ZINC000005008327 557624941 /nfs/dbraw/zinc/62/49/41/557624941.db2.gz WVLQSHFWOCKOAR-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccco1 ZINC000005008328 557624936 /nfs/dbraw/zinc/62/49/36/557624936.db2.gz UQVQOTAWMOKHHQ-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1 ZINC000005008500 559226895 /nfs/dbraw/zinc/22/68/95/559226895.db2.gz DNASLVCJAORYMZ-UHFFFAOYSA-N 0 0 400.931 5.046 50 0 HKAARN CC(C)(C)C(=O)[C@@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@]1(O)C(C)(C)C ZINC000005008616 557624946 /nfs/dbraw/zinc/62/49/46/557624946.db2.gz KJHHFKQOGHKESM-KEKPKEOLSA-N 0 0 404.594 6.440 50 0 HKAARN CC(C)(C)C(=O)[C@@H]1[C@@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)C ZINC000005008617 557624933 /nfs/dbraw/zinc/62/49/33/557624933.db2.gz KJHHFKQOGHKESM-QPVYNBJUSA-N 0 0 404.594 6.440 50 0 HKAARN CC(C)(C)C(=O)[C@@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)C ZINC000005008618 557624951 /nfs/dbraw/zinc/62/49/51/557624951.db2.gz KJHHFKQOGHKESM-UIUQJESISA-N 0 0 404.594 6.440 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000005008626 132298302 /nfs/dbraw/zinc/29/83/02/132298302.db2.gz BXEPNIUQMMKQFV-UHFFFAOYSA-N 0 0 419.525 5.073 50 0 HKAARN Cc1ccc(NC(=O)/C(=C\c2c[nH]c3ccccc23)NC(=O)c2ccccc2)c(C)c1 ZINC000005008713 557624938 /nfs/dbraw/zinc/62/49/38/557624938.db2.gz KUYIYCWJCVJISA-BUVRLJJBSA-N 0 0 409.489 5.194 50 0 HKAARN CCCOc1ccc(Nc2c(C(=O)OCC)cnc3c2cccc3C(F)(F)F)cc1 ZINC000005008928 559227524 /nfs/dbraw/zinc/22/75/24/559227524.db2.gz YNBXARGUGIZTLR-UHFFFAOYSA-N 0 0 418.415 5.963 50 0 HKAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(N2CCC(C)CC2)cc1 ZINC000005009319 559227722 /nfs/dbraw/zinc/22/77/22/559227722.db2.gz JQBPOJKRSDEHKH-UHFFFAOYSA-N 0 0 423.944 6.045 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)Nc2cccc(C)c2)cc1 ZINC000005009891 559227867 /nfs/dbraw/zinc/22/78/67/559227867.db2.gz HAGVKBVXXGMRGH-JCMHNJIXSA-N 0 0 404.897 5.366 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000005012046 559228037 /nfs/dbraw/zinc/22/80/37/559228037.db2.gz JZXJWKPIPVJMKW-HAHDFKILSA-N 0 0 418.924 5.675 50 0 HKAARN O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000005012188 559228041 /nfs/dbraw/zinc/22/80/41/559228041.db2.gz DWHUEIHVXBBLCT-UHFFFAOYSA-N 0 0 410.301 5.230 50 0 HKAARN Cc1ccccc1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000005012194 559228057 /nfs/dbraw/zinc/22/80/57/559228057.db2.gz LCPYMLOYQUXAIV-UHFFFAOYSA-N 0 0 406.338 5.400 50 0 HKAARN Cc1cccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c1 ZINC000005012195 559228040 /nfs/dbraw/zinc/22/80/40/559228040.db2.gz BJVJSEYVBPTYBI-UHFFFAOYSA-N 0 0 406.338 5.400 50 0 HKAARN O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000005012196 559228035 /nfs/dbraw/zinc/22/80/35/559228035.db2.gz GTXGSYKSGBFJQP-UHFFFAOYSA-N 0 0 410.301 5.230 50 0 HKAARN Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000005012418 559228033 /nfs/dbraw/zinc/22/80/33/559228033.db2.gz CLEHKHVAMBNOSA-UHFFFAOYSA-N 0 0 403.732 6.070 50 0 HKAARN CCCCN1c2ccccc2C(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1=O ZINC000005013414 557625575 /nfs/dbraw/zinc/62/55/75/557625575.db2.gz SMEIUJISWVBHDJ-UHFFFAOYSA-N 0 0 419.528 6.130 50 0 HKAARN CCOc1cc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)ccc1OC(=O)CC ZINC000005013507 557625519 /nfs/dbraw/zinc/62/55/19/557625519.db2.gz ZPELOCPIPNNYPK-JLHYYAGUSA-N 0 0 419.477 5.435 50 0 HKAARN COc1cccc2ccc(/C=C/c3cc(Br)cc(OC)c3OC)nc21 ZINC000005013534 557625571 /nfs/dbraw/zinc/62/55/71/557625571.db2.gz OWKICNOHUUSVJV-CSKARUKUSA-N 0 0 400.272 5.194 50 0 HKAARN Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc32)c2cc(F)ccc2NC1=O ZINC000005013559 557625504 /nfs/dbraw/zinc/62/55/04/557625504.db2.gz NHEKPCKXOVIYBI-UHFFFAOYSA-N 0 0 409.464 5.692 50 0 HKAARN COc1cccc2ccc(/C=C/c3cc(Br)c(OC)c(OC)c3)nc21 ZINC000005013587 557625490 /nfs/dbraw/zinc/62/54/90/557625490.db2.gz SLSWSJIHYJNQFT-VQHVLOKHSA-N 0 0 400.272 5.194 50 0 HKAARN Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc32)c2ccccc2N(C)C1=O ZINC000005013593 557625562 /nfs/dbraw/zinc/62/55/62/557625562.db2.gz CQYJEOOMBFJVOR-UHFFFAOYSA-N 0 0 405.501 5.577 50 0 HKAARN CCC(=O)Oc1cccc2ccc(/C=C/c3cc(OC)ccc3Br)nc21 ZINC000005013628 557625585 /nfs/dbraw/zinc/62/55/85/557625585.db2.gz PIJDCYRJXWTJII-CSKARUKUSA-N 0 0 412.283 5.492 50 0 HKAARN Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc32)c2cc(C)ccc2N(C)C1=O ZINC000005013629 557625482 /nfs/dbraw/zinc/62/54/82/557625482.db2.gz FRZZDIHACSDUHC-UHFFFAOYSA-N 0 0 419.528 5.885 50 0 HKAARN Cc1c2c(ccc1Cl)C(c1c[nH]c3ccccc31)(c1c[nH]c3ccccc31)C(=O)N2 ZINC000005013656 557625581 /nfs/dbraw/zinc/62/55/81/557625581.db2.gz ZHCARGIPGYCFOH-UHFFFAOYSA-N 0 0 411.892 5.898 50 0 HKAARN CCC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OC(=O)CC)c2n1 ZINC000005013664 557625468 /nfs/dbraw/zinc/62/54/68/557625468.db2.gz PNFQFRLAZOZTCA-FMIVXFBMSA-N 0 0 409.869 5.689 50 0 HKAARN CCc1cccc2c(C3(c4c[nH]c5c4cccc5CC)C(=O)Nc4ccccc43)c[nH]c21 ZINC000005013687 557625558 /nfs/dbraw/zinc/62/55/58/557625558.db2.gz GUNYDCFYQQRQMQ-UHFFFAOYSA-N 0 0 419.528 6.061 50 0 HKAARN CCCN1c2ccccc2C(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1=O ZINC000005013707 557625568 /nfs/dbraw/zinc/62/55/68/557625568.db2.gz WZZKQWZISRLISK-UHFFFAOYSA-N 0 0 405.501 5.740 50 0 HKAARN Cc1ccccc1-n1c(/C=C/c2ccco2)nc2ccc(Br)cc2c1=O ZINC000005013944 557625544 /nfs/dbraw/zinc/62/55/44/557625544.db2.gz HKPCPHDNLGYEMB-PKNBQFBNSA-N 0 0 407.267 5.220 50 0 HKAARN CCCCn1c(=O)c2ccccc2nc1SCc1cc(Cl)cc2c1OCOC2 ZINC000005014052 560623483 /nfs/dbraw/zinc/62/34/83/560623483.db2.gz CCLHEEOSKJQUFA-UHFFFAOYSA-N 0 0 416.930 5.009 50 0 HKAARN Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000005014130 557625888 /nfs/dbraw/zinc/62/58/88/557625888.db2.gz CJPYHHDMKBYLEG-QHCPKHFHSA-N 0 0 403.526 5.360 50 0 HKAARN Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000005014131 557625837 /nfs/dbraw/zinc/62/58/37/557625837.db2.gz CJPYHHDMKBYLEG-HSZRJFAPSA-N 0 0 403.526 5.360 50 0 HKAARN COc1cccc(-n2c(/C=C/c3cccc4ccccc34)nc3ccccc3c2=O)c1 ZINC000005014143 557625777 /nfs/dbraw/zinc/62/57/77/557625777.db2.gz OOBRMVIMQUIOJV-WUKNDPDISA-N 0 0 404.469 5.718 50 0 HKAARN CCCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2ccccc2c1=O ZINC000005014269 559228301 /nfs/dbraw/zinc/22/83/01/559228301.db2.gz FCPGILDEKOWCEC-UHFFFAOYSA-N 0 0 423.582 5.052 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000005015849 557626119 /nfs/dbraw/zinc/62/61/19/557626119.db2.gz KROQENRMQDCFPA-UHFFFAOYSA-N 0 0 405.237 5.100 50 0 HKAARN COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)c1cccs1 ZINC000005015864 557626083 /nfs/dbraw/zinc/62/60/83/557626083.db2.gz UFJOMOZDSLOCDD-UHFFFAOYSA-N 0 0 400.887 5.223 50 0 HKAARN Cc1nnc2sc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c(C)c3)nn12 ZINC000005016011 557626122 /nfs/dbraw/zinc/62/61/22/557626122.db2.gz FWCOAJBIRMFPKV-UHFFFAOYSA-N 0 0 421.570 5.015 50 0 HKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1cccs1 ZINC000005016760 557626293 /nfs/dbraw/zinc/62/62/93/557626293.db2.gz FGYCAUATKGROJM-UHFFFAOYSA-N 0 0 402.850 5.720 50 0 HKAARN CCC1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005016880 559228524 /nfs/dbraw/zinc/22/85/24/559228524.db2.gz UXJOQBCDHQGGNY-DLQTWLKSSA-N 0 0 410.945 6.189 50 0 HKAARN CCC1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005016883 559228514 /nfs/dbraw/zinc/22/85/14/559228514.db2.gz UXJOQBCDHQGGNY-BFDGSKQISA-N 0 0 410.945 6.189 50 0 HKAARN CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005016892 559228528 /nfs/dbraw/zinc/22/85/28/559228528.db2.gz QOJPIQYNVLYOHE-DXJIIWSXSA-N 0 0 410.945 6.189 50 0 HKAARN CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005016896 559228534 /nfs/dbraw/zinc/22/85/34/559228534.db2.gz QOJPIQYNVLYOHE-OOEWLZKVSA-N 0 0 410.945 6.189 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000005016990 559228529 /nfs/dbraw/zinc/22/85/29/559228529.db2.gz DJXGCIDACJFQKY-LADGPHEKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000005016994 559228533 /nfs/dbraw/zinc/22/85/33/559228533.db2.gz DJXGCIDACJFQKY-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000005016996 559228531 /nfs/dbraw/zinc/22/85/31/559228531.db2.gz BBTLUSKMKIQYHQ-SFHVURJKSA-N 0 0 403.910 5.209 50 0 HKAARN Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 ZINC000005016999 559228509 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O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000005035410 559233193 /nfs/dbraw/zinc/23/31/93/559233193.db2.gz NCAXKXMQJYQUHA-UHFFFAOYSA-N 0 0 410.351 5.355 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000005035414 559233165 /nfs/dbraw/zinc/23/31/65/559233165.db2.gz GNRIUPKMJKTOHM-HNNXBMFYSA-N 0 0 418.424 5.230 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000005035418 559233211 /nfs/dbraw/zinc/23/32/11/559233211.db2.gz GNRIUPKMJKTOHM-OAHLLOKOSA-N 0 0 418.424 5.230 50 0 HKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000005035425 559233176 /nfs/dbraw/zinc/23/31/76/559233176.db2.gz JPEIFYFTEAYXDS-UHFFFAOYSA-N 0 0 418.424 5.014 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000005035428 559233183 /nfs/dbraw/zinc/23/31/83/559233183.db2.gz LVDHNELTWZEBIV-UHFFFAOYSA-N 0 0 406.388 5.145 50 0 HKAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)c1 ZINC000005035430 559233236 /nfs/dbraw/zinc/23/32/36/559233236.db2.gz 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559233167 /nfs/dbraw/zinc/23/31/67/559233167.db2.gz XOBYDGHJMCQNIY-UHFFFAOYSA-N 0 0 404.397 5.085 50 0 HKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000005035458 559233197 /nfs/dbraw/zinc/23/31/97/559233197.db2.gz KPGZOEMKXIOVBO-UHFFFAOYSA-N 0 0 404.397 5.085 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035460 559233207 /nfs/dbraw/zinc/23/32/07/559233207.db2.gz BMJSUKRBTFMVIV-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000005035461 559233234 /nfs/dbraw/zinc/23/32/34/559233234.db2.gz QHRGZRFVHNLBER-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000005035466 559233169 /nfs/dbraw/zinc/23/31/69/559233169.db2.gz AJOAQVLNVYDTHP-UHFFFAOYSA-N 0 0 410.351 5.355 50 0 HKAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000005035467 559233215 /nfs/dbraw/zinc/23/32/15/559233215.db2.gz MIPIRPFWSOSGBR-UHFFFAOYSA-N 0 0 410.351 5.355 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035469 559233223 /nfs/dbraw/zinc/23/32/23/559233223.db2.gz UBXXLHDNZJPBQL-HNNXBMFYSA-N 0 0 418.424 5.230 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035470 559233238 /nfs/dbraw/zinc/23/32/38/559233238.db2.gz UBXXLHDNZJPBQL-OAHLLOKOSA-N 0 0 418.424 5.230 50 0 HKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000005035472 559233213 /nfs/dbraw/zinc/23/32/13/559233213.db2.gz OWZTXLUXUGPXDV-UHFFFAOYSA-N 0 0 418.424 5.014 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035474 559233173 /nfs/dbraw/zinc/23/31/73/559233173.db2.gz FANAKCUBZUFQNY-UHFFFAOYSA-N 0 0 406.388 5.145 50 0 HKAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)c1 ZINC000005035475 559233221 /nfs/dbraw/zinc/23/32/21/559233221.db2.gz FQWOUWCUDFBSMM-UHFFFAOYSA-N 0 0 402.425 5.314 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1)c1cc2ccccc2o1 ZINC000005035477 559233186 /nfs/dbraw/zinc/23/31/86/559233186.db2.gz SSYULCGLNCOCIO-UHFFFAOYSA-N 0 0 414.392 5.823 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035478 559233226 /nfs/dbraw/zinc/23/32/26/559233226.db2.gz HDUPHLMWDSKFRS-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)c1 ZINC000005035479 559233204 /nfs/dbraw/zinc/23/32/04/559233204.db2.gz LUBNLZPCWLGSRQ-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000005035480 559233231 /nfs/dbraw/zinc/23/32/31/559233231.db2.gz QMXMKIVSDSXKAU-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1cc(C)cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000005035493 559233229 /nfs/dbraw/zinc/23/32/29/559233229.db2.gz SFXVMBZPJIOZAF-UHFFFAOYSA-N 0 0 402.425 5.693 50 0 HKAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035494 559233336 /nfs/dbraw/zinc/23/33/36/559233336.db2.gz IJJKLHOQXCKSDJ-UHFFFAOYSA-N 0 0 404.397 5.085 50 0 HKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000005035495 559233362 /nfs/dbraw/zinc/23/33/62/559233362.db2.gz GBJYSYVZJJFJLQ-UHFFFAOYSA-N 0 0 404.397 5.085 50 0 HKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005035496 559233334 /nfs/dbraw/zinc/23/33/34/559233334.db2.gz NDIZESOTNZBDCG-UHFFFAOYSA-N 0 0 404.397 5.085 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035497 559233380 /nfs/dbraw/zinc/23/33/80/559233380.db2.gz BGMUUCMKAOHCFU-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005035498 559233328 /nfs/dbraw/zinc/23/33/28/559233328.db2.gz KVBDIWUGYJPAHD-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000005035502 559233358 /nfs/dbraw/zinc/23/33/58/559233358.db2.gz PJTVUEWGPKVNDV-UHFFFAOYSA-N 0 0 410.351 5.355 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035504 559232008 /nfs/dbraw/zinc/23/20/08/559232008.db2.gz BRMZUGNZHLCJFH-HNNXBMFYSA-N 0 0 418.424 5.230 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035505 559231984 /nfs/dbraw/zinc/23/19/84/559231984.db2.gz BRMZUGNZHLCJFH-OAHLLOKOSA-N 0 0 418.424 5.230 50 0 HKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005035507 559231951 /nfs/dbraw/zinc/23/19/51/559231951.db2.gz XMMKISZBCLKQJM-UHFFFAOYSA-N 0 0 418.424 5.014 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035508 559232028 /nfs/dbraw/zinc/23/20/28/559232028.db2.gz LQGAXAHXTCGFJT-UHFFFAOYSA-N 0 0 406.388 5.145 50 0 HKAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000005035509 559231960 /nfs/dbraw/zinc/23/19/60/559231960.db2.gz JJNUUMLXIBIIDW-UHFFFAOYSA-N 0 0 402.425 5.314 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000005035513 559231992 /nfs/dbraw/zinc/23/19/92/559231992.db2.gz BCIVCDQBZQWQBT-UHFFFAOYSA-N 0 0 414.392 5.823 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035514 559231967 /nfs/dbraw/zinc/23/19/67/559231967.db2.gz YIFZIBSGJWWTSU-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000005035515 559231982 /nfs/dbraw/zinc/23/19/82/559231982.db2.gz GANJUTVEDGLSID-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000005035516 559232018 /nfs/dbraw/zinc/23/20/18/559232018.db2.gz CEENEPRVWXEKAK-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)cc1 ZINC000005035520 559232005 /nfs/dbraw/zinc/23/20/05/559232005.db2.gz KRSHJBOTEXWMAQ-UHFFFAOYSA-N 0 0 406.482 5.603 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1 ZINC000005035523 559232024 /nfs/dbraw/zinc/23/20/24/559232024.db2.gz QXVWSWLQPCLEMC-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)cc1 ZINC000005035524 559231964 /nfs/dbraw/zinc/23/19/64/559231964.db2.gz LQOBCPWGZJBPQF-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1 ZINC000005035525 559231955 /nfs/dbraw/zinc/23/19/55/559231955.db2.gz QDWFELOXJOOYTM-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1 ZINC000005035526 559232020 /nfs/dbraw/zinc/23/20/20/559232020.db2.gz RAVXDDIRNDKCIN-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1 ZINC000005035527 559232026 /nfs/dbraw/zinc/23/20/26/559232026.db2.gz LZSOVOKSVUYBMK-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1 ZINC000005035529 559231997 /nfs/dbraw/zinc/23/19/97/559231997.db2.gz XYWCCRADIJNCFV-UHFFFAOYSA-N 0 0 406.463 5.398 50 0 HKAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000005035543 559231978 /nfs/dbraw/zinc/23/19/78/559231978.db2.gz JHUZHSSWMUPSAO-UHFFFAOYSA-N 0 0 400.434 5.254 50 0 HKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)c1 ZINC000005035544 559231996 /nfs/dbraw/zinc/23/19/96/559231996.db2.gz ZGHJHEBKMPPAOZ-UHFFFAOYSA-N 0 0 400.434 5.254 50 0 HKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000005035545 559232011 /nfs/dbraw/zinc/23/20/11/559232011.db2.gz VBUWZGBQPKDXTM-UHFFFAOYSA-N 0 0 400.434 5.254 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000005035546 559232106 /nfs/dbraw/zinc/23/21/06/559232106.db2.gz BGIOBKHCIPPKQE-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000005035547 559232072 /nfs/dbraw/zinc/23/20/72/559232072.db2.gz HWSBOSFWSLKUDI-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)cc1 ZINC000005035551 559232122 /nfs/dbraw/zinc/23/21/22/559232122.db2.gz ONSICLVWCYYIQH-UHFFFAOYSA-N 0 0 406.388 5.524 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000005035552 559232064 /nfs/dbraw/zinc/23/20/64/559232064.db2.gz ZFKJVVZNZDNVTG-UHFFFAOYSA-N 0 0 406.388 5.524 50 0 aggregator HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1 ZINC000005035553 559232112 /nfs/dbraw/zinc/23/21/12/559232112.db2.gz ZZMPHWXYJGKBPD-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000005035554 559232070 /nfs/dbraw/zinc/23/20/70/559232070.db2.gz FPCAVVXAUGADSW-QGZVFWFLSA-N 0 0 414.461 5.400 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000005035555 559232068 /nfs/dbraw/zinc/23/20/68/559232068.db2.gz FPCAVVXAUGADSW-KRWDZBQOSA-N 0 0 414.461 5.400 50 0 HKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000005035556 559232096 /nfs/dbraw/zinc/23/20/96/559232096.db2.gz FFVOTVFKAHXDPO-UHFFFAOYSA-N 0 0 414.461 5.183 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1 ZINC000005035557 559232076 /nfs/dbraw/zinc/23/20/76/559232076.db2.gz ZSTQCEZEHPYEDO-UHFFFAOYSA-N 0 0 402.425 5.314 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1 ZINC000005035562 559232085 /nfs/dbraw/zinc/23/20/85/559232085.db2.gz RGQOWNPMXVKZJK-UHFFFAOYSA-N 0 0 410.429 5.992 50 0 aggregator HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1 ZINC000005035563 559232118 /nfs/dbraw/zinc/23/21/18/559232118.db2.gz JSKAPMZBGSRMQO-UHFFFAOYSA-N 0 0 414.461 5.319 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1 ZINC000005035564 559232061 /nfs/dbraw/zinc/23/20/61/559232061.db2.gz MABCIUCSQUWPHF-UHFFFAOYSA-N 0 0 414.461 5.319 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 ZINC000005035565 559232102 /nfs/dbraw/zinc/23/21/02/559232102.db2.gz LBYHDISJPWNLPC-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 ZINC000005035566 559232080 /nfs/dbraw/zinc/23/20/80/559232080.db2.gz GRCBRROSKQSQGN-UHFFFAOYSA-N 0 0 418.424 5.150 50 0 HKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)c(OC)c1 ZINC000005035572 559232110 /nfs/dbraw/zinc/23/21/10/559232110.db2.gz YHMFRWWPOJPBMI-UHFFFAOYSA-N 0 0 422.481 5.221 50 0 HKAARN CCOC(=O)c1oc2ccccc2c1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005035575 559232098 /nfs/dbraw/zinc/23/20/98/559232098.db2.gz BDMYBTPXKORWLD-UHFFFAOYSA-N 0 0 413.429 5.486 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3NC2=O)cc1 ZINC000005035825 559232334 /nfs/dbraw/zinc/23/23/34/559232334.db2.gz BXVYYNICGJRHIC-WSDLNYQXSA-N 0 0 418.493 5.149 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccccc4)cc3NC2=O)cc1 ZINC000005035828 559232338 /nfs/dbraw/zinc/23/23/38/559232338.db2.gz AHZVNTPQBLMJKG-HZHRSRAPSA-N 0 0 414.530 5.053 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000005035832 559232305 /nfs/dbraw/zinc/23/23/05/559232305.db2.gz IOUUJRYLOUGAJI-ZYVKARGFSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000005035833 559232327 /nfs/dbraw/zinc/23/23/27/559232327.db2.gz IOUUJRYLOUGAJI-DRYMOHHNSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)cc1 ZINC000005035834 559232342 /nfs/dbraw/zinc/23/23/42/559232342.db2.gz IOUUJRYLOUGAJI-HIAWKFHPSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4)cc3NC2=O)cc1 ZINC000005035839 559232323 /nfs/dbraw/zinc/23/23/23/559232323.db2.gz KHNMNOBXFFABSF-LPYMAVHISA-N 0 0 400.503 5.010 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC4=CCCCC4)cc3NC2=O)cc1 ZINC000005035842 559232308 /nfs/dbraw/zinc/23/23/08/559232308.db2.gz GECIHOAGLWGEOM-HZHRSRAPSA-N 0 0 418.562 5.701 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3NC2=O)c1 ZINC000005035859 559232344 /nfs/dbraw/zinc/23/23/44/559232344.db2.gz OZSQDBJGJVVGAT-XUGASKOVSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3NC2=O)c1 ZINC000005035861 559232346 /nfs/dbraw/zinc/23/23/46/559232346.db2.gz OZSQDBJGJVVGAT-PQBDQTEVSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000005035866 559232286 /nfs/dbraw/zinc/23/22/86/559232286.db2.gz BLOALFUSHOHVJK-ZYVKARGFSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000005035867 559232325 /nfs/dbraw/zinc/23/23/25/559232325.db2.gz BLOALFUSHOHVJK-DRYMOHHNSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)c1 ZINC000005035868 559232336 /nfs/dbraw/zinc/23/23/36/559232336.db2.gz BLOALFUSHOHVJK-HIAWKFHPSA-N 0 0 406.551 5.198 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3NC2=O)c1 ZINC000005035870 559232283 /nfs/dbraw/zinc/23/22/83/559232283.db2.gz KLQURGCCXBCMAZ-WSDLNYQXSA-N 0 0 418.493 5.149 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4)cc3NC2=O)c1 ZINC000005035871 559232329 /nfs/dbraw/zinc/23/23/29/559232329.db2.gz PGOUYOYEKCCGNE-LPYMAVHISA-N 0 0 400.503 5.010 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCc4ccccc4)cc3NC2=O)c1 ZINC000005035875 559232280 /nfs/dbraw/zinc/23/22/80/559232280.db2.gz VHICHGRIPRZZAO-HZHRSRAPSA-N 0 0 414.530 5.053 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC4=CCCCC4)cc3NC2=O)c1 ZINC000005035876 559232301 /nfs/dbraw/zinc/23/23/01/559232301.db2.gz HRMZQBFHRSENET-HZHRSRAPSA-N 0 0 418.562 5.701 50 0 HKAARN COc1ccc(CNC(=O)c2ccc3c(c2)N=C(C)c2c(C)ccc(C)c2S3)cc1 ZINC000005035912 559232397 /nfs/dbraw/zinc/23/23/97/559232397.db2.gz DUOOTMIPVTVFCU-UHFFFAOYSA-N 0 0 416.546 5.847 50 0 aggregator HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCc3ccc(F)cc3)cc1N=C2C ZINC000005035914 559232375 /nfs/dbraw/zinc/23/23/75/559232375.db2.gz FMIWXMPERMSUBP-UHFFFAOYSA-N 0 0 404.510 5.978 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3NC2=O)cc1 ZINC000005035916 559232421 /nfs/dbraw/zinc/23/24/21/559232421.db2.gz PJDAYCJTRXPTLB-XUGASKOVSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3NC2=O)cc1 ZINC000005035918 559232387 /nfs/dbraw/zinc/23/23/87/559232387.db2.gz PJDAYCJTRXPTLB-PQBDQTEVSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCC(C)CC4)cc3NC2=O)cc1 ZINC000005035920 559232403 /nfs/dbraw/zinc/23/24/03/559232403.db2.gz OXOPHKFYLHNZFA-LPYMAVHISA-N 0 0 406.551 5.389 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCc3ccc(Cl)cc3)cc1N=C2C ZINC000005035926 559232402 /nfs/dbraw/zinc/23/24/02/559232402.db2.gz PFQWNPXRCWGXOP-UHFFFAOYSA-N 0 0 420.965 6.492 50 0 HKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2 ZINC000005035929 559232405 /nfs/dbraw/zinc/23/24/05/559232405.db2.gz GLRVGUGHNROAML-UHFFFAOYSA-N 0 0 416.546 5.847 50 0 HKAARN CCOC(CNC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2)OCC ZINC000005035931 559232430 /nfs/dbraw/zinc/23/24/30/559232430.db2.gz DCBGYEXCHVYGAN-UHFFFAOYSA-N 0 0 412.555 5.038 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)N3CCc4ccccc4C3)cc1N=C2C ZINC000005035939 559232391 /nfs/dbraw/zinc/23/23/91/559232391.db2.gz BWHJCMZSLMRTMN-UHFFFAOYSA-N 0 0 412.558 6.107 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)N[C@@H](C)c3ccccc3)cc1N=C2C ZINC000005035940 559232398 /nfs/dbraw/zinc/23/23/98/559232398.db2.gz AKWGBGJJLXJPJL-KRWDZBQOSA-N 0 0 400.547 6.400 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)N[C@H](C)c3ccccc3)cc1N=C2C ZINC000005035941 559232426 /nfs/dbraw/zinc/23/24/26/559232426.db2.gz AKWGBGJJLXJPJL-QGZVFWFLSA-N 0 0 400.547 6.400 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCCC3=CCCCC3)cc1N=C2C ZINC000005035946 559232428 /nfs/dbraw/zinc/23/24/28/559232428.db2.gz XGSWQHBZHOAHHM-UHFFFAOYSA-N 0 0 404.579 6.529 50 0 HKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCc3ccccc3Cl)cc1N=C2C ZINC000005035949 559232379 /nfs/dbraw/zinc/23/23/79/559232379.db2.gz MDCPZGXKCAZMGV-UHFFFAOYSA-N 0 0 420.965 6.492 50 0 HKAARN Cc1ccc(NC(=O)CSCC(=O)OCc2c(Cl)cccc2Cl)c(C)c1 ZINC000005036021 560623810 /nfs/dbraw/zinc/62/38/10/560623810.db2.gz QCGYXQZWCDKKJX-UHFFFAOYSA-N 0 0 412.338 5.025 50 0 HKAARN Cc1cc2c(cc(C(=O)NCCCc3ccccc3)n2Cc2ccc(Cl)cc2)o1 ZINC000005036256 559232388 /nfs/dbraw/zinc/23/23/88/559232388.db2.gz AXLXSPSSJWXRMN-UHFFFAOYSA-N 0 0 406.913 5.607 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000005036306 559232420 /nfs/dbraw/zinc/23/24/20/559232420.db2.gz BLJPMVBEXCZTMZ-UHFFFAOYSA-N 0 0 408.910 5.859 50 0 aggregator HKAARN Cc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000005036330 559232394 /nfs/dbraw/zinc/23/23/94/559232394.db2.gz YODRQHQPIPRTGR-UHFFFAOYSA-N 0 0 408.954 5.685 50 0 aggregator HKAARN CC(=O)c1cccc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)c1 ZINC000005036331 559232381 /nfs/dbraw/zinc/23/23/81/559232381.db2.gz FVQKMHWWKCGQDP-UHFFFAOYSA-N 0 0 408.910 5.859 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000005036338 568948563 /nfs/dbraw/zinc/94/85/63/568948563.db2.gz BSIQNOFQPKTUDE-FQEVSTJZSA-N 0 0 420.965 6.212 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000005036339 559232504 /nfs/dbraw/zinc/23/25/04/559232504.db2.gz BSIQNOFQPKTUDE-HXUWFJFHSA-N 0 0 420.965 6.212 50 0 HKAARN O=C(Nc1cc(F)ccc1F)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000005036343 559232529 /nfs/dbraw/zinc/23/25/29/559232529.db2.gz KXVWFFGQHPYNMM-UHFFFAOYSA-N 0 0 402.853 5.935 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)[C@@H]1C ZINC000005036346 559232539 /nfs/dbraw/zinc/23/25/39/559232539.db2.gz OXFMZAZIXFTUMM-RKVPGOIHSA-N 0 0 400.975 5.959 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)[C@@H]1C ZINC000005036350 559232522 /nfs/dbraw/zinc/23/25/22/559232522.db2.gz OXFMZAZIXFTUMM-IIDMSEBBSA-N 0 0 400.975 5.959 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000005036359 568948541 /nfs/dbraw/zinc/94/85/41/568948541.db2.gz BFEFZGLQTRANTL-KRWDZBQOSA-N 0 0 422.981 6.156 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000005036362 559232531 /nfs/dbraw/zinc/23/25/31/559232531.db2.gz BFEFZGLQTRANTL-QGZVFWFLSA-N 0 0 422.981 6.156 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000005036395 559232506 /nfs/dbraw/zinc/23/25/06/559232506.db2.gz SDWTWFZKNNCQNK-UHFFFAOYSA-N 0 0 407.470 5.101 50 0 HKAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000005036619 559232499 /nfs/dbraw/zinc/23/24/99/559232499.db2.gz MZTHFTQLAVOQPU-UHFFFAOYSA-N 0 0 423.582 5.044 50 0 HKAARN CCOc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2CC)cc1OCC ZINC000005036640 559232542 /nfs/dbraw/zinc/23/25/42/559232542.db2.gz ANPFFLZTROMJCF-UHFFFAOYSA-N 0 0 420.962 5.146 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036664 559232502 /nfs/dbraw/zinc/23/25/02/559232502.db2.gz VUFYEIMGPOLMBF-HNNXBMFYSA-N 0 0 417.896 5.759 50 0 aggregator HKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036665 559232530 /nfs/dbraw/zinc/23/25/30/559232530.db2.gz VUFYEIMGPOLMBF-OAHLLOKOSA-N 0 0 417.896 5.759 50 0 aggregator HKAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036668 559232535 /nfs/dbraw/zinc/23/25/35/559232535.db2.gz JJALFMRDLWHFIO-HNNXBMFYSA-N 0 0 405.885 5.565 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036669 559232527 /nfs/dbraw/zinc/23/25/27/559232527.db2.gz JJALFMRDLWHFIO-OAHLLOKOSA-N 0 0 405.885 5.565 50 0 HKAARN CC(C)CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc2c1=O ZINC000005036690 559232511 /nfs/dbraw/zinc/23/25/11/559232511.db2.gz UIYPBFUQSALSHF-UHFFFAOYSA-N 0 0 423.582 5.297 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036700 559232580 /nfs/dbraw/zinc/23/25/80/559232580.db2.gz KCVSVGUYSPCTKN-ZDUSSCGKSA-N 0 0 411.839 5.835 50 0 HKAARN C[C@H](C(=O)Nc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036702 559232562 /nfs/dbraw/zinc/23/25/62/559232562.db2.gz KCVSVGUYSPCTKN-CYBMUJFWSA-N 0 0 411.839 5.835 50 0 HKAARN Cc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1C ZINC000005036703 559232578 /nfs/dbraw/zinc/23/25/78/559232578.db2.gz JSZNJLHETONTKM-QGZVFWFLSA-N 0 0 403.913 6.173 50 0 HKAARN Cc1cccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1C ZINC000005036705 559232555 /nfs/dbraw/zinc/23/25/55/559232555.db2.gz JSZNJLHETONTKM-KRWDZBQOSA-N 0 0 403.913 6.173 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036707 559232598 /nfs/dbraw/zinc/23/25/98/559232598.db2.gz UPIYEJNUXRMPAB-QGZVFWFLSA-N 0 0 403.913 6.173 50 0 HKAARN CC(C)CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000005036708 559232602 /nfs/dbraw/zinc/23/26/02/559232602.db2.gz CMENROFTWKUGDM-UHFFFAOYSA-N 0 0 423.582 5.297 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036709 559232614 /nfs/dbraw/zinc/23/26/14/559232614.db2.gz UPIYEJNUXRMPAB-KRWDZBQOSA-N 0 0 403.913 6.173 50 0 HKAARN CCc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036710 559232589 /nfs/dbraw/zinc/23/25/89/559232589.db2.gz JVUBAWVJGGJWSG-MRXNPFEDSA-N 0 0 403.913 6.119 50 0 HKAARN CCc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036712 559232576 /nfs/dbraw/zinc/23/25/76/559232576.db2.gz JVUBAWVJGGJWSG-INIZCTEOSA-N 0 0 403.913 6.119 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)c1 ZINC000005036718 559232593 /nfs/dbraw/zinc/23/25/93/559232593.db2.gz UHRKZWQJYZQUNI-UHFFFAOYSA-N 0 0 423.582 5.099 50 0 HKAARN COc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036720 559232604 /nfs/dbraw/zinc/23/26/04/559232604.db2.gz MBZKOAOVWMSJRR-INIZCTEOSA-N 0 0 419.912 5.243 50 0 HKAARN COc1ccc(CNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036722 559232607 /nfs/dbraw/zinc/23/26/07/559232607.db2.gz MBZKOAOVWMSJRR-MRXNPFEDSA-N 0 0 419.912 5.243 50 0 HKAARN Cc1ccc(CNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036724 559232585 /nfs/dbraw/zinc/23/25/85/559232585.db2.gz DWIBTGOXXFQTPK-QGZVFWFLSA-N 0 0 403.913 5.543 50 0 HKAARN Cc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000005036726 559232564 /nfs/dbraw/zinc/23/25/64/559232564.db2.gz DWIBTGOXXFQTPK-KRWDZBQOSA-N 0 0 403.913 5.543 50 0 HKAARN C[C@@H](C(=O)NCCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036727 559232596 /nfs/dbraw/zinc/23/25/96/559232596.db2.gz JYTIZPDMOGSHNY-SFHVURJKSA-N 0 0 417.940 5.667 50 0 HKAARN C[C@H](C(=O)NCCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036729 559232612 /nfs/dbraw/zinc/23/26/12/559232612.db2.gz JYTIZPDMOGSHNY-GOSISDBHSA-N 0 0 417.940 5.667 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000005036736 559232567 /nfs/dbraw/zinc/23/25/67/559232567.db2.gz KHMAICZPALNIAZ-QGZVFWFLSA-N 0 0 403.913 6.173 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000005036738 559232560 /nfs/dbraw/zinc/23/25/60/559232560.db2.gz KHMAICZPALNIAZ-KRWDZBQOSA-N 0 0 403.913 6.173 50 0 HKAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036743 559232558 /nfs/dbraw/zinc/23/25/58/559232558.db2.gz JILGCBQHXCDTQZ-DLBZAZTESA-N 0 0 403.913 5.795 50 0 HKAARN C[C@@H](NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000005036745 559232574 /nfs/dbraw/zinc/23/25/74/559232574.db2.gz JILGCBQHXCDTQZ-IAGOWNOFSA-N 0 0 403.913 5.795 50 0 HKAARN C[C@H](NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000005036747 559232689 /nfs/dbraw/zinc/23/26/89/559232689.db2.gz JILGCBQHXCDTQZ-IRXDYDNUSA-N 0 0 403.913 5.795 50 0 HKAARN C[C@@H](NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000005036749 559232712 /nfs/dbraw/zinc/23/27/12/559232712.db2.gz JILGCBQHXCDTQZ-SJORKVTESA-N 0 0 403.913 5.795 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C ZINC000005036760 559232717 /nfs/dbraw/zinc/23/27/17/559232717.db2.gz VWNURDIKRREDRS-QGZVFWFLSA-N 0 0 403.913 6.173 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C ZINC000005036761 559232698 /nfs/dbraw/zinc/23/26/98/559232698.db2.gz VWNURDIKRREDRS-KRWDZBQOSA-N 0 0 403.913 6.173 50 0 HKAARN C[C@@H](C(=O)NCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036763 559232705 /nfs/dbraw/zinc/23/27/05/559232705.db2.gz ZCKDARKHIVPVDI-KRWDZBQOSA-N 0 0 403.913 5.277 50 0 HKAARN C[C@H](C(=O)NCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036764 559232711 /nfs/dbraw/zinc/23/27/11/559232711.db2.gz ZCKDARKHIVPVDI-QGZVFWFLSA-N 0 0 403.913 5.277 50 0 HKAARN Cc1cc(C)c(NC(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000005036777 559232690 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/nfs/dbraw/zinc/23/77/54/559237754.db2.gz XKNNMQRTRGIVJH-NRFANRHFSA-N 0 0 422.550 5.086 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)cc1 ZINC000005056917 559237761 /nfs/dbraw/zinc/23/77/61/559237761.db2.gz RVIUZUFXKUVKHW-KRWDZBQOSA-N 0 0 424.566 5.029 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)cc1 ZINC000005056921 559237837 /nfs/dbraw/zinc/23/78/37/559237837.db2.gz RVIUZUFXKUVKHW-QGZVFWFLSA-N 0 0 424.566 5.029 50 0 HKAARN COc1cccc(-c2nc(CSCC(=O)N[C@@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000005057070 559237834 /nfs/dbraw/zinc/23/78/34/559237834.db2.gz IGDVNQVLBCYXEU-KRWDZBQOSA-N 0 0 424.566 5.029 50 0 HKAARN COc1cccc(-c2nc(CSCC(=O)N[C@H](C)CCc3ccccc3)c(C)o2)c1 ZINC000005057081 559237868 /nfs/dbraw/zinc/23/78/68/559237868.db2.gz IGDVNQVLBCYXEU-QGZVFWFLSA-N 0 0 424.566 5.029 50 0 HKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCc1ccc(C)cc1 ZINC000005057281 559237864 /nfs/dbraw/zinc/23/78/64/559237864.db2.gz AVPWEADWYOTMTQ-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000005057470 559237934 /nfs/dbraw/zinc/23/79/34/559237934.db2.gz QAEPAIMHUAUDSO-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCc1ccc(C)cc1 ZINC000005057512 559237956 /nfs/dbraw/zinc/23/79/56/559237956.db2.gz GXTZXFGDIXGXJW-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCCc1ccc(C)cc1 ZINC000005057513 559237922 /nfs/dbraw/zinc/23/79/22/559237922.db2.gz ISTVKZKFDQUCJL-UHFFFAOYSA-N 0 0 414.958 5.204 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000005057520 559237905 /nfs/dbraw/zinc/23/79/05/559237905.db2.gz STLNSUFAGWQMNY-SUNYJGFJSA-N 0 0 406.979 5.478 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000005057522 559237920 /nfs/dbraw/zinc/23/79/20/559237920.db2.gz STLNSUFAGWQMNY-QWQRMKEZSA-N 0 0 406.979 5.478 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N(C)Cc3ccccc3)c(C)o2)cc1 ZINC000005057529 559237910 /nfs/dbraw/zinc/23/79/10/559237910.db2.gz 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ZINC000005057553 559237896 /nfs/dbraw/zinc/23/78/96/559237896.db2.gz UTBDZHRQLAJEBW-RDTXWAMCSA-N 0 0 404.601 5.300 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCC[C@H]3C)c(C)o2)cc1 ZINC000005057554 559237939 /nfs/dbraw/zinc/23/79/39/559237939.db2.gz UTBDZHRQLAJEBW-KDOFPFPSSA-N 0 0 404.601 5.300 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)NCCC3=CCCCC3)c(C)o2)cc1 ZINC000005057557 559237893 /nfs/dbraw/zinc/23/78/93/559237893.db2.gz PYMDAPYZGHJYAD-UHFFFAOYSA-N 0 0 416.612 5.612 50 0 HKAARN CCc1ccc(-c2nc(CSCC(=O)NCc3ccccc3Cl)c(C)o2)cc1 ZINC000005057572 559238046 /nfs/dbraw/zinc/23/80/46/559238046.db2.gz HDKLGXXXHACSQB-UHFFFAOYSA-N 0 0 414.958 5.415 50 0 HKAARN CCc1ccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000005057573 559238036 /nfs/dbraw/zinc/23/80/36/559238036.db2.gz FUSYSIIXRAQTFN-UHFFFAOYSA-N 0 0 414.958 5.415 50 0 HKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSCC(=O)N1CCc2ccccc2C1 ZINC000005057589 559238047 /nfs/dbraw/zinc/23/80/47/559238047.db2.gz DVEGGGJELNDODR-UHFFFAOYSA-N 0 0 412.942 5.122 50 0 HKAARN CCCCSCCCNC(=O)CSCc1nc(-c2ccccc2F)oc1C ZINC000005057630 559238049 /nfs/dbraw/zinc/23/80/49/559238049.db2.gz OGAQNITXRCSPET-UHFFFAOYSA-N 0 0 410.580 5.062 50 0 HKAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCc1ccccc1Cl ZINC000005057642 559238041 /nfs/dbraw/zinc/23/80/41/559238041.db2.gz SLBUHDBOMRXNKT-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000005057643 559238043 /nfs/dbraw/zinc/23/80/43/559238043.db2.gz JTCAGXDSHVLULP-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCCc1ccc(Cl)cc1 ZINC000005057644 559238030 /nfs/dbraw/zinc/23/80/30/559238030.db2.gz TUMCVGBVFAPJRF-UHFFFAOYSA-N 0 0 414.958 5.204 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCc1ccccc1Cl ZINC000005057673 559238056 /nfs/dbraw/zinc/23/80/56/559238056.db2.gz SBAHWAMIFLUNLL-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000005057674 559238039 /nfs/dbraw/zinc/23/80/39/559238039.db2.gz XLTDFOGMPHYYMC-UHFFFAOYSA-N 0 0 400.931 5.161 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000005057695 559238044 /nfs/dbraw/zinc/23/80/44/559238044.db2.gz KAMQNFUZGCJBKO-SFHVURJKSA-N 0 0 408.567 5.329 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)N[C@H](C)CCc1ccccc1 ZINC000005057696 559238040 /nfs/dbraw/zinc/23/80/40/559238040.db2.gz KAMQNFUZGCJBKO-GOSISDBHSA-N 0 0 408.567 5.329 50 0 HKAARN Cc1ccsc1-c1nc(CSCC(=O)NCc2ccc(Cl)cc2)c(C)o1 ZINC000005057708 559238034 /nfs/dbraw/zinc/23/80/34/559238034.db2.gz ZUSNOVDGFTUJPB-UHFFFAOYSA-N 0 0 406.960 5.223 50 0 HKAARN Cc1ccsc1-c1nc(CSCC(=O)N[C@@H]2CCCc3ccccc32)c(C)o1 ZINC000005057726 559238032 /nfs/dbraw/zinc/23/80/32/559238032.db2.gz STJHAIVZRLXYDX-GOSISDBHSA-N 0 0 412.580 5.447 50 0 HKAARN Cc1ccsc1-c1nc(CSCC(=O)N[C@H]2CCCc3ccccc32)c(C)o1 ZINC000005057727 559238053 /nfs/dbraw/zinc/23/80/53/559238053.db2.gz STJHAIVZRLXYDX-SFHVURJKSA-N 0 0 412.580 5.447 50 0 HKAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N[C@@H](C)CCc1ccccc1 ZINC000005058885 559238811 /nfs/dbraw/zinc/23/88/11/559238811.db2.gz YQOCZWWGLOFDIH-KRWDZBQOSA-N 0 0 400.526 5.455 50 0 HKAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N[C@H](C)CCc1ccccc1 ZINC000005058886 559238934 /nfs/dbraw/zinc/23/89/34/559238934.db2.gz YQOCZWWGLOFDIH-QGZVFWFLSA-N 0 0 400.526 5.455 50 0 HKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCCc2ccccc2)cc1OC ZINC000005058899 559238956 /nfs/dbraw/zinc/23/89/56/559238956.db2.gz QUKFLFWESGWQKA-UHFFFAOYSA-N 0 0 416.525 5.075 50 0 HKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCC2=CCCCC2)cc1OC ZINC000005058904 559238973 /nfs/dbraw/zinc/23/89/73/559238973.db2.gz VJLVGUSKMUQSMR-UHFFFAOYSA-N 0 0 406.530 5.333 50 0 HKAARN CC(C)c1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000005059731 559239140 /nfs/dbraw/zinc/23/91/40/559239140.db2.gz WSQDDCDORASWHM-JOCHJYFZSA-N 0 0 421.541 5.366 50 0 biogenic HKAARN CC(C)c1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000005059735 559239168 /nfs/dbraw/zinc/23/91/68/559239168.db2.gz WSQDDCDORASWHM-QFIPXVFZSA-N 0 0 421.541 5.366 50 0 biogenic HKAARN COc1ccc(OC)c(NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2OC)c1 ZINC000005060040 557632288 /nfs/dbraw/zinc/63/22/88/557632288.db2.gz XJQRFOAAVKKFNE-UHFFFAOYSA-N 0 0 421.537 5.433 50 0 HKAARN CCCC(=O)Nc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000005060099 557632362 /nfs/dbraw/zinc/63/23/62/557632362.db2.gz BMGKCPCIEOBEFJ-UHFFFAOYSA-N 0 0 415.704 5.403 50 0 HKAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000005061449 557632802 /nfs/dbraw/zinc/63/28/02/557632802.db2.gz DJRCBHVVERNIJA-XDHOZWIPSA-N 0 0 415.276 5.304 50 0 HKAARN Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000005061666 557632767 /nfs/dbraw/zinc/63/27/67/557632767.db2.gz HDRMICURTLAGPK-XDHOZWIPSA-N 0 0 415.276 5.304 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005063512 557633226 /nfs/dbraw/zinc/63/32/26/557633226.db2.gz BTGPYSGPYJBKLY-UHFFFAOYSA-N 0 0 400.522 6.348 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000005063570 557633248 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Cc1cc2sc(N3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)nc2c(C)c1 ZINC000005106913 559246096 /nfs/dbraw/zinc/24/60/96/559246096.db2.gz SEABZUJEPCOXRV-UHFFFAOYSA-N 0 0 413.974 5.730 50 0 HKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1C ZINC000005106916 559246095 /nfs/dbraw/zinc/24/60/95/559246095.db2.gz JNFADGICYXUDKN-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)cc1 ZINC000005106919 559246099 /nfs/dbraw/zinc/24/60/99/559246099.db2.gz KBNFYNGFPIACIM-UHFFFAOYSA-N 0 0 414.461 5.645 50 0 HKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 ZINC000005106921 559246100 /nfs/dbraw/zinc/24/61/00/559246100.db2.gz QTWUGJIWTVWOPD-UHFFFAOYSA-N 0 0 418.424 5.475 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nc2c(C)c1 ZINC000005106922 559246106 /nfs/dbraw/zinc/24/61/06/559246106.db2.gz FANCYACYJWNECY-UHFFFAOYSA-N 0 0 413.974 5.730 50 0 HKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 ZINC000005106923 559246080 /nfs/dbraw/zinc/24/60/80/559246080.db2.gz 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ZINC000005106995 568454016 /nfs/dbraw/zinc/45/40/16/568454016.db2.gz IGMFHGKUNJJZBH-UHFFFAOYSA-N 0 0 410.351 5.355 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)c(Cl)c1 ZINC000005107008 559246103 /nfs/dbraw/zinc/24/61/03/559246103.db2.gz VGVLDRTTWRYPDZ-UHFFFAOYSA-N 0 0 413.974 5.730 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1C ZINC000005107032 559246082 /nfs/dbraw/zinc/24/60/82/559246082.db2.gz ROCBJTPLQOZTRQ-UHFFFAOYSA-N 0 0 402.425 5.693 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)cc1C ZINC000005107033 559246073 /nfs/dbraw/zinc/24/60/73/559246073.db2.gz HKGKPYSDMBZENJ-UHFFFAOYSA-N 0 0 402.425 5.693 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1C ZINC000005107034 559246070 /nfs/dbraw/zinc/24/60/70/559246070.db2.gz XGIKWCKQXCBUMW-UHFFFAOYSA-N 0 0 402.425 5.693 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1C ZINC000005107037 560623349 /nfs/dbraw/zinc/62/33/49/560623349.db2.gz WJAQGHTVCADPDY-UHFFFAOYSA-N 0 0 416.452 5.622 50 0 HKAARN CCC(CC)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cc(OC)ccc1OC ZINC000005107052 560623481 /nfs/dbraw/zinc/62/34/81/560623481.db2.gz BWLUHMOWOSGZNN-UHFFFAOYSA-N 0 0 410.470 5.077 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCC2)c1 ZINC000005107055 559246105 /nfs/dbraw/zinc/24/61/05/559246105.db2.gz WDUUFJQRUZXKPU-UHFFFAOYSA-N 0 0 422.481 5.221 50 0 HKAARN CCC(CC)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000005107073 559246098 /nfs/dbraw/zinc/24/60/98/559246098.db2.gz UOOGWKMGCVXEGX-UHFFFAOYSA-N 0 0 410.470 5.077 50 0 HKAARN O=C(CC1CCCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005107091 559246075 /nfs/dbraw/zinc/24/60/75/559246075.db2.gz JRVZLBMAKIBDMG-UHFFFAOYSA-N 0 0 420.465 5.323 50 0 HKAARN CSc1cccc(NC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)c1 ZINC000005107092 559246101 /nfs/dbraw/zinc/24/61/01/559246101.db2.gz MBYJYDCCJKSZFH-UHFFFAOYSA-N 0 0 411.596 5.490 50 0 HKAARN O=C(CCC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005107094 559246091 /nfs/dbraw/zinc/24/60/91/559246091.db2.gz BRBWVVJTCFZDMM-UHFFFAOYSA-N 0 0 420.465 5.323 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)nc2c(C)c1 ZINC000005107134 559246163 /nfs/dbraw/zinc/24/61/63/559246163.db2.gz AIEAUCMIUXPPHX-OAQYLSRUSA-N 0 0 419.594 5.323 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)nc2c(C)c1 ZINC000005107149 559246166 /nfs/dbraw/zinc/24/61/66/559246166.db2.gz AIEAUCMIUXPPHX-NRFANRHFSA-N 0 0 419.594 5.323 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)nc2c(C)c1 ZINC000005107181 559246171 /nfs/dbraw/zinc/24/61/71/559246171.db2.gz LPIPADWBVYPKRB-GOSISDBHSA-N 0 0 407.583 5.049 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)nc2c(C)c1 ZINC000005107198 559246153 /nfs/dbraw/zinc/24/61/53/559246153.db2.gz LPIPADWBVYPKRB-SFHVURJKSA-N 0 0 407.583 5.049 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)nc2c(C)c1 ZINC000005107300 559246124 /nfs/dbraw/zinc/24/61/24/559246124.db2.gz RHJHPWKGCISIPW-IBGZPJMESA-N 0 0 421.610 5.267 50 0 HKAARN Cc1cc2sc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)nc2c(C)c1 ZINC000005107310 559246145 /nfs/dbraw/zinc/24/61/45/559246145.db2.gz RHJHPWKGCISIPW-LJQANCHMSA-N 0 0 421.610 5.267 50 0 HKAARN CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000005107338 559246114 /nfs/dbraw/zinc/24/61/14/559246114.db2.gz JMBIZTATQWSRHB-NRFANRHFSA-N 0 0 421.610 5.267 50 0 HKAARN CC[C@H](Cc1ccccc1)NC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000005107348 559246116 /nfs/dbraw/zinc/24/61/16/559246116.db2.gz JMBIZTATQWSRHB-OAQYLSRUSA-N 0 0 421.610 5.267 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)nc2c(C)c1 ZINC000005107434 559246161 /nfs/dbraw/zinc/24/61/61/559246161.db2.gz DPWNIRUXRTXGPF-KRWDZBQOSA-N 0 0 413.974 5.099 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)nc2c(C)c1 ZINC000005107442 559246140 /nfs/dbraw/zinc/24/61/40/559246140.db2.gz DPWNIRUXRTXGPF-QGZVFWFLSA-N 0 0 413.974 5.099 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nc2c(C)c1 ZINC000005107467 559246129 /nfs/dbraw/zinc/24/61/29/559246129.db2.gz UCBBNEQCKBWKEU-KRWDZBQOSA-N 0 0 413.974 5.099 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nc2c(C)c1 ZINC000005107474 559246120 /nfs/dbraw/zinc/24/61/20/559246120.db2.gz UCBBNEQCKBWKEU-QGZVFWFLSA-N 0 0 413.974 5.099 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NC[C@@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000005107703 559246255 /nfs/dbraw/zinc/24/62/55/559246255.db2.gz JODUAXNIKNJUPY-QUCCMNQESA-N 0 0 407.583 5.049 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NC[C@@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000005107706 559246248 /nfs/dbraw/zinc/24/62/48/559246248.db2.gz JODUAXNIKNJUPY-UYAOXDASSA-N 0 0 407.583 5.049 50 0 HKAARN CCOc1ccccc1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000005108272 559246286 /nfs/dbraw/zinc/24/62/86/559246286.db2.gz KPFIMMOPNIZDAS-UHFFFAOYSA-N 0 0 400.931 5.143 50 0 HKAARN O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1c(F)cccc1Cl ZINC000005109605 559246926 /nfs/dbraw/zinc/24/69/26/559246926.db2.gz FHETUBCFEFOGNW-IBGZPJMESA-N 0 0 401.796 5.155 50 0 HKAARN O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1c(F)cccc1Cl ZINC000005109607 559246908 /nfs/dbraw/zinc/24/69/08/559246908.db2.gz FHETUBCFEFOGNW-LJQANCHMSA-N 0 0 401.796 5.155 50 0 HKAARN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000005111816 559247104 /nfs/dbraw/zinc/24/71/04/559247104.db2.gz MNGYWBUQXOKZOJ-UHFFFAOYSA-N 0 0 400.522 5.372 50 0 HKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1Cl ZINC000005112028 559247095 /nfs/dbraw/zinc/24/70/95/559247095.db2.gz CLGOUCHYZYQFRY-UHFFFAOYSA-N 0 0 410.951 6.494 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1C ZINC000005112176 559247188 /nfs/dbraw/zinc/24/71/88/559247188.db2.gz UHDRRSPYEOFEFG-UHFFFAOYSA-N 0 0 405.281 5.259 50 0 HKAARN COC(=O)CC[C@]1(C)C(=C(C)C)CC[C@@H](C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000005118940 559247401 /nfs/dbraw/zinc/24/74/01/559247401.db2.gz LYSHMNVQUVJTGP-IUBQTAPSSA-N 0 0 412.526 5.514 50 0 biogenic HKAARN COC(=O)CC[C@]1(C)C(=C(C)C)CC[C@H](C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000005118943 559247403 /nfs/dbraw/zinc/24/74/03/559247403.db2.gz LYSHMNVQUVJTGP-SMTRDTIPSA-N 0 0 412.526 5.514 50 0 biogenic HKAARN CCCOP(=O)(OCCC)C1(Nc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000005118978 559247565 /nfs/dbraw/zinc/24/75/65/559247565.db2.gz QCYPZWMOFYFCDM-UHFFFAOYSA-N 0 0 408.306 7.112 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000005119327 560625073 /nfs/dbraw/zinc/62/50/73/560625073.db2.gz KLCAHSNJJVLITL-UHFFFAOYSA-N 0 0 405.317 5.490 50 0 HKAARN CCCCCC1CCC(c2ccc(OC(=O)c3cccc(C(=O)OCC)n3)cc2)CC1 ZINC000005119564 559247539 /nfs/dbraw/zinc/24/75/39/559247539.db2.gz GRUOKYIKLTVUJF-UHFFFAOYSA-N 0 0 423.553 6.332 50 0 HKAARN CCCCCC1CCC(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1 ZINC000005119568 559247564 /nfs/dbraw/zinc/24/75/64/559247564.db2.gz JXDMOKVYHRCJPP-UHFFFAOYSA-N 0 0 406.595 7.403 50 0 HKAARN CCCCCCOc1ccc(OC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000005119593 559247561 /nfs/dbraw/zinc/24/75/61/559247561.db2.gz ONDHIDHLPXDDNB-DEDYPNTBSA-N 0 0 400.518 6.932 50 0 biogenic HKAARN CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4)s3)cc2)cc1 ZINC000005119605 559247563 /nfs/dbraw/zinc/24/75/63/559247563.db2.gz CKJHWZFHWJGMDT-UHFFFAOYSA-N 0 0 418.993 7.925 50 0 HKAARN CCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000005120501 559247780 /nfs/dbraw/zinc/24/77/80/559247780.db2.gz QWPCAYDIBSHRDP-UHFFFAOYSA-N 0 0 414.575 5.286 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1 ZINC000005120523 559247778 /nfs/dbraw/zinc/24/77/78/559247778.db2.gz RATZITOKULVYJM-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN CC(C)C(=O)N[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000005124258 559248105 /nfs/dbraw/zinc/24/81/05/559248105.db2.gz OZPPOQWSISPQIV-NSHDSACASA-N 0 0 412.066 5.239 50 0 HKAARN CC(C)C(=O)N[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000005124260 559248103 /nfs/dbraw/zinc/24/81/03/559248103.db2.gz OZPPOQWSISPQIV-LLVKDONJSA-N 0 0 412.066 5.239 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1 ZINC000005124262 559248040 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/nfs/dbraw/zinc/25/18/48/559251848.db2.gz JPNHHOIHCCAKBV-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000005142046 559251795 /nfs/dbraw/zinc/25/17/95/559251795.db2.gz OILOMYWKIYAGQP-UHFFFAOYSA-N 0 0 407.926 5.511 50 0 HKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc21 ZINC000005142110 559251810 /nfs/dbraw/zinc/25/18/10/559251810.db2.gz WJKZMTPCCVSKHA-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C)c(C)c3)nc21 ZINC000005142119 559251816 /nfs/dbraw/zinc/25/18/16/559251816.db2.gz VHKLLWIBFKDFJG-UHFFFAOYSA-N 0 0 403.507 5.164 50 0 HKAARN COCCCn1c(C)c(C(=O)NC2CCCCCCC2)cc1-c1ccc(OC)cc1 ZINC000005142121 559251837 /nfs/dbraw/zinc/25/18/37/559251837.db2.gz VUWDOZJHPHSJJH-UHFFFAOYSA-N 0 0 412.574 5.351 50 0 HKAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000005142122 559251786 /nfs/dbraw/zinc/25/17/86/559251786.db2.gz QMBFIFJZHJQDMO-MDZDMXLPSA-N 0 0 407.520 5.008 50 0 HKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc21 ZINC000005142154 559251813 /nfs/dbraw/zinc/25/18/13/559251813.db2.gz LJHODEAVQPYTDZ-BUHFOSPRSA-N 0 0 415.518 5.337 50 0 HKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc21 ZINC000005142162 559251784 /nfs/dbraw/zinc/25/17/84/559251784.db2.gz WXJPXGLDGOZVDY-UHFFFAOYSA-N 0 0 417.534 5.256 50 0 HKAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)cc1 ZINC000005142210 559251832 /nfs/dbraw/zinc/25/18/32/559251832.db2.gz GWWNUXFRAYLHCA-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000005142217 559251817 /nfs/dbraw/zinc/25/18/17/559251817.db2.gz HNCWBSLVTSGDPT-UHFFFAOYSA-N 0 0 407.926 5.511 50 0 HKAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)cc3)nc2c1 ZINC000005142277 559251907 /nfs/dbraw/zinc/25/19/07/559251907.db2.gz GVSJFKJUKWUCFK-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc2c1 ZINC000005142278 559251918 /nfs/dbraw/zinc/25/19/18/559251918.db2.gz ACHIKLDPSYBIMA-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc2c1 ZINC000005142280 559251914 /nfs/dbraw/zinc/25/19/14/559251914.db2.gz CEUUBAWZVZMTMO-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc2c1 ZINC000005142294 559251899 /nfs/dbraw/zinc/25/18/99/559251899.db2.gz WQOSGBJHOROPNE-VQHVLOKHSA-N 0 0 407.520 5.008 50 0 HKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c1C ZINC000005142330 559251921 /nfs/dbraw/zinc/25/19/21/559251921.db2.gz UCYSHCXSESZZEZ-UHFFFAOYSA-N 0 0 401.535 5.474 50 0 HKAARN Cc1cc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c(C)c1 ZINC000005142352 559251903 /nfs/dbraw/zinc/25/19/03/559251903.db2.gz RTJFZGCHGZCYMG-UHFFFAOYSA-N 0 0 401.535 5.474 50 0 HKAARN CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)cc1 ZINC000005142366 559251912 /nfs/dbraw/zinc/25/19/12/559251912.db2.gz KKCIWAXXXQGFEH-UHFFFAOYSA-N 0 0 415.518 5.358 50 0 HKAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc(N(C)C)cc3)sc2c(C)c1 ZINC000005142376 559251909 /nfs/dbraw/zinc/25/19/09/559251909.db2.gz IBQAKNVGHGWGQL-UHFFFAOYSA-N 0 0 416.550 5.221 50 0 HKAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)CCc3ccccc3)sc2c(C)c1 ZINC000005142377 559251896 /nfs/dbraw/zinc/25/18/96/559251896.db2.gz PEFJAPNTNFYTOZ-UHFFFAOYSA-N 0 0 401.535 5.474 50 0 HKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc21 ZINC000005142390 559251927 /nfs/dbraw/zinc/25/19/27/559251927.db2.gz FRMIDKBVKKGCGV-ACCUITESSA-N 0 0 415.518 5.255 50 0 HKAARN CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc(Br)c3)=NN21 ZINC000005142437 559251911 /nfs/dbraw/zinc/25/19/11/559251911.db2.gz JIFSUSNWFDLSOD-PKOBYXMFSA-N 0 0 403.345 5.072 50 0 HKAARN CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc(Br)c3)=NN21 ZINC000005142451 559251897 /nfs/dbraw/zinc/25/18/97/559251897.db2.gz JIFSUSNWFDLSOD-HKUYNNGSSA-N 0 0 403.345 5.072 50 0 HKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Br)cc2)o1 ZINC000005144368 559252401 /nfs/dbraw/zinc/25/24/01/559252401.db2.gz NDIYFONPEWRMIN-UHFFFAOYSA-N 0 0 400.316 5.408 50 0 aggregator HKAARN COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000005144441 559252405 /nfs/dbraw/zinc/25/24/05/559252405.db2.gz GLCRLCRKBDQABE-UHFFFAOYSA-N 0 0 406.413 5.301 50 0 HKAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005144945 559252452 /nfs/dbraw/zinc/25/24/52/559252452.db2.gz XLMDBPKUTTWLEI-UHFFFAOYSA-N 0 0 415.518 5.192 50 0 HKAARN CC1CCN(c2nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3s2)CC1 ZINC000005144996 559252480 /nfs/dbraw/zinc/25/24/80/559252480.db2.gz AYDKUNNGSOJOSR-UHFFFAOYSA-N 0 0 413.974 5.159 50 0 HKAARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 ZINC000005145237 559252437 /nfs/dbraw/zinc/25/24/37/559252437.db2.gz ZFZCFKCWDZTJGD-FQEVSTJZSA-N 0 0 407.583 5.284 50 0 HKAARN CC[C@H](Cc1ccccc1)NC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 ZINC000005145249 559252429 /nfs/dbraw/zinc/25/24/29/559252429.db2.gz ZFZCFKCWDZTJGD-HXUWFJFHSA-N 0 0 407.583 5.284 50 0 HKAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCCc2ccccc21 ZINC000005146485 132303185 /nfs/dbraw/zinc/30/31/85/132303185.db2.gz BGXRSDUILTYNTF-UHFFFAOYSA-N 0 0 407.926 5.238 50 0 HKAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccc(F)cc1F ZINC000005146499 559252573 /nfs/dbraw/zinc/25/25/73/559252573.db2.gz YIWMESHDUWMTOU-UHFFFAOYSA-N 0 0 403.841 5.176 50 0 HKAARN CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c1 ZINC000005146510 559252557 /nfs/dbraw/zinc/25/25/57/559252557.db2.gz VTDNJWVYGKRCBM-UHFFFAOYSA-N 0 0 409.898 5.100 50 0 HKAARN CC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 ZINC000005146511 559252569 /nfs/dbraw/zinc/25/25/69/559252569.db2.gz MSENVTFBLGQCAF-UHFFFAOYSA-N 0 0 409.898 5.100 50 0 HKAARN CCOc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 ZINC000005146515 559252574 /nfs/dbraw/zinc/25/25/74/559252574.db2.gz GZRCHTKRHVPHEA-UHFFFAOYSA-N 0 0 411.914 5.296 50 0 HKAARN CCOc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146518 559252618 /nfs/dbraw/zinc/25/26/18/559252618.db2.gz FPOBVQADDNUZPL-UHFFFAOYSA-N 0 0 411.914 5.296 50 0 HKAARN COc1ccc(C)cc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146535 559252623 /nfs/dbraw/zinc/25/26/23/559252623.db2.gz YYYGEJGCPPHVMG-UHFFFAOYSA-N 0 0 411.914 5.214 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146592 559252669 /nfs/dbraw/zinc/25/26/69/559252669.db2.gz MEPRGPSGILNVSX-KMMQNZHGSA-N 0 0 420.597 5.546 50 0 HKAARN Cc1c(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146601 559252654 /nfs/dbraw/zinc/25/26/54/559252654.db2.gz MEPRGPSGILNVSX-SLFMHBNRSA-N 0 0 420.597 5.546 50 0 HKAARN Cc1c(C[NH2+]CCCSC2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146636 559252625 /nfs/dbraw/zinc/25/26/25/559252625.db2.gz RCQQWFHMKCHEKY-UHFFFAOYSA-N 0 0 414.615 5.397 50 0 HKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(F)(F)F)cc1 ZINC000005146686 559252629 /nfs/dbraw/zinc/25/26/29/559252629.db2.gz AGPHHHMOWKEJOM-UHFFFAOYSA-N 0 0 401.413 5.263 50 0 HKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(C(F)(F)F)c1 ZINC000005146698 559252652 /nfs/dbraw/zinc/25/26/52/559252652.db2.gz COOJIELGLYXRHQ-UHFFFAOYSA-N 0 0 401.413 5.263 50 0 HKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Br)cc1 ZINC000005146703 559252640 /nfs/dbraw/zinc/25/26/40/559252640.db2.gz KPYOJEHBNHARJQ-UHFFFAOYSA-N 0 0 412.312 5.007 50 0 HKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cc(Cl)ccc1Cl ZINC000005146714 559252632 /nfs/dbraw/zinc/25/26/32/559252632.db2.gz LCESYIABGIUGSQ-UHFFFAOYSA-N 0 0 402.306 5.551 50 0 HKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(C)C)cc4)csc3n2)cc1 ZINC000005146856 559252620 /nfs/dbraw/zinc/25/26/20/559252620.db2.gz JKLQHTYFZFRCLC-UHFFFAOYSA-N 0 0 405.523 5.376 50 0 HKAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(Cl)c4)csc3n2)cc1 ZINC000005146880 559252660 /nfs/dbraw/zinc/25/26/60/559252660.db2.gz OVHXRHNWXWQFIV-UHFFFAOYSA-N 0 0 411.914 5.214 50 0 HKAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(Cl)c4C)csc3n2)cc1 ZINC000005146881 559252638 /nfs/dbraw/zinc/25/26/38/559252638.db2.gz KZFPYYRNPHLZIF-UHFFFAOYSA-N 0 0 411.914 5.214 50 0 HKAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1 ZINC000005147000 560624337 /nfs/dbraw/zinc/62/43/37/560624337.db2.gz KMOXOLDOMXAOBW-UHFFFAOYSA-N 0 0 405.523 5.260 50 0 HKAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4OCC)csc3n2)cc1 ZINC000005147003 560624385 /nfs/dbraw/zinc/62/43/85/560624385.db2.gz ANAJBMJTOXENFQ-UHFFFAOYSA-N 0 0 421.522 5.041 50 0 HKAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4cccc(C)c4C)csc3n2)cc1 ZINC000005147015 559252774 /nfs/dbraw/zinc/25/27/74/559252774.db2.gz WZOAOJNDMHCQRW-UHFFFAOYSA-N 0 0 405.523 5.260 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(C)cc3)cn12 ZINC000005147192 559252761 /nfs/dbraw/zinc/25/27/61/559252761.db2.gz WEDSCHOWLAKVFN-UHFFFAOYSA-N 0 0 411.914 5.214 50 0 HKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c(Cl)c1 ZINC000005147338 559252779 /nfs/dbraw/zinc/25/27/79/559252779.db2.gz MQXFLESQHINGEF-UHFFFAOYSA-N 0 0 403.841 5.176 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000005148126 559253033 /nfs/dbraw/zinc/25/30/33/559253033.db2.gz QHSSQHHHBLTUNZ-UHFFFAOYSA-N 0 0 403.301 5.091 50 0 HKAARN COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000005148258 559252963 /nfs/dbraw/zinc/25/29/63/559252963.db2.gz HPUQQMINRDRFDF-UHFFFAOYSA-N 0 0 402.450 5.471 50 0 HKAARN CCc1nc2c3ccccc3oc2c(NCC[C@@H](Cc2ccccc2)c2ccco2)n1 ZINC000005148460 559253095 /nfs/dbraw/zinc/25/30/95/559253095.db2.gz NINGHPNTAPQAKU-IBGZPJMESA-N 0 0 411.505 6.360 50 0 HKAARN CCc1nc2c3ccccc3oc2c(NCC[C@H](Cc2ccccc2)c2ccco2)n1 ZINC000005148465 559253112 /nfs/dbraw/zinc/25/31/12/559253112.db2.gz NINGHPNTAPQAKU-LJQANCHMSA-N 0 0 411.505 6.360 50 0 HKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC ZINC000005148781 559253106 /nfs/dbraw/zinc/25/31/06/559253106.db2.gz IPPSIFHJWORXBT-UHFFFAOYSA-N 0 0 416.477 5.354 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000005148853 559253114 /nfs/dbraw/zinc/25/31/14/559253114.db2.gz NDRIDDXBSUCANJ-UHFFFAOYSA-N 0 0 424.548 5.066 50 0 HKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)c1 ZINC000005149132 559253177 /nfs/dbraw/zinc/25/31/77/559253177.db2.gz UOXCXKYRZANZGY-NRFANRHFSA-N 0 0 406.445 5.091 50 0 HKAARN Cc1cccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)c1 ZINC000005149137 559253156 /nfs/dbraw/zinc/25/31/56/559253156.db2.gz UOXCXKYRZANZGY-OAQYLSRUSA-N 0 0 406.445 5.091 50 0 HKAARN CCCCCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000005149474 559253296 /nfs/dbraw/zinc/25/32/96/559253296.db2.gz UBXIWIJQNMKRDV-UHFFFAOYSA-N 0 0 422.916 5.215 50 0 HKAARN CCOc1ccc(CCNC(=O)c2cc3oc4ccccc4c3n2CC)cc1OCC ZINC000005149929 559252006 /nfs/dbraw/zinc/25/20/06/559252006.db2.gz JTZHUTKFECGULC-UHFFFAOYSA-N 0 0 420.509 5.177 50 0 HKAARN Cc1ccc(C)c(OCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)c1C ZINC000005150080 559252108 /nfs/dbraw/zinc/25/21/08/559252108.db2.gz VTNCITVJWCRSLO-UHFFFAOYSA-N 0 0 418.924 5.721 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000005150083 559252154 /nfs/dbraw/zinc/25/21/54/559252154.db2.gz QJZDLKHYCOZPOP-LADGPHEKSA-N 0 0 402.519 5.659 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1 ZINC000005150085 559252152 /nfs/dbraw/zinc/25/21/52/559252152.db2.gz QJZDLKHYCOZPOP-ISKFKSNPSA-N 0 0 402.519 5.659 50 0 HKAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000005150448 559252126 /nfs/dbraw/zinc/25/21/26/559252126.db2.gz OQNMLYQODCWVAC-OAQYLSRUSA-N 0 0 416.864 5.154 50 0 HKAARN CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000005150452 559252118 /nfs/dbraw/zinc/25/21/18/559252118.db2.gz OQNMLYQODCWVAC-NRFANRHFSA-N 0 0 416.864 5.154 50 0 HKAARN CCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1C ZINC000005150534 559253462 /nfs/dbraw/zinc/25/34/62/559253462.db2.gz LFRBSPHKRWLATI-UHFFFAOYSA-N 0 0 411.548 5.068 50 0 HKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2ccc(C(C)(C)C)cc21 ZINC000005150542 559253445 /nfs/dbraw/zinc/25/34/45/559253445.db2.gz KYORAOSWJHCJSW-UHFFFAOYSA-N 0 0 411.295 6.575 50 0 HKAARN CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1C ZINC000005150560 559253482 /nfs/dbraw/zinc/25/34/82/559253482.db2.gz HURQSKKFWDSVSM-UHFFFAOYSA-N 0 0 413.995 7.039 50 0 HKAARN CCc1ccc(N(CC)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cc1 ZINC000005150562 559253470 /nfs/dbraw/zinc/25/34/70/559253470.db2.gz SRADFQLERPKIOP-UHFFFAOYSA-N 0 0 413.995 6.903 50 0 HKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1cccc(Cl)c1 ZINC000005150564 559253453 /nfs/dbraw/zinc/25/34/53/559253453.db2.gz FENNODXJFVBRAB-UHFFFAOYSA-N 0 0 406.359 6.604 50 0 HKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1Cl ZINC000005150567 559253516 /nfs/dbraw/zinc/25/35/16/559253516.db2.gz GCJUJQOXSSCNED-UHFFFAOYSA-N 0 0 406.359 6.604 50 0 HKAARN Cc1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c(Cl)c1 ZINC000005150569 559253451 /nfs/dbraw/zinc/25/34/51/559253451.db2.gz MZEXBJOZHHRWET-UHFFFAOYSA-N 0 0 406.359 6.888 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000005150580 559253632 /nfs/dbraw/zinc/25/36/32/559253632.db2.gz ITJGPURDCIUTHZ-UHFFFAOYSA-N 0 0 406.359 6.258 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(Cl)cc3)c(C)c12 ZINC000005150597 559253596 /nfs/dbraw/zinc/25/35/96/559253596.db2.gz BWPKAGAVTWSMQG-UHFFFAOYSA-N 0 0 418.928 5.570 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC3CCCCCC3)c(C)c12 ZINC000005150600 559253638 /nfs/dbraw/zinc/25/36/38/559253638.db2.gz TWXSWNUFHVTZLX-UHFFFAOYSA-N 0 0 404.558 5.117 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(F)cc3F)c(C)c12 ZINC000005150603 559253604 /nfs/dbraw/zinc/25/36/04/559253604.db2.gz KPFAFDDODPVFCY-UHFFFAOYSA-N 0 0 420.463 5.195 50 0 HKAARN CCc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000005150608 559253643 /nfs/dbraw/zinc/25/36/43/559253643.db2.gz PDHDSFBNCJGHOU-UHFFFAOYSA-N 0 0 412.537 5.479 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c(C)c12 ZINC000005150611 559253646 /nfs/dbraw/zinc/25/36/46/559253646.db2.gz YPYGRQGHISWNOQ-UHFFFAOYSA-N 0 0 402.473 5.056 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3C)c(C)c12 ZINC000005150631 559253599 /nfs/dbraw/zinc/25/35/99/559253599.db2.gz XBQTUVMTUVKGRS-UHFFFAOYSA-N 0 0 412.537 5.534 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(C)c12 ZINC000005150652 559253611 /nfs/dbraw/zinc/25/36/11/559253611.db2.gz FIGDFDAPXSXEBK-SFHVURJKSA-N 0 0 412.537 5.156 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(C)c12 ZINC000005150654 559253631 /nfs/dbraw/zinc/25/36/31/559253631.db2.gz FIGDFDAPXSXEBK-GOSISDBHSA-N 0 0 412.537 5.156 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(C)c12 ZINC000005150667 559253642 /nfs/dbraw/zinc/25/36/42/559253642.db2.gz JAACVUPEHOLHQJ-UHFFFAOYSA-N 0 0 412.537 5.534 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(C)c12 ZINC000005150680 559253602 /nfs/dbraw/zinc/25/36/02/559253602.db2.gz JTVIIFIYXCGUDA-UHFFFAOYSA-N 0 0 412.537 5.534 50 0 HKAARN CCc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)c1 ZINC000005150695 559253637 /nfs/dbraw/zinc/25/36/37/559253637.db2.gz JLLYVVMVFZKTSW-UHFFFAOYSA-N 0 0 412.537 5.479 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3cc(F)ccc3F)c(C)c12 ZINC000005150721 559253633 /nfs/dbraw/zinc/25/36/33/559253633.db2.gz QAWRAHMVUBYETA-UHFFFAOYSA-N 0 0 420.463 5.195 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)cc1 ZINC000005150723 559253625 /nfs/dbraw/zinc/25/36/25/559253625.db2.gz YSENFXCHPBBMMV-UHFFFAOYSA-N 0 0 406.507 5.593 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c(C)c12 ZINC000005150735 559253629 /nfs/dbraw/zinc/25/36/29/559253629.db2.gz GRVOWYXEUQPOSX-UHFFFAOYSA-N 0 0 416.500 5.365 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)c12 ZINC000005150748 559253729 /nfs/dbraw/zinc/25/37/29/559253729.db2.gz CVOIXCRXSKUFIL-UHFFFAOYSA-N 0 0 416.569 5.285 50 0 HKAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2ccc(C)c(Cl)c2)c3C)n1 ZINC000005151004 559253810 /nfs/dbraw/zinc/25/38/10/559253810.db2.gz FEUPILDNFOFOIB-UHFFFAOYSA-N 0 0 421.932 5.044 50 0 HKAARN CCOc1ccc2nc(NC(=O)C[C@@H](c3ccc(OC)cc3)n3cccc3)sc2c1 ZINC000005151166 559253813 /nfs/dbraw/zinc/25/38/13/559253813.db2.gz LQHHCOMPRLAEIQ-FQEVSTJZSA-N 0 0 421.522 5.123 50 0 HKAARN CCOc1ccc2nc(NC(=O)C[C@H](c3ccc(OC)cc3)n3cccc3)sc2c1 ZINC000005151168 559253808 /nfs/dbraw/zinc/25/38/08/559253808.db2.gz LQHHCOMPRLAEIQ-HXUWFJFHSA-N 0 0 421.522 5.123 50 0 HKAARN CCCCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000005151852 559253988 /nfs/dbraw/zinc/25/39/88/559253988.db2.gz ALXKBKHRSPCCMK-UHFFFAOYSA-N 0 0 406.574 5.283 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NC3CCCCCC3)c(C)c12 ZINC000005151953 559254006 /nfs/dbraw/zinc/25/40/06/559254006.db2.gz AFJDIYRVHRLEON-UHFFFAOYSA-N 0 0 418.585 5.426 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NC3CCCCC3)c(C)c12 ZINC000005151955 559253982 /nfs/dbraw/zinc/25/39/82/559253982.db2.gz FQBWJRPTOKLABH-UHFFFAOYSA-N 0 0 404.558 5.036 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3C[C@H](C)C[C@H](C)C3)c(C)c12 ZINC000005151999 559254022 /nfs/dbraw/zinc/25/40/22/559254022.db2.gz ANNBCGZELAGGFC-HDICACEKSA-N 0 0 418.585 5.091 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3C[C@@H](C)C[C@H](C)C3)c(C)c12 ZINC000005152001 559253980 /nfs/dbraw/zinc/25/39/80/559253980.db2.gz ANNBCGZELAGGFC-ROUUACIJSA-N 0 0 418.585 5.091 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3C[C@H](C)C[C@@H](C)C3)c(C)c12 ZINC000005152003 559253990 /nfs/dbraw/zinc/25/39/90/559253990.db2.gz ANNBCGZELAGGFC-QZTJIDSGSA-N 0 0 418.585 5.091 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3)c(C)c12 ZINC000005152015 559254033 /nfs/dbraw/zinc/25/40/33/559254033.db2.gz XLGOFEJOWILADD-UHFFFAOYSA-N 0 0 412.537 5.534 50 0 HKAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C ZINC000005152047 559254145 /nfs/dbraw/zinc/25/41/45/559254145.db2.gz XXZAGMYHJMLCLD-IBGZPJMESA-N 0 0 407.583 5.942 50 0 HKAARN Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C ZINC000005152048 568454429 /nfs/dbraw/zinc/45/44/29/568454429.db2.gz XXZAGMYHJMLCLD-LJQANCHMSA-N 0 0 407.583 5.942 50 0 HKAARN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)Nc3ccccc3)CCC[C@@]21C ZINC000005152286 559254140 /nfs/dbraw/zinc/25/41/40/559254140.db2.gz YZEYNPFQLPXVOR-STXQHDJLSA-N 0 0 404.598 6.642 50 0 biogenic HKAARN COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2cc(C)c(C)cc2s1 ZINC000005152714 559254124 /nfs/dbraw/zinc/25/41/24/559254124.db2.gz QCBHDMSYVWZVBC-UHFFFAOYSA-N 0 0 403.507 5.164 50 0 HKAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000005152763 559254142 /nfs/dbraw/zinc/25/41/42/559254142.db2.gz IDRRGTSFFRWANB-IBGZPJMESA-N 0 0 401.293 5.120 50 0 HKAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000005152764 559254143 /nfs/dbraw/zinc/25/41/43/559254143.db2.gz IDRRGTSFFRWANB-LJQANCHMSA-N 0 0 401.293 5.120 50 0 HKAARN CCCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 ZINC000005155892 559258381 /nfs/dbraw/zinc/25/83/81/559258381.db2.gz SEYAFQAIJJRIII-UHFFFAOYSA-N 0 0 422.598 5.826 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)c1 ZINC000005155963 559258395 /nfs/dbraw/zinc/25/83/95/559258395.db2.gz XFUATOVUHIHQIZ-UHFFFAOYSA-N 0 0 408.326 6.127 50 0 aggregator HKAARN CCCCCOC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc21 ZINC000005155984 559258053 /nfs/dbraw/zinc/25/80/53/559258053.db2.gz JXRBEPCMYYIZSW-UHFFFAOYSA-N 0 0 422.916 5.465 50 0 HKAARN Fc1ccc(-n2nc(SCc3coc(-c4cccs4)n3)sc2=S)cc1 ZINC000005156046 559258291 /nfs/dbraw/zinc/25/82/91/559258291.db2.gz IZALGOQNGIZZOE-UHFFFAOYSA-N 0 0 407.542 5.811 50 0 HKAARN CCCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000005156050 559258261 /nfs/dbraw/zinc/25/82/61/559258261.db2.gz AJHKQPVQPDCCRZ-UHFFFAOYSA-N 0 0 422.916 5.215 50 0 HKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1O ZINC000005156140 559258727 /nfs/dbraw/zinc/25/87/27/559258727.db2.gz HBFSOQWZFRLBCQ-UHFFFAOYSA-N 0 0 400.478 5.654 50 0 HKAARN CCCc1nc2sc3c(nc(SC)nc3N3CCCC[C@@H]3C)c2c2c1CCC2 ZINC000005156236 132303509 /nfs/dbraw/zinc/30/35/09/132303509.db2.gz QOPUXMXLJZFGLT-ZDUSSCGKSA-N 0 0 412.628 5.781 50 0 HKAARN CCCc1nc2sc3c(nc(SC)nc3N3CCCC[C@H]3C)c2c2c1CCC2 ZINC000005156239 132303503 /nfs/dbraw/zinc/30/35/03/132303503.db2.gz QOPUXMXLJZFGLT-CYBMUJFWSA-N 0 0 412.628 5.781 50 0 HKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 ZINC000005156439 559258890 /nfs/dbraw/zinc/25/88/90/559258890.db2.gz VKWRFOICYDVFJO-QWDXWUACSA-N 0 0 407.517 5.579 50 0 HKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 ZINC000005156440 559258928 /nfs/dbraw/zinc/25/89/28/559258928.db2.gz VKWRFOICYDVFJO-UBQCRTFRSA-N 0 0 407.517 5.579 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)c1 ZINC000005156527 559260602 /nfs/dbraw/zinc/26/06/02/559260602.db2.gz TWIFJXDMAOHZMO-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)c1 ZINC000005156528 559260629 /nfs/dbraw/zinc/26/06/29/559260629.db2.gz TWIFJXDMAOHZMO-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN Cc1ccc(Cl)cc1-n1ncc2c3nc(-c4ccc(C(C)(C)C)cc4)nn3cnc21 ZINC000005156554 559260637 /nfs/dbraw/zinc/26/06/37/559260637.db2.gz VNSBZWVTZCVZKQ-UHFFFAOYSA-N 0 0 416.916 5.390 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3N3CCCC[C@H]3C)c2c2c1COC(C)(C)C2 ZINC000005156651 132303453 /nfs/dbraw/zinc/30/34/53/132303453.db2.gz BKZQHRDZQZWNRK-OAHLLOKOSA-N 0 0 424.614 5.668 50 0 HKAARN CC(C)Cc1nc2sc3c(ncnc3N3CCCC[C@@H]3C)c2c2c1COC(C)(C)C2 ZINC000005156656 132303424 /nfs/dbraw/zinc/30/34/24/132303424.db2.gz BKZQHRDZQZWNRK-HNNXBMFYSA-N 0 0 424.614 5.668 50 0 HKAARN COc1ccc(NC(=O)CSc2nc(C)nc3c4ccccc4oc32)cc1Cl ZINC000005156869 559261913 /nfs/dbraw/zinc/26/19/13/559261913.db2.gz BMINPGOUBLALCD-UHFFFAOYSA-N 0 0 413.886 5.077 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn32)cc1 ZINC000005156936 559261614 /nfs/dbraw/zinc/26/16/14/559261614.db2.gz ZDHYACVVMXGKBT-UHFFFAOYSA-N 0 0 402.889 5.081 50 0 HKAARN CCC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(OC)cc1)n3CCCC2 ZINC000005157542 559264911 /nfs/dbraw/zinc/26/49/11/559264911.db2.gz GENACSMTTQYCBF-UHFFFAOYSA-N 0 0 412.533 6.321 50 0 HKAARN COc1ccc2[nH]cc(C(=O)CSc3nc(C)nc4c5ccccc5oc43)c2c1 ZINC000005157776 559264913 /nfs/dbraw/zinc/26/49/13/559264913.db2.gz KDIZJRYKHTXNEQ-UHFFFAOYSA-N 0 0 403.463 5.149 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2cccnc2)n1)CC(C)(C)OC3 ZINC000005157790 559264904 /nfs/dbraw/zinc/26/49/04/559264904.db2.gz MBZKIZASVFWYCM-UHFFFAOYSA-N 0 0 400.573 5.052 50 0 HKAARN Cc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1Cl ZINC000005158043 132303419 /nfs/dbraw/zinc/30/34/19/132303419.db2.gz JQSORFGTMMNQFA-UHFFFAOYSA-N 0 0 416.304 5.644 50 0 HKAARN O=C(Nc1ccccc1N1CCCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000005158164 559265138 /nfs/dbraw/zinc/26/51/38/559265138.db2.gz VUJKZSAGNSGRFG-UHFFFAOYSA-N 0 0 410.473 5.313 50 0 HKAARN Cc1ccc(-n2ncc3c4nc(-c5ccc(Cl)c(Cl)c5)nn4cnc32)c(C)c1 ZINC000005158268 559265108 /nfs/dbraw/zinc/26/51/08/559265108.db2.gz CQMDFOIFQBOIDU-UHFFFAOYSA-N 0 0 409.280 5.054 50 0 HKAARN C[C@H](Nc1ccccc1)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005160709 559273804 /nfs/dbraw/zinc/27/38/04/559273804.db2.gz RJOCGTBCVRCQJS-USCONSEESA-N 0 0 404.897 5.114 50 0 HKAARN C[C@H](Nc1ccccc1)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005160755 559273893 /nfs/dbraw/zinc/27/38/93/559273893.db2.gz RJOCGTBCVRCQJS-SSKFGXFMSA-N 0 0 404.897 5.114 50 0 HKAARN COCCCNc1nc(SC)nc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000005163245 559275346 /nfs/dbraw/zinc/27/53/46/559275346.db2.gz UFUGGCMROGKBBD-UHFFFAOYSA-N 0 0 402.589 5.022 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005163386 559275474 /nfs/dbraw/zinc/27/54/74/559275474.db2.gz LVLIJHPPBVVOJP-GBXCKJPGSA-N 0 0 418.880 5.619 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005163388 559275467 /nfs/dbraw/zinc/27/54/67/559275467.db2.gz LVLIJHPPBVVOJP-RDPSFJRHSA-N 0 0 418.880 5.619 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(C)c4)=NN32)cc1OC ZINC000005163606 559275493 /nfs/dbraw/zinc/27/54/93/559275493.db2.gz LLRGKPJWNBLBNQ-SQJMNOBHSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(C)c4)=NN32)cc1OC ZINC000005163608 559275431 /nfs/dbraw/zinc/27/54/31/559275431.db2.gz LLRGKPJWNBLBNQ-PXDATVDWSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1O ZINC000005163669 559275596 /nfs/dbraw/zinc/27/55/96/559275596.db2.gz SJPFVXDWTKDLOD-UHFFFAOYSA-N 0 0 406.869 5.690 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005163714 559275579 /nfs/dbraw/zinc/27/55/79/559275579.db2.gz QNIRSIRURLBZAG-CVDCTZTESA-N 0 0 404.853 5.311 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005163716 559275576 /nfs/dbraw/zinc/27/55/76/559275576.db2.gz QNIRSIRURLBZAG-XXBNENTESA-N 0 0 404.853 5.311 50 0 HKAARN C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000005163748 557638540 /nfs/dbraw/zinc/63/85/40/557638540.db2.gz XLAGODFVKWSRES-OWFXSXJRSA-N 0 0 408.394 6.543 50 0 HKAARN C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000005163750 557638506 /nfs/dbraw/zinc/63/85/06/557638506.db2.gz XLAGODFVKWSRES-TWSLPJAOSA-N 0 0 408.394 6.543 50 0 HKAARN Brc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 ZINC000005163821 559275457 /nfs/dbraw/zinc/27/54/57/559275457.db2.gz WXUWYNJPIHGOLC-FPOVZHCZSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 ZINC000005163822 559275604 /nfs/dbraw/zinc/27/56/04/559275604.db2.gz WXUWYNJPIHGOLC-CTNGQTDRSA-N 0 0 406.283 5.086 50 0 HKAARN CCc1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 ZINC000005164045 559275698 /nfs/dbraw/zinc/27/56/98/559275698.db2.gz DJAFVOQDPORDJY-UYRXBGFRSA-N 0 0 411.379 5.872 50 0 HKAARN COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000005164064 559275735 /nfs/dbraw/zinc/27/57/35/559275735.db2.gz IBBWDJWZWHBYRR-UHFFFAOYSA-N 0 0 416.477 5.779 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005164201 560201060 /nfs/dbraw/zinc/20/10/60/560201060.db2.gz ZNMDYRBJLIGPMV-IBEVICDGSA-N 0 0 421.556 5.857 50 0 biogenic,in-vitro HKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005164205 560201111 /nfs/dbraw/zinc/20/11/11/560201111.db2.gz ZNMDYRBJLIGPMV-SZIWGIQXSA-N 0 0 421.556 5.857 50 0 biogenic,in-vitro HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O ZINC000005164255 559275815 /nfs/dbraw/zinc/27/58/15/559275815.db2.gz KGAXAIYACQXVNW-FQEVSTJZSA-N 0 0 405.837 5.093 50 0 HKAARN COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000005164267 559275792 /nfs/dbraw/zinc/27/57/92/559275792.db2.gz ANAXXZLVTNTMKS-UHFFFAOYSA-N 0 0 402.450 5.471 50 0 HKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000005164413 559275931 /nfs/dbraw/zinc/27/59/31/559275931.db2.gz RLMIZMYMVOPERF-XUZZJYLKSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000005164414 559275904 /nfs/dbraw/zinc/27/59/04/559275904.db2.gz RLMIZMYMVOPERF-ZJSXRUAMSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000005164484 559275759 /nfs/dbraw/zinc/27/57/59/559275759.db2.gz HDZQMXRUMGXYLG-UHFFFAOYSA-N 0 0 406.865 6.009 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000005164535 559276610 /nfs/dbraw/zinc/27/66/10/559276610.db2.gz ZULZDMOXEVFFSM-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000005164537 559276697 /nfs/dbraw/zinc/27/66/97/559276697.db2.gz ZULZDMOXEVFFSM-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 ZINC000005164678 559276803 /nfs/dbraw/zinc/27/68/03/559276803.db2.gz DDIMIOYMRNEKPO-UHFFFAOYSA-N 0 0 406.869 5.690 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC ZINC000005164679 559276776 /nfs/dbraw/zinc/27/67/76/559276776.db2.gz FQXYBGMRESVFEY-BKMJKUGQSA-N 0 0 414.505 5.563 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC ZINC000005164680 559276788 /nfs/dbraw/zinc/27/67/88/559276788.db2.gz FQXYBGMRESVFEY-ATIYNZHBSA-N 0 0 414.505 5.563 50 0 HKAARN CC(C)Sc1nc2sc3c(c2c(NCCc2ccccc2)n1)CC(C)(C)OC3 ZINC000005164799 559276937 /nfs/dbraw/zinc/27/69/37/559276937.db2.gz HYOVDGHDVMCPBV-UHFFFAOYSA-N 0 0 413.612 5.698 50 0 HKAARN c1ccc(-c2nc3c4ccccc4oc3c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000005164952 132303671 /nfs/dbraw/zinc/30/36/71/132303671.db2.gz KUZIOILYFVNKHN-UHFFFAOYSA-N 0 0 406.489 5.370 50 0 HKAARN O=C(OCc1ccccc1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000005165193 559278650 /nfs/dbraw/zinc/27/86/50/559278650.db2.gz MVSGOROJTXWLIM-XIEYBQDHSA-N 0 0 407.469 5.354 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC ZINC000005165289 560624808 /nfs/dbraw/zinc/62/48/08/560624808.db2.gz PBNYSYJKIPBZDR-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000005165444 559279367 /nfs/dbraw/zinc/27/93/67/559279367.db2.gz AXZAUOIBRFKPIV-UHFFFAOYSA-N 0 0 414.530 6.978 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000005165454 559279520 /nfs/dbraw/zinc/27/95/20/559279520.db2.gz SHVWXTQINSCTGH-UHFFFAOYSA-N 0 0 400.503 6.417 50 0 HKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc(Cl)c1 ZINC000005165459 559279543 /nfs/dbraw/zinc/27/95/43/559279543.db2.gz VHPNJAHLAXXTCA-UHFFFAOYSA-N 0 0 406.894 6.508 50 0 HKAARN CCCCCC1CCC(c2ccc(C(=O)CC34CCC(CC)(CC3)CC4)cc2)CC1 ZINC000005165808 559281263 /nfs/dbraw/zinc/28/12/63/559281263.db2.gz IDDDPMVRONHESU-UHFFFAOYSA-N 0 0 408.670 8.864 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000005165846 559281356 /nfs/dbraw/zinc/28/13/56/559281356.db2.gz GONVWAOKSANLRP-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3ccc(OC)c(F)c3)nc(=O)c12 ZINC000005165856 559281401 /nfs/dbraw/zinc/28/14/01/559281401.db2.gz MYHXGSYNFQJLAR-LLVKDONJSA-N 0 0 406.548 5.322 50 0 HKAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3ccc(OC)c(F)c3)nc(=O)c12 ZINC000005165858 559281377 /nfs/dbraw/zinc/28/13/77/559281377.db2.gz MYHXGSYNFQJLAR-NSHDSACASA-N 0 0 406.548 5.322 50 0 HKAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005165865 559281384 /nfs/dbraw/zinc/28/13/84/559281384.db2.gz KDFPVILOKQPCPA-VCHYOVAHSA-N 0 0 402.903 5.153 50 0 HKAARN O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccc2ccccc21 ZINC000005165916 557638526 /nfs/dbraw/zinc/63/85/26/557638526.db2.gz ABCNVTTXVMSXMA-UHFFFAOYSA-N 0 0 412.876 6.478 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c(C)c1 ZINC000005165922 559281301 /nfs/dbraw/zinc/28/13/01/559281301.db2.gz WCYGWCKLZZCONB-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccc(F)c1 ZINC000005165924 559281345 /nfs/dbraw/zinc/28/13/45/559281345.db2.gz LEKIMVLOFKQGKO-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000005168937 559287152 /nfs/dbraw/zinc/28/71/52/559287152.db2.gz RYMKLZLZYICCFT-UHFFFAOYSA-N 0 0 411.490 5.081 50 0 HKAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)C1CCCCC1 ZINC000005168945 559287194 /nfs/dbraw/zinc/28/71/94/559287194.db2.gz CCCZNXBAYBOBES-UHFFFAOYSA-N 0 0 403.511 5.039 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OC ZINC000005169332 559287273 /nfs/dbraw/zinc/28/72/73/559287273.db2.gz NHGPXQZTIMYJLB-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1OC ZINC000005169352 559287267 /nfs/dbraw/zinc/28/72/67/559287267.db2.gz FEPTYJLZIWWFII-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1OC ZINC000005169371 559287328 /nfs/dbraw/zinc/28/73/28/559287328.db2.gz QLQFKZPGSVILPK-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC ZINC000005169429 559287287 /nfs/dbraw/zinc/28/72/87/559287287.db2.gz PSQQUJHELZBPQG-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN CCOc1ccc(-c2nnc(SCc3csc(-c4ccc(C)cc4)n3)o2)cc1 ZINC000005170116 559287486 /nfs/dbraw/zinc/28/74/86/559287486.db2.gz MEYDFKRPOTWCOO-UHFFFAOYSA-N 0 0 409.536 5.860 50 0 HKAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc43)o2)cc1 ZINC000005170175 559287521 /nfs/dbraw/zinc/28/75/21/559287521.db2.gz QDIPTHXKQOIIBL-AWEZNQCLSA-N 0 0 407.495 5.289 50 0 HKAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc43)o2)cc1 ZINC000005170177 559287481 /nfs/dbraw/zinc/28/74/81/559287481.db2.gz QDIPTHXKQOIIBL-CQSZACIVSA-N 0 0 407.495 5.289 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 ZINC000005170551 559287613 /nfs/dbraw/zinc/28/76/13/559287613.db2.gz NBKCGKKKSHOFNQ-ZIAGYGMSSA-N 0 0 415.946 6.023 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 ZINC000005170554 559287627 /nfs/dbraw/zinc/28/76/27/559287627.db2.gz NBKCGKKKSHOFNQ-UONOGXRCSA-N 0 0 415.946 6.023 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 ZINC000005170557 559287622 /nfs/dbraw/zinc/28/76/22/559287622.db2.gz NBKCGKKKSHOFNQ-KGLIPLIRSA-N 0 0 415.946 6.023 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 ZINC000005170560 559287621 /nfs/dbraw/zinc/28/76/21/559287621.db2.gz NBKCGKKKSHOFNQ-KBPBESRZSA-N 0 0 415.946 6.023 50 0 HKAARN Cc1cc(C)cc(C[C@@H](C)CC(=O)Nc2ccccc2I)c1 ZINC000005170696 559287609 /nfs/dbraw/zinc/28/76/09/559287609.db2.gz OWDQBAAYJOFLEB-OAHLLOKOSA-N 0 0 407.295 5.115 50 0 HKAARN Cc1cc(C)cc(C[C@H](C)CC(=O)Nc2ccccc2I)c1 ZINC000005170700 559287604 /nfs/dbraw/zinc/28/76/04/559287604.db2.gz OWDQBAAYJOFLEB-HNNXBMFYSA-N 0 0 407.295 5.115 50 0 HKAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000005170737 559287614 /nfs/dbraw/zinc/28/76/14/559287614.db2.gz AHZBEUYMQWDHTQ-UHFFFAOYSA-N 0 0 404.882 5.745 50 0 HKAARN C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 ZINC000005170738 559287618 /nfs/dbraw/zinc/28/76/18/559287618.db2.gz ROBLBVVAAYOKQY-NSHDSACASA-N 0 0 408.310 5.013 50 0 HKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 ZINC000005170742 559287620 /nfs/dbraw/zinc/28/76/20/559287620.db2.gz ROBLBVVAAYOKQY-LLVKDONJSA-N 0 0 408.310 5.013 50 0 HKAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(C(C)(C)C)cc3)o2)c(OC)c1 ZINC000005170848 559287636 /nfs/dbraw/zinc/28/76/36/559287636.db2.gz AKPPSRRWCHIKJC-UHFFFAOYSA-N 0 0 412.511 5.026 50 0 HKAARN COc1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)c(OC)c1 ZINC000005170921 559287638 /nfs/dbraw/zinc/28/76/38/559287638.db2.gz VAKRFKIUBWSVIC-UHFFFAOYSA-N 0 0 404.491 5.636 50 0 HKAARN Cc1ccc(-c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)cc1 ZINC000005170941 559287606 /nfs/dbraw/zinc/28/76/06/559287606.db2.gz JCQSQLKUIOUGTR-UHFFFAOYSA-N 0 0 402.306 5.184 50 0 HKAARN O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2ccccc2c1 ZINC000005171515 559287766 /nfs/dbraw/zinc/28/77/66/559287766.db2.gz XQFVTYFQPPMFBI-UHFFFAOYSA-N 0 0 412.470 5.162 50 0 HKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000005171516 559287764 /nfs/dbraw/zinc/28/77/64/559287764.db2.gz GYZRDDLXXUQUHG-UHFFFAOYSA-N 0 0 408.461 5.225 50 0 HKAARN CCCOC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCC ZINC000005171856 559287762 /nfs/dbraw/zinc/28/77/62/559287762.db2.gz JCNBWVZIIFPUMM-MHZLTWQESA-N 0 0 418.577 6.217 50 0 HKAARN CCCOC[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCC ZINC000005171859 559287739 /nfs/dbraw/zinc/28/77/39/559287739.db2.gz JCNBWVZIIFPUMM-HHHXNRCGSA-N 0 0 418.577 6.217 50 0 HKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4cccc(OCC)c4)ccc3o2)cc1 ZINC000005172312 559287834 /nfs/dbraw/zinc/28/78/34/559287834.db2.gz VZXUMYNYFIBEOD-UHFFFAOYSA-N 0 0 402.450 5.545 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000005172361 559287852 /nfs/dbraw/zinc/28/78/52/559287852.db2.gz QSFJCQVSVKQSGU-UHFFFAOYSA-N 0 0 412.420 6.048 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000005172378 559287856 /nfs/dbraw/zinc/28/78/56/559287856.db2.gz KPPYCGAPWSPUGO-UHFFFAOYSA-N 0 0 410.498 6.377 50 0 HKAARN CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005172419 559287860 /nfs/dbraw/zinc/28/78/60/559287860.db2.gz IKOXJRSVVFLNAR-RQZCQDPDSA-N 0 0 404.944 5.476 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000005172610 559287914 /nfs/dbraw/zinc/28/79/14/559287914.db2.gz ABHDNLLRFQCCHJ-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC(=O)N2 ZINC000005172623 559287833 /nfs/dbraw/zinc/28/78/33/559287833.db2.gz HZCWOJIEKZSCHO-DFFJHKNISA-N 0 0 414.549 5.082 50 0 biogenic HKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC(=O)N2 ZINC000005172626 559287910 /nfs/dbraw/zinc/28/79/10/559287910.db2.gz HZCWOJIEKZSCHO-GUMMOOENSA-N 0 0 414.549 5.082 50 0 biogenic HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000005173228 559288136 /nfs/dbraw/zinc/28/81/36/559288136.db2.gz QKPCYCZGCQUOIU-UHFFFAOYSA-N 0 0 402.450 5.545 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1 ZINC000005173231 557638677 /nfs/dbraw/zinc/63/86/77/557638677.db2.gz BCKYTLOCGIPOOL-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000005173234 559288122 /nfs/dbraw/zinc/28/81/22/559288122.db2.gz PKQYUPINHAVCCL-UHFFFAOYSA-N 0 0 408.885 5.633 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005173237 559288113 /nfs/dbraw/zinc/28/81/13/559288113.db2.gz BNYZQXKVJJOWDA-UHFFFAOYSA-N 0 0 408.885 5.633 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000005173248 559288134 /nfs/dbraw/zinc/28/81/34/559288134.db2.gz BEQBZTAXYCFQKT-UHFFFAOYSA-N 0 0 406.869 6.189 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1 ZINC000005173262 559288115 /nfs/dbraw/zinc/28/81/15/559288115.db2.gz ZYWBGMXOEMERAR-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000005173264 559288132 /nfs/dbraw/zinc/28/81/32/559288132.db2.gz KBSCAOCMYIXZBD-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000005173268 559288152 /nfs/dbraw/zinc/28/81/52/559288152.db2.gz AAPNPWPAQMKFRX-UHFFFAOYSA-N 0 0 406.869 6.189 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1 ZINC000005173275 559288167 /nfs/dbraw/zinc/28/81/67/559288167.db2.gz QCJUTHRRZHRTBH-UHFFFAOYSA-N 0 0 406.873 5.115 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccc3ccccc3c2)ccc1Cl)c1ccccc1 ZINC000005173373 559288126 /nfs/dbraw/zinc/28/81/26/559288126.db2.gz CMTJAZIKDINYKA-UHFFFAOYSA-N 0 0 400.865 5.998 50 0 HKAARN Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000005174171 559288368 /nfs/dbraw/zinc/28/83/68/559288368.db2.gz DLEDWBZCCLCHRZ-YBFXNURJSA-N 0 0 400.931 5.878 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3cccc(OCCC(C)C)c3)ccc2o1 ZINC000005174194 559288404 /nfs/dbraw/zinc/28/84/04/559288404.db2.gz QKFJSBNJLQCIOG-UHFFFAOYSA-N 0 0 414.505 6.480 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccccc1F ZINC000005174200 559288418 /nfs/dbraw/zinc/28/84/18/559288418.db2.gz OXKUJBVWFFWXJB-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000005174278 557638755 /nfs/dbraw/zinc/63/87/55/557638755.db2.gz XDXHLNOZUHROHB-UHFFFAOYSA-N 0 0 406.913 6.142 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000005174290 559288579 /nfs/dbraw/zinc/28/85/79/559288579.db2.gz AJYBWXVOJCIUBH-UHFFFAOYSA-N 0 0 422.528 6.642 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000005174505 557638649 /nfs/dbraw/zinc/63/86/49/557638649.db2.gz MVRCSBAJQHDODY-UHFFFAOYSA-N 0 0 409.514 5.996 50 0 HKAARN C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005175081 559288674 /nfs/dbraw/zinc/28/86/74/559288674.db2.gz WJDAKERNYBWACY-SFHVURJKSA-N 0 0 413.546 5.873 50 0 HKAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005175082 559288639 /nfs/dbraw/zinc/28/86/39/559288639.db2.gz WJDAKERNYBWACY-GOSISDBHSA-N 0 0 413.546 5.873 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1nc(-c2ccc(F)cc2)cs1 ZINC000005175292 559288672 /nfs/dbraw/zinc/28/86/72/559288672.db2.gz WUXKFWKVLZWJEA-UHFFFAOYSA-N 0 0 402.244 5.485 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000005175570 557638928 /nfs/dbraw/zinc/63/89/28/557638928.db2.gz IQHQQLMVXUFGSJ-UHFFFAOYSA-N 0 0 408.354 5.667 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2Br)s1)Nc1cccc(Cl)c1 ZINC000005175572 559288555 /nfs/dbraw/zinc/28/85/55/559288555.db2.gz ATSHHHSNPQLIOH-UHFFFAOYSA-N 0 0 409.696 5.265 50 0 HKAARN CCc1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 ZINC000005175600 559288536 /nfs/dbraw/zinc/28/85/36/559288536.db2.gz BPURJFYOEGGXPZ-UHFFFAOYSA-N 0 0 420.896 6.037 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000005175619 559288563 /nfs/dbraw/zinc/28/85/63/559288563.db2.gz DDFGQKRSEZXOEB-UHFFFAOYSA-N 0 0 412.533 6.915 50 0 HKAARN Cc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1C ZINC000005176020 559288676 /nfs/dbraw/zinc/28/86/76/559288676.db2.gz OMXFQPYGKWENKG-UHFFFAOYSA-N 0 0 405.545 5.150 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000005176028 559288643 /nfs/dbraw/zinc/28/86/43/559288643.db2.gz XITUDJMZOBNESN-UHFFFAOYSA-N 0 0 405.545 5.150 50 0 HKAARN O=C(NCc1cccs1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000005176180 559288779 /nfs/dbraw/zinc/28/87/79/559288779.db2.gz BZNHZYRTHXAOCI-UHFFFAOYSA-N 0 0 405.306 5.237 50 0 HKAARN COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)c1 ZINC000005176256 559288743 /nfs/dbraw/zinc/28/87/43/559288743.db2.gz AAANEFUJNGNYND-UHFFFAOYSA-N 0 0 406.413 5.301 50 0 HKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000005176345 559288759 /nfs/dbraw/zinc/28/87/59/559288759.db2.gz LBDMHTZQLZCGAZ-UHFFFAOYSA-N 0 0 420.440 5.691 50 0 HKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O ZINC000005176519 559288752 /nfs/dbraw/zinc/28/87/52/559288752.db2.gz KWWNICVORQGDBN-UHFFFAOYSA-N 0 0 402.450 5.552 50 0 HKAARN Cc1nc(SCc2ccc(/C=C/c3c(F)cccc3Cl)cc2)[nH]c(=O)c1C ZINC000005176520 557638905 /nfs/dbraw/zinc/63/89/05/557638905.db2.gz WUTZYNLSELCSFR-ZHACJKMWSA-N 0 0 400.906 5.642 50 0 HKAARN CCCCNC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CCCC2 ZINC000005176713 559288754 /nfs/dbraw/zinc/28/87/54/559288754.db2.gz VLUMHFWTBGTGND-UHFFFAOYSA-N 0 0 422.497 5.011 50 0 HKAARN CC(=O)Oc1ccccc1C1=NN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)C1 ZINC000005176750 559288764 /nfs/dbraw/zinc/28/87/64/559288764.db2.gz NBHUZZWIEJRLIX-JOPBRCQMSA-N 0 0 410.473 5.003 50 0 HKAARN CC(=O)Oc1ccccc1C1=NN(C(=O)/C=C/c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000005176753 559288746 /nfs/dbraw/zinc/28/87/46/559288746.db2.gz NBHUZZWIEJRLIX-GQRCBVMOSA-N 0 0 410.473 5.003 50 0 HKAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000005176796 559288766 /nfs/dbraw/zinc/28/87/66/559288766.db2.gz OFCVVNIDTSWHAV-XUZZJYLKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000005176800 559288755 /nfs/dbraw/zinc/28/87/55/559288755.db2.gz OFCVVNIDTSWHAV-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000005176828 559288761 /nfs/dbraw/zinc/28/87/61/559288761.db2.gz VFHFRXARQUBRHD-UHFFFAOYSA-N 0 0 406.869 5.690 50 0 HKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000005176864 559288769 /nfs/dbraw/zinc/28/87/69/559288769.db2.gz FXMKVOPQKWBOAW-UHFFFAOYSA-N 0 0 420.440 5.691 50 0 HKAARN COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000005176997 559288776 /nfs/dbraw/zinc/28/87/76/559288776.db2.gz JBRVCMVSKZZJDM-UHFFFAOYSA-N 0 0 420.440 5.610 50 0 HKAARN C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OC)c(O)c2)cc1 ZINC000005177188 559288964 /nfs/dbraw/zinc/28/89/64/559288964.db2.gz DCJJITPIJHKENB-UHFFFAOYSA-N 0 0 414.461 5.805 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000005177248 559288952 /nfs/dbraw/zinc/28/89/52/559288952.db2.gz KMQGEMFEMRSVNA-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000005177255 559288860 /nfs/dbraw/zinc/28/88/60/559288860.db2.gz TZZZOBURRKVEGJ-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1C ZINC000005177257 559288872 /nfs/dbraw/zinc/28/88/72/559288872.db2.gz ZFEUPFZGYBRSLW-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F ZINC000005177282 559288865 /nfs/dbraw/zinc/28/88/65/559288865.db2.gz NPDLWTAKYKUPOH-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000005177552 559289149 /nfs/dbraw/zinc/28/91/49/559289149.db2.gz ICYIZDDLCQIKNC-NBGIEHNGSA-N 0 0 414.461 5.056 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000005177554 559289183 /nfs/dbraw/zinc/28/91/83/559289183.db2.gz ICYIZDDLCQIKNC-CPJSRVTESA-N 0 0 414.461 5.056 50 0 HKAARN COc1ccc2ccccc2c1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000005177563 559289156 /nfs/dbraw/zinc/28/91/56/559289156.db2.gz FUNMBBVPRHUOBU-RFYAYMHSSA-N 0 0 412.533 5.184 50 0 HKAARN Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccccc1 ZINC000005177951 559289176 /nfs/dbraw/zinc/28/91/76/559289176.db2.gz STXVPBPGIDVYPH-NRFANRHFSA-N 0 0 406.445 5.091 50 0 HKAARN Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 ZINC000005177953 559289145 /nfs/dbraw/zinc/28/91/45/559289145.db2.gz STXVPBPGIDVYPH-OAQYLSRUSA-N 0 0 406.445 5.091 50 0 HKAARN CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005178026 559289150 /nfs/dbraw/zinc/28/91/50/559289150.db2.gz ZIVSFWWZMHBQBX-GBXCKJPGSA-N 0 0 416.502 5.380 50 0 HKAARN CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005178028 559289163 /nfs/dbraw/zinc/28/91/63/559289163.db2.gz ZIVSFWWZMHBQBX-RDPSFJRHSA-N 0 0 416.502 5.380 50 0 HKAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 ZINC000005178122 559289155 /nfs/dbraw/zinc/28/91/55/559289155.db2.gz TYYLSPIEBHTUTQ-IDRNJTBQSA-N 0 0 406.529 5.285 50 0 HKAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n[nH]2)cc1 ZINC000005180130 559289333 /nfs/dbraw/zinc/28/93/33/559289333.db2.gz UDBLGTPYXOHZEV-HOTGVXAUSA-N 0 0 408.571 5.667 50 0 HKAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n[nH]2)cc1 ZINC000005180131 559289378 /nfs/dbraw/zinc/28/93/78/559289378.db2.gz UDBLGTPYXOHZEV-JKSUJKDBSA-N 0 0 408.571 5.667 50 0 HKAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n[nH]2)cc1 ZINC000005180132 559289367 /nfs/dbraw/zinc/28/93/67/559289367.db2.gz UDBLGTPYXOHZEV-CVEARBPZSA-N 0 0 408.571 5.667 50 0 HKAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n[nH]2)cc1 ZINC000005180133 559289359 /nfs/dbraw/zinc/28/93/59/559289359.db2.gz UDBLGTPYXOHZEV-HZPDHXFCSA-N 0 0 408.571 5.667 50 0 HKAARN Cc1nc2c3ccccc3oc2c(SCC(=O)c2cc(Cl)sc2Cl)n1 ZINC000005180228 559289375 /nfs/dbraw/zinc/28/93/75/559289375.db2.gz QYQKLPDZEUCPGN-UHFFFAOYSA-N 0 0 409.319 6.028 50 0 HKAARN CCc1ccc(CCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)o1 ZINC000005180379 559289452 /nfs/dbraw/zinc/28/94/52/559289452.db2.gz JJGKBVCVHYZSPS-UHFFFAOYSA-N 0 0 409.338 5.767 50 0 HKAARN CCc1ccc(-c2nc(SCc3csc(-c4cccc(OC)c4)n3)n[nH]2)cc1 ZINC000005180501 560625010 /nfs/dbraw/zinc/62/50/10/560625010.db2.gz FDRRDCNAZDDEPL-UHFFFAOYSA-N 0 0 408.552 5.459 50 0 HKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 ZINC000005180561 559289646 /nfs/dbraw/zinc/28/96/46/559289646.db2.gz ZQYRKRAQBHABIR-NRFANRHFSA-N 0 0 406.445 5.091 50 0 HKAARN Cc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 ZINC000005180563 559289662 /nfs/dbraw/zinc/28/96/62/559289662.db2.gz ZQYRKRAQBHABIR-OAQYLSRUSA-N 0 0 406.445 5.091 50 0 HKAARN Cc1cc2sc(N3CCN(C(=O)c4cccc5ccccc54)CC3)nc2c(C)c1 ZINC000005182350 559289975 /nfs/dbraw/zinc/28/99/75/559289975.db2.gz MZENNWGACYDBIC-UHFFFAOYSA-N 0 0 401.535 5.029 50 0 HKAARN Cc1ccc(C)c2sc(N3CCN(C(=O)c4cccc5ccccc54)CC3)nc21 ZINC000005182494 559289992 /nfs/dbraw/zinc/28/99/92/559289992.db2.gz KWFYLNDDRLZHPI-UHFFFAOYSA-N 0 0 401.535 5.029 50 0 HKAARN COc1ccc(-c2nc(COC(=O)CCCc3c[nH]c4ccccc34)cs2)cc1 ZINC000005184800 559290587 /nfs/dbraw/zinc/29/05/87/559290587.db2.gz HNQNZOAOBWARIR-UHFFFAOYSA-N 0 0 406.507 5.366 50 0 HKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc2cc(OC)ccc2[nH]1 ZINC000005185408 559290646 /nfs/dbraw/zinc/29/06/46/559290646.db2.gz OOLFMMXCDVGKLO-UHFFFAOYSA-N 0 0 416.499 5.394 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(Cl)c1 ZINC000005185805 559290789 /nfs/dbraw/zinc/29/07/89/559290789.db2.gz ZKRUJVQMVIOLGU-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000005186006 559290806 /nfs/dbraw/zinc/29/08/06/559290806.db2.gz ONLTUACRXQYRCW-UHFFFAOYSA-N 0 0 408.354 5.667 50 0 HKAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccc(Br)cc1 ZINC000005187090 559290894 /nfs/dbraw/zinc/29/08/94/559290894.db2.gz MEBMXERVIATHAT-OAHLLOKOSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(Br)cc1 ZINC000005187095 559290819 /nfs/dbraw/zinc/29/08/19/559290819.db2.gz MEBMXERVIATHAT-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN COc1cc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2cc1OC ZINC000005187333 559290886 /nfs/dbraw/zinc/29/08/86/559290886.db2.gz DKWMIDUDJCNIMZ-UHFFFAOYSA-N 0 0 404.900 5.434 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000005188706 559291074 /nfs/dbraw/zinc/29/10/74/559291074.db2.gz NQQMUZMKDHPNJE-GBXCKJPGSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000005188720 559291090 /nfs/dbraw/zinc/29/10/90/559291090.db2.gz NQQMUZMKDHPNJE-HYBUGGRVSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(C)c(Cl)c1 ZINC000005189179 559291072 /nfs/dbraw/zinc/29/10/72/559291072.db2.gz NXNCVUWWSMAFBM-KRWDZBQOSA-N 0 0 412.736 5.198 50 0 HKAARN COc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(C)c(Cl)c1 ZINC000005189196 559291128 /nfs/dbraw/zinc/29/11/28/559291128.db2.gz NXNCVUWWSMAFBM-QGZVFWFLSA-N 0 0 412.736 5.198 50 0 HKAARN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Br)cc1 ZINC000005189316 559291141 /nfs/dbraw/zinc/29/11/41/559291141.db2.gz QNRPMFJIJOLINS-HNNXBMFYSA-N 0 0 403.128 5.535 50 0 HKAARN O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Br)cc1 ZINC000005189339 559291137 /nfs/dbraw/zinc/29/11/37/559291137.db2.gz 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/nfs/dbraw/zinc/29/14/58/559291458.db2.gz BZQNZCPIVVLRSW-UHFFFAOYSA-N 0 0 414.552 5.257 50 0 HKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 ZINC000005191134 559291464 /nfs/dbraw/zinc/29/14/64/559291464.db2.gz WXKUUCISAMPYEE-PLRJNAJWSA-N 0 0 418.581 5.557 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000005191172 559291432 /nfs/dbraw/zinc/29/14/32/559291432.db2.gz QMQRJYTWURQIJL-MOSHPQCFSA-N 0 0 411.288 5.403 50 0 HKAARN Cc1ccc(SCCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000005191226 568455312 /nfs/dbraw/zinc/45/53/12/568455312.db2.gz QSAMVAWGDKTJRO-UHFFFAOYSA-N 0 0 412.536 5.011 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1 ZINC000005191774 559291532 /nfs/dbraw/zinc/29/15/32/559291532.db2.gz FBCNTVGRRGKFJN-UHFFFAOYSA-N 0 0 404.944 5.593 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000005191809 559291491 /nfs/dbraw/zinc/29/14/91/559291491.db2.gz GPWHCPYMQAPEPM-UHFFFAOYSA-N 0 0 404.897 6.698 50 0 aggregator HKAARN COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000005191857 559291513 /nfs/dbraw/zinc/29/15/13/559291513.db2.gz YGMAGOXPANTAEX-NTEUORMPSA-N 0 0 400.434 5.164 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1OC ZINC000005191919 559291529 /nfs/dbraw/zinc/29/15/29/559291529.db2.gz DYSVYZGJFMVRFW-UHFFFAOYSA-N 0 0 416.477 5.690 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000005192050 559291520 /nfs/dbraw/zinc/29/15/20/559291520.db2.gz FYGWXJXRPJXSEU-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(F)cc1 ZINC000005192393 559291542 /nfs/dbraw/zinc/29/15/42/559291542.db2.gz PAOHKFZTPXAEPK-UHFFFAOYSA-N 0 0 401.484 5.072 50 0 HKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005192500 559291503 /nfs/dbraw/zinc/29/15/03/559291503.db2.gz QMMROPPYSFYFKX-UHFFFAOYSA-N 0 0 410.311 5.057 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1OC ZINC000005192639 559291501 /nfs/dbraw/zinc/29/15/01/559291501.db2.gz OAPBDLBXVGGPCK-UHFFFAOYSA-N 0 0 418.515 5.087 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1C ZINC000005192646 559291638 /nfs/dbraw/zinc/29/16/38/559291638.db2.gz KVKYWWHCPRSIIT-UHFFFAOYSA-N 0 0 402.516 5.387 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1 ZINC000005192657 559291603 /nfs/dbraw/zinc/29/16/03/559291603.db2.gz CDVSOGSIZOXPPG-UHFFFAOYSA-N 0 0 402.516 5.469 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=S)Nc3ccc(Cl)cc3)n2)cc1 ZINC000005192699 559291602 /nfs/dbraw/zinc/29/16/02/559291602.db2.gz ZTKHFALAWNQPRL-UHFFFAOYSA-N 0 0 401.988 6.570 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000005192778 559291615 /nfs/dbraw/zinc/29/16/15/559291615.db2.gz ZNFSRSJUOAGVNV-UHFFFAOYSA-N 0 0 419.550 5.420 50 0 HKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(C(F)(F)F)c1 ZINC000005193123 559291631 /nfs/dbraw/zinc/29/16/31/559291631.db2.gz HXHDEJRDEHBKTN-UHFFFAOYSA-N 0 0 407.461 5.277 50 0 HKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000005193419 559291639 /nfs/dbraw/zinc/29/16/39/559291639.db2.gz ZQXVVAODOZETGZ-UHFFFAOYSA-N 0 0 400.931 5.779 50 0 HKAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1cccs1 ZINC000005193438 559291621 /nfs/dbraw/zinc/29/16/21/559291621.db2.gz POIJUBCCUKPZHV-UHFFFAOYSA-N 0 0 413.524 5.027 50 0 HKAARN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)c2ccccc2)c1 ZINC000005193531 559291614 /nfs/dbraw/zinc/29/16/14/559291614.db2.gz NFZOPGIGYPYRCT-UHFFFAOYSA-N 0 0 405.906 6.346 50 0 HKAARN COc1cc(C(C)=O)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005194349 560625195 /nfs/dbraw/zinc/62/51/95/560625195.db2.gz NMSGAOXEQYLXQO-XMMPIXPASA-N 0 0 403.478 5.273 50 0 HKAARN COc1cc(C(C)=O)ccc1O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005194352 560625215 /nfs/dbraw/zinc/62/52/15/560625215.db2.gz NMSGAOXEQYLXQO-DEOSSOPVSA-N 0 0 403.478 5.273 50 0 HKAARN C/C(NCc1ccccc1)=C1\c2ccccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000005194411 557639620 /nfs/dbraw/zinc/63/96/20/557639620.db2.gz NRDXGHMEMPYASM-QNGOZBTKSA-N 0 0 409.316 6.193 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1cccs1)O2 ZINC000005194446 557639558 /nfs/dbraw/zinc/63/95/58/557639558.db2.gz YQWFXWDKBISWTO-XUZZJYLKSA-N 0 0 416.933 6.797 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1cccs1)O2 ZINC000005194457 557639611 /nfs/dbraw/zinc/63/96/11/557639611.db2.gz YQWFXWDKBISWTO-ZJSXRUAMSA-N 0 0 416.933 6.797 50 0 HKAARN CC(C)=CCc1c(=O)c2c(O)cc3c(c2oc1-c1ccc(O)cc1O)C=CC(C)(C)O3 ZINC000005195808 291285805 /nfs/dbraw/zinc/28/58/05/291285805.db2.gz XFFOMNJIDRDDLQ-UHFFFAOYSA-N 0 0 420.461 5.270 50 0 endogenous,in-man HKAARN CCOc1ccc(C2=Cc3cc(OC)c(OC)cc3/C(=C/c3ccccc3)O2)cc1 ZINC000005196743 559291909 /nfs/dbraw/zinc/29/19/09/559291909.db2.gz YVKRDHMCUINHGD-OYKKKHCWSA-N 0 0 400.474 6.129 50 0 HKAARN COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2O)c1 ZINC000005196960 559291957 /nfs/dbraw/zinc/29/19/57/559291957.db2.gz GUZWLXIIMWMCHE-UHFFFAOYSA-N 0 0 402.450 5.471 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000005197395 559291955 /nfs/dbraw/zinc/29/19/55/559291955.db2.gz YOZBUOVGLGKNPS-UHFFFAOYSA-N 0 0 404.469 6.307 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc5c6c(cccc64)CC5)c3)oc2c1 ZINC000005197399 559291974 /nfs/dbraw/zinc/29/19/74/559291974.db2.gz KXKMVCBKGMRPBN-UHFFFAOYSA-N 0 0 418.496 6.616 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000005197423 559291938 /nfs/dbraw/zinc/29/19/38/559291938.db2.gz YUJDLCDJSMLOGK-UHFFFAOYSA-N 0 0 412.420 6.048 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000005197428 559291948 /nfs/dbraw/zinc/29/19/48/559291948.db2.gz UTZNIFRNLYSSOY-UHFFFAOYSA-N 0 0 408.457 6.217 50 0 HKAARN COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1O ZINC000005197609 559292063 /nfs/dbraw/zinc/29/20/63/559292063.db2.gz JOSRNNYQTXNSSN-UHFFFAOYSA-N 0 0 402.450 5.471 50 0 HKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1Cl ZINC000005197615 559292024 /nfs/dbraw/zinc/29/20/24/559292024.db2.gz XMYHPQNWCQKWQM-UHFFFAOYSA-N 0 0 408.910 6.268 50 0 HKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1Cl ZINC000005197619 559291998 /nfs/dbraw/zinc/29/19/98/559291998.db2.gz PYIREVZYZFCQCH-UHFFFAOYSA-N 0 0 406.869 6.108 50 0 HKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000005197623 559292060 /nfs/dbraw/zinc/29/20/60/559292060.db2.gz YJFSDTHMPPLHNW-UHFFFAOYSA-N 0 0 420.896 6.416 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Cl ZINC000005197628 559292007 /nfs/dbraw/zinc/29/20/07/559292007.db2.gz QGJKTVSDPOSAIX-UHFFFAOYSA-N 0 0 410.832 5.938 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Cl ZINC000005197630 559291997 /nfs/dbraw/zinc/29/19/97/559291997.db2.gz KHKCGRJMLXBOIE-UHFFFAOYSA-N 0 0 410.832 5.938 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)nc2c1 ZINC000005197652 559292015 /nfs/dbraw/zinc/29/20/15/559292015.db2.gz KGXVIDCEVDFKGC-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4cc(C)c(Cl)c(C)c4)ccc3o2)cc1 ZINC000005197656 559292009 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COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000005256157 560552420 /nfs/dbraw/zinc/55/24/20/560552420.db2.gz SGOSZVMLIMPMNM-FQEVSTJZSA-N 0 0 416.308 5.441 50 0 HKAARN COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000005256158 559162152 /nfs/dbraw/zinc/16/21/52/559162152.db2.gz SGOSZVMLIMPMNM-HXUWFJFHSA-N 0 0 416.308 5.441 50 0 HKAARN COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000005256159 560552378 /nfs/dbraw/zinc/55/23/78/560552378.db2.gz KXEGHKXKILLNEL-FQEVSTJZSA-N 0 0 416.308 5.441 50 0 HKAARN COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000005256160 560552375 /nfs/dbraw/zinc/55/23/75/560552375.db2.gz KXEGHKXKILLNEL-HXUWFJFHSA-N 0 0 416.308 5.441 50 0 HKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000005256161 560552400 /nfs/dbraw/zinc/55/24/00/560552400.db2.gz SDOPCUCGQPKBEH-FQEVSTJZSA-N 0 0 416.308 5.441 50 0 HKAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000005256162 560552402 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CCOc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000005258683 560551083 /nfs/dbraw/zinc/55/10/83/560551083.db2.gz XMKONUNVNXDWKE-HSZRJFAPSA-N 0 0 404.897 5.730 50 0 HKAARN O=c1oc2ccccc2c2c1C(c1cccs1)c1c(=O)oc3ccccc3c1O2 ZINC000005258710 560625201 /nfs/dbraw/zinc/62/52/01/560625201.db2.gz SEYFJAOQTBOAFN-UHFFFAOYSA-N 0 0 400.411 5.247 50 0 HKAARN Clc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000005258851 560551110 /nfs/dbraw/zinc/55/11/10/560551110.db2.gz FKVVWSDJQILKQW-UHFFFAOYSA-N 0 0 404.947 7.148 50 0 HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@H]1C ZINC000005258912 132304462 /nfs/dbraw/zinc/30/44/62/132304462.db2.gz DCZDXBPFAUVTBW-JHATUCIOSA-N 0 0 410.517 5.619 50 0 HKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000005258915 132304457 /nfs/dbraw/zinc/30/44/57/132304457.db2.gz DCZDXBPFAUVTBW-IAQPNLFFSA-N 0 0 410.517 5.619 50 0 HKAARN CCN(CC)P(=NC(=S)NCc1ccccc1)(c1ccccc1)N(CC)CC ZINC000005259528 560625208 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CCCCCCN1C=C/C(=C\C(C#N)=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000005261175 569007620 /nfs/dbraw/zinc/00/76/20/569007620.db2.gz NVSCRRDTCYQNKS-HTXNQAPBSA-N 0 0 408.501 5.883 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(N2CCCCC2)cc1 ZINC000005261863 132304487 /nfs/dbraw/zinc/30/44/87/132304487.db2.gz PLZMCKQSHSEULG-UHFFFAOYSA-N 0 0 411.958 5.635 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 ZINC000005261908 560552838 /nfs/dbraw/zinc/55/28/38/560552838.db2.gz PIKVZHRMLAXXAV-UHFFFAOYSA-N 0 0 420.534 5.459 50 0 HKAARN COc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262070 560552820 /nfs/dbraw/zinc/55/28/20/560552820.db2.gz LOENTSDYRCTRSL-RUZDIDTESA-N 0 0 418.537 5.132 50 0 HKAARN COc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 ZINC000005262071 560552910 /nfs/dbraw/zinc/55/29/10/560552910.db2.gz LOENTSDYRCTRSL-VWLOTQADSA-N 0 0 418.537 5.132 50 0 HKAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005262097 560625210 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CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(F)c3)sc2c1 ZINC000005265144 560553533 /nfs/dbraw/zinc/55/35/33/560553533.db2.gz JABIZAGPUROSBO-UHFFFAOYSA-N 0 0 407.470 5.076 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)sc2c1 ZINC000005265150 560553525 /nfs/dbraw/zinc/55/35/25/560553525.db2.gz KZZWKWRWGFDEQC-SDNWHVSQSA-N 0 0 415.518 5.337 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2c1 ZINC000005265157 560553518 /nfs/dbraw/zinc/55/35/18/560553518.db2.gz LNNUWHBALZBZFF-UHFFFAOYSA-N 0 0 417.534 5.256 50 0 HKAARN COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000005265173 560553514 /nfs/dbraw/zinc/55/35/14/560553514.db2.gz CGRLWKOWLIZFEV-UHFFFAOYSA-N 0 0 409.898 5.200 50 0 HKAARN Cc1ccc(C)c(C(=O)N(Cc2ccccn2)c2nc3c(cc(F)cc3F)s2)c1 ZINC000005265261 560553493 /nfs/dbraw/zinc/55/34/93/560553493.db2.gz KLWKVFHTOYHKOM-UHFFFAOYSA-N 0 0 409.461 5.433 50 0 HKAARN Cc1cc2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc2c(C)c1 ZINC000005265313 560553537 /nfs/dbraw/zinc/55/35/37/560553537.db2.gz 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HKAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000005451688 560589204 /nfs/dbraw/zinc/58/92/04/560589204.db2.gz AWFPYTJTGJSNGS-HHHXNRCGSA-N 0 0 412.533 5.698 50 0 HKAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000005451689 560589203 /nfs/dbraw/zinc/58/92/03/560589203.db2.gz AWFPYTJTGJSNGS-MHZLTWQESA-N 0 0 412.533 5.698 50 0 HKAARN COc1ccc(-c2c(NC(=O)CC(C)C)oc3c4ccccc4sc3c2=O)cc1 ZINC000005451706 560589184 /nfs/dbraw/zinc/58/91/84/560589184.db2.gz BREZPFDKEYCCDA-UHFFFAOYSA-N 0 0 407.491 5.668 50 0 HKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccsc2)C1=O ZINC000005451850 132305954 /nfs/dbraw/zinc/30/59/54/132305954.db2.gz VDXLUHHTOAYGHY-OAQYLSRUSA-N 0 0 410.926 5.139 50 0 HKAARN Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccsc2)C1=O ZINC000005451851 132305956 /nfs/dbraw/zinc/30/59/56/132305956.db2.gz VDXLUHHTOAYGHY-NRFANRHFSA-N 0 0 410.926 5.139 50 0 HKAARN Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1 ZINC000005451894 560589243 /nfs/dbraw/zinc/58/92/43/560589243.db2.gz VNMAVQOVMHQEAC-UHFFFAOYSA-N 0 0 417.896 5.639 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@]1(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000005451988 560589267 /nfs/dbraw/zinc/58/92/67/560589267.db2.gz QRNLYBMOUJIAJX-XMMPIXPASA-N 0 0 404.897 5.228 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@@]1(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000005451989 560589258 /nfs/dbraw/zinc/58/92/58/560589258.db2.gz QRNLYBMOUJIAJX-DEOSSOPVSA-N 0 0 404.897 5.228 50 0 HKAARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000005452003 560589280 /nfs/dbraw/zinc/58/92/80/560589280.db2.gz HBRRUBPOUDFKEU-UHFFFAOYSA-N 0 0 400.482 5.722 50 0 HKAARN CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000005452049 560589386 /nfs/dbraw/zinc/58/93/86/560589386.db2.gz YURJFRWSWCBWMJ-UKILVPOCSA-N 0 0 402.469 5.855 50 0 HKAARN CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000005452050 560589358 /nfs/dbraw/zinc/58/93/58/560589358.db2.gz YURJFRWSWCBWMJ-ILBGXUMGSA-N 0 0 402.469 5.855 50 0 HKAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000005452051 560589376 /nfs/dbraw/zinc/58/93/76/560589376.db2.gz QQWMFMMZMREOAF-UHFFFAOYSA-N 0 0 406.873 5.597 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005452110 132305987 /nfs/dbraw/zinc/30/59/87/132305987.db2.gz UJZXFNDIVXAKAY-RUZDIDTESA-N 0 0 416.496 5.379 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005452111 132305985 /nfs/dbraw/zinc/30/59/85/132305985.db2.gz UJZXFNDIVXAKAY-VWLOTQADSA-N 0 0 416.496 5.379 50 0 HKAARN Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3F)oc12 ZINC000005452124 560589359 /nfs/dbraw/zinc/58/93/59/560589359.db2.gz QKALFQVFTKEYIE-UHFFFAOYSA-N 0 0 407.828 5.813 50 0 HKAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)c(C)c1 ZINC000005452156 560589357 /nfs/dbraw/zinc/58/93/57/560589357.db2.gz YAZXRUBTELEARS-HHHXNRCGSA-N 0 0 418.581 5.508 50 0 HKAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)c(C)c1 ZINC000005452157 560589389 /nfs/dbraw/zinc/58/93/89/560589389.db2.gz YAZXRUBTELEARS-MHZLTWQESA-N 0 0 418.581 5.508 50 0 HKAARN Cc1noc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccc(Cl)cc1 ZINC000005452173 560589391 /nfs/dbraw/zinc/58/93/91/560589391.db2.gz BBYPXBMOVICUCO-UHFFFAOYSA-N 0 0 409.844 6.394 50 0 HKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000005452205 560589485 /nfs/dbraw/zinc/58/94/85/560589485.db2.gz PZDCSFRQQOSWBZ-UHFFFAOYSA-N 0 0 405.425 5.749 50 0 HKAARN C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005452343 560589467 /nfs/dbraw/zinc/58/94/67/560589467.db2.gz DGXOSNYPDLFFPD-KRWDZBQOSA-N 0 0 403.913 5.158 50 0 HKAARN C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005452344 560589483 /nfs/dbraw/zinc/58/94/83/560589483.db2.gz DGXOSNYPDLFFPD-QGZVFWFLSA-N 0 0 403.913 5.158 50 0 HKAARN COc1cccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCO)c1 ZINC000005453329 560589557 /nfs/dbraw/zinc/58/95/57/560589557.db2.gz VFKRJOWVQAXBAE-UHFFFAOYSA-N 0 0 409.489 5.138 50 0 HKAARN CCCCN1c2ccc(C)cc2[C@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000005453411 560589550 /nfs/dbraw/zinc/58/95/50/560589550.db2.gz QGSGUZXBLMOXLB-AREMUKBSSA-N 0 0 408.505 5.285 50 0 HKAARN CCCCN1c2ccc(C)cc2[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000005453415 560589598 /nfs/dbraw/zinc/58/95/98/560589598.db2.gz QGSGUZXBLMOXLB-SANMLTNESA-N 0 0 408.505 5.285 50 0 HKAARN FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc43)nc3ccccn32)c1 ZINC000005453473 560589595 /nfs/dbraw/zinc/58/95/95/560589595.db2.gz RVMCWOSAWFTLNO-UHFFFAOYSA-N 0 0 404.395 6.312 50 0 HKAARN CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCc2nc3ccccc3[nH]2)CO1 ZINC000005453576 560589544 /nfs/dbraw/zinc/58/95/44/560589544.db2.gz BOTWQFSSFFWAHK-UHFFFAOYSA-N 0 0 416.550 5.250 50 0 HKAARN COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn32)cc1OC ZINC000005453668 560589548 /nfs/dbraw/zinc/58/95/48/560589548.db2.gz YVJKBFZWBGPEIX-UHFFFAOYSA-N 0 0 418.884 5.897 50 0 HKAARN CCCCn1c(-c2ccc(OC)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000005453719 560589706 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/nfs/dbraw/zinc/59/05/01/560590501.db2.gz NIKPVISZBATZRG-CTNGQTDRSA-N 0 0 419.912 5.853 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000005458660 560590538 /nfs/dbraw/zinc/59/05/38/560590538.db2.gz NIKPVISZBATZRG-TZIWHRDSSA-N 0 0 419.912 5.853 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000005458665 560590527 /nfs/dbraw/zinc/59/05/27/560590527.db2.gz NIKPVISZBATZRG-FPOVZHCZSA-N 0 0 419.912 5.853 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000005458675 560590534 /nfs/dbraw/zinc/59/05/34/560590534.db2.gz NIKPVISZBATZRG-PZJWPPBQSA-N 0 0 419.912 5.853 50 0 HKAARN CCCCC1=CC2(c3ccccc3-c3ccccc32)N(c2ccc(Cl)cc2)N1C#N ZINC000005458681 560590505 /nfs/dbraw/zinc/59/05/05/560590505.db2.gz GSFDLBBVIRSLEJ-UHFFFAOYSA-N 0 0 411.936 6.856 50 0 HKAARN Cc1nn2c(nc(C(C)(C)C)cc2NCCCn2ccnc2)c1-c1ccc(Cl)cc1 ZINC000005458732 560590530 /nfs/dbraw/zinc/59/05/30/560590530.db2.gz JGBQVDSUMJYZPS-UHFFFAOYSA-N 0 0 422.964 5.354 50 0 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ZINC000005460655 560592826 /nfs/dbraw/zinc/59/28/26/560592826.db2.gz DRZDJOJFYKJFFQ-FYYLOGMGSA-N 0 0 403.913 6.235 50 0 HKAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 ZINC000005460660 560592797 /nfs/dbraw/zinc/59/27/97/560592797.db2.gz DRZDJOJFYKJFFQ-GMAHTHKFSA-N 0 0 403.913 6.235 50 0 HKAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 ZINC000005460664 560592807 /nfs/dbraw/zinc/59/28/07/560592807.db2.gz DRZDJOJFYKJFFQ-JTHBVZDNSA-N 0 0 403.913 6.235 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000005460783 560592840 /nfs/dbraw/zinc/59/28/40/560592840.db2.gz WAUJEQJQNKMUIS-JOCHJYFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 ZINC000005460794 560592824 /nfs/dbraw/zinc/59/28/24/560592824.db2.gz WAUJEQJQNKMUIS-QFIPXVFZSA-N 0 0 409.533 5.530 50 0 HKAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1C(F)(F)F ZINC000005467237 560592205 /nfs/dbraw/zinc/59/22/05/560592205.db2.gz YQSRYLFUTOXAAW-UHFFFAOYSA-N 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CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 ZINC000005478604 557656376 /nfs/dbraw/zinc/65/63/76/557656376.db2.gz WDVTUHMAMOVBMS-KRWDZBQOSA-N 0 0 424.570 5.121 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000005478638 557656359 /nfs/dbraw/zinc/65/63/59/557656359.db2.gz BJGNPWRZTCLHPI-UHFFFAOYSA-N 0 0 417.553 6.663 50 0 HKAARN CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 ZINC000005478639 560595421 /nfs/dbraw/zinc/59/54/21/560595421.db2.gz MUSBHUSZIZPHIS-UHFFFAOYSA-N 0 0 402.498 5.200 50 0 HKAARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3cccc(C)c3)c2c1 ZINC000005478650 560595409 /nfs/dbraw/zinc/59/54/09/560595409.db2.gz PEHNROYLAJGLOK-JLHYYAGUSA-N 0 0 407.473 5.354 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000005478661 557656392 /nfs/dbraw/zinc/65/63/92/557656392.db2.gz VKNUZEQGDCETCO-UHFFFAOYSA-N 0 0 422.598 5.634 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 ZINC000005478709 560595464 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CC1(C)CN=C(N(Cc2ccccc2Cl)C(=O)Nc2cccc(Cl)c2)S1 ZINC000005482212 560596089 /nfs/dbraw/zinc/59/60/89/560596089.db2.gz DTSYMEQZJAIYBH-UHFFFAOYSA-N 0 0 408.354 5.909 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)c(C)c1 ZINC000005482784 132306231 /nfs/dbraw/zinc/30/62/31/132306231.db2.gz ZWAJIXMWCILXFH-HSZRJFAPSA-N 0 0 404.535 5.103 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccsc2)c(C)c1 ZINC000005482785 132306246 /nfs/dbraw/zinc/30/62/46/132306246.db2.gz ZWAJIXMWCILXFH-QHCPKHFHSA-N 0 0 404.535 5.103 50 0 HKAARN COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)cc1 ZINC000005482802 560596391 /nfs/dbraw/zinc/59/63/91/560596391.db2.gz KLGHJIHNBRGFTJ-UHFFFAOYSA-N 0 0 403.409 5.168 50 0 HKAARN COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccc(OC)cc2)cc1 ZINC000005482861 560596353 /nfs/dbraw/zinc/59/63/53/560596353.db2.gz IEUHJVUAVXGLEE-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 HKAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000005483042 560596435 /nfs/dbraw/zinc/59/64/35/560596435.db2.gz MAXCUHRSDOWMFN-AREMUKBSSA-N 0 0 404.554 5.200 50 0 HKAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000005483048 560596446 /nfs/dbraw/zinc/59/64/46/560596446.db2.gz MAXCUHRSDOWMFN-SANMLTNESA-N 0 0 404.554 5.200 50 0 HKAARN COc1ccc(Oc2cncnc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000005483136 560596459 /nfs/dbraw/zinc/59/64/59/560596459.db2.gz ZLQYGNIZTLJXJY-UHFFFAOYSA-N 0 0 418.424 5.368 50 0 HKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 ZINC000005483578 560596667 /nfs/dbraw/zinc/59/66/67/560596667.db2.gz FTJKXKMKATZCKW-SILNSSARSA-N 0 0 405.862 5.550 50 0 HKAARN Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(F)cc3)oc12 ZINC000005483705 560596655 /nfs/dbraw/zinc/59/66/55/560596655.db2.gz FAHBHDVZHKWXLZ-UHFFFAOYSA-N 0 0 407.828 5.813 50 0 HKAARN Cc1noc(-c2ccc(OCc3ccccc3C)cc2O)c1-c1ccc(Cl)cc1 ZINC000005483711 560596669 /nfs/dbraw/zinc/59/66/69/560596669.db2.gz OEYVIZBEEHPIEK-UHFFFAOYSA-N 0 0 405.881 6.563 50 0 HKAARN COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000005483885 560596672 /nfs/dbraw/zinc/59/66/72/560596672.db2.gz GXSPPPAQKCSJCP-UHFFFAOYSA-N 0 0 401.462 5.919 50 0 HKAARN COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3c(C)cccc3c2=O)cc1OC ZINC000005483900 560596679 /nfs/dbraw/zinc/59/66/79/560596679.db2.gz WNEKMRQJPUCZGP-UHFFFAOYSA-N 0 0 421.493 5.304 50 0 biogenic HKAARN COc1ccc(-c2c(NC(=O)c3ccccc3F)oc3c(C)cccc3c2=O)cc1 ZINC000005484119 560596783 /nfs/dbraw/zinc/59/67/83/560596783.db2.gz CCDXDJTVERPNAX-UHFFFAOYSA-N 0 0 403.409 5.168 50 0 HKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 ZINC000005484338 560596861 /nfs/dbraw/zinc/59/68/61/560596861.db2.gz FCBRLJPHQNQBQM-UHFFFAOYSA-N 0 0 412.489 5.721 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000005484372 560596902 /nfs/dbraw/zinc/59/69/02/560596902.db2.gz OSNUHDRVHMXWKS-SFHVURJKSA-N 0 0 413.514 5.228 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000005484373 560596895 /nfs/dbraw/zinc/59/68/95/560596895.db2.gz OSNUHDRVHMXWKS-GOSISDBHSA-N 0 0 413.514 5.228 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000005484446 557656775 /nfs/dbraw/zinc/65/67/75/557656775.db2.gz BZJCPTPBRBYPNJ-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(C)c2)cc1 ZINC000005484631 557656878 /nfs/dbraw/zinc/65/68/78/557656878.db2.gz BFTLEKXAYQEFCD-UHFFFAOYSA-N 0 0 415.562 6.160 50 0 HKAARN CC(C)c1ccc([C@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000005484634 560596992 /nfs/dbraw/zinc/59/69/92/560596992.db2.gz KSTRZMCKCDRDAT-VWLOTQADSA-N 0 0 424.972 5.545 50 0 HKAARN CC(C)c1ccc([C@@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000005484637 560597033 /nfs/dbraw/zinc/59/70/33/560597033.db2.gz KSTRZMCKCDRDAT-RUZDIDTESA-N 0 0 424.972 5.545 50 0 HKAARN COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000005484643 557656896 /nfs/dbraw/zinc/65/68/96/557656896.db2.gz OMSQNCZGGYOFHM-UHFFFAOYSA-N 0 0 415.518 5.226 50 0 HKAARN COc1ccc(-c2c(NC(=O)c3ccccc3OC)oc3c(C)cccc3c2=O)cc1 ZINC000005484670 560597043 /nfs/dbraw/zinc/59/70/43/560597043.db2.gz UDCLCAAVERBGPV-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 HKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccsc3)C2=O)c1C ZINC000005484677 132306263 /nfs/dbraw/zinc/30/62/63/132306263.db2.gz GJENASBJFFHPFA-OAQYLSRUSA-N 0 0 410.926 5.139 50 0 HKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccsc3)C2=O)c1C ZINC000005484680 132306253 /nfs/dbraw/zinc/30/62/53/132306253.db2.gz GJENASBJFFHPFA-NRFANRHFSA-N 0 0 410.926 5.139 50 0 HKAARN Oc1cc(OCc2ccccc2)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 ZINC000005484695 560597011 /nfs/dbraw/zinc/59/70/11/560597011.db2.gz QZCFWXJELABJAV-UHFFFAOYSA-N 0 0 411.379 6.312 50 0 HKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccs2)c2ccccc2)C[C@@H]1C ZINC000005484842 535318734 /nfs/dbraw/zinc/31/87/34/535318734.db2.gz SPCRETWFWXOSRM-LAUBAEHRSA-N 0 0 404.535 5.671 50 0 HKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccs2)c2ccccc2)C[C@@H]1C ZINC000005484851 535318639 /nfs/dbraw/zinc/31/86/39/535318639.db2.gz SPCRETWFWXOSRM-UWJYYQICSA-N 0 0 404.535 5.671 50 0 HKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccs2)c2ccccc2)C[C@H]1C ZINC000005484859 535318896 /nfs/dbraw/zinc/31/88/96/535318896.db2.gz SPCRETWFWXOSRM-DYESRHJHSA-N 0 0 404.535 5.671 50 0 HKAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccs2)c2ccccc2)C[C@H]1C ZINC000005484873 535319188 /nfs/dbraw/zinc/31/91/88/535319188.db2.gz SPCRETWFWXOSRM-UTKZUKDTSA-N 0 0 404.535 5.671 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OCC)cc1 ZINC000005485396 560597068 /nfs/dbraw/zinc/59/70/68/560597068.db2.gz SEKZDOVXDDHTAY-SFHVURJKSA-N 0 0 413.514 5.228 50 0 HKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OCC)cc1 ZINC000005485398 560597096 /nfs/dbraw/zinc/59/70/96/560597096.db2.gz SEKZDOVXDDHTAY-GOSISDBHSA-N 0 0 413.514 5.228 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(C)c2)cc1 ZINC000005485558 557656847 /nfs/dbraw/zinc/65/68/47/557656847.db2.gz BZTSQZOSCHOFHE-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(C)c2)cc1 ZINC000005485606 557656907 /nfs/dbraw/zinc/65/69/07/557656907.db2.gz UGAVSNHMOOJHCV-YRNVUSSQSA-N 0 0 413.546 6.057 50 0 HKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2Cl)cc1 ZINC000005485653 560597091 /nfs/dbraw/zinc/59/70/91/560597091.db2.gz UJWGFKFTUBCEGA-JXMROGBWSA-N 0 0 417.965 6.702 50 0 HKAARN CCC(=O)C1=C(c2ccccc2)SC(N)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000005485682 569017948 /nfs/dbraw/zinc/01/79/48/569017948.db2.gz GLHNDJIPBQDXHA-SFHVURJKSA-N 0 0 414.452 5.620 50 0 HKAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 ZINC000005485705 557656805 /nfs/dbraw/zinc/65/68/05/557656805.db2.gz XRJDBGWFQIKPAS-UHFFFAOYSA-N 0 0 415.518 5.226 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000005485709 557657029 /nfs/dbraw/zinc/65/70/29/557657029.db2.gz ABFHKSVTYXSBKL-UHFFFAOYSA-N 0 0 418.497 5.113 50 0 HKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 ZINC000005485973 535295077 /nfs/dbraw/zinc/29/50/77/535295077.db2.gz SLNSERRUCFDIAS-NBGIEHNGSA-N 0 0 412.533 5.539 50 0 HKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 ZINC000005485989 535296881 /nfs/dbraw/zinc/29/68/81/535296881.db2.gz SLNSERRUCFDIAS-CPJSRVTESA-N 0 0 412.533 5.539 50 0 HKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 ZINC000005486001 535294936 /nfs/dbraw/zinc/29/49/36/535294936.db2.gz SLNSERRUCFDIAS-CJFMBICVSA-N 0 0 412.533 5.539 50 0 HKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 ZINC000005486015 535296337 /nfs/dbraw/zinc/29/63/37/535296337.db2.gz SLNSERRUCFDIAS-NLFFAJNJSA-N 0 0 412.533 5.539 50 0 HKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CN21 ZINC000005488748 560597753 /nfs/dbraw/zinc/59/77/53/560597753.db2.gz KMXYRPUVIXGSDF-MJAMSPNLSA-N 0 0 424.544 5.211 50 0 HKAARN O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005489186 557657224 /nfs/dbraw/zinc/65/72/24/557657224.db2.gz DCHYDZKWRVSCIG-XCZPVHLTSA-N 0 0 404.509 6.710 50 0 HKAARN COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)cc(Cl)c1OC(C)C ZINC000005489544 560597869 /nfs/dbraw/zinc/59/78/69/560597869.db2.gz HMCSAMIPIISHEX-UHFFFAOYSA-N 0 0 401.846 5.148 50 0 HKAARN Clc1ccccc1N1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC000005489895 132306409 /nfs/dbraw/zinc/30/64/09/132306409.db2.gz PRPLTWCHMKKRIZ-UHFFFAOYSA-N 0 0 412.971 5.400 50 0 HKAARN O=c1cc(CNc2cccc(C(F)(F)F)c2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000005490155 560597958 /nfs/dbraw/zinc/59/79/58/560597958.db2.gz DASIQCNZGQAZHA-UHFFFAOYSA-N 0 0 411.379 5.797 50 0 HKAARN CCn1c2ccccc2c2nnc(SCc3csc(-c4ccccc4)n3)nc21 ZINC000005490514 560598104 /nfs/dbraw/zinc/59/81/04/560598104.db2.gz VYJVWQHTPJHYTI-UHFFFAOYSA-N 0 0 403.536 5.415 50 0 HKAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000005492285 560598629 /nfs/dbraw/zinc/59/86/29/560598629.db2.gz HKRHYSLVRKKGFD-HSZRJFAPSA-N 0 0 414.461 5.103 50 0 HKAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000005492286 560598590 /nfs/dbraw/zinc/59/85/90/560598590.db2.gz HKRHYSLVRKKGFD-QHCPKHFHSA-N 0 0 414.461 5.103 50 0 HKAARN CC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc4ccccc4c3)cc12 ZINC000005495668 557657560 /nfs/dbraw/zinc/65/75/60/557657560.db2.gz QYUQWQNFWIVLEE-UHFFFAOYSA-N 0 0 408.432 5.727 50 0 HKAARN CC(C)(C)NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C ZINC000005496304 560598107 /nfs/dbraw/zinc/59/81/07/560598107.db2.gz JWXNBHLMTHEPFQ-UHFFFAOYSA-N 0 0 414.644 6.241 50 0 HKAARN CC(C)(C)P(=NC(=O)COc1ccccc1)(N1CCCCC1)N1CCCCC1 ZINC000005496365 560598098 /nfs/dbraw/zinc/59/80/98/560598098.db2.gz HVMGZCWJSCLFLF-UHFFFAOYSA-N 0 0 405.523 5.394 50 0 HKAARN CC(C)(C)P(=NC(=O)Nc1ccccc1)(N1CCCCCC1)N1CCCCCC1 ZINC000005496370 560598087 /nfs/dbraw/zinc/59/80/87/560598087.db2.gz NHOHYMJRNKZZFO-UHFFFAOYSA-N 0 0 418.566 6.800 50 0 HKAARN CC(C)(C)P(=NC(=S)N1CCCC1)(N1CCCCCC1)N1CCCCCC1 ZINC000005496374 560626795 /nfs/dbraw/zinc/62/67/95/560626795.db2.gz SDFJKHZFZSDINB-UHFFFAOYSA-N 0 0 412.628 5.949 50 0 HKAARN CC(C)(C)P(=Nc1cc(Cl)ccc1Cl)(N1CCCCC1)N1CCCCC1 ZINC000005496401 560626724 /nfs/dbraw/zinc/62/67/24/560626724.db2.gz SJNRHTIXUWPBNE-UHFFFAOYSA-N 0 0 416.377 7.426 50 0 HKAARN CC(C)(C)[P@@](=Nc1cc(Cl)ccc1Cl)(c1ccccc1)N1CCOCC1 ZINC000005496423 560598072 /nfs/dbraw/zinc/59/80/72/560598072.db2.gz XJZJDIDZBLEAKR-AREMUKBSSA-N 0 0 411.313 6.197 50 0 HKAARN COc1ccc(Cl)cc1N=[P@](c1ccncc1)(N1CCCCCC1)C(C)(C)C ZINC000005496426 560598073 /nfs/dbraw/zinc/59/80/73/560598073.db2.gz SMISLRVTJDASHI-MUUNZHRXSA-N 0 0 419.937 6.491 50 0 HKAARN CC(C)(C)[P@@](=Nc1cccc2ccccc21)(c1ccncc1)N1CCCCCC1 ZINC000005496434 560598071 /nfs/dbraw/zinc/59/80/71/560598071.db2.gz PRDCZINTJIQXCF-GDLZYMKVSA-N 0 0 405.526 6.983 50 0 HKAARN CC(C)(C)[P@@](=Nc1ccccc1C(F)(F)F)(c1ccncc1)N1CCCCCC1 ZINC000005496442 560598095 /nfs/dbraw/zinc/59/80/95/560598095.db2.gz ZEICXVJCLWKVHT-GDLZYMKVSA-N 0 0 423.463 6.848 50 0 HKAARN CC(C)(C)[P@](=Nc1cc(Cl)ccc1Cl)(c1ccccc1)N1CCOCC1 ZINC000005496487 560626682 /nfs/dbraw/zinc/62/66/82/560626682.db2.gz XJZJDIDZBLEAKR-SANMLTNESA-N 0 0 411.313 6.197 50 0 HKAARN COc1ccc(Cl)cc1N=[P@@](c1ccncc1)(N1CCCCCC1)C(C)(C)C ZINC000005496492 560598093 /nfs/dbraw/zinc/59/80/93/560598093.db2.gz SMISLRVTJDASHI-NDEPHWFRSA-N 0 0 419.937 6.491 50 0 HKAARN CC(C)(C)[P@](=Nc1cccc2ccccc21)(c1ccncc1)N1CCCCCC1 ZINC000005496506 560598191 /nfs/dbraw/zinc/59/81/91/560598191.db2.gz PRDCZINTJIQXCF-LJAQVGFWSA-N 0 0 405.526 6.983 50 0 HKAARN CC(C)(C)[P@](=Nc1ccccc1C(F)(F)F)(c1ccncc1)N1CCCCCC1 ZINC000005496514 560598135 /nfs/dbraw/zinc/59/81/35/560598135.db2.gz ZEICXVJCLWKVHT-LJAQVGFWSA-N 0 0 423.463 6.848 50 0 HKAARN COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000005497509 560598156 /nfs/dbraw/zinc/59/81/56/560598156.db2.gz SGOZEAZMJMAMAT-AWEZNQCLSA-N 0 0 421.449 5.018 50 0 HKAARN COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000005497513 560598196 /nfs/dbraw/zinc/59/81/96/560598196.db2.gz SGOZEAZMJMAMAT-CQSZACIVSA-N 0 0 421.449 5.018 50 0 HKAARN Cc1oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000005497865 560598174 /nfs/dbraw/zinc/59/81/74/560598174.db2.gz QOSSDWUZJCESQV-KRWDZBQOSA-N 0 0 413.473 5.025 50 0 HKAARN Cc1oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000005497870 560598165 /nfs/dbraw/zinc/59/81/65/560598165.db2.gz QOSSDWUZJCESQV-QGZVFWFLSA-N 0 0 413.473 5.025 50 0 HKAARN Cc1oc2cc(OCC(=O)NCCC3=CCCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000005497917 560598172 /nfs/dbraw/zinc/59/81/72/560598172.db2.gz OWJADPIPLOEIFO-UHFFFAOYSA-N 0 0 417.505 5.154 50 0 biogenic HKAARN O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(Br)cc1F ZINC000005498124 560598280 /nfs/dbraw/zinc/59/82/80/560598280.db2.gz UBGCCLXMOFEKKT-UHFFFAOYSA-N 0 0 413.246 5.240 50 0 HKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005498170 560598265 /nfs/dbraw/zinc/59/82/65/560598265.db2.gz PKWHFQBNJBRWIK-UHFFFAOYSA-N 0 0 413.443 6.896 50 0 HKAARN Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c(Br)c1 ZINC000005498197 560598284 /nfs/dbraw/zinc/59/82/84/560598284.db2.gz ASUJUXQHUADGOF-UHFFFAOYSA-N 0 0 409.283 5.410 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000005498386 557658029 /nfs/dbraw/zinc/65/80/29/557658029.db2.gz QHNQNUOKROZDAD-PKOBYXMFSA-N 0 0 405.723 5.628 50 0 HKAARN CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005498391 569071943 /nfs/dbraw/zinc/07/19/43/569071943.db2.gz ZAIFMZZEMNREOG-JTHBVZDNSA-N 0 0 411.332 6.672 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000005498432 557658034 /nfs/dbraw/zinc/65/80/34/557658034.db2.gz QHNQNUOKROZDAD-HKUYNNGSSA-N 0 0 405.723 5.628 50 0 HKAARN CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005498435 569071974 /nfs/dbraw/zinc/07/19/74/569071974.db2.gz ZAIFMZZEMNREOG-GMAHTHKFSA-N 0 0 411.332 6.672 50 0 HKAARN CC(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000005498588 560598286 /nfs/dbraw/zinc/59/82/86/560598286.db2.gz OXOJZYITOBBDIY-UHFFFAOYSA-N 0 0 412.583 7.618 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1OC ZINC000005498799 557658031 /nfs/dbraw/zinc/65/80/31/557658031.db2.gz WGNKXOZIGDLBFP-UHFFFAOYSA-N 0 0 424.570 5.002 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005499158 560598288 /nfs/dbraw/zinc/59/82/88/560598288.db2.gz JMFFWHWRDVEGNE-UHFFFAOYSA-N 0 0 424.570 5.002 50 0 HKAARN CCC(=O)N(CC[C@@H](CCC(C)C)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000005499185 560598260 /nfs/dbraw/zinc/59/82/60/560598260.db2.gz LGKRMPAXHYCDNC-RUZDIDTESA-N 0 0 409.614 6.823 50 0 HKAARN CCC(=O)N(CC[C@H](CCC(C)C)c1ccc(OC(C)C)cc1)Cc1ccccc1 ZINC000005499189 560598271 /nfs/dbraw/zinc/59/82/71/560598271.db2.gz LGKRMPAXHYCDNC-VWLOTQADSA-N 0 0 409.614 6.823 50 0 HKAARN COc1ccc([C@H](CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000005499202 560598282 /nfs/dbraw/zinc/59/82/82/560598282.db2.gz IXDJVYFGNNFCND-RUZDIDTESA-N 0 0 421.512 5.460 50 0 HKAARN COc1ccc([C@@H](CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000005499207 560598281 /nfs/dbraw/zinc/59/82/81/560598281.db2.gz IXDJVYFGNNFCND-VWLOTQADSA-N 0 0 421.512 5.460 50 0 HKAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000005499241 560598276 /nfs/dbraw/zinc/59/82/76/560598276.db2.gz CCXGCWNETHEYAK-KXKDPZRNSA-N 0 0 421.588 5.194 50 0 HKAARN CCC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2 ZINC000005499606 560598421 /nfs/dbraw/zinc/59/84/21/560598421.db2.gz KAWUJMNGISYSQG-UHFFFAOYSA-N 0 0 416.952 6.966 50 0 HKAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000005499635 557658149 /nfs/dbraw/zinc/65/81/49/557658149.db2.gz NRJBKJKMAXPEQI-UHFFFAOYSA-N 0 0 424.570 5.040 50 0 HKAARN CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cccc(C)c3nc21 ZINC000005499799 560598349 /nfs/dbraw/zinc/59/83/49/560598349.db2.gz TUIFRKGNWQTMEM-UHFFFAOYSA-N 0 0 414.553 6.243 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 ZINC000005499954 557658188 /nfs/dbraw/zinc/65/81/88/557658188.db2.gz WQPPDSSFCZISQM-UHFFFAOYSA-N 0 0 408.752 5.673 50 0 HKAARN CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005499987 569071966 /nfs/dbraw/zinc/07/19/66/569071966.db2.gz ZPSLDIAENUSYCF-FQEVSTJZSA-N 0 0 407.311 5.882 50 0 HKAARN CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005500044 569071934 /nfs/dbraw/zinc/07/19/34/569071934.db2.gz ZPSLDIAENUSYCF-HXUWFJFHSA-N 0 0 407.311 5.882 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000005500047 557658234 /nfs/dbraw/zinc/65/82/34/557658234.db2.gz DHXRDHMATGYCEF-UHFFFAOYSA-N 0 0 414.962 5.473 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005500071 560598406 /nfs/dbraw/zinc/59/84/06/560598406.db2.gz FICIGJXTRMGEQY-UHFFFAOYSA-N 0 0 408.571 5.302 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000005500094 560598378 /nfs/dbraw/zinc/59/83/78/560598378.db2.gz VRMPIYZQGZRCII-UHFFFAOYSA-N 0 0 400.429 5.435 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(C)c1 ZINC000005500285 557658421 /nfs/dbraw/zinc/65/84/21/557658421.db2.gz TWINYLMUDOXRKH-UHFFFAOYSA-N 0 0 408.571 5.302 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1Cl ZINC000005500565 560601073 /nfs/dbraw/zinc/60/10/73/560601073.db2.gz JTSYQPMRZGQARV-UHFFFAOYSA-N 0 0 408.752 5.673 50 0 HKAARN CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000005500599 557658436 /nfs/dbraw/zinc/65/84/36/557658436.db2.gz XQATWBUTDUZOFT-UHFFFAOYSA-N 0 0 408.354 5.785 50 0 HKAARN CC(C)Oc1ccc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)cc1 ZINC000005500639 560601115 /nfs/dbraw/zinc/60/11/15/560601115.db2.gz USCRIWZKADKJBM-UHFFFAOYSA-N 0 0 414.457 5.390 50 0 HKAARN CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000005500643 557658415 /nfs/dbraw/zinc/65/84/15/557658415.db2.gz BGSFNHXGSLCXAB-UHFFFAOYSA-N 0 0 407.461 5.497 50 0 HKAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005500688 557658331 /nfs/dbraw/zinc/65/83/31/557658331.db2.gz KKIPCBGWVJKFOM-UHFFFAOYSA-N 0 0 412.534 5.132 50 0 HKAARN CCC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000005500754 560601101 /nfs/dbraw/zinc/60/11/01/560601101.db2.gz QENJVBKWMLEYGE-RUZDIDTESA-N 0 0 423.528 6.167 50 0 HKAARN CCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000005500756 560601119 /nfs/dbraw/zinc/60/11/19/560601119.db2.gz QENJVBKWMLEYGE-VWLOTQADSA-N 0 0 423.528 6.167 50 0 HKAARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc(C)cc3)c2c1 ZINC000005501077 560601103 /nfs/dbraw/zinc/60/11/03/560601103.db2.gz UZZCNFCEJTVHLY-NTEUORMPSA-N 0 0 407.473 5.354 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c1 ZINC000005501187 557658386 /nfs/dbraw/zinc/65/83/86/557658386.db2.gz MONZVAOSVAQSDX-UHFFFAOYSA-N 0 0 409.942 6.149 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3SCc2ccc(Br)cc2)cc1 ZINC000005501292 560601171 /nfs/dbraw/zinc/60/11/71/560601171.db2.gz KUHBVMOPAIVSEZ-UHFFFAOYSA-N 0 0 411.328 5.179 50 0 HKAARN O=C1CS[C@H](c2ccc(Br)cc2)c2cnn(C3CCCCC3)c2N1 ZINC000005501356 560601188 /nfs/dbraw/zinc/60/11/88/560601188.db2.gz RYAHVEFNYPFSQZ-QGZVFWFLSA-N 0 0 406.349 5.575 50 0 HKAARN O=C1CS[C@@H](c2ccc(Br)cc2)c2cnn(C3CCCCC3)c2N1 ZINC000005501358 560601191 /nfs/dbraw/zinc/60/11/91/560601191.db2.gz RYAHVEFNYPFSQZ-KRWDZBQOSA-N 0 0 406.349 5.575 50 0 HKAARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3C)c2c1 ZINC000005501402 560601147 /nfs/dbraw/zinc/60/11/47/560601147.db2.gz NDOSWDOKKWFVNB-SDNWHVSQSA-N 0 0 407.473 5.354 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Cl ZINC000005501538 560601151 /nfs/dbraw/zinc/60/11/51/560601151.db2.gz MQMAEZFNHUTMOS-UHFFFAOYSA-N 0 0 407.326 5.003 50 0 HKAARN CCCCCCNC(=O)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000005502072 557658599 /nfs/dbraw/zinc/65/85/99/557658599.db2.gz SOHYKCDPQJLBHI-XSFVSMFZSA-N 0 0 419.352 5.461 50 0 HKAARN CCCCCOC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005502892 557658654 /nfs/dbraw/zinc/65/86/54/557658654.db2.gz FWUZABDNRHPTAG-UHFFFAOYSA-N 0 0 410.577 6.779 50 0 HKAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1 ZINC000005505180 560598747 /nfs/dbraw/zinc/59/87/47/560598747.db2.gz AUIFPNDNYGRNAT-JOCHJYFZSA-N 0 0 417.509 5.358 50 0 HKAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1 ZINC000005505181 560598748 /nfs/dbraw/zinc/59/87/48/560598748.db2.gz AUIFPNDNYGRNAT-QFIPXVFZSA-N 0 0 417.509 5.358 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000005505842 560598844 /nfs/dbraw/zinc/59/88/44/560598844.db2.gz IOKVAZHFOHRIBS-UHFFFAOYSA-N 0 0 415.489 5.404 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1 ZINC000005508248 560599327 /nfs/dbraw/zinc/59/93/27/560599327.db2.gz QSPUDPJJKMPYSR-UHFFFAOYSA-N 0 0 409.869 5.023 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000005509029 560600177 /nfs/dbraw/zinc/60/01/77/560600177.db2.gz NDELAYVOALSVNP-UHFFFAOYSA-N 0 0 402.329 5.467 50 0 HKAARN O=C(Nc1cccc(NC(=O)NC2CCCCCCC2)c1)NC1CCCCCCC1 ZINC000005512499 557659040 /nfs/dbraw/zinc/65/90/40/557659040.db2.gz PMUKDTYNCVPZDC-UHFFFAOYSA-N 0 0 414.594 6.155 50 0 HKAARN O=C(NCCCCCCNC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl ZINC000005514978 560603568 /nfs/dbraw/zinc/60/35/68/560603568.db2.gz HOZWSDGENMHSNJ-UHFFFAOYSA-N 0 0 423.344 5.497 50 0 HKAARN Brc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000005515211 560603638 /nfs/dbraw/zinc/60/36/38/560603638.db2.gz ZVEUCCWAZXLQNG-NSFRLNINSA-N 0 0 403.323 6.470 50 0 HKAARN Brc1cccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000005515213 560603586 /nfs/dbraw/zinc/60/35/86/560603586.db2.gz ZVEUCCWAZXLQNG-WOOPDLCSSA-N 0 0 403.323 6.470 50 0 HKAARN FC(F)(F)c1cnc(CSc2nccc(/C=C/c3ccccc3)n2)c(Cl)c1 ZINC000005515255 560603620 /nfs/dbraw/zinc/60/36/20/560603620.db2.gz FSSKGCVOEKIGHZ-VOTSOKGWSA-N 0 0 407.848 6.007 50 0 HKAARN c1ccc(C(Sc2nc3ccccc3s2)(c2ccccc2)c2ccccc2)cc1 ZINC000005515756 557659118 /nfs/dbraw/zinc/65/91/18/557659118.db2.gz WNPALTCIKPIRCF-UHFFFAOYSA-N 0 0 409.579 7.381 50 0 HKAARN c1ccc(C(c2nnc(C3c4ccccc4-c4ccccc43)o2)c2ccccc2)cc1 ZINC000005515801 560603917 /nfs/dbraw/zinc/60/39/17/560603917.db2.gz BNTQZWZTHXFALS-UHFFFAOYSA-N 0 0 400.481 6.410 50 0 HKAARN Cc1nn2c(nc(C(C)(C)C)cc2NCc2ccccn2)c1-c1ccc(Cl)cc1 ZINC000005516000 557659180 /nfs/dbraw/zinc/65/91/80/557659180.db2.gz NZLNGQXGCHJJIE-UHFFFAOYSA-N 0 0 405.933 5.663 50 0 HKAARN Cc1nn2c(nc(C(C)(C)C)cc2NCc2cccnc2)c1-c1ccc(Cl)cc1 ZINC000005516038 557659189 /nfs/dbraw/zinc/65/91/89/557659189.db2.gz TVNZNVFNCSFYTD-UHFFFAOYSA-N 0 0 405.933 5.663 50 0 HKAARN COc1ccc(-n2c(N)c(C(=O)Nc3cccc4ccccc43)sc2=S)cc1 ZINC000005516089 560604065 /nfs/dbraw/zinc/60/40/65/560604065.db2.gz ZIGWMRRMWKJOFL-UHFFFAOYSA-N 0 0 407.520 5.265 50 0 HKAARN CCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2cccnc2)cc1 ZINC000005516103 560604094 /nfs/dbraw/zinc/60/40/94/560604094.db2.gz ZYRFOALAQAROBW-LCUIJRPUSA-N 0 0 401.535 5.599 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c(C)c1 ZINC000005516276 560604290 /nfs/dbraw/zinc/60/42/90/560604290.db2.gz KUAFDYRCPVDPOT-INIZCTEOSA-N 0 0 419.546 6.128 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c(C)c1 ZINC000005516278 560604324 /nfs/dbraw/zinc/60/43/24/560604324.db2.gz KUAFDYRCPVDPOT-MRXNPFEDSA-N 0 0 419.546 6.128 50 0 HKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2NCc2cccnc2)c1-c1ccccc1 ZINC000005516355 557659113 /nfs/dbraw/zinc/65/91/13/557659113.db2.gz DSOQUHDYONPRMD-UHFFFAOYSA-N 0 0 419.532 5.611 50 0 HKAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Br)c(C)c2)CO1 ZINC000005516369 535776909 /nfs/dbraw/zinc/77/69/09/535776909.db2.gz IEEHUGUANPMEDQ-UHFFFAOYSA-N 0 0 414.299 5.173 50 0 HKAARN CCCCc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000005516477 560604403 /nfs/dbraw/zinc/60/44/03/560604403.db2.gz OGBOJQDBMYRJCH-UHFFFAOYSA-N 0 0 404.945 6.753 50 0 HKAARN Clc1ccc(CSCc2cc(N3CCCCC3)nc(-c3ccccc3)n2)cc1 ZINC000005516841 132306550 /nfs/dbraw/zinc/30/65/50/132306550.db2.gz MWEAHHHBTXLQNF-UHFFFAOYSA-N 0 0 409.986 6.221 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1 ZINC000005517607 560626852 /nfs/dbraw/zinc/62/68/52/560626852.db2.gz GMEBRSMXHBOVCQ-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN CCOC(=O)CCCCCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000005517997 560604560 /nfs/dbraw/zinc/60/45/60/560604560.db2.gz STNUGJMBNKIZJB-UHFFFAOYSA-N 0 0 414.571 5.254 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2CC)cc1 ZINC000005518003 557659128 /nfs/dbraw/zinc/65/91/28/557659128.db2.gz ISMKPHHJXPDGDK-MRXNPFEDSA-N 0 0 424.570 5.218 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2CC)cc1 ZINC000005518005 557659200 /nfs/dbraw/zinc/65/92/00/557659200.db2.gz ISMKPHHJXPDGDK-INIZCTEOSA-N 0 0 424.570 5.218 50 0 HKAARN Clc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 ZINC000005518096 560604688 /nfs/dbraw/zinc/60/46/88/560604688.db2.gz IZHOKLISFDERLT-UHFFFAOYSA-N 0 0 404.947 7.148 50 0 HKAARN COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000005518233 560602769 /nfs/dbraw/zinc/60/27/69/560602769.db2.gz YZSZILUABQDXCL-XHEFNCKESA-N 0 0 400.931 5.290 50 0 HKAARN COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 ZINC000005518234 560602805 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Cc1cc(Nc2ccc(C(=O)OCC(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000005520736 560605233 /nfs/dbraw/zinc/60/52/33/560605233.db2.gz KXFLKOFZHBDHEB-UHFFFAOYSA-N 0 0 402.416 6.118 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(C(C)=O)c1 ZINC000005520836 560605223 /nfs/dbraw/zinc/60/52/23/560605223.db2.gz QDGQQJKNCMMWDM-UHFFFAOYSA-N 0 0 402.372 5.377 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(C)=O)cc1 ZINC000005520842 560605219 /nfs/dbraw/zinc/60/52/19/560605219.db2.gz OFKRPLRJGTXMHD-UHFFFAOYSA-N 0 0 402.372 5.377 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(N(C)C)cc1 ZINC000005520844 557659637 /nfs/dbraw/zinc/65/96/37/557659637.db2.gz BCOVJSXEJSOGKO-UHFFFAOYSA-N 0 0 403.404 5.240 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000005520853 560605224 /nfs/dbraw/zinc/60/52/24/560605224.db2.gz YYFCEGZHJIDDQT-UHFFFAOYSA-N 0 0 417.387 5.132 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(SC)cc1 ZINC000005520860 560605349 /nfs/dbraw/zinc/60/53/49/560605349.db2.gz 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560605056 /nfs/dbraw/zinc/60/50/56/560605056.db2.gz NMSYRUNIBNSFBG-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)C1 ZINC000005528020 560605218 /nfs/dbraw/zinc/60/52/18/560605218.db2.gz OPNZENHKMVKVTH-OAHLLOKOSA-N 0 0 409.327 5.536 50 0 HKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[C@H](C)CC2 ZINC000005528145 560605225 /nfs/dbraw/zinc/60/52/25/560605225.db2.gz TUZAPTKWDJZMBJ-OAHLLOKOSA-N 0 0 413.583 5.988 50 0 HKAARN COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1OC ZINC000005528301 560605243 /nfs/dbraw/zinc/60/52/43/560605243.db2.gz JINFMNIJBGLYFR-IAGOWNOFSA-N 0 0 404.510 5.037 50 0 HKAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)N(C1CCCCC1)C1CCCCC1 ZINC000005528412 560605231 /nfs/dbraw/zinc/60/52/31/560605231.db2.gz RDGZMHHUXSDDFI-UHFFFAOYSA-N 0 0 423.586 5.092 50 0 HKAARN CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005528857 560605360 /nfs/dbraw/zinc/60/53/60/560605360.db2.gz KSCAGNKTAQLIBF-DAHSEUATSA-N 0 0 408.545 6.804 50 0 HKAARN CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000005528858 560605354 /nfs/dbraw/zinc/60/53/54/560605354.db2.gz KSCAGNKTAQLIBF-ITPIWRKBSA-N 0 0 408.545 6.804 50 0 HKAARN C[C@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)C1 ZINC000005529198 560605113 /nfs/dbraw/zinc/60/51/13/560605113.db2.gz OPNZENHKMVKVTH-HNNXBMFYSA-N 0 0 409.327 5.536 50 0 HKAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[C@@H](C)CC2 ZINC000005529412 560605711 /nfs/dbraw/zinc/60/57/11/560605711.db2.gz TUZAPTKWDJZMBJ-HNNXBMFYSA-N 0 0 413.583 5.988 50 0 HKAARN COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1OC ZINC000005529526 560605809 /nfs/dbraw/zinc/60/58/09/560605809.db2.gz JINFMNIJBGLYFR-IRXDYDNUSA-N 0 0 404.510 5.037 50 0 HKAARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000005529628 557693013 /nfs/dbraw/zinc/69/30/13/557693013.db2.gz YYJQALYDDZZWSF-FCSLNGLYSA-N 0 0 400.603 5.335 50 0 HKAARN 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Cc1nn2c(nc(C)c(Cc3ccccc3)c2Nc2ccc(F)cc2)c1-c1ccccc1 ZINC000005532949 560606186 /nfs/dbraw/zinc/60/61/86/560606186.db2.gz LVJHZGWCINRRQJ-UHFFFAOYSA-N 0 0 422.507 6.487 50 0 HKAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCCC(C)C)n2)CC(C)(C)OC4)n1 ZINC000005533518 560606157 /nfs/dbraw/zinc/60/61/57/560606157.db2.gz FVABRBYWAAUXJA-UHFFFAOYSA-N 0 0 416.616 5.483 50 0 HKAARN COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1Cl)nn3CC(C)C ZINC000005533839 560606151 /nfs/dbraw/zinc/60/61/51/560606151.db2.gz ZDKYHUGQVOSVED-UHFFFAOYSA-N 0 0 408.889 5.155 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000005536445 560606348 /nfs/dbraw/zinc/60/63/48/560606348.db2.gz GJHIOHKZHBQCPE-UHFFFAOYSA-N 0 0 416.908 6.146 50 0 HKAARN Cc1cc2nc(-c3cc(NC(=O)c4cccc(Cl)c4)ccc3Cl)oc2cc1C ZINC000005537922 560606372 /nfs/dbraw/zinc/60/63/72/560606372.db2.gz JAVBFGUGRZEXHL-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000005538602 560606506 /nfs/dbraw/zinc/60/65/06/560606506.db2.gz WKWHKUWGSJLCMU-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)c(C)c1 ZINC000005538684 560606508 /nfs/dbraw/zinc/60/65/08/560606508.db2.gz FYRCDKYSHUTRJU-UHFFFAOYSA-N 0 0 400.909 6.733 50 0 HKAARN Cc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4)n2)CCCC3)cc1 ZINC000005541265 560607276 /nfs/dbraw/zinc/60/72/76/560607276.db2.gz BTOPFZLMXACILM-UHFFFAOYSA-N 0 0 413.011 6.761 50 0 HKAARN Cc1ccc(CSc2nc3c(c(Sc4cccc(Cl)c4)n2)CCCC3)cc1 ZINC000005541273 560607305 /nfs/dbraw/zinc/60/73/05/560607305.db2.gz PWKLFVGGHPIGJE-UHFFFAOYSA-N 0 0 413.011 6.761 50 0 HKAARN Cc1ccc(CSc2nc3c(c(Sc4ccccc4Cl)n2)CCCC3)cc1 ZINC000005541278 560607301 /nfs/dbraw/zinc/60/73/01/560607301.db2.gz AUFCURWKGZOQTP-UHFFFAOYSA-N 0 0 413.011 6.761 50 0 HKAARN Cc1ccc(Oc2cc(Sc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 ZINC000005541812 560607280 /nfs/dbraw/zinc/60/72/80/560607280.db2.gz BTSQXAMMUMTVDR-UHFFFAOYSA-N 0 0 404.922 7.049 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 ZINC000005543756 560607429 /nfs/dbraw/zinc/60/74/29/560607429.db2.gz NMMVZLBIIDUZFL-UHFFFAOYSA-N 0 0 418.356 5.138 50 0 HKAARN O=c1cc(-c2ccccc2)c2cc3c(cc2o1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000005543831 560607419 /nfs/dbraw/zinc/60/74/19/560607419.db2.gz PVQZVGBYJXBGRH-UHFFFAOYSA-N 0 0 414.460 7.540 50 0 HKAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(-c4ccccc4)cc3)c12 ZINC000005543879 560607445 /nfs/dbraw/zinc/60/74/45/560607445.db2.gz YDNPDCRIURLVQV-UHFFFAOYSA-N 0 0 412.485 5.983 50 0 HKAARN CCOc1ccc(Oc2c(C)oc3cc(O[C@@H](C)c4ccccc4)ccc3c2=O)cc1 ZINC000005543921 557660502 /nfs/dbraw/zinc/66/05/02/557660502.db2.gz YIXONLSWKJRORC-KRWDZBQOSA-N 0 0 416.473 6.432 50 0 HKAARN CCOc1ccc(Oc2c(C)oc3cc(O[C@H](C)c4ccccc4)ccc3c2=O)cc1 ZINC000005543923 557660506 /nfs/dbraw/zinc/66/05/06/557660506.db2.gz YIXONLSWKJRORC-QGZVFWFLSA-N 0 0 416.473 6.432 50 0 HKAARN Cc1cc(C)c(C)c(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1C ZINC000005545410 560607512 /nfs/dbraw/zinc/60/75/12/560607512.db2.gz CQYFZRUZRNNPBN-SDNWHVSQSA-N 0 0 400.953 7.142 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000005545736 560607500 /nfs/dbraw/zinc/60/75/00/560607500.db2.gz YHYMBZZYSUZGSV-QGZVFWFLSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000005545738 560607503 /nfs/dbraw/zinc/60/75/03/560607503.db2.gz YHYMBZZYSUZGSV-KRWDZBQOSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000005545755 560607519 /nfs/dbraw/zinc/60/75/19/560607519.db2.gz SJWGGLLXGOAZHU-KRWDZBQOSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000005545757 560607527 /nfs/dbraw/zinc/60/75/27/560607527.db2.gz SJWGGLLXGOAZHU-QGZVFWFLSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)c1 ZINC000005545759 560607489 /nfs/dbraw/zinc/60/74/89/560607489.db2.gz IMYICPNYWCSHCP-KRWDZBQOSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)c1 ZINC000005545761 560607528 /nfs/dbraw/zinc/60/75/28/560607528.db2.gz IMYICPNYWCSHCP-QGZVFWFLSA-N 0 0 403.913 5.537 50 0 HKAARN C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000005545764 560607538 /nfs/dbraw/zinc/60/75/38/560607538.db2.gz GIEIGKZSUPVGIX-KRWDZBQOSA-N 0 0 403.913 5.158 50 0 HKAARN C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000005545767 560607514 /nfs/dbraw/zinc/60/75/14/560607514.db2.gz GIEIGKZSUPVGIX-QGZVFWFLSA-N 0 0 403.913 5.158 50 0 HKAARN Cc1ccc(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000005545852 560607491 /nfs/dbraw/zinc/60/74/91/560607491.db2.gz QVUPGDFUVURRCN-UHFFFAOYSA-N 0 0 403.913 5.019 50 0 HKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000005545880 560607495 /nfs/dbraw/zinc/60/74/95/560607495.db2.gz GNZJZPPXMCLCJG-UHFFFAOYSA-N 0 0 403.913 5.101 50 0 HKAARN O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000005545884 560607502 /nfs/dbraw/zinc/60/75/02/560607502.db2.gz GPMGFUINOGYUQW-UHFFFAOYSA-N 0 0 403.913 5.101 50 0 HKAARN O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000005545896 560607505 /nfs/dbraw/zinc/60/75/05/560607505.db2.gz QUNJOWSFIKSRJB-UHFFFAOYSA-N 0 0 417.940 5.030 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(F)cc2)c1 ZINC000005545910 560607493 /nfs/dbraw/zinc/60/74/93/560607493.db2.gz VKFUPIVVXXEBQN-GOSISDBHSA-N 0 0 401.485 5.332 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(F)cc2)c1 ZINC000005545911 560607523 /nfs/dbraw/zinc/60/75/23/560607523.db2.gz VKFUPIVVXXEBQN-SFHVURJKSA-N 0 0 401.485 5.332 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000005545912 560607478 /nfs/dbraw/zinc/60/74/78/560607478.db2.gz OXUBEGGZCJDNRJ-QGZVFWFLSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000005545913 560607535 /nfs/dbraw/zinc/60/75/35/560607535.db2.gz OXUBEGGZCJDNRJ-KRWDZBQOSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c1C ZINC000005545992 560607485 /nfs/dbraw/zinc/60/74/85/560607485.db2.gz XHUASKMLKWDHEP-UHFFFAOYSA-N 0 0 405.586 5.413 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000005546029 560607623 /nfs/dbraw/zinc/60/76/23/560607623.db2.gz VGVSVSLLPGUTSD-LBNVMWSVSA-N 0 0 420.512 6.481 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000005546032 560607625 /nfs/dbraw/zinc/60/76/25/560607625.db2.gz VGVSVSLLPGUTSD-LSYYVWMOSA-N 0 0 420.512 6.481 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 ZINC000005546061 557660527 /nfs/dbraw/zinc/66/05/27/557660527.db2.gz WSHXDXKCIIUSOX-RDTXWAMCSA-N 0 0 401.285 5.346 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000005546087 560607648 /nfs/dbraw/zinc/60/76/48/560607648.db2.gz LRKCLMUKMSOCKB-JTHBVZDNSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000005546088 560607642 /nfs/dbraw/zinc/60/76/42/560607642.db2.gz LRKCLMUKMSOCKB-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000005546107 569072031 /nfs/dbraw/zinc/07/20/31/569072031.db2.gz GAEHUSRNWGAWOS-AZGAKELHSA-N 0 0 410.904 6.736 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000005546110 569072016 /nfs/dbraw/zinc/07/20/16/569072016.db2.gz GAEHUSRNWGAWOS-AOYPEHQESA-N 0 0 410.904 6.736 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000005547608 560607787 /nfs/dbraw/zinc/60/77/87/560607787.db2.gz PXNQWUDHCGTFAP-WMZHIEFXSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000005547609 560607794 /nfs/dbraw/zinc/60/77/94/560607794.db2.gz PXNQWUDHCGTFAP-CVDCTZTESA-N 0 0 406.507 5.398 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000005547610 560607749 /nfs/dbraw/zinc/60/77/49/560607749.db2.gz FPNIYRJNWXBKMF-XMSQKQJNSA-N 0 0 408.548 5.721 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000005547611 560607759 /nfs/dbraw/zinc/60/77/59/560607759.db2.gz FPNIYRJNWXBKMF-GCJKJVERSA-N 0 0 408.548 5.721 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000005547612 560607774 /nfs/dbraw/zinc/60/77/74/560607774.db2.gz CVCMWUXOYVCAHG-WMZHIEFXSA-N 0 0 406.507 5.561 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000005547613 560607747 /nfs/dbraw/zinc/60/77/47/560607747.db2.gz CVCMWUXOYVCAHG-AUSIDOKSSA-N 0 0 406.507 5.561 50 0 HKAARN c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1cccc2ccccc21 ZINC000005547642 560607785 /nfs/dbraw/zinc/60/77/85/560607785.db2.gz CGXXKPZTTBHXCU-UHFFFAOYSA-N 0 0 414.508 6.970 50 0 HKAARN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000005547707 560607761 /nfs/dbraw/zinc/60/77/61/560607761.db2.gz RJGNYDIIGKMISC-UHFFFAOYSA-N 0 0 403.913 5.798 50 0 HKAARN Cc1c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000005548179 560607767 /nfs/dbraw/zinc/60/77/67/560607767.db2.gz MDTBEZDDHPQIKR-UHFFFAOYSA-N 0 0 412.529 6.569 50 0 HKAARN CCCCCCc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O ZINC000005548288 560607727 /nfs/dbraw/zinc/60/77/27/560607727.db2.gz ZTLXNQLEDWYMRA-JLHYYAGUSA-N 0 0 410.941 6.970 50 0 HKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccccc3F)cc2oc1=O ZINC000005548291 560607739 /nfs/dbraw/zinc/60/77/39/560607739.db2.gz AVIKQJFRGVBPNC-UHFFFAOYSA-N 0 0 402.893 6.596 50 0 HKAARN CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3)cc2oc1=O ZINC000005548292 560607742 /nfs/dbraw/zinc/60/77/42/560607742.db2.gz PKLJPHWDUJXXLG-UHFFFAOYSA-N 0 0 402.893 6.596 50 0 HKAARN C=Cc1ccc(COc2cc3oc(=O)c(CCCCCC)c(C)c3cc2Cl)cc1 ZINC000005548296 560607782 /nfs/dbraw/zinc/60/77/82/560607782.db2.gz YKMFOUARZYIBLC-UHFFFAOYSA-N 0 0 410.941 7.100 50 0 HKAARN Cc1cc(C)c(C)c(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1C ZINC000005548300 560607737 /nfs/dbraw/zinc/60/77/37/560607737.db2.gz FKIVMPMAUYXWIC-UHFFFAOYSA-N 0 0 412.529 6.505 50 0 HKAARN Cc1cc(C)c(C)c(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1C ZINC000005548304 560607750 /nfs/dbraw/zinc/60/77/50/560607750.db2.gz DCBHXAQDNHDBGZ-UHFFFAOYSA-N 0 0 418.920 6.926 50 0 HKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(Cl)c1)CCC3 ZINC000005548373 560607744 /nfs/dbraw/zinc/60/77/44/560607744.db2.gz VRUCUWVDVQNSAW-UHFFFAOYSA-N 0 0 410.941 6.637 50 0 HKAARN C=Cc1ccc(COc2cc3oc(=O)c4c(c3cc2CCCCCC)CCC4)cc1 ZINC000005548377 560607878 /nfs/dbraw/zinc/60/78/78/560607878.db2.gz KJHKRZRMZATCAK-UHFFFAOYSA-N 0 0 402.534 6.627 50 0 HKAARN CCCCCCc1cc2c(cc1OC/C=C/c1ccccc1)oc(=O)c1c2CCCC1 ZINC000005548401 560607873 /nfs/dbraw/zinc/60/78/73/560607873.db2.gz GYPWINKVUAIYJU-SDNWHVSQSA-N 0 0 416.561 6.887 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1ccccc1F)oc(=O)c1c2CCCC1 ZINC000005548407 560607841 /nfs/dbraw/zinc/60/78/41/560607841.db2.gz INPIUTXMPXRHGQ-UHFFFAOYSA-N 0 0 408.513 6.513 50 0 HKAARN CCCCCCc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)c1c2CCCC1 ZINC000005548408 560607875 /nfs/dbraw/zinc/60/78/75/560607875.db2.gz BMCVZBHPZXRKML-UHFFFAOYSA-N 0 0 408.513 6.513 50 0 HKAARN Cc1cc(NC(=S)Nc2ccccc2)c(NC(=S)Nc2ccccc2)cc1C ZINC000005552504 569012576 /nfs/dbraw/zinc/01/25/76/569012576.db2.gz VQAAMPPTIUBDBG-UHFFFAOYSA-N 0 0 406.580 5.921 50 0 HKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2NC2CCCCC2)c1-c1ccccc1 ZINC000005553149 560608703 /nfs/dbraw/zinc/60/87/03/560608703.db2.gz VFIPGYOGJGODAH-UHFFFAOYSA-N 0 0 410.565 6.349 50 0 HKAARN O=c1cc(OCc2ccc(Cl)cc2Cl)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000005554610 557661551 /nfs/dbraw/zinc/66/15/51/557661551.db2.gz IUELOHMKJLAZTK-UHFFFAOYSA-N 0 0 413.256 6.051 50 0 biogenic HKAARN O=c1cc(OCc2ccc(Cl)c(Cl)c2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005554611 557661637 /nfs/dbraw/zinc/66/16/37/557661637.db2.gz ZNJXTBRQOAHYLB-UHFFFAOYSA-N 0 0 413.256 6.051 50 0 biogenic HKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 ZINC000005554983 560609006 /nfs/dbraw/zinc/60/90/06/560609006.db2.gz WWLKRSXNBCZODV-FQEVSTJZSA-N 0 0 404.940 5.498 50 0 HKAARN 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CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000005632301 560634958 /nfs/dbraw/zinc/63/49/58/560634958.db2.gz NFXFSWNEEHVQGH-UHFFFAOYSA-N 0 0 400.865 6.010 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 ZINC000005632606 560635086 /nfs/dbraw/zinc/63/50/86/560635086.db2.gz HNRIJTIOXSDKEC-UHFFFAOYSA-N 0 0 410.473 6.791 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005632810 560635077 /nfs/dbraw/zinc/63/50/77/560635077.db2.gz YMMFNKXZULYSOQ-CZFLJZPRSA-N 0 0 420.678 5.554 50 0 HKAARN CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000005632915 557665894 /nfs/dbraw/zinc/66/58/94/557665894.db2.gz YJKSHUMGEOVWHL-UHFFFAOYSA-N 0 0 420.896 6.435 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)nc2)cc1 ZINC000005633611 560635190 /nfs/dbraw/zinc/63/51/90/560635190.db2.gz SVFCFLIWFWCFQJ-UHFFFAOYSA-N 0 0 401.510 5.833 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)nc1 ZINC000005633640 560635197 /nfs/dbraw/zinc/63/51/97/560635197.db2.gz NRKDNNYILKFIMY-UHFFFAOYSA-N 0 0 401.510 5.833 50 0 HKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000005636634 560635621 /nfs/dbraw/zinc/63/56/21/560635621.db2.gz FJGXMSOTVYJSQC-UHFFFAOYSA-N 0 0 414.383 5.219 50 0 HKAARN c1cc(Nc2ncnc3sc4c(c32)CCCCC4)cc2nc3n(c12)CCCCC3 ZINC000005636718 560635578 /nfs/dbraw/zinc/63/55/78/560635578.db2.gz YQLWRXZQCVLIBT-UHFFFAOYSA-N 0 0 403.555 5.780 50 0 HKAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000005636942 560635669 /nfs/dbraw/zinc/63/56/69/560635669.db2.gz PFDWTOWSBZNCTN-UHFFFAOYSA-N 0 0 413.399 5.008 50 0 HKAARN Cc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000005636978 560635687 /nfs/dbraw/zinc/63/56/87/560635687.db2.gz JGGZFDCMKDJIOS-UHFFFAOYSA-N 0 0 411.864 5.090 50 0 HKAARN COc1ccc2c(c1)c(C(=O)Nc1cccc3ncccc31)c(C)n2C1CCCCC1 ZINC000005637693 560635697 /nfs/dbraw/zinc/63/56/97/560635697.db2.gz OKSQPEDDKTZBMG-UHFFFAOYSA-N 0 0 413.521 6.264 50 0 HKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)c1ccccc1 ZINC000005638177 560635807 /nfs/dbraw/zinc/63/58/07/560635807.db2.gz GZLPTXTWZWWHFE-INIZCTEOSA-N 0 0 403.482 5.437 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)c1ccccc1 ZINC000005638178 560635804 /nfs/dbraw/zinc/63/58/04/560635804.db2.gz GZLPTXTWZWWHFE-MRXNPFEDSA-N 0 0 403.482 5.437 50 0 HKAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000005642624 560636094 /nfs/dbraw/zinc/63/60/94/560636094.db2.gz AIBCXEKWZSKDLD-HNNXBMFYSA-N 0 0 400.331 5.031 50 0 HKAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000005642669 560636053 /nfs/dbraw/zinc/63/60/53/560636053.db2.gz AIBCXEKWZSKDLD-OAHLLOKOSA-N 0 0 400.331 5.031 50 0 HKAARN CCCCC(=O)NC(Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000005645551 560636240 /nfs/dbraw/zinc/63/62/40/560636240.db2.gz AFGACEOVXWHCIB-UHFFFAOYSA-N 0 0 411.173 5.533 50 0 HKAARN CCCCCCOC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005645675 560636168 /nfs/dbraw/zinc/63/61/68/560636168.db2.gz LBPKGXBHZDNMBR-UHFFFAOYSA-N 0 0 408.420 6.087 50 0 HKAARN CCCCCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000005645689 560636248 /nfs/dbraw/zinc/63/62/48/560636248.db2.gz ASXZESOBTPXUBN-UHFFFAOYSA-N 0 0 412.349 5.209 50 0 HKAARN O=C(Nc1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2)Nc1ccccc1 ZINC000005646855 557666283 /nfs/dbraw/zinc/66/62/83/557666283.db2.gz BUUXBIIFLQVFAR-UHFFFAOYSA-N 0 0 406.449 5.331 50 0 HKAARN O=C(C[C@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCc1ccccc1 ZINC000005647124 557666364 /nfs/dbraw/zinc/66/63/64/557666364.db2.gz LLBHQKGAELZPKL-NRFANRHFSA-N 0 0 414.534 5.012 50 0 HKAARN O=C(C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCc1ccccc1 ZINC000005647127 557666349 /nfs/dbraw/zinc/66/63/49/557666349.db2.gz LLBHQKGAELZPKL-OAQYLSRUSA-N 0 0 414.534 5.012 50 0 HKAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1c2ccccc2CCc2ccccc21 ZINC000005647829 557666320 /nfs/dbraw/zinc/66/63/20/557666320.db2.gz WRLWKWKFMYMKPP-UHFFFAOYSA-N 0 0 412.518 5.027 50 0 HKAARN Nc1nc(=S)[nH]c2sc3c(c21)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000005650111 560636409 /nfs/dbraw/zinc/63/64/09/560636409.db2.gz NYQMACXJRIQVAL-RDJZCZTQSA-N 0 0 407.589 6.056 50 0 HKAARN Nc1nc(=S)[nH]c2sc3c(c21)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000005650113 560636402 /nfs/dbraw/zinc/63/64/02/560636402.db2.gz NYQMACXJRIQVAL-DOTOQJQBSA-N 0 0 407.589 6.056 50 0 HKAARN Nc1nc(=S)[nH]c2sc3c(c21)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000005650135 560636400 /nfs/dbraw/zinc/63/64/00/560636400.db2.gz NYQMACXJRIQVAL-WBVHZDCISA-N 0 0 407.589 6.056 50 0 HKAARN Nc1nc(=S)[nH]c2sc3c(c21)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000005650136 560636518 /nfs/dbraw/zinc/63/65/18/560636518.db2.gz NYQMACXJRIQVAL-NVXWUHKLSA-N 0 0 407.589 6.056 50 0 HKAARN CCOC1=CC2=CC[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@@H]3[C@]2(C)CC1 ZINC000005650717 557666544 /nfs/dbraw/zinc/66/65/44/557666544.db2.gz GLUPBNAYNWZRSJ-DXIGCKPVSA-N 0 0 400.559 5.370 50 0 HKAARN CCOc1cc(C=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000005651990 557666550 /nfs/dbraw/zinc/66/65/50/557666550.db2.gz KGDNZQBRUVVPAA-UHFFFAOYSA-N 0 0 404.087 5.546 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000005652884 560637156 /nfs/dbraw/zinc/63/71/56/560637156.db2.gz WDHYLCKDIJOGFP-UHFFFAOYSA-N 0 0 422.550 5.282 50 0 HKAARN CCOc1ccc(Oc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)cc1 ZINC000005653320 557666811 /nfs/dbraw/zinc/66/68/11/557666811.db2.gz ZHNRYBUODUCNNC-UHFFFAOYSA-N 0 0 403.187 6.146 50 0 HKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 ZINC000005654365 560637173 /nfs/dbraw/zinc/63/71/73/560637173.db2.gz CAMYTERNCXQZFG-UHFFFAOYSA-N 0 0 406.869 6.108 50 0 HKAARN CCCC[S@@](=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000005655490 557666723 /nfs/dbraw/zinc/66/67/23/557666723.db2.gz LCYAYKSMOVLVRL-MHZLTWQESA-N 0 0 412.605 6.182 50 0 in-vitro HKAARN CCCC[S@](=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000005655519 557666818 /nfs/dbraw/zinc/66/68/18/557666818.db2.gz LCYAYKSMOVLVRL-HHHXNRCGSA-N 0 0 412.605 6.182 50 0 in-vitro HKAARN Fc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(F)c1 ZINC000005656625 560636814 /nfs/dbraw/zinc/63/68/14/560636814.db2.gz TVJBPILDLCMUJL-UHFFFAOYSA-N 0 0 413.880 6.158 50 0 HKAARN CCn1c2ccccc2c2cc(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)ccc21 ZINC000005656628 560636847 /nfs/dbraw/zinc/63/68/47/560636847.db2.gz HFCOTZYCYLQFDM-UHFFFAOYSA-N 0 0 419.506 5.493 50 0 HKAARN COc1cc2c(cc1NC(=S)Nc1ccc(Cl)c(F)c1)oc1ccccc12 ZINC000005656647 560636815 /nfs/dbraw/zinc/63/68/15/560636815.db2.gz IQDSBMLXXVTYIQ-UHFFFAOYSA-N 0 0 400.862 6.196 50 0 HKAARN O=C(Cn1c2ccccc2nc1Cc1cccc2ccccc21)N1CCc2ccccc21 ZINC000005656681 560636834 /nfs/dbraw/zinc/63/68/34/560636834.db2.gz UVKJTJOTAXVOLV-UHFFFAOYSA-N 0 0 417.512 5.370 50 0 HKAARN O=C(CSc1nnc2sc3ccccc3n12)c1ccc(-c2ccccc2)cc1 ZINC000005656830 557666731 /nfs/dbraw/zinc/66/67/31/557666731.db2.gz OZHDVKIBLLYKIA-UHFFFAOYSA-N 0 0 401.516 5.586 50 0 HKAARN CCN(CC)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000005657038 560636832 /nfs/dbraw/zinc/63/68/32/560636832.db2.gz HXTMKIXBTCDQBN-UHFFFAOYSA-N 0 0 414.590 5.184 50 0 HKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000005657468 560636965 /nfs/dbraw/zinc/63/69/65/560636965.db2.gz CSZQSGAQPZBDJQ-UHFFFAOYSA-N 0 0 411.452 6.245 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005657509 132307310 /nfs/dbraw/zinc/30/73/10/132307310.db2.gz QMQXJMAHLPOFBN-ROUUACIJSA-N 0 0 424.566 5.012 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005657511 132307282 /nfs/dbraw/zinc/30/72/82/132307282.db2.gz QMQXJMAHLPOFBN-QZTJIDSGSA-N 0 0 424.566 5.012 50 0 HKAARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)nc2c1 ZINC000005658441 557666735 /nfs/dbraw/zinc/66/67/35/557666735.db2.gz KAMKJEZUSZBIEQ-UHFFFAOYSA-N 0 0 402.450 5.083 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000005659059 560637076 /nfs/dbraw/zinc/63/70/76/560637076.db2.gz OCCOSCQLDYQQJY-UHFFFAOYSA-N 0 0 415.493 5.648 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000005659380 560637034 /nfs/dbraw/zinc/63/70/34/560637034.db2.gz LDGIBKPCCMOVJG-UHFFFAOYSA-N 0 0 401.466 5.339 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000005659384 560637084 /nfs/dbraw/zinc/63/70/84/560637084.db2.gz QFTMDTSGILKLPI-UHFFFAOYSA-N 0 0 401.466 5.485 50 0 HKAARN COc1ccc(C)cc1Nc1nnc(SCC(=O)c2c[nH]c3ccccc32)s1 ZINC000005660201 560643047 /nfs/dbraw/zinc/64/30/47/560643047.db2.gz CKDNYLFPYWCCND-UHFFFAOYSA-N 0 0 410.524 5.055 50 0 HKAARN COc1ccccc1N=C1NN=C(c2cc(C)n(Cc3cccs3)c2C)CS1 ZINC000005660404 560645240 /nfs/dbraw/zinc/64/52/40/560645240.db2.gz MJZNQLCYGQDZBC-UHFFFAOYSA-N 0 0 410.568 5.142 50 0 HKAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccco1 ZINC000005660935 560732769 /nfs/dbraw/zinc/73/27/69/560732769.db2.gz UJMOAKWXXDMSMD-UHFFFAOYSA-N 0 0 413.458 5.368 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000005661021 560732795 /nfs/dbraw/zinc/73/27/95/560732795.db2.gz BHJXYRVHDDDCMO-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN COc1ccc([C@@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661668 557667080 /nfs/dbraw/zinc/66/70/80/557667080.db2.gz IMOVVWMXAMCKHN-OUTSHDOLSA-N 0 0 412.514 5.269 50 0 HKAARN COc1ccc([C@@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661669 557667013 /nfs/dbraw/zinc/66/70/13/557667013.db2.gz IMOVVWMXAMCKHN-PWUYWRBVSA-N 0 0 412.514 5.269 50 0 HKAARN COc1ccc([C@H]([NH+]2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661689 557667070 /nfs/dbraw/zinc/66/70/70/557667070.db2.gz IMOVVWMXAMCKHN-GIGWZHCTSA-N 0 0 412.514 5.269 50 0 HKAARN COc1ccc([C@H]([NH+]2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000005661690 557667023 /nfs/dbraw/zinc/66/70/23/557667023.db2.gz IMOVVWMXAMCKHN-FUFSCUOVSA-N 0 0 412.514 5.269 50 0 HKAARN COc1ccc2ccccc2c1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000005661942 557667042 /nfs/dbraw/zinc/66/70/42/557667042.db2.gz BDWHZANETDCMBU-UHFFFAOYSA-N 0 0 402.497 6.991 50 0 HKAARN 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Cc1ccc(Sc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 ZINC000005746532 560869102 /nfs/dbraw/zinc/86/91/02/560869102.db2.gz MGYBBBDPZLDYSB-UHFFFAOYSA-N 0 0 413.011 6.761 50 0 HKAARN Cc1ccc2c(c1)-c1nc(SCc3ccc(Cl)cc3Cl)ncc1CS2 ZINC000005747435 560869365 /nfs/dbraw/zinc/86/93/65/560869365.db2.gz QIZNSPOITGLGNP-UHFFFAOYSA-N 0 0 405.375 6.657 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 ZINC000005747602 557672530 /nfs/dbraw/zinc/67/25/30/557672530.db2.gz LXMRRYQUCSCQOH-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1cccc(Oc2nc(SCc3ccc(Cl)cc3)nc3c2CCCC3)c1C ZINC000005748124 560869179 /nfs/dbraw/zinc/86/91/79/560869179.db2.gz MZKLDRUGUDPCEV-UHFFFAOYSA-N 0 0 410.970 6.710 50 0 HKAARN Cc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1 ZINC000005748204 560869325 /nfs/dbraw/zinc/86/93/25/560869325.db2.gz RHIMXBAPHQHSSP-UHFFFAOYSA-N 0 0 416.502 5.386 50 0 aggregator HKAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000005748500 560869301 /nfs/dbraw/zinc/86/93/01/560869301.db2.gz 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ZINC000005750743 560883500 /nfs/dbraw/zinc/88/35/00/560883500.db2.gz YSIDKGCCXPHSHR-QGZVFWFLSA-N 0 0 405.450 5.062 50 0 HKAARN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005751264 557672876 /nfs/dbraw/zinc/67/28/76/557672876.db2.gz INBGSXNNRGWLJU-ZHHJOTBYSA-N 0 0 402.663 6.504 50 0 endogenous,in-man HKAARN O=C(COC(=O)c1cc2ccccc2cc1O)N(C1CCCCC1)C1CCCCC1 ZINC000005752375 560893330 /nfs/dbraw/zinc/89/33/30/560893330.db2.gz SQECDESDYXOPPP-UHFFFAOYSA-N 0 0 409.526 5.196 50 0 HKAARN O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000005752503 560894088 /nfs/dbraw/zinc/89/40/88/560894088.db2.gz GOCYSQMTPKSLKM-SFHVURJKSA-N 0 0 415.276 5.343 50 0 HKAARN O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000005752506 560894100 /nfs/dbraw/zinc/89/41/00/560894100.db2.gz GOCYSQMTPKSLKM-GOSISDBHSA-N 0 0 415.276 5.343 50 0 HKAARN CC(=O)c1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000005752543 560894235 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C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005754561 568421473 /nfs/dbraw/zinc/42/14/73/568421473.db2.gz VEJLJRLUJREVRT-CSNVJCEJSA-N 0 0 411.325 5.089 50 0 HKAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3Cl)nc2c1 ZINC000005754679 568421472 /nfs/dbraw/zinc/42/14/72/568421472.db2.gz IDEQBXXQBNLUQI-UHFFFAOYSA-N 0 0 411.870 5.176 50 0 HKAARN COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005754995 568421588 /nfs/dbraw/zinc/42/15/88/568421588.db2.gz CCNCCGSRFQMVNQ-UHFFFAOYSA-N 0 0 400.434 5.254 50 0 HKAARN CC1c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2 ZINC000005757880 557673358 /nfs/dbraw/zinc/67/33/58/557673358.db2.gz IGOJUFJYIDZRGZ-UHFFFAOYSA-N 0 0 418.533 7.502 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758800 560202930 /nfs/dbraw/zinc/20/29/30/560202930.db2.gz JQMQKOQOLPGBBE-ZNCJEFCDSA-N 0 0 402.663 6.648 50 0 in-vitro HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758801 560202924 /nfs/dbraw/zinc/20/29/24/560202924.db2.gz SJZZRXMQSAXCFD-ZCBMJONGSA-N 0 0 418.662 5.763 50 0 in-vitro HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758807 557673380 /nfs/dbraw/zinc/67/33/80/557673380.db2.gz YEYCQJVCAMFWCO-PXBBAZSNSA-N 0 0 414.674 7.569 50 0 biogenic HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758832 557673375 /nfs/dbraw/zinc/67/33/75/557673375.db2.gz OYXZMSRRJOYLLO-KGZHIOMZSA-N 0 0 402.663 6.360 50 0 endogenous,in-man HKAARN CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005758870 557673353 /nfs/dbraw/zinc/67/33/53/557673353.db2.gz MCKLJFJEQRYRQT-APGJSSKUSA-N 0 0 402.663 6.504 50 0 in-vitro HKAARN c1ccc2c(c1)CCC1=C2S/C(=C2/SC3=C(S2)c2ccccc2CC3)S1 ZINC000005759038 569012743 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411.981 6.554 50 0 HKAARN Clc1ccc(CSc2nc3c(c(SC4CCCCC4)n2)CCCC3)cc1 ZINC000005769490 568455185 /nfs/dbraw/zinc/45/51/85/568455185.db2.gz IPMXQWMNTUEKRH-UHFFFAOYSA-N 0 0 405.032 6.726 50 0 HKAARN Fc1ccc(Oc2nc(Oc3ccc(F)cc3)nc(Oc3ccc(F)cc3)n2)cc1 ZINC000005769880 557673815 /nfs/dbraw/zinc/67/38/15/557673815.db2.gz TYHKTTWKMHAJHB-UHFFFAOYSA-N 0 0 411.339 5.666 50 0 HKAARN O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1c[nH]c2ccccc12 ZINC000005770881 568484131 /nfs/dbraw/zinc/48/41/31/568484131.db2.gz OTEZYJOQLSTPFU-UHFFFAOYSA-N 0 0 413.304 5.176 50 0 HKAARN Fc1ccccc1Cn1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 ZINC000005771366 568484124 /nfs/dbraw/zinc/48/41/24/568484124.db2.gz VHTRSMIRBUENDE-UHFFFAOYSA-N 0 0 410.851 6.109 50 0 HKAARN O=C(Nc1ccccc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000005772147 568484885 /nfs/dbraw/zinc/48/48/85/568484885.db2.gz MUWPYKXNNDAAIJ-ULICSTANSA-N 0 0 402.881 5.306 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc3ccccc31)O2 ZINC000005772797 568485500 /nfs/dbraw/zinc/48/55/00/568485500.db2.gz QPBNRMNSCNIJEN-AZGAKELHSA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc3ccccc31)O2 ZINC000005772799 568485520 /nfs/dbraw/zinc/48/55/20/568485520.db2.gz QPBNRMNSCNIJEN-AOYPEHQESA-N 0 0 410.904 6.736 50 0 HKAARN O=C1c2ccccc2C(=O)N1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005772981 557673781 /nfs/dbraw/zinc/67/37/81/557673781.db2.gz QJACGYUVHYUJHZ-UHFFFAOYSA-N 0 0 405.453 5.206 50 0 HKAARN O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1CCc1ccccc1)CCCC3 ZINC000005773396 568485767 /nfs/dbraw/zinc/48/57/67/568485767.db2.gz QAXKKZWXHKYZTD-FOCLMDBBSA-N 0 0 412.558 5.750 50 0 HKAARN c1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1 ZINC000005775552 557673980 /nfs/dbraw/zinc/67/39/80/557673980.db2.gz USWQNCRNWBDKTD-UHFFFAOYSA-N 0 0 411.486 6.351 50 0 HKAARN Clc1ccc(CSc2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)cc1 ZINC000005776017 568503346 /nfs/dbraw/zinc/50/33/46/568503346.db2.gz RTMZJWIQVWMQKR-UHFFFAOYSA-N 0 0 410.951 6.509 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1sc2ccccc2c1Cl ZINC000005776754 568513421 /nfs/dbraw/zinc/51/34/21/568513421.db2.gz FJBWAHWOOOQOTE-UHFFFAOYSA-N 0 0 406.866 6.209 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1csc(-c2cc3ccccc3oc2=O)n1 ZINC000005777113 568514074 /nfs/dbraw/zinc/51/40/74/568514074.db2.gz JAKFOHXICBRJQN-UHFFFAOYSA-N 0 0 407.834 5.343 50 0 HKAARN O=C(CSc1nc2ccccc2s1)Nc1nc2c(ccc3ccccc23)s1 ZINC000005777257 568514084 /nfs/dbraw/zinc/51/40/84/568514084.db2.gz DNAXDRRPGDVCKH-UHFFFAOYSA-N 0 0 407.545 5.790 50 0 HKAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(C)c(C)c3)c2C)cc1 ZINC000005778178 568514364 /nfs/dbraw/zinc/51/43/64/568514364.db2.gz WXHSTUMLVUFLPF-UHFFFAOYSA-N 0 0 419.521 5.013 50 0 HKAARN FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1 ZINC000005778537 568514339 /nfs/dbraw/zinc/51/43/39/568514339.db2.gz MXALSQFALDXYNM-UHFFFAOYSA-N 0 0 402.323 5.286 50 0 HKAARN FCCCOc1ccc(-c2ccnc3cc(-c4sccc4-n4cccc4)nn32)cc1 ZINC000005778538 568514321 /nfs/dbraw/zinc/51/43/21/568514321.db2.gz 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CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000005825365 568454136 /nfs/dbraw/zinc/45/41/36/568454136.db2.gz ABNJSGLNAKJRIQ-GOSISDBHSA-N 0 0 410.539 5.218 50 0 HKAARN CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000005825367 568824394 /nfs/dbraw/zinc/82/43/94/568824394.db2.gz ABNJSGLNAKJRIQ-SFHVURJKSA-N 0 0 410.539 5.218 50 0 HKAARN COc1ccc(OC)c(-c2nc(C(=O)NCCC(C)C)cc3c4ccccc4[nH]c32)c1 ZINC000005825444 568824417 /nfs/dbraw/zinc/82/44/17/568824417.db2.gz BVMWFRDJLKZYJO-UHFFFAOYSA-N 0 0 417.509 5.176 50 0 biogenic HKAARN COc1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc1 ZINC000005825609 568824399 /nfs/dbraw/zinc/82/43/99/568824399.db2.gz CRKAFBPJFMTFSW-KAMYIIQDSA-N 0 0 413.539 5.243 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)NCCCNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000005825668 568824563 /nfs/dbraw/zinc/82/45/63/568824563.db2.gz OBLDMTYLTLTTSH-VRNBXGKJSA-N 0 0 418.581 5.283 50 0 HKAARN CC(C)c1ccc(-c2nc(C(=O)NC3CCCCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000005825715 568824615 /nfs/dbraw/zinc/82/46/15/568824615.db2.gz XTPXGVKAQISSSE-UHFFFAOYSA-N 0 0 411.549 6.569 50 0 biogenic HKAARN CC(C)c1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4[nH]c32)cc1 ZINC000005825718 568824550 /nfs/dbraw/zinc/82/45/50/568824550.db2.gz BPNHMAQYEQHXJR-IBGZPJMESA-N 0 0 413.521 5.415 50 0 biogenic HKAARN CC(C)c1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)cc1 ZINC000005825719 568824626 /nfs/dbraw/zinc/82/46/26/568824626.db2.gz BPNHMAQYEQHXJR-LJQANCHMSA-N 0 0 413.521 5.415 50 0 biogenic HKAARN CC(C)c1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000005825720 568824648 /nfs/dbraw/zinc/82/46/48/568824648.db2.gz NFTAWYCPPWIATO-UHFFFAOYSA-N 0 0 419.528 6.437 50 0 biogenic HKAARN CCCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000005826078 568824585 /nfs/dbraw/zinc/82/45/85/568824585.db2.gz HVJMZDIYFXSVSN-UHFFFAOYSA-N 0 0 417.509 5.320 50 0 biogenic HKAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000005827887 568824582 /nfs/dbraw/zinc/82/45/82/568824582.db2.gz QXMTYPJEYFVPQE-TZIWHRDSSA-N 0 0 421.610 5.551 50 0 HKAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000005827888 568824535 /nfs/dbraw/zinc/82/45/35/568824535.db2.gz QXMTYPJEYFVPQE-CTNGQTDRSA-N 0 0 421.610 5.551 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000005827889 568824533 /nfs/dbraw/zinc/82/45/33/568824533.db2.gz QXMTYPJEYFVPQE-PZJWPPBQSA-N 0 0 421.610 5.551 50 0 HKAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000005827890 568824530 /nfs/dbraw/zinc/82/45/30/568824530.db2.gz QXMTYPJEYFVPQE-FPOVZHCZSA-N 0 0 421.610 5.551 50 0 HKAARN CC(C)CN1C(=S)N=C(N[C@H](COc2ccccc2)C(C)(C)C)C12CCCCC2 ZINC000005832863 568825125 /nfs/dbraw/zinc/82/51/25/568825125.db2.gz NLIADRBUYAUTJZ-HXUWFJFHSA-N 0 0 415.647 5.428 50 0 HKAARN Cc1nc(Cc2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)cs1 ZINC000005833095 568825127 /nfs/dbraw/zinc/82/51/27/568825127.db2.gz FOIJRSRYODYDGR-UHFFFAOYSA-N 0 0 413.568 5.448 50 0 HKAARN Cc1nc(Cc2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)o2)cs1 ZINC000005834842 568825268 /nfs/dbraw/zinc/82/52/68/568825268.db2.gz JLDMRQMKJBRMLX-UHFFFAOYSA-N 0 0 407.520 5.067 50 0 HKAARN COc1ccc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000005837115 568825288 /nfs/dbraw/zinc/82/52/88/568825288.db2.gz KPNZDYBWCIFSGQ-UHFFFAOYSA-N 0 0 404.491 5.393 50 0 HKAARN CN(C)C(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000005838232 568825541 /nfs/dbraw/zinc/82/55/41/568825541.db2.gz YMSFOBJPUJZHGR-CQSZACIVSA-N 0 0 418.990 5.507 50 0 HKAARN CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000005838391 568825453 /nfs/dbraw/zinc/82/54/53/568825453.db2.gz LKXKBHULZOBPDN-CYBMUJFWSA-N 0 0 404.963 5.164 50 0 HKAARN CN(C)C(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005838630 568825285 /nfs/dbraw/zinc/82/52/85/568825285.db2.gz YMSFOBJPUJZHGR-AWEZNQCLSA-N 0 0 418.990 5.507 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005838784 568825269 /nfs/dbraw/zinc/82/52/69/568825269.db2.gz BWNCSSVOQOCFAY-IBGZPJMESA-N 0 0 417.431 5.095 50 0 HKAARN CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005838793 568825264 /nfs/dbraw/zinc/82/52/64/568825264.db2.gz LKXKBHULZOBPDN-ZDUSSCGKSA-N 0 0 404.963 5.164 50 0 HKAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005838795 568825326 /nfs/dbraw/zinc/82/53/26/568825326.db2.gz BWNCSSVOQOCFAY-LJQANCHMSA-N 0 0 417.431 5.095 50 0 HKAARN CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 ZINC000005839437 557677154 /nfs/dbraw/zinc/67/71/54/557677154.db2.gz NYAFITWGFMWMKH-SDNWHVSQSA-N 0 0 409.323 6.519 50 0 HKAARN CCCCCCOc1ccc(/C=C\C(=O)Nc2nc3ccccc3s2)cc1OC ZINC000005845434 568825715 /nfs/dbraw/zinc/82/57/15/568825715.db2.gz YXOQFCWIGIEEEB-OWBHPGMISA-N 0 0 410.539 5.916 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc2ccccc2n1 ZINC000005847978 568825660 /nfs/dbraw/zinc/82/56/60/568825660.db2.gz QLSTUTCJDLZUCB-RUZDIDTESA-N 0 0 415.420 5.339 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc2ccccc2n1 ZINC000005847995 568825640 /nfs/dbraw/zinc/82/56/40/568825640.db2.gz QLSTUTCJDLZUCB-VWLOTQADSA-N 0 0 415.420 5.339 50 0 HKAARN CCC(=O)Oc1cccc2ccc(/C=C/c3c(C)nn(-c4ccccc4)c3Cl)nc21 ZINC000005856642 557677754 /nfs/dbraw/zinc/67/77/54/557677754.db2.gz GBXCMZPJZKHJFO-CCEZHUSRSA-N 0 0 417.896 5.868 50 0 HKAARN COc1cccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000005858459 568826053 /nfs/dbraw/zinc/82/60/53/568826053.db2.gz QBTJUOCZBJIJRM-JCMHNJIXSA-N 0 0 418.493 5.511 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2Cc2ccco2)cc1 ZINC000005858490 568826115 /nfs/dbraw/zinc/82/61/15/568826115.db2.gz ZTMXUFYLJHRQSQ-HXUWFJFHSA-N 0 0 409.555 5.488 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2Cc2ccco2)cc1 ZINC000005858496 568826054 /nfs/dbraw/zinc/82/60/54/568826054.db2.gz ZTMXUFYLJHRQSQ-FQEVSTJZSA-N 0 0 409.555 5.488 50 0 HKAARN CC(C)CCn1c(C(=O)c2cc(-c3ccccc3)nc3ccccc32)n[nH]c1=S ZINC000005858795 568826112 /nfs/dbraw/zinc/82/61/12/568826112.db2.gz ADJOZUUZJNMJQJ-UHFFFAOYSA-N 0 0 402.523 5.059 50 0 HKAARN CCCCCC1CCC(c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000005860131 568826257 /nfs/dbraw/zinc/82/62/57/568826257.db2.gz RACGDDBTGSOIDA-UHFFFAOYSA-N 0 0 404.598 7.131 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000005860696 568826296 /nfs/dbraw/zinc/82/62/96/568826296.db2.gz JYXGBALIZBKJPC-GFCCVEGCSA-N 0 0 400.272 5.321 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000005860707 568826259 /nfs/dbraw/zinc/82/62/59/568826259.db2.gz JYXGBALIZBKJPC-LBPRGKRZSA-N 0 0 400.272 5.321 50 0 HKAARN CCc1ccc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000005860780 568826281 /nfs/dbraw/zinc/82/62/81/568826281.db2.gz BZNJJBRWLGDSFZ-OAHLLOKOSA-N 0 0 419.575 6.040 50 0 HKAARN CCc1ccc(NC(=O)[C@H](C)Sc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000005860793 568826255 /nfs/dbraw/zinc/82/62/55/568826255.db2.gz BZNJJBRWLGDSFZ-HNNXBMFYSA-N 0 0 419.575 6.040 50 0 HKAARN CC(=O)Nc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000005860864 568826261 /nfs/dbraw/zinc/82/62/61/568826261.db2.gz OPVJAHPPEDNYIP-UHFFFAOYSA-N 0 0 416.506 5.383 50 0 HKAARN COc1ccc(N=C2NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)cc1 ZINC000005861398 568826467 /nfs/dbraw/zinc/82/64/67/568826467.db2.gz AJDWRDOFHIYUFP-UHFFFAOYSA-N 0 0 410.568 5.142 50 0 HKAARN CC(=O)N(c1nc(CSc2ccc(Cl)cc2)cs1)c1ccc(C)c(C)c1 ZINC000005863146 568826686 /nfs/dbraw/zinc/82/66/86/568826686.db2.gz FNDGCSLGBHIIEJ-UHFFFAOYSA-N 0 0 402.972 6.390 50 0 HKAARN CCCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000005864356 568826642 /nfs/dbraw/zinc/82/66/42/568826642.db2.gz GFPRSLIPBXOZSK-CQSZACIVSA-N 0 0 416.562 5.430 50 0 HKAARN CCCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005864361 568826662 /nfs/dbraw/zinc/82/66/62/568826662.db2.gz GFPRSLIPBXOZSK-AWEZNQCLSA-N 0 0 416.562 5.430 50 0 HKAARN Cc1ccc(-c2nc(SCc3ccc(C(=O)Nc4ccccc4)cc3)n[nH]2)cc1 ZINC000005866169 568827039 /nfs/dbraw/zinc/82/70/39/568827039.db2.gz NRZILYGOTHXWLZ-UHFFFAOYSA-N 0 0 400.507 5.325 50 0 HKAARN Cc1cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c(C)n1CC(F)(F)F ZINC000005866288 568826968 /nfs/dbraw/zinc/82/69/68/568826968.db2.gz HAIYQCKHZQWNLK-UHFFFAOYSA-N 0 0 414.497 5.047 50 0 HKAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc(C)n1C1CCCCC1 ZINC000005866424 568826950 /nfs/dbraw/zinc/82/69/50/568826950.db2.gz JRQXUFRSVFMHDY-UHFFFAOYSA-N 0 0 424.570 5.417 50 0 HKAARN c1coc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C2CCCCC2)c1 ZINC000005866549 568827231 /nfs/dbraw/zinc/82/72/31/568827231.db2.gz OMOZFXRVXUWCMS-UHFFFAOYSA-N 0 0 407.499 5.386 50 0 HKAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000005866550 568827267 /nfs/dbraw/zinc/82/72/67/568827267.db2.gz HTMXQNUFPIZMDO-UHFFFAOYSA-N 0 0 422.554 5.263 50 0 HKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)c1c[nH]c2ccccc21 ZINC000005866579 568827211 /nfs/dbraw/zinc/82/72/11/568827211.db2.gz FZKRZXSCTJYLSS-HNNXBMFYSA-N 0 0 420.538 5.888 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)c1c[nH]c2ccccc21 ZINC000005866583 568827265 /nfs/dbraw/zinc/82/72/65/568827265.db2.gz FZKRZXSCTJYLSS-OAHLLOKOSA-N 0 0 420.538 5.888 50 0 HKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000005866614 568826880 /nfs/dbraw/zinc/82/68/80/568826880.db2.gz AXPLPGLFAGWVJZ-UHFFFAOYSA-N 0 0 411.527 5.547 50 0 HKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000005866757 568826849 /nfs/dbraw/zinc/82/68/49/568826849.db2.gz CRNZGIWRRUHUBA-AWEZNQCLSA-N 0 0 414.506 5.302 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000005866764 568826829 /nfs/dbraw/zinc/82/68/29/568826829.db2.gz CRNZGIWRRUHUBA-CQSZACIVSA-N 0 0 414.506 5.302 50 0 HKAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000005866772 568826891 /nfs/dbraw/zinc/82/68/91/568826891.db2.gz BFSIJSAXNZWIBY-HNNXBMFYSA-N 0 0 411.527 5.415 50 0 HKAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000005866774 568826868 /nfs/dbraw/zinc/82/68/68/568826868.db2.gz BFSIJSAXNZWIBY-OAHLLOKOSA-N 0 0 411.527 5.415 50 0 HKAARN c1coc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C2CCCCC2)c1 ZINC000005866780 568826835 /nfs/dbraw/zinc/82/68/35/568826835.db2.gz FRVPBOKSTJXKBR-UHFFFAOYSA-N 0 0 406.511 5.991 50 0 HKAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC000005866944 568826839 /nfs/dbraw/zinc/82/68/39/568826839.db2.gz MDNUTHDIYMXPNF-INIZCTEOSA-N 0 0 410.543 5.013 50 0 HKAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC000005866947 568826850 /nfs/dbraw/zinc/82/68/50/568826850.db2.gz MDNUTHDIYMXPNF-MRXNPFEDSA-N 0 0 410.543 5.013 50 0 HKAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1 ZINC000005869242 568827206 /nfs/dbraw/zinc/82/72/06/568827206.db2.gz DOVXNTXGZVFYRF-QHCPKHFHSA-N 0 0 417.505 5.530 50 0 HKAARN COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1 ZINC000005869245 568827163 /nfs/dbraw/zinc/82/71/63/568827163.db2.gz DOVXNTXGZVFYRF-HSZRJFAPSA-N 0 0 417.505 5.530 50 0 HKAARN CCOc1ccc(C2=N/C(=C\c3ccc(OCCC(C)C)cc3)C(=O)O2)cc1OCC ZINC000005869863 568827186 /nfs/dbraw/zinc/82/71/86/568827186.db2.gz XOWMGVCDNXBNQO-QNGOZBTKSA-N 0 0 423.509 5.253 50 0 HKAARN CCOc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000005873139 568827579 /nfs/dbraw/zinc/82/75/79/568827579.db2.gz SEGQHCUCIHXOGX-PXLXIMEGSA-N 0 0 420.534 5.173 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(OC)cc2)cc1 ZINC000005873953 568827512 /nfs/dbraw/zinc/82/75/12/568827512.db2.gz ZALKSZPVDRKOOB-UHFFFAOYSA-N 0 0 418.518 5.085 50 0 HKAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000005875137 568827572 /nfs/dbraw/zinc/82/75/72/568827572.db2.gz QZLTVHFFVDKILK-AWEZNQCLSA-N 0 0 408.310 5.308 50 0 HKAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000005875737 568827508 /nfs/dbraw/zinc/82/75/08/568827508.db2.gz QZLTVHFFVDKILK-CQSZACIVSA-N 0 0 408.310 5.308 50 0 HKAARN CCc1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000005877641 568827729 /nfs/dbraw/zinc/82/77/29/568827729.db2.gz HJEWZVLPWUINLB-UHFFFAOYSA-N 0 0 401.582 5.124 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O ZINC000005878764 557678772 /nfs/dbraw/zinc/67/87/72/557678772.db2.gz JZWVDILOSJQOCB-UHFFFAOYSA-N 0 0 418.880 5.264 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)sc2Sc2ccc(Cl)cc2)cc1 ZINC000005880180 568827695 /nfs/dbraw/zinc/82/76/95/568827695.db2.gz IFXAFHTUEZHJKB-UHFFFAOYSA-N 0 0 409.963 7.290 50 0 HKAARN COc1ccc(-c2nc(-c3ccccn3)sc2Sc2ccc(Cl)cc2)cc1 ZINC000005880181 568827705 /nfs/dbraw/zinc/82/77/05/568827705.db2.gz BZWUFMJDKUREES-UHFFFAOYSA-N 0 0 410.951 6.685 50 0 HKAARN COc1ccc(CCNC(=S)N(C2CCCCC2)C2CCCCC2)cc1OC ZINC000005880330 557678764 /nfs/dbraw/zinc/67/87/64/557678764.db2.gz GYRNZIUQTGMQGV-UHFFFAOYSA-N 0 0 404.620 5.088 50 0 HKAARN CC(C)COc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1 ZINC000005881029 568827941 /nfs/dbraw/zinc/82/79/41/568827941.db2.gz NDWDMULTMQNRME-RTBURBONSA-N 0 0 418.537 5.186 50 0 HKAARN CC(C)COc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)c1 ZINC000005881394 568828051 /nfs/dbraw/zinc/82/80/51/568828051.db2.gz NDWDMULTMQNRME-OALUTQOASA-N 0 0 418.537 5.186 50 0 HKAARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000005881634 557678945 /nfs/dbraw/zinc/67/89/45/557678945.db2.gz LQZQJHRVODWREY-UHFFFAOYSA-N 0 0 419.355 7.753 50 0 HKAARN Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc12 ZINC000005881675 557679033 /nfs/dbraw/zinc/67/90/33/557679033.db2.gz SFROEDJLMAKGRM-UHFFFAOYSA-N 0 0 407.300 6.769 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2C)c(C)c1 ZINC000005882155 568828148 /nfs/dbraw/zinc/82/81/48/568828148.db2.gz VTPNPHZKZZXTSB-UHFFFAOYSA-N 0 0 409.511 5.057 50 0 HKAARN OCCn1c(CSc2nc(-c3ccccc3)cs2)nc2ccc(Cl)cc21 ZINC000005882752 568828100 /nfs/dbraw/zinc/82/81/00/568828100.db2.gz LCHDHRXPZCAKQI-UHFFFAOYSA-N 0 0 401.944 5.098 50 0 HKAARN Cc1nc(CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cs1 ZINC000005882941 568828044 /nfs/dbraw/zinc/82/80/44/568828044.db2.gz GCSHZTJPNWXMAY-UHFFFAOYSA-N 0 0 408.552 5.212 50 0 HKAARN Cc1occc1-c1nnc(SCCCC(=O)c2cccs2)n1-c1ccccc1 ZINC000005883064 568828113 /nfs/dbraw/zinc/82/81/13/568828113.db2.gz PYJRSSOLINSADM-UHFFFAOYSA-N 0 0 409.536 5.652 50 0 HKAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 ZINC000005883206 568828138 /nfs/dbraw/zinc/82/81/38/568828138.db2.gz KCBDCCMGQGKHDM-UHFFFAOYSA-N 0 0 419.506 5.339 50 0 HKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCC2CCCCC2)n1-c1ccccc1 ZINC000005883540 568828034 /nfs/dbraw/zinc/82/80/34/568828034.db2.gz QPBBLUGOOHGAMR-KRWDZBQOSA-N 0 0 424.570 5.013 50 0 HKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)n1-c1ccccc1 ZINC000005883541 568828058 /nfs/dbraw/zinc/82/80/58/568828058.db2.gz QPBBLUGOOHGAMR-QGZVFWFLSA-N 0 0 424.570 5.013 50 0 HKAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000005884603 568828025 /nfs/dbraw/zinc/82/80/25/568828025.db2.gz VVMAMUWPXJSSGD-UHFFFAOYSA-N 0 0 401.915 5.149 50 0 HKAARN Cc1cc(C)c(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000005884995 568828308 /nfs/dbraw/zinc/82/83/08/568828308.db2.gz ZQNAJIAFIFKYRU-UHFFFAOYSA-N 0 0 415.700 5.377 50 0 HKAARN Cc1cc2nnc(SCc3csc(-c4ccc(F)cc4)n3)n2c2ccccc12 ZINC000005886174 568828309 /nfs/dbraw/zinc/82/83/09/568828309.db2.gz HWVRBQIVFMISFL-UHFFFAOYSA-N 0 0 406.511 5.746 50 0 HKAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000005887966 568827865 /nfs/dbraw/zinc/82/78/65/568827865.db2.gz QRJBKHDKWOJYQD-QGZVFWFLSA-N 0 0 414.534 5.255 50 0 HKAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000005887974 568827944 /nfs/dbraw/zinc/82/79/44/568827944.db2.gz QRJBKHDKWOJYQD-KRWDZBQOSA-N 0 0 414.534 5.255 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000005890184 568828127 /nfs/dbraw/zinc/82/81/27/568828127.db2.gz CDQSQSKSZWNQKM-UHFFFAOYSA-N 0 0 407.366 6.272 50 0 HKAARN Cc1cccc(C)c1OCc1nnc(S[C@@H]2CCCCC2=O)n1-c1ccccc1 ZINC000005890218 568828032 /nfs/dbraw/zinc/82/80/32/568828032.db2.gz PEVQWPHSQGLUSL-HXUWFJFHSA-N 0 0 407.539 5.067 50 0 HKAARN Cc1cccc(C)c1OCc1nnc(S[C@H]2CCCCC2=O)n1-c1ccccc1 ZINC000005890219 568828053 /nfs/dbraw/zinc/82/80/53/568828053.db2.gz PEVQWPHSQGLUSL-FQEVSTJZSA-N 0 0 407.539 5.067 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000005891152 568828401 /nfs/dbraw/zinc/82/84/01/568828401.db2.gz WPOIRAKRLZBHME-UHFFFAOYSA-N 0 0 407.366 6.272 50 0 HKAARN CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)SC1=Nc1ccc(OCC)cc1 ZINC000005891961 568828455 /nfs/dbraw/zinc/82/84/55/568828455.db2.gz HQSKGVKEVMMSIX-QQAFOXPBSA-N 0 0 410.539 5.416 50 0 HKAARN C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CCC)C2=O)cc1 ZINC000005892079 568828402 /nfs/dbraw/zinc/82/84/02/568828402.db2.gz VJCJTHBYXOVJEX-ZINKLTMQSA-N 0 0 420.534 5.111 50 0 HKAARN CCCCOCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000005894686 568828605 /nfs/dbraw/zinc/82/86/05/568828605.db2.gz XCJMVCHTGZLJAT-UHFFFAOYSA-N 0 0 415.537 5.628 50 0 biogenic HKAARN CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(F)cc32)cc1 ZINC000005894960 557679383 /nfs/dbraw/zinc/67/93/83/557679383.db2.gz KVUBMMXZIZJEQV-UHFFFAOYSA-N 0 0 401.485 5.938 50 0 HKAARN CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OC)cc32)cc1 ZINC000005894965 557679448 /nfs/dbraw/zinc/67/94/48/557679448.db2.gz IEXYHFZZIMSFJF-UHFFFAOYSA-N 0 0 413.521 5.807 50 0 HKAARN CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 ZINC000005895022 569072080 /nfs/dbraw/zinc/07/20/80/569072080.db2.gz NZHLZNREOIODKD-UHFFFAOYSA-N 0 0 403.913 6.144 50 0 HKAARN CC[C@@H](C)c1ccc(C2=NNC(=Nc3ccc(SC(F)F)cc3)SC2)cc1 ZINC000005895521 568828624 /nfs/dbraw/zinc/82/86/24/568828624.db2.gz AHDOWIRPTJHMFH-CYBMUJFWSA-N 0 0 405.539 6.434 50 0 HKAARN CC[C@H](C)c1ccc(C2=NNC(=Nc3ccc(SC(F)F)cc3)SC2)cc1 ZINC000005895527 568828575 /nfs/dbraw/zinc/82/85/75/568828575.db2.gz AHDOWIRPTJHMFH-ZDUSSCGKSA-N 0 0 405.539 6.434 50 0 HKAARN Cc1cc(C)c2nc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(C)c2c1 ZINC000005895850 568828592 /nfs/dbraw/zinc/82/85/92/568828592.db2.gz JBVZQIRXDAEIGK-ABVOBTCJSA-N 0 0 422.638 5.973 50 0 HKAARN Cc1cc(C)c2nc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(C)c2c1 ZINC000005895855 568828573 /nfs/dbraw/zinc/82/85/73/568828573.db2.gz JBVZQIRXDAEIGK-DKERFCRFSA-N 0 0 422.638 5.973 50 0 HKAARN Fc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000005896264 557679749 /nfs/dbraw/zinc/67/97/49/557679749.db2.gz RFXLHHGCHJKMKI-UHFFFAOYSA-N 0 0 400.276 5.564 50 0 HKAARN CCOc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2CC)cc1 ZINC000005896918 568828616 /nfs/dbraw/zinc/82/86/16/568828616.db2.gz DONUJMPKVCNWIX-FNLGWUMESA-N 0 0 402.903 5.068 50 0 HKAARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1 ZINC000005897114 568828587 /nfs/dbraw/zinc/82/85/87/568828587.db2.gz IECHIKMUNXGIAR-YSKMNUJESA-N 0 0 408.523 5.274 50 0 HKAARN CCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)ccc1OC(F)F ZINC000005898448 568828625 /nfs/dbraw/zinc/82/86/25/568828625.db2.gz WCABOLQFFMZIQA-UHFFFAOYSA-N 0 0 410.848 5.193 50 0 HKAARN O=C(Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000005898668 568828722 /nfs/dbraw/zinc/82/87/22/568828722.db2.gz IXYRURLMANZXFE-UHFFFAOYSA-N 0 0 407.520 5.567 50 0 HKAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000005898974 557679970 /nfs/dbraw/zinc/67/99/70/557679970.db2.gz CSXMCDRWTDKYNW-GDNBJRDFSA-N 0 0 400.659 5.855 50 0 HKAARN O=C(c1ccccc1)[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@@H]21 ZINC000005899804 568828752 /nfs/dbraw/zinc/82/87/52/568828752.db2.gz YDQNLQQDAOZBMJ-ZEQKJWHPSA-N 0 0 410.542 5.642 50 0 HKAARN CCCSC1=NOC2=N[C@@H](c3ccc4ccccc4c3)Nc3ccccc3C2=N1 ZINC000005899815 557679900 /nfs/dbraw/zinc/67/99/00/557679900.db2.gz QGSAUQYBAVDWQC-NRFANRHFSA-N 0 0 400.507 5.596 50 0 HKAARN CCCSC1=NOC2=N[C@H](c3ccc4ccccc4c3)Nc3ccccc3C2=N1 ZINC000005899818 557679995 /nfs/dbraw/zinc/67/99/95/557679995.db2.gz QGSAUQYBAVDWQC-OAQYLSRUSA-N 0 0 400.507 5.596 50 0 HKAARN c1c(-c2ccccc2)sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c12 ZINC000005900494 557679987 /nfs/dbraw/zinc/67/99/87/557679987.db2.gz RHDOLPPVLSXYOF-UHFFFAOYSA-N 0 0 410.498 6.730 50 0 HKAARN O=C(CSCc1ccccc1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000005900564 568828787 /nfs/dbraw/zinc/82/87/87/568828787.db2.gz DVYJDUGYTWWAGQ-UHFFFAOYSA-N 0 0 422.619 6.730 50 0 HKAARN O=C(Oc1c(Cl)cc(Cl)c2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000005900710 568829186 /nfs/dbraw/zinc/82/91/86/568829186.db2.gz XCBLNMGSTCJLIZ-UHFFFAOYSA-N 0 0 408.284 7.484 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1cccs1 ZINC000005901463 568829053 /nfs/dbraw/zinc/82/90/53/568829053.db2.gz RDNIEJQPSBAEKB-UHFFFAOYSA-N 0 0 405.548 5.214 50 0 HKAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000005901569 568829177 /nfs/dbraw/zinc/82/91/77/568829177.db2.gz ZKRJUJHCXGYXSH-UHFFFAOYSA-N 0 0 415.518 5.483 50 0 HKAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1-c1cccc(C)c1 ZINC000005902031 568828942 /nfs/dbraw/zinc/82/89/42/568828942.db2.gz NRCYTMLZGXKJFN-UHFFFAOYSA-N 0 0 416.546 6.228 50 0 HKAARN FC(F)(F)c1cc(Nc2ncnc3sc(-c4ccccc4)cc32)ccc1Cl ZINC000005902399 557680141 /nfs/dbraw/zinc/68/01/41/557680141.db2.gz ZNZAHUZVCAWWAU-UHFFFAOYSA-N 0 0 405.832 6.774 50 0 HKAARN Cc1sc2ncnc(S[C@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)c2c1C ZINC000005902405 568828985 /nfs/dbraw/zinc/82/89/85/568828985.db2.gz RZEADDFWFSQWBG-LLVKDONJSA-N 0 0 402.570 5.076 50 0 HKAARN Cc1sc2ncnc(S[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)c2c1C ZINC000005902417 568829004 /nfs/dbraw/zinc/82/90/04/568829004.db2.gz RZEADDFWFSQWBG-NSHDSACASA-N 0 0 402.570 5.076 50 0 HKAARN CCc1ccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000005902811 568828887 /nfs/dbraw/zinc/82/88/87/568828887.db2.gz LAKZQTVFEBEDLI-HASDGOFWSA-N 0 0 416.590 6.742 50 0 HKAARN c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CCCCC2)c1 ZINC000005903062 568828986 /nfs/dbraw/zinc/82/89/86/568828986.db2.gz VILLEVHLDIQGOW-UHFFFAOYSA-N 0 0 409.584 5.376 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000005904111 568829143 /nfs/dbraw/zinc/82/91/43/568829143.db2.gz DVBLVCFFDJCIKY-UHFFFAOYSA-N 0 0 417.987 6.034 50 0 HKAARN O=C(Oc1c(Br)cc(Br)c2ccccc21)N1CCCCC1 ZINC000005904372 568829033 /nfs/dbraw/zinc/82/90/33/568829033.db2.gz DFKPOXAJNPKGKY-UHFFFAOYSA-N 0 0 413.109 5.350 50 0 HKAARN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(Nc1nc3ccccc3s1)N2 ZINC000005904488 568829153 /nfs/dbraw/zinc/82/91/53/568829153.db2.gz DZXQVIXJFVSDCM-LJQANCHMSA-N 0 0 408.914 5.910 50 0 HKAARN O=C1CCCC2=C1[C@H](c1ccccc1Cl)N=C(Nc1nc3ccccc3s1)N2 ZINC000005904508 568829135 /nfs/dbraw/zinc/82/91/35/568829135.db2.gz DZXQVIXJFVSDCM-IBGZPJMESA-N 0 0 408.914 5.910 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br ZINC000005904608 557680198 /nfs/dbraw/zinc/68/01/98/557680198.db2.gz JPVFGRYJPIXCIF-UHFFFAOYSA-N 0 0 411.137 5.761 50 0 HKAARN CCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000005904760 557680183 /nfs/dbraw/zinc/68/01/83/557680183.db2.gz NOKVTQCCJMMNET-UHFFFAOYSA-N 0 0 409.464 6.002 50 0 HKAARN O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005905300 568829081 /nfs/dbraw/zinc/82/90/81/568829081.db2.gz HCWKOYGASNRSTG-ZHACJKMWSA-N 0 0 405.504 5.083 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccccc1F ZINC000005905310 560739122 /nfs/dbraw/zinc/73/91/22/560739122.db2.gz JZYHLJBSJUASFO-UHFFFAOYSA-N 0 0 407.495 5.229 50 0 HKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000005906003 568829191 /nfs/dbraw/zinc/82/91/91/568829191.db2.gz XWOGAHNDSHUBIM-ZZIIXHQDSA-N 0 0 413.517 6.670 50 0 biogenic HKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000005906015 568829251 /nfs/dbraw/zinc/82/92/51/568829251.db2.gz XKFBBPQKVDJQLL-ZZIIXHQDSA-N 0 0 413.517 6.670 50 0 biogenic HKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000005906047 568829201 /nfs/dbraw/zinc/82/92/01/568829201.db2.gz HJKNFVLDBUGHTG-LKUDQCMESA-N 0 0 405.519 6.418 50 0 biogenic HKAARN CCOc1cc(-c2cccs2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000005906071 568829203 /nfs/dbraw/zinc/82/92/03/568829203.db2.gz KMYQGTIDCVEPTK-LKUDQCMESA-N 0 0 405.519 6.418 50 0 biogenic HKAARN COc1cc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000005906845 568829020 /nfs/dbraw/zinc/82/90/20/568829020.db2.gz BSARNBKGYFQBNA-QHHOJKITSA-N 0 0 411.457 5.284 50 0 HKAARN COc1cc(/C=C2\N=C(/C=C\c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000005906858 568829117 /nfs/dbraw/zinc/82/91/17/568829117.db2.gz BSARNBKGYFQBNA-ZHWAKNRJSA-N 0 0 411.457 5.284 50 0 HKAARN CCOc1ccccc1-c1nc(C(=O)NC2CCCCC2)cc2c3ccccc3[nH]c21 ZINC000005907507 568829238 /nfs/dbraw/zinc/82/92/38/568829238.db2.gz UEVSYXRAXONXPW-UHFFFAOYSA-N 0 0 413.521 5.844 50 0 biogenic HKAARN CCOc1ccccc1-c1nc(C(=O)NCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000005907537 568829236 /nfs/dbraw/zinc/82/92/36/568829236.db2.gz JTANUBKKFMGKQN-UHFFFAOYSA-N 0 0 421.500 5.712 50 0 biogenic HKAARN CCSc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)s1 ZINC000005909077 568829231 /nfs/dbraw/zinc/82/92/31/568829231.db2.gz VRZXVSGIHOMSHX-UHFFFAOYSA-N 0 0 406.536 5.426 50 0 HKAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000005911158 568829420 /nfs/dbraw/zinc/82/94/20/568829420.db2.gz ZFWARSBJFUSAFL-UHFFFAOYSA-N 0 0 421.562 5.956 50 0 HKAARN CCc1ccccc1N=C1S/C(=C/c2ccco2)C(=O)N1c1ccccc1CC ZINC000005911458 568829453 /nfs/dbraw/zinc/82/94/53/568829453.db2.gz RPYYSOZAOIITOP-KGXUUABDSA-N 0 0 402.519 6.213 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000005915628 568979628 /nfs/dbraw/zinc/97/96/28/568979628.db2.gz QDSBWGVHDAEIPF-NTEUORMPSA-N 0 0 405.450 5.157 50 0 HKAARN CCC(=O)c1ccc(-c2ccc(OC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000005916421 557680620 /nfs/dbraw/zinc/68/06/20/557680620.db2.gz HDJZGGWEBSOFCH-UHFFFAOYSA-N 0 0 413.395 6.576 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000005916778 568829665 /nfs/dbraw/zinc/82/96/65/568829665.db2.gz HVXIIGWCHSGIBK-GFCCVEGCSA-N 0 0 410.505 6.143 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000005916789 568829604 /nfs/dbraw/zinc/82/96/04/568829604.db2.gz QSNVSJWBWPDXBF-GFCCVEGCSA-N 0 0 410.505 6.143 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000005917053 568829647 /nfs/dbraw/zinc/82/96/47/568829647.db2.gz HVXIIGWCHSGIBK-LBPRGKRZSA-N 0 0 410.505 6.143 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000005917064 568829565 /nfs/dbraw/zinc/82/95/65/568829565.db2.gz QSNVSJWBWPDXBF-LBPRGKRZSA-N 0 0 410.505 6.143 50 0 HKAARN COc1cccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 ZINC000005918670 568829483 /nfs/dbraw/zinc/82/94/83/568829483.db2.gz XZZOMYYOCLLFJB-UHFFFAOYSA-N 0 0 412.533 5.609 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2sc3ccccc3c2Cl)n1 ZINC000005918972 568829553 /nfs/dbraw/zinc/82/95/53/568829553.db2.gz FAGKMUWKHVOVCN-UHFFFAOYSA-N 0 0 400.912 5.939 50 0 HKAARN Cc1c(C)c2c(c(C)c1O)CC[C@@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000005921400 568829862 /nfs/dbraw/zinc/82/98/62/568829862.db2.gz WCLCXQXLAQYYQC-DNRQZRRGSA-N 0 0 416.690 8.450 50 0 biogenic HKAARN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)c1 ZINC000005923672 568829899 /nfs/dbraw/zinc/82/98/99/568829899.db2.gz DIMNNIZBFVCOMY-UHFFFAOYSA-N 0 0 411.889 5.174 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)c(OC)c1 ZINC000005925527 568829785 /nfs/dbraw/zinc/82/97/85/568829785.db2.gz KTPWXDYGTDHITB-UHFFFAOYSA-N 0 0 405.538 5.732 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1C ZINC000005925629 568829795 /nfs/dbraw/zinc/82/97/95/568829795.db2.gz PMTULCPWDUWVBO-UHFFFAOYSA-N 0 0 414.939 6.248 50 0 HKAARN COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000005926541 568829974 /nfs/dbraw/zinc/82/99/74/568829974.db2.gz WVWBIFLINMOEBB-UHFFFAOYSA-N 0 0 404.441 5.484 50 0 HKAARN Cc1ccc2[nH]c(SCc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)nc2c1 ZINC000005927789 568829830 /nfs/dbraw/zinc/82/98/30/568829830.db2.gz FTGNABBSVKNGSV-UHFFFAOYSA-N 0 0 404.520 5.129 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2c1ccc1ccccc12 ZINC000005928366 557681093 /nfs/dbraw/zinc/68/10/93/557681093.db2.gz FDMHEJGTZBAYJQ-UHFFFAOYSA-N 0 0 419.480 6.167 50 0 HKAARN COc1cccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000005930577 568829920 /nfs/dbraw/zinc/82/99/20/568829920.db2.gz XTAMEOZGKZOAFS-UHFFFAOYSA-N 0 0 419.550 5.007 50 0 HKAARN COc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000005931333 537068388 /nfs/dbraw/zinc/06/83/88/537068388.db2.gz COSPFQJJMXDURN-UHFFFAOYSA-N 0 0 419.550 5.007 50 0 HKAARN COc1cccc(-c2nc(C(=O)NCCc3ccccc3)cc3c4ccccc4[nH]c32)c1 ZINC000005932590 568830198 /nfs/dbraw/zinc/83/01/98/568830198.db2.gz VOHCTVFBPNOTNN-UHFFFAOYSA-N 0 0 421.500 5.364 50 0 biogenic HKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(CC)CC)cc1 ZINC000005932632 568830165 /nfs/dbraw/zinc/83/01/65/568830165.db2.gz STBABXPUZBGARC-HXUWFJFHSA-N 0 0 417.575 5.531 50 0 HKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 ZINC000005932633 568830243 /nfs/dbraw/zinc/83/02/43/568830243.db2.gz WPSBKVYQGQAQNI-MGPUTAFESA-N 0 0 417.575 5.531 50 0 HKAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 ZINC000005932634 568830217 /nfs/dbraw/zinc/83/02/17/568830217.db2.gz WPSBKVYQGQAQNI-FOIQADDNSA-N 0 0 417.575 5.531 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(Br)cc3)ccc21 ZINC000005934409 568830239 /nfs/dbraw/zinc/83/02/39/568830239.db2.gz XOOBUJUQHBDFRZ-UHFFFAOYSA-N 0 0 407.311 5.758 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)o2)cc1 ZINC000005934589 132308656 /nfs/dbraw/zinc/30/86/56/132308656.db2.gz XNLVBLVMAJFIHQ-UHFFFAOYSA-N 0 0 422.912 6.045 50 0 HKAARN Cc1noc(C)c1CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C ZINC000005935548 568830533 /nfs/dbraw/zinc/83/05/33/568830533.db2.gz AGFQMHVPWBYTDR-UHFFFAOYSA-N 0 0 404.539 5.372 50 0 HKAARN Cc1csc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)n1 ZINC000005936213 568830202 /nfs/dbraw/zinc/83/02/02/568830202.db2.gz FZTPLYCDKSDDMV-UHFFFAOYSA-N 0 0 417.600 5.025 50 0 HKAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000005936580 568830311 /nfs/dbraw/zinc/83/03/11/568830311.db2.gz ANCLIOKDMZTNSH-HNNXBMFYSA-N 0 0 412.411 5.449 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000005936582 568830310 /nfs/dbraw/zinc/83/03/10/568830310.db2.gz ANCLIOKDMZTNSH-OAHLLOKOSA-N 0 0 412.411 5.449 50 0 HKAARN Cc1cc(C(=O)CSCc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 ZINC000005936638 568830318 /nfs/dbraw/zinc/83/03/18/568830318.db2.gz VBHAWGDYPXGFFN-UHFFFAOYSA-N 0 0 408.350 6.169 50 0 HKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000005936716 568830319 /nfs/dbraw/zinc/83/03/19/568830319.db2.gz DLZRVPWESNCADN-UHFFFAOYSA-N 0 0 402.563 6.130 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000005936742 568830324 /nfs/dbraw/zinc/83/03/24/568830324.db2.gz QIPVZWWBDMEVLP-UHFFFAOYSA-N 0 0 405.519 5.309 50 0 HKAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000005936957 568830330 /nfs/dbraw/zinc/83/03/30/568830330.db2.gz MMPGPRWJOUXCEJ-UHFFFAOYSA-N 0 0 417.509 5.065 50 0 HKAARN CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1OCCC ZINC000005937179 568830315 /nfs/dbraw/zinc/83/03/15/568830315.db2.gz WXFPDGBVKKWIGC-UHFFFAOYSA-N 0 0 422.319 5.044 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)OCCOc1ccc(Cl)cc1 ZINC000005937199 568830493 /nfs/dbraw/zinc/83/04/93/568830493.db2.gz SODZLZXPZBXRJO-UHFFFAOYSA-N 0 0 409.663 5.393 50 0 HKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3cccs3)c2c1C ZINC000005937340 568830858 /nfs/dbraw/zinc/83/08/58/568830858.db2.gz VJVDJLMMMIRHCJ-UHFFFAOYSA-N 0 0 411.577 5.451 50 0 HKAARN CCn1c(SCc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000005937379 568830850 /nfs/dbraw/zinc/83/08/50/568830850.db2.gz DISDKXXXDNBGNY-UHFFFAOYSA-N 0 0 406.382 6.688 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000005937571 568830763 /nfs/dbraw/zinc/83/07/63/568830763.db2.gz LXSGJJUZMLCYKE-UHFFFAOYSA-N 0 0 402.837 5.536 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000005937572 568830852 /nfs/dbraw/zinc/83/08/52/568830852.db2.gz UHWUQQLTFPCMKG-UHFFFAOYSA-N 0 0 415.880 5.766 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C/c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000005937688 557681566 /nfs/dbraw/zinc/68/15/66/557681566.db2.gz NUFZTFYAHMYMLP-STZFKDTASA-N 0 0 407.391 5.741 50 0 HKAARN Cc1cc(C(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C)n1Cc1cccs1 ZINC000005937760 568830976 /nfs/dbraw/zinc/83/09/76/568830976.db2.gz MKZAJEMWMDSJQW-UHFFFAOYSA-N 0 0 419.546 6.101 50 0 HKAARN CCCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1OCCC ZINC000005937831 568830998 /nfs/dbraw/zinc/83/09/98/568830998.db2.gz MKOGWOBYIBTTNC-UHFFFAOYSA-N 0 0 422.319 5.044 50 0 HKAARN O=C(OCCOc1ccccc1F)c1oc2ccccc2c1COc1ccccc1 ZINC000005937842 568830994 /nfs/dbraw/zinc/83/09/94/568830994.db2.gz IEUSEPKEDFBOKG-UHFFFAOYSA-N 0 0 406.409 5.387 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000005937859 568831018 /nfs/dbraw/zinc/83/10/18/568831018.db2.gz YTNVVDUDPAXHQL-FXAWDEMLSA-N 0 0 421.570 5.131 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000005937860 568830978 /nfs/dbraw/zinc/83/09/78/568830978.db2.gz YTNVVDUDPAXHQL-PXNSSMCTSA-N 0 0 421.570 5.131 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000005937861 568830986 /nfs/dbraw/zinc/83/09/86/568830986.db2.gz YTNVVDUDPAXHQL-YLJYHZDGSA-N 0 0 421.570 5.131 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000005937862 568831014 /nfs/dbraw/zinc/83/10/14/568831014.db2.gz YTNVVDUDPAXHQL-XLIONFOSSA-N 0 0 421.570 5.131 50 0 HKAARN CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000005937936 568831037 /nfs/dbraw/zinc/83/10/37/568831037.db2.gz GJDQAWHUYZDPOS-UHFFFAOYSA-N 0 0 402.475 5.183 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000005937952 568831012 /nfs/dbraw/zinc/83/10/12/568831012.db2.gz JDILGISWLFQACF-UHFFFAOYSA-N 0 0 409.533 5.651 50 0 HKAARN CCc1ccc2nc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)sc2c1 ZINC000005937953 568830979 /nfs/dbraw/zinc/83/09/79/568830979.db2.gz QLHMQRMNTIJOLR-UHFFFAOYSA-N 0 0 404.539 5.233 50 0 HKAARN Cc1ccc(NC(=O)CC2(C(=O)OCc3cccc4ccccc43)CCCC2)cc1 ZINC000005938013 568830968 /nfs/dbraw/zinc/83/09/68/568830968.db2.gz AVBPGYUYADMSFB-UHFFFAOYSA-N 0 0 401.506 5.781 50 0 HKAARN CCCN(Cc1ccccc1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000005938042 568830918 /nfs/dbraw/zinc/83/09/18/568830918.db2.gz RVXCGMHJXOIHDF-UHFFFAOYSA-N 0 0 411.501 5.821 50 0 HKAARN Cc1ccsc1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000005938055 568831106 /nfs/dbraw/zinc/83/11/06/568831106.db2.gz BTCVSJKJHZDRBC-UHFFFAOYSA-N 0 0 404.354 6.223 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000005938104 568831083 /nfs/dbraw/zinc/83/10/83/568831083.db2.gz PVUHSFZUAXKNCJ-UHFFFAOYSA-N 0 0 418.518 5.612 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc(Br)c1 ZINC000005938142 568831211 /nfs/dbraw/zinc/83/12/11/568831211.db2.gz KQJBFUYZCJVGMZ-UHFFFAOYSA-N 0 0 405.342 5.303 50 0 HKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000005938145 568831173 /nfs/dbraw/zinc/83/11/73/568831173.db2.gz UYORHEZNFVVCHE-UHFFFAOYSA-N 0 0 417.549 5.446 50 0 HKAARN Cc1ccc2c(CSc3nnc4c(Cl)cc(Cl)cn34)cc(=O)oc2c1C ZINC000005938172 568831208 /nfs/dbraw/zinc/83/12/08/568831208.db2.gz ZKGTYFVNJUYWPH-UHFFFAOYSA-N 0 0 406.294 5.052 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccco1 ZINC000005938384 568830485 /nfs/dbraw/zinc/83/04/85/568830485.db2.gz KDYZILSZHFQYJC-UHFFFAOYSA-N 0 0 412.445 5.885 50 0 HKAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(OC(F)F)cc1 ZINC000005938468 568830676 /nfs/dbraw/zinc/83/06/76/568830676.db2.gz FSGBONKBBBDOKB-GOSISDBHSA-N 0 0 412.461 5.393 50 0 HKAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(OC(F)F)cc1 ZINC000005938469 568830664 /nfs/dbraw/zinc/83/06/64/568830664.db2.gz FSGBONKBBBDOKB-SFHVURJKSA-N 0 0 412.461 5.393 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005938613 568830655 /nfs/dbraw/zinc/83/06/55/568830655.db2.gz NIVWPGQXHVCAKG-MBBDBFLNSA-N 0 0 416.565 5.582 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005938614 568830667 /nfs/dbraw/zinc/83/06/67/568830667.db2.gz NIVWPGQXHVCAKG-FVFHPELPSA-N 0 0 416.565 5.582 50 0 HKAARN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000005938634 568830694 /nfs/dbraw/zinc/83/06/94/568830694.db2.gz AGMMQMFUFIVUSP-UHFFFAOYSA-N 0 0 406.294 5.328 50 0 HKAARN COc1ccccc1NC(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000005938814 568830696 /nfs/dbraw/zinc/83/06/96/568830696.db2.gz JFJGTNCGRWIMQD-UHFFFAOYSA-N 0 0 405.479 5.358 50 0 HKAARN O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1cccc(Cl)c1Cl ZINC000005938904 568830846 /nfs/dbraw/zinc/83/08/46/568830846.db2.gz ZSXRCVOXUYNGCP-HNNXBMFYSA-N 0 0 405.310 5.099 50 0 HKAARN O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1cccc(Cl)c1Cl ZINC000005938905 568830769 /nfs/dbraw/zinc/83/07/69/568830769.db2.gz ZSXRCVOXUYNGCP-OAHLLOKOSA-N 0 0 405.310 5.099 50 0 HKAARN S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000005939240 568830785 /nfs/dbraw/zinc/83/07/85/568830785.db2.gz ZMRNOJBNSDRVJL-UHFFFAOYSA-N 0 0 414.534 5.410 50 0 HKAARN Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1-c1ccccc1 ZINC000005939342 568830823 /nfs/dbraw/zinc/83/08/23/568830823.db2.gz VUYPTSWRVPSUNF-NRFANRHFSA-N 0 0 418.497 5.187 50 0 HKAARN c1cc(-c2nnc3n2CCCCC3)ccc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000005939378 568830855 /nfs/dbraw/zinc/83/08/55/568830855.db2.gz HVRYVEBRFXBIAK-UHFFFAOYSA-N 0 0 416.554 5.299 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1c2ccccc2C[C@H]1C ZINC000005941507 568831116 /nfs/dbraw/zinc/83/11/16/568831116.db2.gz XQXXBKCGROJHAR-CQSZACIVSA-N 0 0 408.548 5.350 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000005941543 568831133 /nfs/dbraw/zinc/83/11/33/568831133.db2.gz XQXXBKCGROJHAR-AWEZNQCLSA-N 0 0 408.548 5.350 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCc2cc(C)ccc21 ZINC000005941948 132308779 /nfs/dbraw/zinc/30/87/79/132308779.db2.gz TVFCZXRVDGTEOJ-UHFFFAOYSA-N 0 0 422.575 5.660 50 0 HKAARN Clc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2)cc1 ZINC000005942152 557681601 /nfs/dbraw/zinc/68/16/01/557681601.db2.gz JLFFBDUXGIUJMB-KAVGSWPWSA-N 0 0 403.312 7.277 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1C ZINC000005942618 557681840 /nfs/dbraw/zinc/68/18/40/557681840.db2.gz URHSHLUXBAOPGZ-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCC3)c2c1 ZINC000005942828 568831333 /nfs/dbraw/zinc/83/13/33/568831333.db2.gz PUUATRDPGZQQJZ-UHFFFAOYSA-N 0 0 409.327 5.599 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 ZINC000005942841 568831291 /nfs/dbraw/zinc/83/12/91/568831291.db2.gz ZOHKRNLJGRLYRJ-UHFFFAOYSA-N 0 0 416.864 6.764 50 0 HKAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000005942982 568831367 /nfs/dbraw/zinc/83/13/67/568831367.db2.gz UTNRNNCZUNBDBF-UHFFFAOYSA-N 0 0 411.505 5.053 50 0 HKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)c1C ZINC000005943020 557681870 /nfs/dbraw/zinc/68/18/70/557681870.db2.gz FVDKVHSOGIDDSF-UHFFFAOYSA-N 0 0 404.535 5.428 50 0 HKAARN Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000005943039 568831345 /nfs/dbraw/zinc/83/13/45/568831345.db2.gz KKCPLLLJGDQCRB-UHFFFAOYSA-N 0 0 416.308 5.464 50 0 HKAARN Cn1nc(C(F)(F)F)c2cc(CSc3ccc(Br)cc3)sc21 ZINC000005943379 568831380 /nfs/dbraw/zinc/83/13/80/568831380.db2.gz LORNJXQWYRJLMX-UHFFFAOYSA-N 0 0 407.280 5.708 50 0 HKAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)cc1 ZINC000005943938 534850432 /nfs/dbraw/zinc/85/04/32/534850432.db2.gz RYIRDUZTLWDZNZ-FQEVSTJZSA-N 0 0 424.610 5.064 50 0 HKAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)cc1 ZINC000005943940 534851038 /nfs/dbraw/zinc/85/10/38/534851038.db2.gz RYIRDUZTLWDZNZ-HXUWFJFHSA-N 0 0 424.610 5.064 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]1C ZINC000005944131 568831503 /nfs/dbraw/zinc/83/15/03/568831503.db2.gz ADILOWWLRFRUNW-ZOCZFRKYSA-N 0 0 423.557 5.469 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]1C ZINC000005944134 568831469 /nfs/dbraw/zinc/83/14/69/568831469.db2.gz ADILOWWLRFRUNW-WHSLLNHNSA-N 0 0 423.557 5.469 50 0 HKAARN O=C(OCCOc1c(Cl)cccc1Cl)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000005944197 568831482 /nfs/dbraw/zinc/83/14/82/568831482.db2.gz URNLMGONDHGUEV-UHFFFAOYSA-N 0 0 404.293 5.589 50 0 HKAARN c1cc(Cc2ccc3oc(C4CCCCC4)nc3c2)cc2nc(C3CCCCC3)oc12 ZINC000005945517 557681887 /nfs/dbraw/zinc/68/18/87/557681887.db2.gz NALIBHUOMSMHKI-UHFFFAOYSA-N 0 0 414.549 7.655 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000005946331 535326705 /nfs/dbraw/zinc/32/67/05/535326705.db2.gz HRUNKZCJWMLQGH-UHFFFAOYSA-N 0 0 420.475 6.127 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000005946718 568831675 /nfs/dbraw/zinc/83/16/75/568831675.db2.gz QYAZPZSJUGNPES-WMZHIEFXSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000005946719 568831734 /nfs/dbraw/zinc/83/17/34/568831734.db2.gz QYAZPZSJUGNPES-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000005946830 557681901 /nfs/dbraw/zinc/68/19/01/557681901.db2.gz KKPNVLZVLQDOOK-RUZDIDTESA-N 0 0 401.575 6.001 50 0 HKAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000005946832 557681937 /nfs/dbraw/zinc/68/19/37/557681937.db2.gz KKPNVLZVLQDOOK-VWLOTQADSA-N 0 0 401.575 6.001 50 0 HKAARN Clc1ccc(-c2csc(N(CCc3ccccc3)CCc3ccccc3)n2)cc1 ZINC000005946865 557681952 /nfs/dbraw/zinc/68/19/52/557681952.db2.gz WZONOPMIKKPRJP-UHFFFAOYSA-N 0 0 418.993 6.755 50 0 HKAARN O=c1oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c2c1CCCC2 ZINC000005947084 557681915 /nfs/dbraw/zinc/68/19/15/557681915.db2.gz BQAMJAWOYFAHDN-UHFFFAOYSA-N 0 0 412.485 5.830 50 0 HKAARN CCOC(=O)c1c(NC(=S)N2CCCc3ccccc32)sc2c1CCCCC2 ZINC000005948015 132308755 /nfs/dbraw/zinc/30/87/55/132308755.db2.gz BTXBVIZWPWIXIA-UHFFFAOYSA-N 0 0 414.596 5.343 50 0 HKAARN CCOC(=O)c1c(NC(=S)N2CCc3ccccc32)sc2c1CCCCCC2 ZINC000005948020 568831706 /nfs/dbraw/zinc/83/17/06/568831706.db2.gz RJVABFGWUGJDNU-UHFFFAOYSA-N 0 0 414.596 5.343 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2cc(C)cc(C)c2)sc2c1CCCCCC2 ZINC000005948036 568831649 /nfs/dbraw/zinc/83/16/49/568831649.db2.gz QDEBWEPZSWZRIP-UHFFFAOYSA-N 0 0 416.612 6.010 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C)c(C)c2)sc2c1CCCCCC2 ZINC000005948037 568831731 /nfs/dbraw/zinc/83/17/31/568831731.db2.gz MPQASXROOKWKMM-UHFFFAOYSA-N 0 0 416.612 6.010 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCCCCC2 ZINC000005948041 568831647 /nfs/dbraw/zinc/83/16/47/568831647.db2.gz OTSGBRDNSZZSFS-UHFFFAOYSA-N 0 0 402.585 5.701 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CCCCCC2 ZINC000005948043 568831664 /nfs/dbraw/zinc/83/16/64/568831664.db2.gz SZYZLSDNXNSOJY-UHFFFAOYSA-N 0 0 418.584 5.401 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2C)sc2c1CCCCCC2 ZINC000005948045 568831669 /nfs/dbraw/zinc/83/16/69/568831669.db2.gz LYOZBUZYQPHKOS-UHFFFAOYSA-N 0 0 416.612 6.010 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CCCCCC2 ZINC000005948050 568831678 /nfs/dbraw/zinc/83/16/78/568831678.db2.gz XJRYZGCNPIRHQE-UHFFFAOYSA-N 0 0 402.585 5.701 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2c1CCCCCC2 ZINC000005948052 568831700 /nfs/dbraw/zinc/83/17/00/568831700.db2.gz UZVHBTLDFULICK-UHFFFAOYSA-N 0 0 418.584 5.401 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccccc2C)sc2c1CCCCCC2 ZINC000005948054 568831682 /nfs/dbraw/zinc/83/16/82/568831682.db2.gz OSYLDIQOBWTYJC-UHFFFAOYSA-N 0 0 402.585 5.701 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCc2ccccc21 ZINC000005948067 568831742 /nfs/dbraw/zinc/83/17/42/568831742.db2.gz JNNISYCTCLKVMM-UHFFFAOYSA-N 0 0 422.575 5.275 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCc2ccccc21 ZINC000005948070 568831696 /nfs/dbraw/zinc/83/16/96/568831696.db2.gz MOUGVVVOFSWADB-UHFFFAOYSA-N 0 0 408.548 5.351 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000005948077 568831660 /nfs/dbraw/zinc/83/16/60/568831660.db2.gz IVSLYVGOMOBTLV-HNNXBMFYSA-N 0 0 422.575 5.740 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1c2ccccc2C[C@H]1C ZINC000005948079 568831702 /nfs/dbraw/zinc/83/17/02/568831702.db2.gz IVSLYVGOMOBTLV-OAHLLOKOSA-N 0 0 422.575 5.740 50 0 HKAARN c1cc(Cc2nc(-c3ccccc3)cs2)oc1Cc1nc(-c2ccccc2)cs1 ZINC000005948102 557682267 /nfs/dbraw/zinc/68/22/67/557682267.db2.gz KKDVCWHQUICQPK-UHFFFAOYSA-N 0 0 414.555 6.708 50 0 HKAARN CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000005948438 557682270 /nfs/dbraw/zinc/68/22/70/557682270.db2.gz GKPAFIRKHYAZAA-UHFFFAOYSA-N 0 0 417.465 5.248 50 0 HKAARN Brc1ccc(SCc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000005949219 568831850 /nfs/dbraw/zinc/83/18/50/568831850.db2.gz XSPTXERCDIGNSK-UHFFFAOYSA-N 0 0 412.377 7.018 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000005949312 568831811 /nfs/dbraw/zinc/83/18/11/568831811.db2.gz NLWSBUGJGVSDJP-UHFFFAOYSA-N 0 0 418.562 5.782 50 0 HKAARN CCc1c(C)sc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c1C(=O)OC ZINC000005950056 132308736 /nfs/dbraw/zinc/30/87/36/132308736.db2.gz OVCNJKNGEYMGNJ-NSHDSACASA-N 0 0 406.548 5.083 50 0 HKAARN CCc1c(C)sc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1C(=O)OC ZINC000005950057 132308746 /nfs/dbraw/zinc/30/87/46/132308746.db2.gz OVCNJKNGEYMGNJ-LLVKDONJSA-N 0 0 406.548 5.083 50 0 HKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000005950278 557682137 /nfs/dbraw/zinc/68/21/37/557682137.db2.gz CVRZXPKNFROQAJ-URFUVCHWSA-N 0 0 413.904 5.085 50 0 HKAARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000005950281 557682227 /nfs/dbraw/zinc/68/22/27/557682227.db2.gz CVRZXPKNFROQAJ-FPMFRTRJSA-N 0 0 413.904 5.085 50 0 HKAARN CCCCCC1CCC(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000005951068 568832021 /nfs/dbraw/zinc/83/20/21/568832021.db2.gz RCOGFLTYOIMFSX-UHFFFAOYSA-N 0 0 418.408 8.100 50 0 HKAARN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3C)cc1)C2=O ZINC000005952085 557682323 /nfs/dbraw/zinc/68/23/23/557682323.db2.gz ACMQJMYWJIGDHN-UHFFFAOYSA-N 0 0 415.445 5.155 50 0 HKAARN CCOP(=O)(OCC)[C@](C)(NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000005953340 557682424 /nfs/dbraw/zinc/68/24/24/557682424.db2.gz VMHUXVQELFRNFJ-QFIPXVFZSA-N 0 0 418.474 5.872 50 0 HKAARN CCOP(=O)(OCC)[C@@](C)(NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000005953345 557682398 /nfs/dbraw/zinc/68/23/98/557682398.db2.gz VMHUXVQELFRNFJ-JOCHJYFZSA-N 0 0 418.474 5.872 50 0 HKAARN CC[C@H](Nc1ccc(Cl)cc1C)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 ZINC000005953873 568832164 /nfs/dbraw/zinc/83/21/64/568832164.db2.gz OAKYMHYUFYJLQB-LCNVYMBASA-N 0 0 411.977 6.168 50 0 HKAARN CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 ZINC000005954016 568832148 /nfs/dbraw/zinc/83/21/48/568832148.db2.gz OAKYMHYUFYJLQB-HGWIYHHFSA-N 0 0 411.977 6.168 50 0 HKAARN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000005954386 557682589 /nfs/dbraw/zinc/68/25/89/557682589.db2.gz QJVBIXFQJVVLEE-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000005955512 568832209 /nfs/dbraw/zinc/83/22/09/568832209.db2.gz NJOADSWQRUHQLW-UHFFFAOYSA-N 0 0 408.383 5.601 50 0 HKAARN COc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3cc(C)ccc3O2)cc1 ZINC000005956758 568832178 /nfs/dbraw/zinc/83/21/78/568832178.db2.gz FRYBBNKJHFNCKW-FLFQWRMESA-N 0 0 409.441 5.152 50 0 HKAARN Cc1cc2oc(=O)cc(CSCc3ccc(Br)cc3)c2cc1C(C)C ZINC000005958234 568832310 /nfs/dbraw/zinc/83/23/10/568832310.db2.gz GCEFELUHMCKHCY-UHFFFAOYSA-N 0 0 417.368 6.421 50 0 HKAARN CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NCCc1ccccc1 ZINC000005958588 568832363 /nfs/dbraw/zinc/83/23/63/568832363.db2.gz VRZPZLQPJVOOLZ-UHFFFAOYSA-N 0 0 412.489 5.858 50 0 HKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(F)c(F)c(F)c1F ZINC000005958697 568832372 /nfs/dbraw/zinc/83/23/72/568832372.db2.gz JREPLWKUGBLDBM-UHFFFAOYSA-N 0 0 411.358 5.348 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(OC)cc2)scc1-c1ccc(F)cc1 ZINC000005959129 568832384 /nfs/dbraw/zinc/83/23/84/568832384.db2.gz SAULSWDMTUOQEL-XGICHPGQSA-N 0 0 411.454 5.001 50 0 HKAARN COc1ccc(/C=C\c2ccccc2-c2ccccc2/C=C\c2ccc(OC)cc2)cc1 ZINC000005959276 568832421 /nfs/dbraw/zinc/83/24/21/568832421.db2.gz CNSQRYYNSMPLGU-WHYMJUELSA-N 0 0 418.536 7.712 50 0 HKAARN COc1ccc(CCNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccccc3)n2)cc1 ZINC000005959406 568832319 /nfs/dbraw/zinc/83/23/19/568832319.db2.gz YHONNXXJCMDDQN-UHFFFAOYSA-N 0 0 421.500 5.364 50 0 biogenic HKAARN COc1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000005959593 568832594 /nfs/dbraw/zinc/83/25/94/568832594.db2.gz GVGTYMXPUZMXNV-UHFFFAOYSA-N 0 0 421.500 5.364 50 0 biogenic HKAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000005959602 568832473 /nfs/dbraw/zinc/83/24/73/568832473.db2.gz GNIQPHYMZQEXEI-UHFFFAOYSA-N 0 0 407.473 5.322 50 0 biogenic HKAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960485 557682816 /nfs/dbraw/zinc/68/28/16/557682816.db2.gz APZQUEXAYCKHEY-UHFFFAOYSA-N 0 0 404.853 5.899 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000005960491 557682839 /nfs/dbraw/zinc/68/28/39/557682839.db2.gz DQTUYWQXOPYUTR-UHFFFAOYSA-N 0 0 400.434 5.254 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960499 557682743 /nfs/dbraw/zinc/68/27/43/557682743.db2.gz JAKJJRFCSYMZRV-UHFFFAOYSA-N 0 0 404.853 5.899 50 0 HKAARN COc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000005961115 568832658 /nfs/dbraw/zinc/83/26/58/568832658.db2.gz LHHUQGZWGHKZQP-UHFFFAOYSA-N 0 0 421.500 5.364 50 0 biogenic HKAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000005961184 568832646 /nfs/dbraw/zinc/83/26/46/568832646.db2.gz FXCKPJVGFJZTPB-UHFFFAOYSA-N 0 0 400.482 5.113 50 0 HKAARN CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000005965511 568832848 /nfs/dbraw/zinc/83/28/48/568832848.db2.gz MYBRRXSNOPGAPS-HXUWFJFHSA-N 0 0 415.559 5.697 50 0 HKAARN CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000005965521 568832838 /nfs/dbraw/zinc/83/28/38/568832838.db2.gz MYBRRXSNOPGAPS-FQEVSTJZSA-N 0 0 415.559 5.697 50 0 HKAARN CCc1ccc2nc(NC(=O)COc3ccc(C4SCCS4)cc3)sc2c1 ZINC000005965885 568832680 /nfs/dbraw/zinc/83/26/80/568832680.db2.gz RDAGLYGMSIYVPC-UHFFFAOYSA-N 0 0 416.593 5.355 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1Br ZINC000005965937 568832649 /nfs/dbraw/zinc/83/26/49/568832649.db2.gz DRIMGGJAIZEJOD-UHFFFAOYSA-N 0 0 405.342 5.303 50 0 HKAARN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000005966200 568832871 /nfs/dbraw/zinc/83/28/71/568832871.db2.gz FNFPSGKLILBATL-UHFFFAOYSA-N 0 0 421.587 5.774 50 0 HKAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1Cc1ccco1 ZINC000005966206 568832851 /nfs/dbraw/zinc/83/28/51/568832851.db2.gz YXKMQOMVZPCTJD-UHFFFAOYSA-N 0 0 411.523 5.116 50 0 HKAARN COc1ccc(Nc2nc(CSc3nnc(-c4ccccc4F)o3)cs2)cc1 ZINC000005968356 568833018 /nfs/dbraw/zinc/83/30/18/568833018.db2.gz JQHWMIOOYVVWLQ-UHFFFAOYSA-N 0 0 414.487 5.377 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2ccc(C)s2)cs1)c1c(C)cc(C)cc1C ZINC000005974824 568833637 /nfs/dbraw/zinc/83/36/37/568833637.db2.gz PADVKMMPYHBYHG-UHFFFAOYSA-N 0 0 414.552 5.480 50 0 HKAARN CCC(=O)Nc1ccc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)cc1 ZINC000005976733 568833424 /nfs/dbraw/zinc/83/34/24/568833424.db2.gz ZSPYWTXQJUPZOR-UHFFFAOYSA-N 0 0 407.326 5.261 50 0 HKAARN CC(C)(C)c1cc([C@@H](c2cccs2)c2c[nH]c3ccccc32)cc(C(C)(C)C)c1O ZINC000005976749 568833448 /nfs/dbraw/zinc/83/34/48/568833448.db2.gz MVZDHTNPQBVHAR-XMMPIXPASA-N 0 0 417.618 7.710 50 0 HKAARN CC(C)(C)c1cc([C@H](c2cccs2)c2c[nH]c3ccccc32)cc(C(C)(C)C)c1O ZINC000005976751 568833411 /nfs/dbraw/zinc/83/34/11/568833411.db2.gz MVZDHTNPQBVHAR-DEOSSOPVSA-N 0 0 417.618 7.710 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005976902 557683170 /nfs/dbraw/zinc/68/31/70/557683170.db2.gz CZDKQKOAHAICSF-JSAMMMMSSA-N 0 0 402.663 6.360 50 0 endogenous,in-man HKAARN CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000005977312 568833441 /nfs/dbraw/zinc/83/34/41/568833441.db2.gz WYHWPJHNLZWVTL-XMMPIXPASA-N 0 0 420.534 5.430 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000005977313 568833455 /nfs/dbraw/zinc/83/34/55/568833455.db2.gz WYHWPJHNLZWVTL-DEOSSOPVSA-N 0 0 420.534 5.430 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccccc1 ZINC000005977369 557683214 /nfs/dbraw/zinc/68/32/14/557683214.db2.gz RRLNJLZTANLNJU-NTEUORMPSA-N 0 0 412.489 6.279 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000005977370 557683136 /nfs/dbraw/zinc/68/31/36/557683136.db2.gz GHOHOKHRZDEPQB-UHFFFAOYSA-N 0 0 416.477 5.888 50 0 HKAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000005977533 568833437 /nfs/dbraw/zinc/83/34/37/568833437.db2.gz GIHHTJQFQHXEOW-UHFFFAOYSA-N 0 0 413.395 5.092 50 0 HKAARN CCCCCCSc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC ZINC000005978104 568833545 /nfs/dbraw/zinc/83/35/45/568833545.db2.gz HDBUOYUNABKOMR-UHFFFAOYSA-N 0 0 411.571 5.664 50 0 HKAARN CCCCOc1ccc(C2=NC(=CNc3ccc(-c4ccccc4)cc3)C(=O)O2)cc1 ZINC000005978430 568833454 /nfs/dbraw/zinc/83/34/54/568833454.db2.gz IOQDCTPILXHVHY-MOHJPFBDSA-N 0 0 412.489 5.789 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000005978443 557683503 /nfs/dbraw/zinc/68/35/03/557683503.db2.gz XVTABJBSYUHIMS-UHFFFAOYSA-N 0 0 416.546 6.703 50 0 HKAARN CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1 ZINC000005978607 568833577 /nfs/dbraw/zinc/83/35/77/568833577.db2.gz HVEQWJSDRARXRJ-UHFFFAOYSA-N 0 0 403.507 5.018 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)sc2c1CC[C@@H](C)C2 ZINC000005979950 568833847 /nfs/dbraw/zinc/83/38/47/568833847.db2.gz GJQOQRMFAZCUFX-GDBMZVCRSA-N 0 0 415.555 5.072 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)sc2c1CC[C@H](C)C2 ZINC000005979951 568833901 /nfs/dbraw/zinc/83/39/01/568833901.db2.gz GJQOQRMFAZCUFX-GOEBONIOSA-N 0 0 415.555 5.072 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)cc2C)sc2c1CC[C@@H](C)C2 ZINC000005979952 568833868 /nfs/dbraw/zinc/83/38/68/568833868.db2.gz GJQOQRMFAZCUFX-ZBFHGGJFSA-N 0 0 415.555 5.072 50 0 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/nfs/dbraw/zinc/83/38/28/568833828.db2.gz KDTDSICIBZPHGZ-HUUCEWRRSA-N 0 0 402.585 5.267 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@@H](C)C[C@H](C)C1 ZINC000005980019 568833932 /nfs/dbraw/zinc/83/39/32/568833932.db2.gz KDTDSICIBZPHGZ-GJZGRUSLSA-N 0 0 402.585 5.267 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1[C@H](C)CCC[C@H]1C ZINC000005980021 568833838 /nfs/dbraw/zinc/83/38/38/568833838.db2.gz SNJJAVZKEAHANY-HUUCEWRRSA-N 0 0 402.585 5.552 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1[C@@H](C)CCC[C@@H]1C ZINC000005980022 568833896 /nfs/dbraw/zinc/83/38/96/568833896.db2.gz SNJJAVZKEAHANY-GJZGRUSLSA-N 0 0 402.585 5.552 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCC1=CCCCC1 ZINC000005980023 568833819 /nfs/dbraw/zinc/83/38/19/568833819.db2.gz PLLMUIWBGNPMKU-UHFFFAOYSA-N 0 0 414.596 5.769 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccccc1 ZINC000005980025 568833921 /nfs/dbraw/zinc/83/39/21/568833921.db2.gz OVISFBXHOKQGNG-UHFFFAOYSA-N 0 0 410.564 5.121 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(C)cc1 ZINC000005980028 568833875 /nfs/dbraw/zinc/83/38/75/568833875.db2.gz DQEIZYSCEMQXKB-UHFFFAOYSA-N 0 0 410.564 5.387 50 0 HKAARN CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3)ccc2c1=O ZINC000005980629 568834215 /nfs/dbraw/zinc/83/42/15/568834215.db2.gz ZIOTVIBUNCDFOA-UHFFFAOYSA-N 0 0 402.446 5.871 50 0 HKAARN CC(C)(C)c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000005980896 568834269 /nfs/dbraw/zinc/83/42/69/568834269.db2.gz KMLCCYJQXAIDKK-UHFFFAOYSA-N 0 0 414.505 5.152 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC[C@H]1CC ZINC000005984615 568834057 /nfs/dbraw/zinc/83/40/57/568834057.db2.gz ZZTCLWKMBCPKHH-MRXNPFEDSA-N 0 0 402.585 5.553 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)c2C(=O)OC)C1 ZINC000005984697 568834126 /nfs/dbraw/zinc/83/41/26/568834126.db2.gz FUGVJZMSIUIRCH-HZPDHXFCSA-N 0 0 415.555 5.072 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)c2C(=O)OC)C1 ZINC000005984698 568834079 /nfs/dbraw/zinc/83/40/79/568834079.db2.gz FUGVJZMSIUIRCH-JKSUJKDBSA-N 0 0 415.555 5.072 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC[C@@H]1CC ZINC000005984887 568834000 /nfs/dbraw/zinc/83/40/00/568834000.db2.gz ZZTCLWKMBCPKHH-INIZCTEOSA-N 0 0 402.585 5.553 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)c2C(=O)OC)C1 ZINC000005984968 568833996 /nfs/dbraw/zinc/83/39/96/568833996.db2.gz FUGVJZMSIUIRCH-CVEARBPZSA-N 0 0 415.555 5.072 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)c2C(=O)OC)C1 ZINC000005984969 568834115 /nfs/dbraw/zinc/83/41/15/568834115.db2.gz FUGVJZMSIUIRCH-HOTGVXAUSA-N 0 0 415.555 5.072 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 ZINC000005985214 557683522 /nfs/dbraw/zinc/68/35/22/557683522.db2.gz GMEKAVFQIPGHPZ-UHFFFAOYSA-N 0 0 414.509 5.331 50 0 HKAARN COc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1 ZINC000005986359 568834245 /nfs/dbraw/zinc/83/42/45/568834245.db2.gz QCSPLUPZDWDSPU-UHFFFAOYSA-N 0 0 401.491 5.815 50 0 HKAARN Cc1c(C)n(C)c2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)cc12 ZINC000005986563 568834222 /nfs/dbraw/zinc/83/42/22/568834222.db2.gz PZGYILMKNZSVAF-UHFFFAOYSA-N 0 0 420.965 6.852 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2SCCC(C)C)cc1Cl ZINC000005988429 568834439 /nfs/dbraw/zinc/83/44/39/568834439.db2.gz XFGUHWFHBNFOSU-UHFFFAOYSA-N 0 0 401.963 5.775 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000005990099 568834446 /nfs/dbraw/zinc/83/44/46/568834446.db2.gz HWVRUPXGIUUCEZ-UHFFFAOYSA-N 0 0 401.466 5.320 50 0 HKAARN COc1ccc(CCSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 ZINC000005991695 568834591 /nfs/dbraw/zinc/83/45/91/568834591.db2.gz MFYHEUSCDMUXHZ-UHFFFAOYSA-N 0 0 416.546 5.346 50 0 HKAARN COc1ccccc1/C=C(/C(=O)OCc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000005991971 568454656 /nfs/dbraw/zinc/45/46/56/568454656.db2.gz DQUIHWIVINFSTR-LTGZKZEYSA-N 0 0 412.445 5.029 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1 ZINC000005994479 568834585 /nfs/dbraw/zinc/83/45/85/568834585.db2.gz 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ZINC000006000396 568834738 /nfs/dbraw/zinc/83/47/38/568834738.db2.gz URTHYNVAJXAECY-UHFFFAOYSA-N 0 0 419.506 5.485 50 0 HKAARN Cc1nc2[nH]c(SCC(=O)c3ccc4ccccc4c3)nc2cc1Br ZINC000006000532 568834757 /nfs/dbraw/zinc/83/47/57/568834757.db2.gz VCUNNYXZPGAOFL-UHFFFAOYSA-N 0 0 412.312 5.157 50 0 HKAARN Cc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2n1 ZINC000006008449 558559147 /nfs/dbraw/zinc/55/91/47/558559147.db2.gz REHXAGJADGTWTQ-UHFFFAOYSA-N 0 0 409.316 6.595 50 0 HKAARN COc1ccc(/C=C\C(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC ZINC000006009240 568835044 /nfs/dbraw/zinc/83/50/44/568835044.db2.gz ZRMGYNPRVQCEJH-PEZBUJJGSA-N 0 0 401.506 5.055 50 0 HKAARN COc1ccc(Cl)cc1-c1nc(SCc2csc(-c3ccccc3)n2)n[nH]1 ZINC000006009408 568835032 /nfs/dbraw/zinc/83/50/32/568835032.db2.gz BNDPHRCRBKJXMV-UHFFFAOYSA-N 0 0 414.943 5.550 50 0 HKAARN Cc1ccc(-c2noc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n2)cc1 ZINC000006016983 557684397 /nfs/dbraw/zinc/68/43/97/557684397.db2.gz TYZNKDPOFTTWPU-UHFFFAOYSA-N 0 0 424.529 6.394 50 0 HKAARN Cc1sc2[nH]c(COc3c(Cl)cc(Cl)c4ccc(C)nc43)nc(=O)c2c1C ZINC000006017058 568835475 /nfs/dbraw/zinc/83/54/75/568835475.db2.gz OYYSARZVIYATMA-UHFFFAOYSA-N 0 0 420.321 5.344 50 0 HKAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006017225 568835387 /nfs/dbraw/zinc/83/53/87/568835387.db2.gz WFOQFHOHIFWKHM-UHFFFAOYSA-N 0 0 422.282 5.010 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl ZINC000006017226 568454543 /nfs/dbraw/zinc/45/45/43/568454543.db2.gz KSNFILKUPZRNFN-UHFFFAOYSA-N 0 0 421.884 6.489 50 0 HKAARN COc1ccccc1/C=C/c1ccc(-c2ccc(/C=C/c3ccccc3OC)cc2)cc1 ZINC000006019226 557684354 /nfs/dbraw/zinc/68/43/54/557684354.db2.gz HZAWHDJKNZWAAR-YHARCJFQSA-N 0 0 418.536 7.712 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000006022764 557684335 /nfs/dbraw/zinc/68/43/35/557684335.db2.gz USQVOIWINUIVNA-UHFFFAOYSA-N 0 0 406.869 5.944 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)C(C)(C)C)c(N)c32)cc1 ZINC000006022794 568835527 /nfs/dbraw/zinc/83/55/27/568835527.db2.gz IJEVDMKBOAXZDR-UHFFFAOYSA-N 0 0 416.546 6.450 50 0 HKAARN CC(C)(C)[P@@](=Nc1cccc(C(F)(F)F)c1)(c1ccncc1)N1CCCCCC1 ZINC000006022913 568835610 /nfs/dbraw/zinc/83/56/10/568835610.db2.gz IFLZFXAGMGTYTK-GDLZYMKVSA-N 0 0 423.463 6.848 50 0 HKAARN CC(C)(C)[P@](=Nc1cccc(C(F)(F)F)c1)(c1ccncc1)N1CCCCCC1 ZINC000006022914 568835542 /nfs/dbraw/zinc/83/55/42/568835542.db2.gz IFLZFXAGMGTYTK-LJAQVGFWSA-N 0 0 423.463 6.848 50 0 HKAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000006023175 568835505 /nfs/dbraw/zinc/83/55/05/568835505.db2.gz RGYNGPPRBYXFFX-MHZLTWQESA-N 0 0 408.545 6.437 50 0 HKAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000006023176 568835517 /nfs/dbraw/zinc/83/55/17/568835517.db2.gz RGYNGPPRBYXFFX-HHHXNRCGSA-N 0 0 408.545 6.437 50 0 HKAARN CCCCCCn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cn1 ZINC000006024369 568835503 /nfs/dbraw/zinc/83/55/03/568835503.db2.gz JGNGDLXXLVAIHV-UHFFFAOYSA-N 0 0 402.951 5.396 50 0 HKAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000006024964 568835500 /nfs/dbraw/zinc/83/55/00/568835500.db2.gz RFVNLNAHTHQZNW-HXUWFJFHSA-N 0 0 417.553 5.536 50 0 HKAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000006024965 568835654 /nfs/dbraw/zinc/83/56/54/568835654.db2.gz RFVNLNAHTHQZNW-FQEVSTJZSA-N 0 0 417.553 5.536 50 0 HKAARN COc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000006024966 568835666 /nfs/dbraw/zinc/83/56/66/568835666.db2.gz RWOHDUHLEYFDTF-UHFFFAOYSA-N 0 0 417.534 5.018 50 0 HKAARN CSCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000006024982 568835776 /nfs/dbraw/zinc/83/57/76/568835776.db2.gz SMHSTYSIDZMTKX-QFIPXVFZSA-N 0 0 415.562 5.305 50 0 HKAARN Cc1cc(C)c(-c2c(O)c(C(=O)c3ccccc3)c(-c3ccccc3)[nH]c2=O)c(C)c1 ZINC000006025170 557684655 /nfs/dbraw/zinc/68/46/55/557684655.db2.gz UKIJIVNFNJJSIK-UHFFFAOYSA-N 0 0 409.485 5.571 50 0 HKAARN Cc1cc(NC(=O)c2cccc(C)c2)n(-c2nc3ccccc3n2Cc2ccccc2)n1 ZINC000006025372 568835723 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CCCNC(=O)C[C@@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006026298 568835748 /nfs/dbraw/zinc/83/57/48/568835748.db2.gz OLGXGVRNECQIAM-OAQYLSRUSA-N 0 0 420.553 5.938 50 0 HKAARN CCCNC(=O)C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006026301 568835668 /nfs/dbraw/zinc/83/56/68/568835668.db2.gz OLGXGVRNECQIAM-NRFANRHFSA-N 0 0 420.553 5.938 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC ZINC000006026364 557684611 /nfs/dbraw/zinc/68/46/11/557684611.db2.gz AGBSEPVZAZSJDM-UHFFFAOYSA-N 0 0 414.546 5.290 50 0 HKAARN CCOc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccco2)cc1 ZINC000006026650 557684625 /nfs/dbraw/zinc/68/46/25/557684625.db2.gz LFIKQPXSKMNSRB-JXMROGBWSA-N 0 0 403.507 5.732 50 0 HKAARN CCc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccncc2)cc1 ZINC000006026846 568835690 /nfs/dbraw/zinc/83/56/90/568835690.db2.gz AFQLUTOLSXCTFZ-UHFFFAOYSA-N 0 0 418.497 5.006 50 0 HKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)c1 ZINC000006028409 568835915 /nfs/dbraw/zinc/83/59/15/568835915.db2.gz HWWORXKXXLLUMJ-UHFFFAOYSA-N 0 0 402.519 5.303 50 0 HKAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccc(Cl)cc2)c1 ZINC000006028411 568835836 /nfs/dbraw/zinc/83/58/36/568835836.db2.gz WYNGJACJQWWIGD-UHFFFAOYSA-N 0 0 408.910 5.340 50 0 HKAARN Clc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000006029718 568835921 /nfs/dbraw/zinc/83/59/21/568835921.db2.gz MOWIIQVVGDSQEO-UHFFFAOYSA-N 0 0 406.942 5.708 50 0 HKAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccs1 ZINC000006029753 568835936 /nfs/dbraw/zinc/83/59/36/568835936.db2.gz LFLPFLWJJYPOHV-UHFFFAOYSA-N 0 0 412.927 5.019 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000006030159 557684807 /nfs/dbraw/zinc/68/48/07/557684807.db2.gz JHDBVNJWHCMOQE-UHFFFAOYSA-N 0 0 414.461 5.319 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)cc1 ZINC000006033388 568836030 /nfs/dbraw/zinc/83/60/30/568836030.db2.gz YQOPLUDKTZXBEW-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1Cl ZINC000006033838 557684728 /nfs/dbraw/zinc/68/47/28/557684728.db2.gz RMGYLYWVLOVYOR-UHFFFAOYSA-N 0 0 418.880 6.208 50 0 HKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc(Cl)c1 ZINC000006034397 132308923 /nfs/dbraw/zinc/30/89/23/132308923.db2.gz BCGJJEZJPSFDFT-UWJYYQICSA-N 0 0 411.954 5.768 50 0 HKAARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc(Cl)c1 ZINC000006034399 132308941 /nfs/dbraw/zinc/30/89/41/132308941.db2.gz BCGJJEZJPSFDFT-UTKZUKDTSA-N 0 0 411.954 5.768 50 0 HKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc(Cl)c1 ZINC000006034402 132308900 /nfs/dbraw/zinc/30/89/00/132308900.db2.gz BCGJJEZJPSFDFT-LAUBAEHRSA-N 0 0 411.954 5.768 50 0 HKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc(Cl)c1 ZINC000006034404 132308924 /nfs/dbraw/zinc/30/89/24/132308924.db2.gz BCGJJEZJPSFDFT-DYESRHJHSA-N 0 0 411.954 5.768 50 0 HKAARN Cc1ccc2oc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nc2c1 ZINC000006034436 568836039 /nfs/dbraw/zinc/83/60/39/568836039.db2.gz KXEDGUBEUUIHQL-UHFFFAOYSA-N 0 0 408.910 6.187 50 0 HKAARN COc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000006034444 557684693 /nfs/dbraw/zinc/68/46/93/557684693.db2.gz LBMDJKYLXCLYTM-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN Cc1ccc2c(Cl)c(-c3nnc(-c4ccccc4Br)o3)sc2c1 ZINC000006034448 568836056 /nfs/dbraw/zinc/83/60/56/568836056.db2.gz HSMSSQYKZCLAMK-UHFFFAOYSA-N 0 0 405.704 6.343 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c1 ZINC000006034675 568836059 /nfs/dbraw/zinc/83/60/59/568836059.db2.gz UEERSNYAHXQWLP-UHFFFAOYSA-N 0 0 410.926 5.632 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000006034933 557684713 /nfs/dbraw/zinc/68/47/13/557684713.db2.gz CWCKSBLJHLPFSZ-UHFFFAOYSA-N 0 0 414.461 5.319 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(C)ccc2C)cc1 ZINC000006035239 568836053 /nfs/dbraw/zinc/83/60/53/568836053.db2.gz XTCZWAONYLCXPD-UHFFFAOYSA-N 0 0 416.546 5.694 50 0 HKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000006035262 568836024 /nfs/dbraw/zinc/83/60/24/568836024.db2.gz AWQBYETYIBIUIG-UHFFFAOYSA-N 0 0 408.910 5.340 50 0 HKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000006035263 568836025 /nfs/dbraw/zinc/83/60/25/568836025.db2.gz YKDJYMGLLJYQEH-UHFFFAOYSA-N 0 0 408.910 5.340 50 0 HKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000006035362 568836018 /nfs/dbraw/zinc/83/60/18/568836018.db2.gz OUCDJXWHCNCBEI-KRWDZBQOSA-N 0 0 410.499 5.144 50 0 HKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000006035363 568836048 /nfs/dbraw/zinc/83/60/48/568836048.db2.gz OUCDJXWHCNCBEI-QGZVFWFLSA-N 0 0 410.499 5.144 50 0 HKAARN CCCCCC(=O)Nc1ccc(C(=O)CSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000006035403 568836021 /nfs/dbraw/zinc/83/60/21/568836021.db2.gz ABFSDLSGGLXWEL-UHFFFAOYSA-N 0 0 414.556 5.027 50 0 HKAARN c1ccc(Oc2ccccc2CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000006035563 568836231 /nfs/dbraw/zinc/83/62/31/568836231.db2.gz UJZQHCYHGFLDFX-UHFFFAOYSA-N 0 0 404.447 5.550 50 0 HKAARN COc1ccccc1Nc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 ZINC000006035816 568836186 /nfs/dbraw/zinc/83/61/86/568836186.db2.gz QNPXYARWSWUXOY-UHFFFAOYSA-N 0 0 403.504 5.185 50 0 HKAARN COc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1 ZINC000006035834 568836188 /nfs/dbraw/zinc/83/61/88/568836188.db2.gz KIQRUVIYINNUNV-UHFFFAOYSA-N 0 0 414.556 5.019 50 0 HKAARN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036327 557685035 /nfs/dbraw/zinc/68/50/35/557685035.db2.gz BQMSKLCEWBSPPY-IKVTXIKFSA-N 0 0 418.662 5.474 50 0 endogenous,in-man HKAARN COC(=O)c1ccc(CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 ZINC000006038558 568836187 /nfs/dbraw/zinc/83/61/87/568836187.db2.gz CWHDEEIGAPXJKS-UHFFFAOYSA-N 0 0 404.491 5.113 50 0 HKAARN Cc1noc(C)c1CSc1nnc(COc2ccccc2C)n1-c1ccccc1 ZINC000006039314 568836204 /nfs/dbraw/zinc/83/62/04/568836204.db2.gz QTDZQCQPLYSASO-UHFFFAOYSA-N 0 0 406.511 5.052 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000006040850 557685029 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CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(CC)CC)cc1 ZINC000006066494 568991567 /nfs/dbraw/zinc/99/15/67/568991567.db2.gz STBABXPUZBGARC-FQEVSTJZSA-N 0 0 417.575 5.531 50 0 HKAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 ZINC000006066497 568991557 /nfs/dbraw/zinc/99/15/57/568991557.db2.gz WPSBKVYQGQAQNI-YWZLYKJASA-N 0 0 417.575 5.531 50 0 HKAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 ZINC000006066500 568991561 /nfs/dbraw/zinc/99/15/61/568991561.db2.gz WPSBKVYQGQAQNI-QRWLVFNGSA-N 0 0 417.575 5.531 50 0 HKAARN C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC1CCCCC1 ZINC000006067464 557685845 /nfs/dbraw/zinc/68/58/45/557685845.db2.gz GQJSFWYQKNQCIK-APFRJGHOSA-N 0 0 410.554 6.071 50 0 HKAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 ZINC000006072726 568992697 /nfs/dbraw/zinc/99/26/97/568992697.db2.gz KHWKEPOCVIFWRU-IFXJQAMLSA-N 0 0 403.548 5.141 50 0 HKAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 ZINC000006072727 568992630 /nfs/dbraw/zinc/99/26/30/568992630.db2.gz KHWKEPOCVIFWRU-AUUYWEPGSA-N 0 0 403.548 5.141 50 0 HKAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 ZINC000006072729 568992598 /nfs/dbraw/zinc/99/25/98/568992598.db2.gz KHWKEPOCVIFWRU-LIRRHRJNSA-N 0 0 403.548 5.141 50 0 HKAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 ZINC000006072730 568992839 /nfs/dbraw/zinc/99/28/39/568992839.db2.gz KHWKEPOCVIFWRU-KUHUBIRLSA-N 0 0 403.548 5.141 50 0 HKAARN CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000006073275 568992873 /nfs/dbraw/zinc/99/28/73/568992873.db2.gz DGXLLTLYNMJHOP-HXUWFJFHSA-N 0 0 415.559 5.285 50 0 HKAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000006073298 568992853 /nfs/dbraw/zinc/99/28/53/568992853.db2.gz DGXLLTLYNMJHOP-FQEVSTJZSA-N 0 0 415.559 5.285 50 0 HKAARN COc1ccc(/C=C\C(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc1 ZINC000006073318 568992844 /nfs/dbraw/zinc/99/28/44/568992844.db2.gz LJXFZUKQUVZCFF-XFXZXTDPSA-N 0 0 413.880 5.001 50 0 HKAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000006074130 557686057 /nfs/dbraw/zinc/68/60/57/557686057.db2.gz CESVGBNMHJBTHM-UHFFFAOYSA-N 0 0 419.531 5.292 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2NC(C(F)(F)F)=C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000006075351 557686249 /nfs/dbraw/zinc/68/62/49/557686249.db2.gz KHNSFHCKKKQVOK-HXUWFJFHSA-N 0 0 424.850 5.247 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000006075353 557686267 /nfs/dbraw/zinc/68/62/67/557686267.db2.gz KHNSFHCKKKQVOK-FQEVSTJZSA-N 0 0 424.850 5.247 50 0 HKAARN CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000006075887 557686262 /nfs/dbraw/zinc/68/62/62/557686262.db2.gz MGEOHISOXPXOLD-LJQANCHMSA-N 0 0 401.532 5.307 50 0 HKAARN CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000006075899 557686269 /nfs/dbraw/zinc/68/62/69/557686269.db2.gz MGEOHISOXPXOLD-IBGZPJMESA-N 0 0 401.532 5.307 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)N2CCCCCC2)cc1 ZINC000006076672 568992894 /nfs/dbraw/zinc/99/28/94/568992894.db2.gz XJMRVBVINXCUNM-PLRJNAJWSA-N 0 0 412.533 5.322 50 0 HKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(CCc3ccccc3)n2)cc1 ZINC000006076842 568992850 /nfs/dbraw/zinc/99/28/50/568992850.db2.gz QGTZRKVATQHYCM-UHFFFAOYSA-N 0 0 419.528 5.740 50 0 biogenic HKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc(C)cc3)n2)cc1 ZINC000006076845 568992869 /nfs/dbraw/zinc/99/28/69/568992869.db2.gz SUPUXJJEMHHGMX-UHFFFAOYSA-N 0 0 405.501 5.930 50 0 biogenic HKAARN COc1ccccc1-c1nc(C(=O)NCc2ccc(C)cc2)cc2c3ccccc3[nH]c21 ZINC000006076867 568992843 /nfs/dbraw/zinc/99/28/43/568992843.db2.gz IUDJNCQZWSYDDM-UHFFFAOYSA-N 0 0 421.500 5.630 50 0 biogenic HKAARN C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006077153 568993099 /nfs/dbraw/zinc/99/30/99/568993099.db2.gz FCGCLNRWCPLDFY-MPVQEXEOSA-N 0 0 407.529 5.739 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006077161 568993055 /nfs/dbraw/zinc/99/30/55/568993055.db2.gz FCGCLNRWCPLDFY-GWKODMSMSA-N 0 0 407.529 5.739 50 0 HKAARN Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccccc3)n2C)c2ccc(C)cc2)cc1 ZINC000006077229 568993005 /nfs/dbraw/zinc/99/30/05/568993005.db2.gz WNJXRVUNERHIFR-QHCPKHFHSA-N 0 0 413.546 5.815 50 0 HKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccccc3)n2C)c2ccc(C)cc2)cc1 ZINC000006077237 568992997 /nfs/dbraw/zinc/99/29/97/568992997.db2.gz WNJXRVUNERHIFR-HSZRJFAPSA-N 0 0 413.546 5.815 50 0 HKAARN CCCCn1c2ccccc2n2c1nc(-c1ccccc1)c2C(=S)Nc1ccccc1 ZINC000006078053 568993052 /nfs/dbraw/zinc/99/30/52/568993052.db2.gz WYPDHHKESDKBIK-UHFFFAOYSA-N 0 0 424.573 6.544 50 0 HKAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc(F)c(F)cc1Cl ZINC000006078360 568993021 /nfs/dbraw/zinc/99/30/21/568993021.db2.gz HTONHJBGALPMEE-UHFFFAOYSA-N 0 0 404.869 5.873 50 0 HKAARN Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 ZINC000006078633 568993236 /nfs/dbraw/zinc/99/32/36/568993236.db2.gz JKLNLJNAWRNQAE-UHFFFAOYSA-N 0 0 404.004 6.381 50 0 HKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C1CCCCC1 ZINC000006078674 568993192 /nfs/dbraw/zinc/99/31/92/568993192.db2.gz LJZMAJXCDFGRTQ-UHFFFAOYSA-N 0 0 401.938 6.535 50 0 HKAARN Fc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1Cc1ccccc1 ZINC000006078748 568993196 /nfs/dbraw/zinc/99/31/96/568993196.db2.gz VYSKIOXMATZHNU-UHFFFAOYSA-N 0 0 409.917 6.078 50 0 HKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1cc(Cl)cc(Cl)c1 ZINC000006078821 568993681 /nfs/dbraw/zinc/99/36/81/568993681.db2.gz WFHSBOPCVXDJQF-UHFFFAOYSA-N 0 0 410.351 5.218 50 0 HKAARN C[C@H]1Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N=C1c1ccc(C(C)(C)C)cc1 ZINC000006078839 568993654 /nfs/dbraw/zinc/99/36/54/568993654.db2.gz RDDCIYDSYCMEEI-MRXNPFEDSA-N 0 0 418.610 6.287 50 0 HKAARN C[C@@H]1Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N=C1c1ccc(C(C)(C)C)cc1 ZINC000006078841 568993629 /nfs/dbraw/zinc/99/36/29/568993629.db2.gz RDDCIYDSYCMEEI-INIZCTEOSA-N 0 0 418.610 6.287 50 0 HKAARN CCCC1(CCC)NC(=O)N(Cc2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000006078919 568993560 /nfs/dbraw/zinc/99/35/60/568993560.db2.gz MOQIQTAYOWPSLX-UHFFFAOYSA-N 0 0 419.319 5.100 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cc1 ZINC000006078921 568993652 /nfs/dbraw/zinc/99/36/52/568993652.db2.gz QMEAPMNDTURBFG-UHFFFAOYSA-N 0 0 400.478 5.008 50 0 HKAARN CCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1 ZINC000006078979 568993858 /nfs/dbraw/zinc/99/38/58/568993858.db2.gz IBAAZGAKUPTRTR-UHFFFAOYSA-N 0 0 405.288 5.058 50 0 HKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000006078991 568993905 /nfs/dbraw/zinc/99/39/05/568993905.db2.gz XZHFIWNIKAYONY-UHFFFAOYSA-N 0 0 409.485 5.812 50 0 HKAARN Cc1ccc(Cl)c(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC000006079090 568994036 /nfs/dbraw/zinc/99/40/36/568994036.db2.gz BFXFYEKRTDMAGO-UHFFFAOYSA-N 0 0 407.926 6.386 50 0 HKAARN COc1ccc(-c2nc(CSc3cc(Cl)ccc3Cl)cs2)cc1OC ZINC000006079379 568993173 /nfs/dbraw/zinc/99/31/73/568993173.db2.gz ZRZGXZLFYRSMOR-UHFFFAOYSA-N 0 0 412.363 6.426 50 0 HKAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)Nc1ncccc1OCc1ccccc1 ZINC000006080100 557686634 /nfs/dbraw/zinc/68/66/34/557686634.db2.gz HRBJYUXYXNAEAP-UHFFFAOYSA-N 0 0 407.473 5.876 50 0 HKAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006080375 568994012 /nfs/dbraw/zinc/99/40/12/568994012.db2.gz IVPVSYSGKZFCTK-OQAHHZTMSA-N 0 0 413.517 5.852 50 0 HKAARN O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006080378 568993990 /nfs/dbraw/zinc/99/39/90/568993990.db2.gz IVPVSYSGKZFCTK-ZZQKJMNASA-N 0 0 413.517 5.852 50 0 HKAARN Cc1ccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000006081161 568996079 /nfs/dbraw/zinc/99/60/79/568996079.db2.gz LZEHISMOHNTRMA-UHFFFAOYSA-N 0 0 406.338 5.527 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006082958 568996564 /nfs/dbraw/zinc/99/65/64/568996564.db2.gz DEGUJKNMHOAACW-UHFFFAOYSA-N 0 0 402.881 6.125 50 0 HKAARN O=C(OCc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000006082974 557016323 /nfs/dbraw/zinc/01/63/23/557016323.db2.gz IGIPQSYPBXUYMC-LEWJYISDSA-N 0 0 401.531 6.467 50 0 HKAARN O=C(OCc1cccc2ccccc21)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000006082976 568996506 /nfs/dbraw/zinc/99/65/06/568996506.db2.gz IGIPQSYPBXUYMC-SFTDATJTSA-N 0 0 401.531 6.467 50 0 HKAARN O=C(OCc1cccc2ccccc21)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000006082979 568996760 /nfs/dbraw/zinc/99/67/60/568996760.db2.gz IGIPQSYPBXUYMC-NHCUHLMSSA-N 0 0 401.531 6.467 50 0 HKAARN O=C(OCc1cccc2ccccc21)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000006082982 568996803 /nfs/dbraw/zinc/99/68/03/568996803.db2.gz IGIPQSYPBXUYMC-RTWAWAEBSA-N 0 0 401.531 6.467 50 0 HKAARN CC(C)(C)NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000006083129 568996823 /nfs/dbraw/zinc/99/68/23/568996823.db2.gz IPYMNTUAUDXIOB-UHFFFAOYSA-N 0 0 403.544 5.070 50 0 HKAARN COc1ccc(C(C)=O)c(Oc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000006083192 568996787 /nfs/dbraw/zinc/99/67/87/568996787.db2.gz KCWRMYIOWUAGMV-UHFFFAOYSA-N 0 0 410.882 6.015 50 0 HKAARN COc1cc(CCC(=O)OCc2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000006083218 568996729 /nfs/dbraw/zinc/99/67/29/568996729.db2.gz YAFPPXZYMXUSJZ-UHFFFAOYSA-N 0 0 406.478 5.055 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000006083243 568996808 /nfs/dbraw/zinc/99/68/08/568996808.db2.gz XAHPCEKTQVJLLM-UHFFFAOYSA-N 0 0 402.885 5.072 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006083280 568996738 /nfs/dbraw/zinc/99/67/38/568996738.db2.gz SKQLREQXZQLRQM-ROUUACIJSA-N 0 0 412.624 5.497 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006083284 568996769 /nfs/dbraw/zinc/99/67/69/568996769.db2.gz SKQLREQXZQLRQM-QZTJIDSGSA-N 0 0 412.624 5.497 50 0 HKAARN CC(C)N(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2)C(C)C ZINC000006083292 568996764 /nfs/dbraw/zinc/99/67/64/568996764.db2.gz OGLJHYPUJQBRSM-GOSISDBHSA-N 0 0 424.585 5.188 50 0 HKAARN CC(C)N(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2)C(C)C ZINC000006083294 568996719 /nfs/dbraw/zinc/99/67/19/568996719.db2.gz OGLJHYPUJQBRSM-SFHVURJKSA-N 0 0 424.585 5.188 50 0 HKAARN CCc1ccccc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c21 ZINC000006083627 568996026 /nfs/dbraw/zinc/99/60/26/568996026.db2.gz WWOCKYDIQFNSFF-UHFFFAOYSA-N 0 0 419.575 6.274 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000006083838 568997329 /nfs/dbraw/zinc/99/73/29/568997329.db2.gz YMXHGPOTLBNBPA-UHFFFAOYSA-N 0 0 421.500 6.174 50 0 HKAARN CCC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006083950 568997364 /nfs/dbraw/zinc/99/73/64/568997364.db2.gz XJCHXLIRWIWWIB-OAHLLOKOSA-N 0 0 410.901 5.017 50 0 HKAARN CCC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006083953 568997264 /nfs/dbraw/zinc/99/72/64/568997264.db2.gz XJCHXLIRWIWWIB-HNNXBMFYSA-N 0 0 410.901 5.017 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)cc1 ZINC000006084159 568996967 /nfs/dbraw/zinc/99/69/67/568996967.db2.gz YFZXJLOZSLSSIV-UHFFFAOYSA-N 0 0 404.469 6.316 50 0 HKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1 ZINC000006084299 568996960 /nfs/dbraw/zinc/99/69/60/568996960.db2.gz MQPWYMCDIUUKQR-UHFFFAOYSA-N 0 0 417.509 5.909 50 0 HKAARN CC(C)Oc1ccccc1/C=C1\CCn2c1nc1scc(-c3ccccc3)c1c2=O ZINC000006084397 557686639 /nfs/dbraw/zinc/68/66/39/557686639.db2.gz VMHRFIHNOZLLAL-XMHGGMMESA-N 0 0 414.530 5.857 50 0 HKAARN COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 ZINC000006084511 568997133 /nfs/dbraw/zinc/99/71/33/568997133.db2.gz KUSBBTUXIFHPAK-UHFFFAOYSA-N 0 0 407.520 5.123 50 0 HKAARN Cc1cc(C(=O)COC(=O)c2cc(C)cc(C)c2)c(C)n1CCc1ccc(F)cc1 ZINC000006084540 568997100 /nfs/dbraw/zinc/99/71/00/568997100.db2.gz SVRWQFQBVMLXGR-UHFFFAOYSA-N 0 0 407.485 5.143 50 0 HKAARN Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)C2CCCC2)cc1C ZINC000006085182 568997263 /nfs/dbraw/zinc/99/72/63/568997263.db2.gz PSWNBZBPIAMIIG-UHFFFAOYSA-N 0 0 412.382 5.744 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000006085238 557017009 /nfs/dbraw/zinc/01/70/09/557017009.db2.gz SOWAQPPDNDIUII-UHFFFAOYSA-N 0 0 419.506 5.292 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1 ZINC000006085496 568997587 /nfs/dbraw/zinc/99/75/87/568997587.db2.gz KBNFWHXUNWOWEB-UHFFFAOYSA-N 0 0 405.545 5.150 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCc1ccco1)c1ccccc1 ZINC000006086212 568998237 /nfs/dbraw/zinc/99/82/37/568998237.db2.gz AXUDJJORLXCAQP-SFHVURJKSA-N 0 0 408.807 5.421 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NCc1ccco1)c1ccccc1 ZINC000006086213 557017268 /nfs/dbraw/zinc/01/72/68/557017268.db2.gz AXUDJJORLXCAQP-GOSISDBHSA-N 0 0 408.807 5.421 50 0 HKAARN FC(F)Oc1ccc(-c2nnc3n2NC(C24CC5CC(CC(C5)C2)C4)=CS3)cc1 ZINC000006087162 568997902 /nfs/dbraw/zinc/99/79/02/568997902.db2.gz WMHZOTXZKZBRDG-UHFFFAOYSA-N 0 0 416.497 5.073 50 0 HKAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)NCC12CC3CC(CC(C3)C1)C2 ZINC000006087315 568997874 /nfs/dbraw/zinc/99/78/74/568997874.db2.gz PFPGPVYXXYWVHG-UHFFFAOYSA-N 0 0 416.587 5.374 50 0 HKAARN Cc1ccc(-c2nc(C(=O)NCCCOC(C)C)cc3c4ccccc4[nH]c32)cc1 ZINC000006088001 568998620 /nfs/dbraw/zinc/99/86/20/568998620.db2.gz IIHCJPMCSTZZAE-UHFFFAOYSA-N 0 0 401.510 5.236 50 0 biogenic HKAARN Cc1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000006088004 568998642 /nfs/dbraw/zinc/99/86/42/568998642.db2.gz DRWBBKSJQOEQRC-UHFFFAOYSA-N 0 0 405.501 5.664 50 0 biogenic HKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc(C)cc3)n2)cc1 ZINC000006088056 568998605 /nfs/dbraw/zinc/99/86/05/568998605.db2.gz UPMDYIZEYZYSAR-UHFFFAOYSA-N 0 0 421.500 5.630 50 0 biogenic HKAARN COc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCc1ccccc1C ZINC000006090058 568999195 /nfs/dbraw/zinc/99/91/95/568999195.db2.gz IXZRYZQEUORCTQ-HMAPJEAMSA-N 0 0 413.473 5.236 50 0 HKAARN Cc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006090650 569000893 /nfs/dbraw/zinc/00/08/93/569000893.db2.gz CAWAARXVFKLUMY-UHFFFAOYSA-N 0 0 419.528 6.054 50 0 biogenic HKAARN Cc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006090653 569000854 /nfs/dbraw/zinc/00/08/54/569000854.db2.gz SMMYQSJZQJESDF-UHFFFAOYSA-N 0 0 405.501 5.664 50 0 biogenic HKAARN Cc1ccccc1-c1nc(C(=O)NC[C@H](O)c2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006090655 569000900 /nfs/dbraw/zinc/00/09/00/569000900.db2.gz ONKUOGMBPYDJGU-DEOSSOPVSA-N 0 0 421.500 5.155 50 0 biogenic HKAARN Cc1ccccc1-c1nc(C(=O)NC[C@@H](O)c2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006090660 569000908 /nfs/dbraw/zinc/00/09/08/569000908.db2.gz ONKUOGMBPYDJGU-XMMPIXPASA-N 0 0 421.500 5.155 50 0 biogenic HKAARN COc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccccc3C)n2)cc1 ZINC000006090663 569000906 /nfs/dbraw/zinc/00/09/06/569000906.db2.gz SHXQUMLKACODFU-UHFFFAOYSA-N 0 0 421.500 5.630 50 0 biogenic HKAARN COc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000006091395 569000921 /nfs/dbraw/zinc/00/09/21/569000921.db2.gz LREJIJGLVXLUAB-WMZJFQQLSA-N 0 0 400.887 5.133 50 0 HKAARN O=C(/C=C/c1ccc(F)cc1)Nc1cccc(NC(=O)/C=C\c2ccc(F)cc2)c1 ZINC000006093558 569001056 /nfs/dbraw/zinc/00/10/56/569001056.db2.gz PPRDWOOXBLYGSV-DJJIWSAGSA-N 0 0 404.416 5.269 50 0 HKAARN Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)C(C)(C)C ZINC000006093768 569000969 /nfs/dbraw/zinc/00/09/69/569000969.db2.gz LZWISDBILKBAEN-UHFFFAOYSA-N 0 0 400.931 5.055 50 0 HKAARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@@H](C)c1ccccc1 ZINC000006097015 569001264 /nfs/dbraw/zinc/00/12/64/569001264.db2.gz LMWDOTPOYCCVCK-KRWDZBQOSA-N 0 0 408.571 5.007 50 0 HKAARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@H](C)c1ccccc1 ZINC000006097016 569001212 /nfs/dbraw/zinc/00/12/12/569001212.db2.gz LMWDOTPOYCCVCK-QGZVFWFLSA-N 0 0 408.571 5.007 50 0 HKAARN O=C(CSc1nnc2n1CCCCC2)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000006097019 569001132 /nfs/dbraw/zinc/00/11/32/569001132.db2.gz AMYIASIVCNGITI-UHFFFAOYSA-N 0 0 402.523 5.128 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000006097032 569001204 /nfs/dbraw/zinc/00/12/04/569001204.db2.gz OXLHTZCUGSYSBK-OAQYLSRUSA-N 0 0 406.555 5.093 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000006097033 569001148 /nfs/dbraw/zinc/00/11/48/569001148.db2.gz OXLHTZCUGSYSBK-NRFANRHFSA-N 0 0 406.555 5.093 50 0 HKAARN Cn1c2ccccc2c(C(=O)CSc2nnc3n2CCCCC3)c1-c1ccccc1 ZINC000006097172 569001428 /nfs/dbraw/zinc/00/14/28/569001428.db2.gz BKCNDWDKPNLFLM-UHFFFAOYSA-N 0 0 416.550 5.138 50 0 HKAARN CCCn1c(SCCCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCC3 ZINC000006097333 569001343 /nfs/dbraw/zinc/00/13/43/569001343.db2.gz YPHODSFNWQJHLU-UHFFFAOYSA-N 0 0 418.609 5.173 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 ZINC000006099467 569001516 /nfs/dbraw/zinc/00/15/16/569001516.db2.gz WHIKUKYXHTVTAO-SNVBAGLBSA-N 0 0 405.310 5.189 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 ZINC000006099469 569001488 /nfs/dbraw/zinc/00/14/88/569001488.db2.gz WHIKUKYXHTVTAO-JTQLQIEISA-N 0 0 405.310 5.189 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccncc2)cc1 ZINC000006106850 557687140 /nfs/dbraw/zinc/68/71/40/557687140.db2.gz DVHIKSRCBBDAFV-UHFFFAOYSA-N 0 0 402.523 5.329 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 ZINC000006106901 557687158 /nfs/dbraw/zinc/68/71/58/557687158.db2.gz SFOQNOHJZVFIEO-UHFFFAOYSA-N 0 0 402.523 5.329 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccncc2)cc1 ZINC000006106918 557687154 /nfs/dbraw/zinc/68/71/54/557687154.db2.gz ZDJGQDTXEMVABE-UHFFFAOYSA-N 0 0 402.523 5.329 50 0 HKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)nc1 ZINC000006107221 569003212 /nfs/dbraw/zinc/00/32/12/569003212.db2.gz LLWNXMNNBRZIMB-UHFFFAOYSA-N 0 0 411.889 5.174 50 0 HKAARN Cc1nnc(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1-c1ccccc1 ZINC000006109354 569003456 /nfs/dbraw/zinc/00/34/56/569003456.db2.gz OXMKTWZFKJXBHZ-UHFFFAOYSA-N 0 0 405.523 5.406 50 0 HKAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000006111255 569004924 /nfs/dbraw/zinc/00/49/24/569004924.db2.gz RFVKNQWAMFXISH-KHPPLWFESA-N 0 0 402.544 6.198 50 0 HKAARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000006111291 569004742 /nfs/dbraw/zinc/00/47/42/569004742.db2.gz PQOXYTIUTAYCKJ-SPDSTVKKSA-N 0 0 407.495 5.532 50 0 HKAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006111330 569004749 /nfs/dbraw/zinc/00/47/49/569004749.db2.gz TZZZQWHOPMVDIY-IWERZKIRSA-N 0 0 421.912 5.242 50 0 HKAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006111334 569004762 /nfs/dbraw/zinc/00/47/62/569004762.db2.gz TZZZQWHOPMVDIY-HDPALTEOSA-N 0 0 421.912 5.242 50 0 HKAARN O=C(NCCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000006111549 569004766 /nfs/dbraw/zinc/00/47/66/569004766.db2.gz FOAGZLIQMRAMQG-UHFFFAOYSA-N 0 0 405.501 5.746 50 0 biogenic HKAARN O=C(NCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000006111571 569004780 /nfs/dbraw/zinc/00/47/80/569004780.db2.gz FFWUZGLIFBNRCR-UHFFFAOYSA-N 0 0 409.464 5.495 50 0 biogenic HKAARN O=C(NCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000006111597 569004764 /nfs/dbraw/zinc/00/47/64/569004764.db2.gz YFHNHDFNLOPJDJ-UHFFFAOYSA-N 0 0 419.528 5.474 50 0 biogenic HKAARN O=C(NCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000006111601 569004730 /nfs/dbraw/zinc/00/47/30/569004730.db2.gz SCMIDZZNFRDWSH-UHFFFAOYSA-N 0 0 405.501 5.431 50 0 biogenic HKAARN S=c1[nH]nc2c3c(nc(Cc4ccccc4)n12)-c1ccccc1CC31CCCCC1 ZINC000006111870 557687146 /nfs/dbraw/zinc/68/71/46/557687146.db2.gz GJSASVBQBVWUOS-UHFFFAOYSA-N 0 0 412.562 5.429 50 0 HKAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006112040 569004812 /nfs/dbraw/zinc/00/48/12/569004812.db2.gz AYGCLNAAAZFKAV-UHFFFAOYSA-N 0 0 415.533 6.299 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2F)o1)N(Cc1ccco1)C1=CCCCC1 ZINC000006112172 569004805 /nfs/dbraw/zinc/00/48/05/569004805.db2.gz ZQCWPUGRDFTBMN-UHFFFAOYSA-N 0 0 413.474 5.048 50 0 HKAARN O=C(NCCc1ccc(F)cc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000006112278 569004840 /nfs/dbraw/zinc/00/48/40/569004840.db2.gz CIHLTCHIRVVMNH-UHFFFAOYSA-N 0 0 409.464 5.495 50 0 biogenic HKAARN O=C(NCc1ccc(F)cc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000006112664 569004936 /nfs/dbraw/zinc/00/49/36/569004936.db2.gz NTUVWIOPRCSAHX-UHFFFAOYSA-N 0 0 413.427 5.591 50 0 biogenic HKAARN O=C(NC1CCCCC1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000006112705 569004923 /nfs/dbraw/zinc/00/49/23/569004923.db2.gz YUEHPTLSSKODLR-UHFFFAOYSA-N 0 0 403.913 6.099 50 0 biogenic HKAARN Cc1sc2ncnc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)c2c1C ZINC000006113067 569004940 /nfs/dbraw/zinc/00/49/40/569004940.db2.gz TYTXVUXEXRNXAW-LBPRGKRZSA-N 0 0 415.609 5.318 50 0 HKAARN Cc1sc2ncnc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)c2c1C ZINC000006113069 569004951 /nfs/dbraw/zinc/00/49/51/569004951.db2.gz TYTXVUXEXRNXAW-GFCCVEGCSA-N 0 0 415.609 5.318 50 0 HKAARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1-c1nccs1 ZINC000006113529 569004980 /nfs/dbraw/zinc/00/49/80/569004980.db2.gz FDWKXWQMIXQPKU-UHFFFAOYSA-N 0 0 414.581 5.147 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NCc2cccs2)n1 ZINC000006114395 569004966 /nfs/dbraw/zinc/00/49/66/569004966.db2.gz FLSMCUBVKILJMS-UHFFFAOYSA-N 0 0 411.577 5.137 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(S[C@@H](C)C(=O)NCc2ccco2)n1 ZINC000006114407 569004978 /nfs/dbraw/zinc/00/49/78/569004978.db2.gz RKUVQQQZMWGRRQ-ZDUSSCGKSA-N 0 0 409.536 5.057 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(S[C@H](C)C(=O)NCc2ccco2)n1 ZINC000006114409 569005000 /nfs/dbraw/zinc/00/50/00/569005000.db2.gz RKUVQQQZMWGRRQ-CYBMUJFWSA-N 0 0 409.536 5.057 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N(C)Cc2ccco2)n1 ZINC000006114463 569004974 /nfs/dbraw/zinc/00/49/74/569004974.db2.gz CXEJCWUZKKYTIZ-UHFFFAOYSA-N 0 0 409.536 5.010 50 0 HKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CCc2ccccc2C1 ZINC000006114617 569005029 /nfs/dbraw/zinc/00/50/29/569005029.db2.gz IOLMASGQPZCVEU-UHFFFAOYSA-N 0 0 417.559 5.035 50 0 HKAARN CN(Cc1cccs1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000006114619 569005045 /nfs/dbraw/zinc/00/50/45/569005045.db2.gz DPMZYLQQCZGYOQ-UHFFFAOYSA-N 0 0 411.577 5.171 50 0 HKAARN Cc1ccc(NC(=O)[C@H](Sc2nnc3ccccn32)c2ccccc2)cc1Cl ZINC000006114715 569005042 /nfs/dbraw/zinc/00/50/42/569005042.db2.gz QKSQZVFPBADISG-LJQANCHMSA-N 0 0 408.914 5.163 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn32)c2ccccc2)cc1Cl ZINC000006114717 569005062 /nfs/dbraw/zinc/00/50/62/569005062.db2.gz QKSQZVFPBADISG-IBGZPJMESA-N 0 0 408.914 5.163 50 0 HKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1cccc(C)c1 ZINC000006115278 569005037 /nfs/dbraw/zinc/00/50/37/569005037.db2.gz PHJWBDUDSGURKK-UHFFFAOYSA-N 0 0 412.565 5.433 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2ncnc3sccc32)c2ccccc2)c1 ZINC000006115302 569005030 /nfs/dbraw/zinc/00/50/30/569005030.db2.gz HTJKQZCWAMDTOT-LJQANCHMSA-N 0 0 405.548 5.780 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2ncnc3sccc32)c2ccccc2)c1 ZINC000006115303 569005033 /nfs/dbraw/zinc/00/50/33/569005033.db2.gz HTJKQZCWAMDTOT-IBGZPJMESA-N 0 0 405.548 5.780 50 0 HKAARN COc1cccc(NC(=O)[C@H](Sc2ncnc3sccc32)c2ccccc2)c1 ZINC000006115306 569005046 /nfs/dbraw/zinc/00/50/46/569005046.db2.gz MXQUHLKYEFRODI-GOSISDBHSA-N 0 0 407.520 5.172 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Sc2ncnc3sccc32)c2ccccc2)c1 ZINC000006115307 569005043 /nfs/dbraw/zinc/00/50/43/569005043.db2.gz MXQUHLKYEFRODI-SFHVURJKSA-N 0 0 407.520 5.172 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1ncnc2sccc21)c1ccccc1 ZINC000006115327 569005031 /nfs/dbraw/zinc/00/50/31/569005031.db2.gz VDUIMZLLEYKUSW-FQEVSTJZSA-N 0 0 401.516 5.889 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1ncnc2sccc21)c1ccccc1 ZINC000006115328 569005059 /nfs/dbraw/zinc/00/50/59/569005059.db2.gz VDUIMZLLEYKUSW-HXUWFJFHSA-N 0 0 401.516 5.889 50 0 HKAARN C[C@H](Sc1ncnc2sccc21)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006115519 569005112 /nfs/dbraw/zinc/00/51/12/569005112.db2.gz JUDAJAQMQHWKLT-HNNXBMFYSA-N 0 0 405.548 5.078 50 0 HKAARN C[C@@H](Sc1ncnc2sccc21)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006115520 569005134 /nfs/dbraw/zinc/00/51/34/569005134.db2.gz JUDAJAQMQHWKLT-OAHLLOKOSA-N 0 0 405.548 5.078 50 0 HKAARN O=C(CSc1ncnc2sccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000006115667 569005077 /nfs/dbraw/zinc/00/50/77/569005077.db2.gz DJVPZTPODHGJMO-UHFFFAOYSA-N 0 0 405.548 5.012 50 0 HKAARN Cc1cc2oc(=O)cc(COC(=O)c3cc4ccccc4cc3O)c2cc1C(C)C ZINC000006122423 569009707 /nfs/dbraw/zinc/00/97/07/569009707.db2.gz JQCJRUCIPAVNJP-UHFFFAOYSA-N 0 0 402.446 5.441 50 0 HKAARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000006123939 557687269 /nfs/dbraw/zinc/68/72/69/557687269.db2.gz IJPFMXHCMWJHRK-UKILVPOCSA-N 0 0 412.489 5.278 50 0 HKAARN CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000006123948 557687129 /nfs/dbraw/zinc/68/71/29/557687129.db2.gz IJPFMXHCMWJHRK-ILBGXUMGSA-N 0 0 412.489 5.278 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 ZINC000006124464 558647179 /nfs/dbraw/zinc/64/71/79/558647179.db2.gz XPPPMBXRGZLRLW-UHFFFAOYSA-N 0 0 400.909 6.678 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000006124572 569009907 /nfs/dbraw/zinc/00/99/07/569009907.db2.gz XVKINZMQRNJOEP-UHFFFAOYSA-N 0 0 412.558 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COc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 ZINC000006161537 569015889 /nfs/dbraw/zinc/01/58/89/569015889.db2.gz WJWXYXKNOSEYKQ-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c(C)c1 ZINC000006161538 569015907 /nfs/dbraw/zinc/01/59/07/569015907.db2.gz KIISYGIEUAIEID-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1C ZINC000006161539 569015885 /nfs/dbraw/zinc/01/58/85/569015885.db2.gz QCMRGEOQFXPUPO-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000006161540 569015901 /nfs/dbraw/zinc/01/59/01/569015901.db2.gz QFQZJXFZMXJNHP-UHFFFAOYSA-N 0 0 420.365 5.654 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c(C)c1 ZINC000006161542 569015867 /nfs/dbraw/zinc/01/58/67/569015867.db2.gz JMKGLFPIQJJAQW-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000006161543 569015918 /nfs/dbraw/zinc/01/59/18/569015918.db2.gz YPLFWKCHLYASRB-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1C ZINC000006161544 569016012 /nfs/dbraw/zinc/01/60/12/569016012.db2.gz IQGKEDXXMNFMBZ-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000006161545 569015978 /nfs/dbraw/zinc/01/59/78/569015978.db2.gz GKFDKDJLSLLOER-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN COc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 ZINC000006161546 569015986 /nfs/dbraw/zinc/01/59/86/569015986.db2.gz WROBPYJHLAJOKE-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN COc1cccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c1 ZINC000006161549 569015995 /nfs/dbraw/zinc/01/59/95/569015995.db2.gz ZEGLYHQMOTZYGW-UHFFFAOYSA-N 0 0 422.337 5.100 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1C ZINC000006161552 569015991 /nfs/dbraw/zinc/01/59/91/569015991.db2.gz NYYBNJRGKZEOGC-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1C ZINC000006161553 569016003 /nfs/dbraw/zinc/01/60/03/569016003.db2.gz AXZYIILVRSVVFC-UHFFFAOYSA-N 0 0 420.365 5.708 50 0 HKAARN Cc1ccc(OCCOC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000006164504 569016133 /nfs/dbraw/zinc/01/61/33/569016133.db2.gz WTLFFWPERUUSRV-UHFFFAOYSA-N 0 0 402.446 5.556 50 0 HKAARN O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)NC1CCCC1 ZINC000006164655 569015948 /nfs/dbraw/zinc/01/59/48/569015948.db2.gz RAKCAHNXOXBJDG-UHFFFAOYSA-N 0 0 415.555 5.214 50 0 HKAARN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3Sc3ccccc3)C2=O)cc1 ZINC000006167784 569016129 /nfs/dbraw/zinc/01/61/29/569016129.db2.gz FKQZHHVBEBEYBB-RCCKNPSSSA-N 0 0 400.503 5.239 50 0 HKAARN CSc1ccc(OC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000006167828 569016157 /nfs/dbraw/zinc/01/61/57/569016157.db2.gz DYTYDMCMZJGCJW-CJLVFECKSA-N 0 0 400.503 5.540 50 0 HKAARN CC[C@@H](C)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)c1ccccc1 ZINC000006168141 569016210 /nfs/dbraw/zinc/01/62/10/569016210.db2.gz SJRYOTCOISJXTM-HXUWFJFHSA-N 0 0 420.578 5.218 50 0 HKAARN CC[C@@H](C)N(C(=O)c1ccco1)c1ccc(N(C(=O)c2ccco2)[C@@H](C)CC)cc1 ZINC000006168152 557692480 /nfs/dbraw/zinc/69/24/80/557692480.db2.gz FAHVFHYBBQZGBD-HDICACEKSA-N 0 0 408.498 5.763 50 0 HKAARN CC[C@H](C)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)c1ccccc1 ZINC000006168398 569016130 /nfs/dbraw/zinc/01/61/30/569016130.db2.gz SJRYOTCOISJXTM-FQEVSTJZSA-N 0 0 420.578 5.218 50 0 HKAARN CC[C@H](C)N(C(=O)c1ccco1)c1ccc(N(C(=O)c2ccco2)[C@@H](C)CC)cc1 ZINC000006168407 557692481 /nfs/dbraw/zinc/69/24/81/557692481.db2.gz FAHVFHYBBQZGBD-ROUUACIJSA-N 0 0 408.498 5.763 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000006168900 557692615 /nfs/dbraw/zinc/69/26/15/557692615.db2.gz QQRACWBXLAFVOP-UHFFFAOYSA-N 0 0 414.509 5.331 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000006168945 557692676 /nfs/dbraw/zinc/69/26/76/557692676.db2.gz XLYFLBHTKOSTOL-UHFFFAOYSA-N 0 0 420.896 6.037 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 ZINC000006168946 557692628 /nfs/dbraw/zinc/69/26/28/557692628.db2.gz AUHALXQYJJORJK-UHFFFAOYSA-N 0 0 406.869 5.728 50 0 HKAARN CC(C)(C)c1ccc(COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000006169458 557692602 /nfs/dbraw/zinc/69/26/02/557692602.db2.gz LPOLQXXVOAVOEO-UHFFFAOYSA-N 0 0 400.474 6.042 50 0 biogenic HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000006170658 557692704 /nfs/dbraw/zinc/69/27/04/557692704.db2.gz COGJEFJNNADOQB-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CCc2ccccc21 ZINC000006170936 569016892 /nfs/dbraw/zinc/01/68/92/569016892.db2.gz AINFVEIMGRQWFT-UHFFFAOYSA-N 0 0 403.532 5.040 50 0 HKAARN CC[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C)cc1 ZINC000006172305 569016888 /nfs/dbraw/zinc/01/68/88/569016888.db2.gz AZWQQBIQGUJTFO-KRWDZBQOSA-N 0 0 401.919 5.058 50 0 HKAARN CC[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C)cc1 ZINC000006172306 559077720 /nfs/dbraw/zinc/07/77/20/559077720.db2.gz AZWQQBIQGUJTFO-QGZVFWFLSA-N 0 0 401.919 5.058 50 0 HKAARN CCN(CC)C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 ZINC000006173188 559077987 /nfs/dbraw/zinc/07/79/87/559077987.db2.gz HFIQFDZGIFLGGH-NKFKGCMQSA-N 0 0 421.487 6.364 50 0 HKAARN CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000006173190 557692647 /nfs/dbraw/zinc/69/26/47/557692647.db2.gz QPQBJGGSNUIWNT-QINSGFPZSA-N 0 0 424.342 5.183 50 0 HKAARN Cc1ccc(-c2nc(C(=O)NC3CCCCCCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173647 569016945 /nfs/dbraw/zinc/01/69/45/569016945.db2.gz WKOKZAGVTCIJDH-UHFFFAOYSA-N 0 0 411.549 6.534 50 0 biogenic HKAARN Cc1ccc(-c2nc(C(=O)NCCC3=CCCCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173654 569016938 /nfs/dbraw/zinc/01/69/38/569016938.db2.gz HSNXEMNNALKXIN-UHFFFAOYSA-N 0 0 409.533 6.312 50 0 biogenic HKAARN Cc1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173659 569016913 /nfs/dbraw/zinc/01/69/13/569016913.db2.gz XEHGDJBUDNEFRK-UHFFFAOYSA-N 0 0 419.528 6.054 50 0 biogenic HKAARN Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173661 569016901 /nfs/dbraw/zinc/01/69/01/569016901.db2.gz LFAMORDHUKNYRK-DEOSSOPVSA-N 0 0 421.500 5.155 50 0 biogenic HKAARN Cc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173663 569016907 /nfs/dbraw/zinc/01/69/07/569016907.db2.gz LFAMORDHUKNYRK-XMMPIXPASA-N 0 0 421.500 5.155 50 0 biogenic HKAARN COc1ccccc1CNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2C)n1 ZINC000006174297 569016931 /nfs/dbraw/zinc/01/69/31/569016931.db2.gz ABRMZPSQMSFTBB-UHFFFAOYSA-N 0 0 421.500 5.630 50 0 biogenic HKAARN COc1cccc(C2=Nn3c(nnc3-c3sc4ccccc4c3Cl)SC2)c1 ZINC000006174710 569017107 /nfs/dbraw/zinc/01/71/07/569017107.db2.gz WWKSUGSCHZMREW-UHFFFAOYSA-N 0 0 412.927 5.180 50 0 HKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1c3cccc4cccc(c34)[C@@H]12 ZINC000006175984 557692878 /nfs/dbraw/zinc/69/28/78/557692878.db2.gz YZJNINMFAVGVBQ-UOPKXQBNSA-N 0 0 412.532 7.241 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000006177507 559081084 /nfs/dbraw/zinc/08/10/84/559081084.db2.gz IUMVTSXCKJIELM-CCEZHUSRSA-N 0 0 412.898 5.005 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2n[nH]c(-c3ccccc3)n2)c2ccccc2)c1 ZINC000006178292 569017530 /nfs/dbraw/zinc/01/75/30/569017530.db2.gz SUVBTDTWUFIPBC-OAQYLSRUSA-N 0 0 414.534 5.561 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2n[nH]c(-c3ccccc3)n2)c2ccccc2)c1 ZINC000006178296 569017572 /nfs/dbraw/zinc/01/75/72/569017572.db2.gz SUVBTDTWUFIPBC-NRFANRHFSA-N 0 0 414.534 5.561 50 0 HKAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006178609 569017583 /nfs/dbraw/zinc/01/75/83/569017583.db2.gz CDJDMYBRFPHCBD-INIZCTEOSA-N 0 0 400.507 5.258 50 0 HKAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006178613 569017568 /nfs/dbraw/zinc/01/75/68/569017568.db2.gz CDJDMYBRFPHCBD-MRXNPFEDSA-N 0 0 400.507 5.258 50 0 HKAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2ccccc2c1 ZINC000006181570 557693056 /nfs/dbraw/zinc/69/30/56/557693056.db2.gz BENYGQIDZPTZKT-UHFFFAOYSA-N 0 0 405.504 5.017 50 0 HKAARN COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(F)cc2)c(OC)c1 ZINC000006181686 569028464 /nfs/dbraw/zinc/02/84/64/569028464.db2.gz QGELUXLLIRRIAE-UHFFFAOYSA-N 0 0 410.514 5.242 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc4ccccc4c3)c2)cc1 ZINC000006181820 569028468 /nfs/dbraw/zinc/02/84/68/569028468.db2.gz JBHHNDYEEJODNY-UHFFFAOYSA-N 0 0 421.927 7.898 50 0 HKAARN COc1ccc(C(=O)n2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 ZINC000006181844 569028487 /nfs/dbraw/zinc/02/84/87/569028487.db2.gz PLTPMZNHUAUZBF-UHFFFAOYSA-N 0 0 418.880 5.480 50 0 HKAARN COc1ccc(Cl)cc1C1N=NC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000006181974 557693039 /nfs/dbraw/zinc/69/30/39/557693039.db2.gz ABXLFGKDZJURFL-UHFFFAOYSA-N 0 0 409.898 5.677 50 0 HKAARN COc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)CCc2ccccc2)cc1 ZINC000006181992 569028446 /nfs/dbraw/zinc/02/84/46/569028446.db2.gz GGTFHMXARVXZBA-UHFFFAOYSA-N 0 0 408.885 5.172 50 0 HKAARN COc1ccc2nc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)sc2c1 ZINC000006181993 569028452 /nfs/dbraw/zinc/02/84/52/569028452.db2.gz HMLIRRFWNWWENS-UHFFFAOYSA-N 0 0 412.474 5.167 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000006182058 569279688 /nfs/dbraw/zinc/27/96/88/569279688.db2.gz UZMDSMZHXIQDKE-AHKZPQOWSA-N 0 0 406.485 6.091 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000006182070 569279672 /nfs/dbraw/zinc/27/96/72/569279672.db2.gz UZMDSMZHXIQDKE-BDYUSTAISA-N 0 0 406.485 6.091 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1OC ZINC000006182297 557693266 /nfs/dbraw/zinc/69/32/66/557693266.db2.gz WGKVWYHQRCSHQT-MZNJEOGPSA-N 0 0 403.503 5.680 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1OC ZINC000006182300 557693243 /nfs/dbraw/zinc/69/32/43/557693243.db2.gz WGKVWYHQRCSHQT-BXKMTCNYSA-N 0 0 403.503 5.680 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1OC ZINC000006182307 557693256 /nfs/dbraw/zinc/69/32/56/557693256.db2.gz WGKVWYHQRCSHQT-OSPHWJPCSA-N 0 0 403.503 5.680 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1OC ZINC000006182310 557693258 /nfs/dbraw/zinc/69/32/58/557693258.db2.gz WGKVWYHQRCSHQT-XDHUDOTRSA-N 0 0 403.503 5.680 50 0 HKAARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000006183263 569329750 /nfs/dbraw/zinc/32/97/50/569329750.db2.gz FODHMRRHZAVFBM-TUMJYMDDSA-N 0 0 408.582 6.070 50 0 HKAARN O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(C2CCCCC2)cc1 ZINC000006183789 557693282 /nfs/dbraw/zinc/69/32/82/557693282.db2.gz QYAJTWBVEWKXNQ-UHFFFAOYSA-N 0 0 401.915 5.704 50 0 HKAARN Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000006184284 557693423 /nfs/dbraw/zinc/69/34/23/557693423.db2.gz ZHHRVEWDQUMMEY-UHFFFAOYSA-N 0 0 407.322 5.677 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006184314 569029043 /nfs/dbraw/zinc/02/90/43/569029043.db2.gz HCFSYXAHIPFZNS-UHFFFAOYSA-N 0 0 411.977 5.747 50 0 HKAARN Cc1c(Cl)cccc1NCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000006184710 557693499 /nfs/dbraw/zinc/69/34/99/557693499.db2.gz LZSKMSXPJYFGGG-UHFFFAOYSA-N 0 0 401.897 5.931 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)cc1 ZINC000006185548 569029199 /nfs/dbraw/zinc/02/91/99/569029199.db2.gz HKEQLUOUYCFJPN-UHFFFAOYSA-N 0 0 403.301 5.142 50 0 HKAARN CC(C)(C)C1CCC(C(=O)OCC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)CC1 ZINC000006186713 569029479 /nfs/dbraw/zinc/02/94/79/569029479.db2.gz GHEVWEJQPHOMRY-UHFFFAOYSA-N 0 0 422.606 5.347 50 0 HKAARN CC(C)(C)c1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000006186879 569029468 /nfs/dbraw/zinc/02/94/68/569029468.db2.gz PDBRILXUDWJNEB-UHFFFAOYSA-N 0 0 418.518 5.306 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OC(=O)Cc3c(Cl)cccc3Cl)c2n1 ZINC000006187144 569029460 /nfs/dbraw/zinc/02/94/60/569029460.db2.gz RMDKAPYPOYGIEQ-UHFFFAOYSA-N 0 0 415.103 6.305 50 0 HKAARN CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(C)c2c1 ZINC000006187311 569029474 /nfs/dbraw/zinc/02/94/74/569029474.db2.gz AIMYRLXVAOYQLA-IBGZPJMESA-N 0 0 423.538 5.240 50 0 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CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000006204023 557693965 /nfs/dbraw/zinc/69/39/65/557693965.db2.gz CPDQODMFPKUZTQ-UHFFFAOYSA-N 0 0 418.472 5.299 50 0 HKAARN CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000006204566 569032725 /nfs/dbraw/zinc/03/27/25/569032725.db2.gz RRKIPLPVZSLTJI-UHFFFAOYSA-N 0 0 412.711 5.461 50 0 HKAARN Cc1ccc2c(CSc3nnc(Nc4ccccc4F)s3)cc(=O)oc2c1C ZINC000006206896 569033092 /nfs/dbraw/zinc/03/30/92/569033092.db2.gz SHHIYIQRIPPHBQ-UHFFFAOYSA-N 0 0 413.499 5.436 50 0 HKAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000006207188 569033054 /nfs/dbraw/zinc/03/30/54/569033054.db2.gz LZQGIAQUHAZGMC-SANMLTNESA-N 0 0 423.516 6.226 50 0 HKAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000006207191 569033104 /nfs/dbraw/zinc/03/31/04/569033104.db2.gz LZQGIAQUHAZGMC-AREMUKBSSA-N 0 0 423.516 6.226 50 0 HKAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000006207507 569033049 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MRJBBNRSAAZWNP-UHFFFAOYSA-N 0 0 409.313 5.310 50 0 HKAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccs2)cc1 ZINC000006615570 569074543 /nfs/dbraw/zinc/07/45/43/569074543.db2.gz CKCQCMJWKHWVLJ-UHFFFAOYSA-N 0 0 406.511 5.198 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000006615588 569074529 /nfs/dbraw/zinc/07/45/29/569074529.db2.gz CTUQOUHLVLUVFS-UHFFFAOYSA-N 0 0 400.547 5.976 50 0 HKAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000006615819 557710438 /nfs/dbraw/zinc/71/04/38/557710438.db2.gz AJMNZGCCVJDWMI-VAWYXSNFSA-N 0 0 405.504 5.083 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(O)[C@H](O)C[C@H]2CCCC[C@@]21C ZINC000006615916 557710449 /nfs/dbraw/zinc/71/04/49/557710449.db2.gz OXXQSPWNBIFGEP-DQWDWBGKSA-N 0 0 404.679 6.584 50 0 HKAARN O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006615994 569074722 /nfs/dbraw/zinc/07/47/22/569074722.db2.gz ISIUKTOOZLFXPR-UHFFFAOYSA-N 0 0 415.496 6.140 50 0 HKAARN c1ccc(Oc2ccc(Nc3cc(-c4cccc(-c5ccccc5)c4)ncn3)cc2)cc1 ZINC000006616250 569074672 /nfs/dbraw/zinc/07/46/72/569074672.db2.gz YMBHYCOIVXUBEJ-UHFFFAOYSA-N 0 0 415.496 7.347 50 0 HKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000006616283 557710652 /nfs/dbraw/zinc/71/06/52/557710652.db2.gz UCAOMCKATFHTOX-UHFFFAOYSA-N 0 0 416.590 5.677 50 0 HKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000006616870 569074767 /nfs/dbraw/zinc/07/47/67/569074767.db2.gz UPPIYYPBWCUFLS-CQSZACIVSA-N 0 0 415.918 5.376 50 0 HKAARN COc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 ZINC000006617009 557710693 /nfs/dbraw/zinc/71/06/93/557710693.db2.gz PSXBMCBPTJDNNK-UHFFFAOYSA-N 0 0 416.477 5.888 50 0 HKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc(C)cc2C)cc1 ZINC000006618003 569074751 /nfs/dbraw/zinc/07/47/51/569074751.db2.gz KFULSHDBTUMFJZ-UHFFFAOYSA-N 0 0 416.546 6.016 50 0 HKAARN O[C@@]1(c2ccccc2)[C@H](c2ccccc2)C[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000006618316 557710677 /nfs/dbraw/zinc/71/06/77/557710677.db2.gz FTSXSXLOHBZBNZ-XFTNXAEASA-N 0 0 406.525 5.733 50 0 HKAARN O[C@@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000006618381 557710630 /nfs/dbraw/zinc/71/06/30/557710630.db2.gz FTSXSXLOHBZBNZ-QPDVFSJASA-N 0 0 406.525 5.733 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(-c2ccccc2)cc1 ZINC000006618483 569074768 /nfs/dbraw/zinc/07/47/68/569074768.db2.gz IKZKQMDUMIVKFA-UHFFFAOYSA-N 0 0 415.493 5.678 50 0 HKAARN CCOc1ccccc1OCCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000006618676 569074828 /nfs/dbraw/zinc/07/48/28/569074828.db2.gz LDYYWZDOFQRRAA-UHFFFAOYSA-N 0 0 418.465 5.285 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000006619941 569074880 /nfs/dbraw/zinc/07/48/80/569074880.db2.gz JCHGWXHIPHEKOX-UHFFFAOYSA-N 0 0 412.584 5.446 50 0 HKAARN CCc1cccc2c(C(=O)CSc3nnc(Nc4ccccc4F)s3)c[nH]c21 ZINC000006620011 569074914 /nfs/dbraw/zinc/07/49/14/569074914.db2.gz KWBOAYDOURYVCQ-UHFFFAOYSA-N 0 0 412.515 5.440 50 0 HKAARN Nc1cccc(-c2nc3cc(-c4ccc5[nH]c(-c6cccc(N)c6)nc5c4)ccc3[nH]2)c1 ZINC000006622482 557710714 /nfs/dbraw/zinc/71/07/14/557710714.db2.gz QROWVLFOWUYBIG-UHFFFAOYSA-N 0 0 416.488 5.605 50 0 HKAARN C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000006622882 569075015 /nfs/dbraw/zinc/07/50/15/569075015.db2.gz LWLSDPUQZXVTJN-ZDUSSCGKSA-N 0 0 401.532 5.135 50 0 HKAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000006623115 569075025 /nfs/dbraw/zinc/07/50/25/569075025.db2.gz LWLSDPUQZXVTJN-CYBMUJFWSA-N 0 0 401.532 5.135 50 0 HKAARN Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)c(Br)c1 ZINC000006623618 569075159 /nfs/dbraw/zinc/07/51/59/569075159.db2.gz TWNUBEUOVATXGX-UHFFFAOYSA-N 0 0 401.329 5.345 50 0 HKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3Cl)s2)c1C ZINC000006623636 569075171 /nfs/dbraw/zinc/07/51/71/569075171.db2.gz ZMAAENBEBCLASV-UHFFFAOYSA-N 0 0 404.948 5.283 50 0 HKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)s2)c1 ZINC000006623646 569075144 /nfs/dbraw/zinc/07/51/44/569075144.db2.gz LSRNWVPZFKLGGA-UHFFFAOYSA-N 0 0 412.584 5.753 50 0 HKAARN COc1ccc(C)cc1NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000006623842 569075312 /nfs/dbraw/zinc/07/53/12/569075312.db2.gz ZMORJPKSJKPXDQ-UHFFFAOYSA-N 0 0 419.477 5.271 50 0 biogenic HKAARN COc1ccc(C)cc1NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000006623906 569075347 /nfs/dbraw/zinc/07/53/47/569075347.db2.gz ILMBNGUMVDTXGP-UHFFFAOYSA-N 0 0 405.450 5.044 50 0 biogenic HKAARN CC(=O)c1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000006623911 569075382 /nfs/dbraw/zinc/07/53/82/569075382.db2.gz GWOOBKPYSIISKS-UHFFFAOYSA-N 0 0 417.461 5.238 50 0 biogenic HKAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000006623924 569075392 /nfs/dbraw/zinc/07/53/92/569075392.db2.gz AYTKYJFBBLHRBC-UHFFFAOYSA-N 0 0 417.461 5.157 50 0 biogenic HKAARN CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000006623926 569075398 /nfs/dbraw/zinc/07/53/98/569075398.db2.gz YQILVRSVSYEFAU-UHFFFAOYSA-N 0 0 417.461 5.238 50 0 biogenic HKAARN COc1cc(-c2ccc(OCC(=O)c3ccc(C)o3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000006624093 569075476 /nfs/dbraw/zinc/07/54/76/569075476.db2.gz QMIXNUCXXYUHSS-UHFFFAOYSA-N 0 0 418.445 5.249 50 0 biogenic HKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1 ZINC000006624099 569075475 /nfs/dbraw/zinc/07/54/75/569075475.db2.gz UWNGXVXHVFDYTQ-DHCKTRPCSA-N 0 0 424.544 5.464 50 0 biogenic HKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1 ZINC000006624100 569075478 /nfs/dbraw/zinc/07/54/78/569075478.db2.gz UWNGXVXHVFDYTQ-VWTQUNACSA-N 0 0 424.544 5.464 50 0 biogenic HKAARN CSc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccccc3)c2)cc1 ZINC000006624188 569075460 /nfs/dbraw/zinc/07/54/60/569075460.db2.gz LEMZFEXWOBGGKV-UHFFFAOYSA-N 0 0 416.498 6.018 50 0 biogenic HKAARN CSc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccco3)c2)cc1 ZINC000006624267 569075517 /nfs/dbraw/zinc/07/55/17/569075517.db2.gz VFWSUYAWAVIKSG-UHFFFAOYSA-N 0 0 406.459 5.611 50 0 biogenic HKAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000006624359 569075555 /nfs/dbraw/zinc/07/55/55/569075555.db2.gz LBCXRFZEYZWXLT-UHFFFAOYSA-N 0 0 417.461 5.157 50 0 biogenic HKAARN COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cn1 ZINC000006625916 557711055 /nfs/dbraw/zinc/71/10/55/557711055.db2.gz CCAIZEFJGDVDAT-ZDUSSCGKSA-N 0 0 411.299 5.075 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 ZINC000006626543 557711144 /nfs/dbraw/zinc/71/11/44/557711144.db2.gz OGBHLOGDMMFIRO-UHFFFAOYSA-N 0 0 407.857 5.178 50 0 HKAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000006626668 569075928 /nfs/dbraw/zinc/07/59/28/569075928.db2.gz PHSFDJGSQUZHTK-UHFFFAOYSA-N 0 0 414.486 5.516 50 0 HKAARN CN(Cc1ccc(F)cc1)c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000006627007 568456654 /nfs/dbraw/zinc/45/66/54/568456654.db2.gz SCFYQNDFRMFHBW-UHFFFAOYSA-N 0 0 404.514 5.408 50 0 HKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000006627293 569076062 /nfs/dbraw/zinc/07/60/62/569076062.db2.gz SXIJLHQIBREYFI-UHFFFAOYSA-N 0 0 405.401 5.040 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000006627309 557711122 /nfs/dbraw/zinc/71/11/22/557711122.db2.gz ALLSAELSGPDFBB-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000006628604 569076193 /nfs/dbraw/zinc/07/61/93/569076193.db2.gz ATBYFVTWYSTZSY-OAQYLSRUSA-N 0 0 401.554 5.836 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000006628605 569076173 /nfs/dbraw/zinc/07/61/73/569076173.db2.gz ATBYFVTWYSTZSY-NRFANRHFSA-N 0 0 401.554 5.836 50 0 HKAARN O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccccc1Br ZINC000006628863 569076146 /nfs/dbraw/zinc/07/61/46/569076146.db2.gz RKMCLGUXWNQWPY-UHFFFAOYSA-N 0 0 406.283 5.099 50 0 HKAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)c(C)c1 ZINC000006629933 560744601 /nfs/dbraw/zinc/74/46/01/560744601.db2.gz KJTLMIQPCPYPFU-UHFFFAOYSA-N 0 0 421.566 5.130 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1OC ZINC000006633848 560744744 /nfs/dbraw/zinc/74/47/44/560744744.db2.gz ODZJLQVUAMRHHO-UHFFFAOYSA-N 0 0 416.477 5.888 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000006635653 557711449 /nfs/dbraw/zinc/71/14/49/557711449.db2.gz IVJVSPINXDCMDI-UHFFFAOYSA-N 0 0 420.900 5.505 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000006635730 557711532 /nfs/dbraw/zinc/71/15/32/557711532.db2.gz QKPWTHHQGFEQLS-UHFFFAOYSA-N 0 0 420.900 5.505 50 0 HKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 ZINC000006635996 557711515 /nfs/dbraw/zinc/71/15/15/557711515.db2.gz VSUIBVYGVQODHK-VAWYXSNFSA-N 0 0 420.900 5.661 50 0 HKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4)cc3n2)cc1 ZINC000006636002 557711542 /nfs/dbraw/zinc/71/15/42/557711542.db2.gz XNBNDTMEQZSYEN-UHFFFAOYSA-N 0 0 404.901 5.669 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 ZINC000006636271 557711519 /nfs/dbraw/zinc/71/15/19/557711519.db2.gz WTBZPZLURWQVJG-UHFFFAOYSA-N 0 0 414.509 5.332 50 0 HKAARN CCCOc1ccc(-c2cc(C(=O)N(C)C)c3cc(Br)ccc3n2)cc1 ZINC000006636290 569076542 /nfs/dbraw/zinc/07/65/42/569076542.db2.gz JVGJFCWHPYHYQR-UHFFFAOYSA-N 0 0 413.315 5.155 50 0 HKAARN CCCc1sc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1Br ZINC000006636435 569076443 /nfs/dbraw/zinc/07/64/43/569076443.db2.gz IRKOPTFFQOHFFF-UHFFFAOYSA-N 0 0 406.389 5.558 50 0 HKAARN CCn1cc(-c2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cn1 ZINC000006637247 569076693 /nfs/dbraw/zinc/07/66/93/569076693.db2.gz CJOPKGIBYDPGAC-UHFFFAOYSA-N 0 0 414.553 5.064 50 0 HKAARN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000006637687 569076856 /nfs/dbraw/zinc/07/68/56/569076856.db2.gz PQPSXKFXVYTWPU-UHFFFAOYSA-N 0 0 416.590 5.731 50 0 HKAARN O=C(c1ccco1)N(c1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 ZINC000006638649 569077302 /nfs/dbraw/zinc/07/73/02/569077302.db2.gz RPCIGKSJTTXDTN-UHFFFAOYSA-N 0 0 412.470 6.660 50 0 HKAARN 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YAEZGKXNOBKSOD-UHFFFAOYSA-N 0 0 415.603 5.097 50 0 HKAARN O=C(C1CCCC1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696251 569091814 /nfs/dbraw/zinc/09/18/14/569091814.db2.gz APTVJBOSFRXENV-FQEVSTJZSA-N 0 0 414.908 5.191 50 0 HKAARN O=C(C1CCCC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696252 569091859 /nfs/dbraw/zinc/09/18/59/569091859.db2.gz APTVJBOSFRXENV-HXUWFJFHSA-N 0 0 414.908 5.191 50 0 HKAARN CC(C)NC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696259 569091785 /nfs/dbraw/zinc/09/17/85/569091785.db2.gz RQGRUFFNMYDZQN-SFHVURJKSA-N 0 0 420.340 5.107 50 0 HKAARN CC(C)NC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696260 569091786 /nfs/dbraw/zinc/09/17/86/569091786.db2.gz RQGRUFFNMYDZQN-GOSISDBHSA-N 0 0 420.340 5.107 50 0 HKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)c2cccs2)C1 ZINC000006696261 569091795 /nfs/dbraw/zinc/09/17/95/569091795.db2.gz VDNZMSPHDAMGBL-SFHVURJKSA-N 0 0 408.498 5.031 50 0 HKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)c2cccs2)C1 ZINC000006696262 569091845 /nfs/dbraw/zinc/09/18/45/569091845.db2.gz VDNZMSPHDAMGBL-GOSISDBHSA-N 0 0 408.498 5.031 50 0 HKAARN O=C(C1CCCC1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696273 569091856 /nfs/dbraw/zinc/09/18/56/569091856.db2.gz KAEUSYAKVRXBFW-NRFANRHFSA-N 0 0 414.908 5.191 50 0 HKAARN O=C(C1CCCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696274 569091837 /nfs/dbraw/zinc/09/18/37/569091837.db2.gz KAEUSYAKVRXBFW-OAQYLSRUSA-N 0 0 414.908 5.191 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@H](C)CC ZINC000006696502 569091970 /nfs/dbraw/zinc/09/19/70/569091970.db2.gz NTDJUGAPBQKWHL-GOSISDBHSA-N 0 0 417.638 5.691 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@@H](C)CC ZINC000006696503 569091961 /nfs/dbraw/zinc/09/19/61/569091961.db2.gz NTDJUGAPBQKWHL-SFHVURJKSA-N 0 0 417.638 5.691 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@H](C)CC ZINC000006696504 569091985 /nfs/dbraw/zinc/09/19/85/569091985.db2.gz WYBFODZBKWIHFI-GOSISDBHSA-N 0 0 415.622 5.445 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@@H](C)CC ZINC000006696505 569091950 /nfs/dbraw/zinc/09/19/50/569091950.db2.gz WYBFODZBKWIHFI-SFHVURJKSA-N 0 0 415.622 5.445 50 0 HKAARN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccs1 ZINC000006700695 557715905 /nfs/dbraw/zinc/71/59/05/557715905.db2.gz HNTVYGOGWWOEGR-UHFFFAOYSA-N 0 0 412.927 5.072 50 0 HKAARN Cc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2Cl)n1 ZINC000006700957 557716166 /nfs/dbraw/zinc/71/61/66/557716166.db2.gz UWXOWBJOZDZRHP-UHFFFAOYSA-N 0 0 400.265 5.201 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006704144 569094428 /nfs/dbraw/zinc/09/44/28/569094428.db2.gz MCFAHTHBOZYUKG-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006704145 569094434 /nfs/dbraw/zinc/09/44/34/569094434.db2.gz MCFAHTHBOZYUKG-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000006704164 569094426 /nfs/dbraw/zinc/09/44/26/569094426.db2.gz IXYZAFDLELIRNV-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)c(F)c3)c2)cc1 ZINC000006704165 569094409 /nfs/dbraw/zinc/09/44/09/569094409.db2.gz IXYZAFDLELIRNV-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)c1C ZINC000006704166 569094412 /nfs/dbraw/zinc/09/44/12/569094412.db2.gz YXRYJSSMZIAIHG-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)c1C ZINC000006704168 569094493 /nfs/dbraw/zinc/09/44/93/569094493.db2.gz YXRYJSSMZIAIHG-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000006704199 569094471 /nfs/dbraw/zinc/09/44/71/569094471.db2.gz SWOOYUOFSPRODH-RUZDIDTESA-N 0 0 416.546 5.588 50 0 HKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000006704201 569094489 /nfs/dbraw/zinc/09/44/89/569094489.db2.gz SWOOYUOFSPRODH-VWLOTQADSA-N 0 0 416.546 5.588 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000006704218 569094456 /nfs/dbraw/zinc/09/44/56/569094456.db2.gz VPOAIIXNGTYAPQ-RUZDIDTESA-N 0 0 416.546 5.643 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000006704220 569094454 /nfs/dbraw/zinc/09/44/54/569094454.db2.gz VPOAIIXNGTYAPQ-VWLOTQADSA-N 0 0 416.546 5.643 50 0 HKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000006704233 569094432 /nfs/dbraw/zinc/09/44/32/569094432.db2.gz ZTNFRAKYHCIPCA-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000006704234 569094448 /nfs/dbraw/zinc/09/44/48/569094448.db2.gz ZTNFRAKYHCIPCA-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN CCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC ZINC000006704307 569094439 /nfs/dbraw/zinc/09/44/39/569094439.db2.gz VAKXRZCAFBCCBL-HSZRJFAPSA-N 0 0 412.555 5.383 50 0 HKAARN CCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000006704309 569094421 /nfs/dbraw/zinc/09/44/21/569094421.db2.gz VAKXRZCAFBCCBL-QHCPKHFHSA-N 0 0 412.555 5.383 50 0 HKAARN Cn1cc([C@@H](CC(=O)NCCc2ccccc2)c2cccc(F)c2)c2ccccc21 ZINC000006704374 569094538 /nfs/dbraw/zinc/09/45/38/569094538.db2.gz YTJUCCXCVJHRNM-QHCPKHFHSA-N 0 0 400.497 5.198 50 0 HKAARN Cn1cc([C@H](CC(=O)NCCc2ccccc2)c2cccc(F)c2)c2ccccc21 ZINC000006704376 569094539 /nfs/dbraw/zinc/09/45/39/569094539.db2.gz YTJUCCXCVJHRNM-HSZRJFAPSA-N 0 0 400.497 5.198 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000006704378 569094532 /nfs/dbraw/zinc/09/45/32/569094532.db2.gz VCPMJWAFXNGIQU-VWLOTQADSA-N 0 0 422.594 6.107 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000006704379 569094514 /nfs/dbraw/zinc/09/45/14/569094514.db2.gz VCPMJWAFXNGIQU-RUZDIDTESA-N 0 0 422.594 6.107 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000006704384 569094570 /nfs/dbraw/zinc/09/45/70/569094570.db2.gz NSZQFNHBAXEOTG-LLVKDONJSA-N 0 0 418.415 6.292 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000006704385 569094583 /nfs/dbraw/zinc/09/45/83/569094583.db2.gz NSZQFNHBAXEOTG-NSHDSACASA-N 0 0 418.415 6.292 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000006704392 569094529 /nfs/dbraw/zinc/09/45/29/569094529.db2.gz QLAWOHWXURXEGZ-QHCPKHFHSA-N 0 0 410.583 5.963 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000006704393 569094512 /nfs/dbraw/zinc/09/45/12/569094512.db2.gz QLAWOHWXURXEGZ-HSZRJFAPSA-N 0 0 410.583 5.963 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)cc3)cc2)cc1 ZINC000006704473 569094511 /nfs/dbraw/zinc/09/45/11/569094511.db2.gz DXQIJMASFGXMRL-XMMPIXPASA-N 0 0 402.519 5.334 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)cc2)cc1 ZINC000006704474 568457875 /nfs/dbraw/zinc/45/78/75/568457875.db2.gz DXQIJMASFGXMRL-DEOSSOPVSA-N 0 0 402.519 5.334 50 0 HKAARN CC1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000006704487 569094522 /nfs/dbraw/zinc/09/45/22/569094522.db2.gz LLWRULCFGVJSFZ-FQEVSTJZSA-N 0 0 414.471 5.967 50 0 HKAARN CC1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000006704488 569094515 /nfs/dbraw/zinc/09/45/15/569094515.db2.gz LLWRULCFGVJSFZ-HXUWFJFHSA-N 0 0 414.471 5.967 50 0 HKAARN COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000006704498 569094579 /nfs/dbraw/zinc/09/45/79/569094579.db2.gz FGHQQNXXCDFIQG-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN COc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000006704500 569094527 /nfs/dbraw/zinc/09/45/27/569094527.db2.gz FGHQQNXXCDFIQG-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN CC(C)CCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000006704556 569094575 /nfs/dbraw/zinc/09/45/75/569094575.db2.gz PVWHBASXSLZPPR-FQEVSTJZSA-N 0 0 416.487 5.881 50 0 HKAARN CC(C)CCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000006704558 569094562 /nfs/dbraw/zinc/09/45/62/569094562.db2.gz PVWHBASXSLZPPR-HXUWFJFHSA-N 0 0 416.487 5.881 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000006704584 569094553 /nfs/dbraw/zinc/09/45/53/569094553.db2.gz MXERDCWXCYKCIP-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000006704585 569094552 /nfs/dbraw/zinc/09/45/52/569094552.db2.gz MXERDCWXCYKCIP-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1 ZINC000006704596 569094581 /nfs/dbraw/zinc/09/45/81/569094581.db2.gz SFRWQBCLTMFNMF-RUZDIDTESA-N 0 0 416.546 5.643 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1 ZINC000006704597 569094510 /nfs/dbraw/zinc/09/45/10/569094510.db2.gz SFRWQBCLTMFNMF-VWLOTQADSA-N 0 0 416.546 5.643 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)cc1F ZINC000006704610 569094523 /nfs/dbraw/zinc/09/45/23/569094523.db2.gz XGEUXRVMLITJDY-NRFANRHFSA-N 0 0 400.519 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ZINC000006704624 569094572 /nfs/dbraw/zinc/09/45/72/569094572.db2.gz FBCMFISSZJAPBU-QFIPXVFZSA-N 0 0 402.925 5.670 50 0 HKAARN Cn1cc([C@H](CC(=O)NCc2ccccc2)c2ccc(Cl)cc2)c2ccccc21 ZINC000006704626 569094525 /nfs/dbraw/zinc/09/45/25/569094525.db2.gz FBCMFISSZJAPBU-JOCHJYFZSA-N 0 0 402.925 5.670 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 ZINC000006704659 569094508 /nfs/dbraw/zinc/09/45/08/569094508.db2.gz BROOSYYGVYOSBR-NRFANRHFSA-N 0 0 400.519 5.287 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 ZINC000006704660 569094550 /nfs/dbraw/zinc/09/45/50/569094550.db2.gz BROOSYYGVYOSBR-OAQYLSRUSA-N 0 0 400.519 5.287 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000006704701 569094609 /nfs/dbraw/zinc/09/46/09/569094609.db2.gz WPECBIVLYOVJAG-DEOSSOPVSA-N 0 0 420.509 5.419 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000006704702 569094663 /nfs/dbraw/zinc/09/46/63/569094663.db2.gz 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/nfs/dbraw/zinc/09/49/21/569094921.db2.gz QFTDGWSAXPURFS-KBMIEXCESA-N 0 0 424.610 6.237 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006705161 569094906 /nfs/dbraw/zinc/09/49/06/569094906.db2.gz QFTDGWSAXPURFS-UQBPGWFLSA-N 0 0 424.610 6.237 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006705162 568457943 /nfs/dbraw/zinc/45/79/43/568457943.db2.gz QFTDGWSAXPURFS-CLOONOSVSA-N 0 0 424.610 6.237 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006705163 569094883 /nfs/dbraw/zinc/09/48/83/569094883.db2.gz QFTDGWSAXPURFS-DFBJGRDBSA-N 0 0 424.610 6.237 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000006705221 569094878 /nfs/dbraw/zinc/09/48/78/569094878.db2.gz VMSWSKDEVAOXCE-VWLOTQADSA-N 0 0 422.594 6.107 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000006705222 569094866 /nfs/dbraw/zinc/09/48/66/569094866.db2.gz VMSWSKDEVAOXCE-RUZDIDTESA-N 0 0 422.594 6.107 50 0 HKAARN COc1cccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3)cc2)c1 ZINC000006705234 569094904 /nfs/dbraw/zinc/09/49/04/569094904.db2.gz WIZBNGWWNNUQKA-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1cccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(C)c3)cc2)c1 ZINC000006705235 569095009 /nfs/dbraw/zinc/09/50/09/569095009.db2.gz WIZBNGWWNNUQKA-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN CCCCCCNC(=O)c1cc2c(cccc2OCC)n1CCCc1ccccc1 ZINC000006705278 569095011 /nfs/dbraw/zinc/09/50/11/569095011.db2.gz HEGPDIXHXAFWEJ-UHFFFAOYSA-N 0 0 406.570 5.983 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006705317 569094980 /nfs/dbraw/zinc/09/49/80/569094980.db2.gz FWRCBUHZZDISJO-WAIKUNEKSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006705318 569094982 /nfs/dbraw/zinc/09/49/82/569094982.db2.gz FWRCBUHZZDISJO-QMHKHESXSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006705319 569095044 /nfs/dbraw/zinc/09/50/44/569095044.db2.gz FWRCBUHZZDISJO-MWTRTKDXSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000006705320 569095001 /nfs/dbraw/zinc/09/50/01/569095001.db2.gz FWRCBUHZZDISJO-HJPURHCSSA-N 0 0 414.546 5.759 50 0 HKAARN CCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(Cl)c(Cl)c1 ZINC000006705339 569095025 /nfs/dbraw/zinc/09/50/25/569095025.db2.gz VYDMGGCOVLSWQA-SFHVURJKSA-N 0 0 417.380 6.475 50 0 HKAARN CCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(Cl)c(Cl)c1 ZINC000006705340 569095031 /nfs/dbraw/zinc/09/50/31/569095031.db2.gz VYDMGGCOVLSWQA-GOSISDBHSA-N 0 0 417.380 6.475 50 0 HKAARN CCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000006705358 569094996 /nfs/dbraw/zinc/09/49/96/569094996.db2.gz XRKANOLUZWITLM-FQEVSTJZSA-N 0 0 408.542 5.186 50 0 HKAARN CCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000006705359 569095055 /nfs/dbraw/zinc/09/50/55/569095055.db2.gz 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Cc1cccc(-c2nc3ccccc3c(N3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000006720559 569098258 /nfs/dbraw/zinc/09/82/58/569098258.db2.gz HEHUWRAGNCRISV-UHFFFAOYSA-N 0 0 414.940 5.585 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000006720563 569098325 /nfs/dbraw/zinc/09/83/25/569098325.db2.gz RTXYNKPNOPKJKP-UHFFFAOYSA-N 0 0 414.940 5.585 50 0 HKAARN Fc1ccc(CNc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)cc1 ZINC000006720585 569098313 /nfs/dbraw/zinc/09/83/13/569098313.db2.gz MQIQYDUGIJVEQG-UHFFFAOYSA-N 0 0 403.526 5.912 50 0 HKAARN Clc1ccccc1CNc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000006720586 569098293 /nfs/dbraw/zinc/09/82/93/569098293.db2.gz ZRZMWGTXBQEOBY-UHFFFAOYSA-N 0 0 419.981 6.426 50 0 HKAARN CCCC1CCC(c2ccc(OC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2)CC1 ZINC000006720587 569098269 /nfs/dbraw/zinc/09/82/69/569098269.db2.gz ZKPUQVWVAGIOKO-UHFFFAOYSA-N 0 0 424.566 5.597 50 0 HKAARN Clc1ccc(CNc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)cc1 ZINC000006720588 569098299 /nfs/dbraw/zinc/09/82/99/569098299.db2.gz 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557717305 /nfs/dbraw/zinc/71/73/05/557717305.db2.gz KRGWBRZNDKMHHA-UHFFFAOYSA-N 0 0 421.588 7.020 50 0 HKAARN CCc1cccc2c(C(C(=O)c3ccccc3)c3c[nH]c4c3cccc4CC)c[nH]c21 ZINC000006721032 557717331 /nfs/dbraw/zinc/71/73/31/557717331.db2.gz PIKBESHEAIJNMC-UHFFFAOYSA-N 0 0 406.529 6.789 50 0 HKAARN COc1ccc(-c2cc(C)nc3c(-c4ccccc4)c(COc4ccccc4)nn32)cc1 ZINC000006721165 569099030 /nfs/dbraw/zinc/09/90/30/569099030.db2.gz BUIAGHDRNDUQHQ-UHFFFAOYSA-N 0 0 421.500 5.959 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000006721207 569099033 /nfs/dbraw/zinc/09/90/33/569099033.db2.gz LSAVYSHQZNZNIP-UHFFFAOYSA-N 0 0 406.555 5.084 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c(C)c1 ZINC000006721227 132313659 /nfs/dbraw/zinc/31/36/59/132313659.db2.gz XULYVDQLKGGOJO-UHFFFAOYSA-N 0 0 420.582 5.276 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000006721228 132313648 /nfs/dbraw/zinc/31/36/48/132313648.db2.gz MBPBVVDUSVSFPU-UHFFFAOYSA-N 0 0 420.582 5.474 50 0 HKAARN 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CCC(CC)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722405 569099634 /nfs/dbraw/zinc/09/96/34/569099634.db2.gz SMCSRRYJZHUZOB-GOSISDBHSA-N 0 0 403.611 5.156 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006722421 569099578 /nfs/dbraw/zinc/09/95/78/569099578.db2.gz WKDIRFYAUWFQBH-IBGZPJMESA-N 0 0 423.601 5.627 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000006722422 569099649 /nfs/dbraw/zinc/09/96/49/569099649.db2.gz WKDIRFYAUWFQBH-LJQANCHMSA-N 0 0 423.601 5.627 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@@H](C)C(C)C)c1 ZINC000006722427 569099640 /nfs/dbraw/zinc/09/96/40/569099640.db2.gz ABVKXISEDUEGIA-IBGZPJMESA-N 0 0 409.574 5.096 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@H](C)C(C)C)c1 ZINC000006722428 569099652 /nfs/dbraw/zinc/09/96/52/569099652.db2.gz ABVKXISEDUEGIA-LJQANCHMSA-N 0 0 409.574 5.096 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)[C@@H](CC)c2ccccc2)c1 ZINC000006722431 569099630 /nfs/dbraw/zinc/09/96/30/569099630.db2.gz KPOCTOFZLILTBR-QHCPKHFHSA-N 0 0 421.585 5.034 50 0 HKAARN CCC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)[C@H](CC)c2ccccc2)c1 ZINC000006722432 569099650 /nfs/dbraw/zinc/09/96/50/569099650.db2.gz KPOCTOFZLILTBR-HSZRJFAPSA-N 0 0 421.585 5.034 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)CC1CC1 ZINC000006722435 569099580 /nfs/dbraw/zinc/09/95/80/569099580.db2.gz KBWZEHOJLMJJAA-UHFFFAOYSA-N 0 0 415.622 5.302 50 0 HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)CC1CC1 ZINC000006722436 569099603 /nfs/dbraw/zinc/09/96/03/569099603.db2.gz XWRSSQWZACVOCW-UHFFFAOYSA-N 0 0 413.606 5.056 50 0 HKAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)C1CC1)C1CCCCC1 ZINC000006722477 569099596 /nfs/dbraw/zinc/09/95/96/569099596.db2.gz KHMZIXGLPRYNFH-UHFFFAOYSA-N 0 0 413.606 5.199 50 0 HKAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722501 569099607 /nfs/dbraw/zinc/09/96/07/569099607.db2.gz 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568458676 /nfs/dbraw/zinc/45/86/76/568458676.db2.gz VOKDDORCKUXNHI-VWLOTQADSA-N 0 0 416.546 5.588 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000006734589 569104292 /nfs/dbraw/zinc/10/42/92/569104292.db2.gz VOKDDORCKUXNHI-RUZDIDTESA-N 0 0 416.546 5.588 50 0 HKAARN COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000006734599 569104312 /nfs/dbraw/zinc/10/43/12/569104312.db2.gz JHRTYAQYNJLJNU-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000006734601 569104293 /nfs/dbraw/zinc/10/42/93/569104293.db2.gz JHRTYAQYNJLJNU-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000006734610 569104271 /nfs/dbraw/zinc/10/42/71/569104271.db2.gz XCMNHNNKXLBRIJ-VWLOTQADSA-N 0 0 416.546 5.670 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000006734611 569104284 /nfs/dbraw/zinc/10/42/84/569104284.db2.gz XCMNHNNKXLBRIJ-RUZDIDTESA-N 0 0 416.546 5.670 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CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000006739446 569105976 /nfs/dbraw/zinc/10/59/76/569105976.db2.gz HIQDZYQZLOOQEO-RUZDIDTESA-N 0 0 416.546 5.841 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C2CCCC2)c1 ZINC000006739453 569106004 /nfs/dbraw/zinc/10/60/04/569106004.db2.gz IJFWWQIFVXDFTE-DEOSSOPVSA-N 0 0 408.567 5.546 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C2CCCC2)c1 ZINC000006739454 569106030 /nfs/dbraw/zinc/10/60/30/569106030.db2.gz IJFWWQIFVXDFTE-XMMPIXPASA-N 0 0 408.567 5.546 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000006739470 569105996 /nfs/dbraw/zinc/10/59/96/569105996.db2.gz FUFWXPMLFXGIFB-DEOSSOPVSA-N 0 0 402.519 5.280 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000006739471 569106036 /nfs/dbraw/zinc/10/60/36/569106036.db2.gz FUFWXPMLFXGIFB-XMMPIXPASA-N 0 0 402.519 5.280 50 0 HKAARN CCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000006739639 569106116 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406.482 5.165 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 ZINC000006739934 569106673 /nfs/dbraw/zinc/10/66/73/569106673.db2.gz DDUOQISIUJOJGO-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000006739941 569106640 /nfs/dbraw/zinc/10/66/40/569106640.db2.gz DXEDWSDKNAHPFV-NRFANRHFSA-N 0 0 400.519 5.287 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000006739942 569106660 /nfs/dbraw/zinc/10/66/60/569106660.db2.gz DXEDWSDKNAHPFV-OAQYLSRUSA-N 0 0 400.519 5.287 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000006739945 569106605 /nfs/dbraw/zinc/10/66/05/569106605.db2.gz MDXXJXOECBNGLH-DEOSSOPVSA-N 0 0 402.519 5.280 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000006739946 569106609 /nfs/dbraw/zinc/10/66/09/569106609.db2.gz MDXXJXOECBNGLH-XMMPIXPASA-N 0 0 402.519 5.280 50 0 HKAARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)n2C2CCCCC2)c1 ZINC000006739949 569106617 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CCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000006740556 569106581 /nfs/dbraw/zinc/10/65/81/569106581.db2.gz AWNSMEOAJHZVFL-FQEVSTJZSA-N 0 0 416.487 6.187 50 0 HKAARN CCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc(C(F)(F)F)c1 ZINC000006740557 569106580 /nfs/dbraw/zinc/10/65/80/569106580.db2.gz AWNSMEOAJHZVFL-HXUWFJFHSA-N 0 0 416.487 6.187 50 0 HKAARN CC(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000006740558 569106536 /nfs/dbraw/zinc/10/65/36/569106536.db2.gz JIWJZFZIERXELK-KRWDZBQOSA-N 0 0 403.353 6.159 50 0 HKAARN CC(C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000006740559 569106534 /nfs/dbraw/zinc/10/65/34/569106534.db2.gz JIWJZFZIERXELK-QGZVFWFLSA-N 0 0 403.353 6.159 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1 ZINC000006740585 569106563 /nfs/dbraw/zinc/10/65/63/569106563.db2.gz IHBPMNURUWJKKO-XMMPIXPASA-N 0 0 410.583 5.991 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1 ZINC000006740586 569106525 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CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000006740675 569106607 /nfs/dbraw/zinc/10/66/07/569106607.db2.gz OBFYVCOYTASNEG-JOCHJYFZSA-N 0 0 408.548 5.341 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000006740676 569106625 /nfs/dbraw/zinc/10/66/25/569106625.db2.gz CJMMNYGZJBYQTN-VWLOTQADSA-N 0 0 416.546 5.209 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000006740677 569106743 /nfs/dbraw/zinc/10/67/43/569106743.db2.gz CJMMNYGZJBYQTN-RUZDIDTESA-N 0 0 416.546 5.209 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000006740686 569106702 /nfs/dbraw/zinc/10/67/02/569106702.db2.gz STEQGDLIEIMSKH-XMMPIXPASA-N 0 0 402.519 5.334 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)c2)cc1 ZINC000006740687 569106722 /nfs/dbraw/zinc/10/67/22/569106722.db2.gz STEQGDLIEIMSKH-DEOSSOPVSA-N 0 0 402.519 5.334 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000006740696 569106680 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C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc2S1 ZINC000006751751 132314986 /nfs/dbraw/zinc/31/49/86/132314986.db2.gz UPLYUBJPBJHIAV-KRWDZBQOSA-N 0 0 417.534 5.149 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ccccc43)cc2)c1 ZINC000006751752 132315007 /nfs/dbraw/zinc/31/50/07/132315007.db2.gz NZLWUDNGVUEQKJ-UHFFFAOYSA-N 0 0 417.534 5.069 50 0 aggregator HKAARN O=C(c1cc2c(s1)-c1ccccc1SC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000006751979 132314973 /nfs/dbraw/zinc/31/49/73/132314973.db2.gz ZQUVGQWPZHTHJH-UHFFFAOYSA-N 0 0 410.539 5.122 50 0 HKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3SC4)C[C@@H]2C)cc1 ZINC000006751983 132315008 /nfs/dbraw/zinc/31/50/08/132315008.db2.gz JQWLDVADKBWKSS-KRWDZBQOSA-N 0 0 420.603 5.680 50 0 HKAARN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3SC4)C[C@H]2C)cc1 ZINC000006751984 132314991 /nfs/dbraw/zinc/31/49/91/132314991.db2.gz JQWLDVADKBWKSS-QGZVFWFLSA-N 0 0 420.603 5.680 50 0 HKAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1cc(Cl)ccc1OC ZINC000006751996 569110733 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CCc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)cc1 ZINC000006752229 569110183 /nfs/dbraw/zinc/11/01/83/569110183.db2.gz VKDKHDIOTSXUOG-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)c1 ZINC000006752230 569110175 /nfs/dbraw/zinc/11/01/75/569110175.db2.gz WEVFDGWZFSMVPZ-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)c(C)c1 ZINC000006752235 569110195 /nfs/dbraw/zinc/11/01/95/569110195.db2.gz SJLKADPRJDGKQN-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)cc1C ZINC000006752236 569110189 /nfs/dbraw/zinc/11/01/89/569110189.db2.gz XJAFDNLDRNWWIP-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN CCc1cccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)c1 ZINC000006752237 569110217 /nfs/dbraw/zinc/11/02/17/569110217.db2.gz QVDIWWURXOSJFL-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN CCc1ccccc1NC(=O)Cn1c2cnccc2nc1SCc1cccc(F)c1 ZINC000006752239 569110225 /nfs/dbraw/zinc/11/02/25/569110225.db2.gz 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/nfs/dbraw/zinc/11/02/12/569110212.db2.gz DAJGSEWTGCSOFX-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)N(C)c2ccccc2)c1 ZINC000006752261 569110337 /nfs/dbraw/zinc/11/03/37/569110337.db2.gz SSLIQMMUYOINGI-UHFFFAOYSA-N 0 0 416.550 5.003 50 0 HKAARN COc1cccc(CSc2nc3ccncc3n2Cc2c(F)cccc2Cl)c1 ZINC000006752276 569110268 /nfs/dbraw/zinc/11/02/68/569110268.db2.gz XPZFWAKGAHCOCE-UHFFFAOYSA-N 0 0 413.905 5.573 50 0 HKAARN COc1cccc(CSc2nc3ccncc3n2Cc2c(C)cc(C)cc2C)c1 ZINC000006752277 569110285 /nfs/dbraw/zinc/11/02/85/569110285.db2.gz MESBZOVAUZSPRM-UHFFFAOYSA-N 0 0 403.551 5.706 50 0 HKAARN COc1ccc(CSc2nc3ccncc3n2Cc2c(F)cccc2Cl)cc1 ZINC000006752291 569110307 /nfs/dbraw/zinc/11/03/07/569110307.db2.gz HTAMEQUXPBBIDG-UHFFFAOYSA-N 0 0 413.905 5.573 50 0 HKAARN COc1ccc(CSc2nc3ccncc3n2Cc2c(C)cc(C)cc2C)cc1 ZINC000006752292 569110317 /nfs/dbraw/zinc/11/03/17/569110317.db2.gz NTPFFMIPIKHULQ-UHFFFAOYSA-N 0 0 403.551 5.706 50 0 HKAARN CCc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2F)cc1 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Cc1c2c(n(Cc3cccc(C)c3)c1C(=O)Nc1ccc3c(c1)OCO3)CCCC2 ZINC000006774996 569118444 /nfs/dbraw/zinc/11/84/44/569118444.db2.gz HSQOAHUPRHIJJM-UHFFFAOYSA-N 0 0 402.494 5.013 50 0 HKAARN C[C@H](Nc1nc(-c2cccc(Br)c2)nc2ccccc21)c1ccccc1 ZINC000006775062 569118560 /nfs/dbraw/zinc/11/85/60/569118560.db2.gz WNSVUGUPEJWZNU-HNNXBMFYSA-N 0 0 404.311 6.232 50 0 HKAARN C[C@@H](Nc1nc(-c2cccc(Br)c2)nc2ccccc21)c1ccccc1 ZINC000006775064 569118523 /nfs/dbraw/zinc/11/85/23/569118523.db2.gz WNSVUGUPEJWZNU-OAHLLOKOSA-N 0 0 404.311 6.232 50 0 HKAARN Brc1cccc(-c2nc3ccccc3c(NCCc3ccccc3)n2)c1 ZINC000006775068 569118559 /nfs/dbraw/zinc/11/85/59/569118559.db2.gz ZGIFOACJCGSAEY-UHFFFAOYSA-N 0 0 404.311 5.714 50 0 HKAARN CCOc1nc(-c2ccccc2C)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000006775098 569118537 /nfs/dbraw/zinc/11/85/37/569118537.db2.gz XCCQXJUOUOZSFT-UHFFFAOYSA-N 0 0 412.493 5.202 50 0 HKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCC(C)C)Cc2ccccc2)n1 ZINC000006775103 569118545 /nfs/dbraw/zinc/11/85/45/569118545.db2.gz MZSUIOURJUHPNR-UHFFFAOYSA-N 0 0 424.976 5.015 50 0 HKAARN CC(C)NC(=O)CCN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000006775110 569118410 /nfs/dbraw/zinc/11/84/10/569118410.db2.gz YZINNWGQNJARHU-UHFFFAOYSA-N 0 0 424.548 5.218 50 0 HKAARN CC(C)CN(CCC(=O)Nc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000006775162 569118838 /nfs/dbraw/zinc/11/88/38/569118838.db2.gz HKTLUTAMKUUQFW-UHFFFAOYSA-N 0 0 414.509 5.381 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccco3)c2)cc1 ZINC000006775172 569118881 /nfs/dbraw/zinc/11/88/81/569118881.db2.gz JJAPIEWZMXKUDN-UHFFFAOYSA-N 0 0 416.481 5.123 50 0 HKAARN CCCN(CCC(=O)NCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000006775265 557720566 /nfs/dbraw/zinc/72/05/66/557720566.db2.gz JVDVAXDWRCGIHJ-UHFFFAOYSA-N 0 0 422.960 5.084 50 0 HKAARN CC[C@@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2cccs2)nc2ccccc21 ZINC000006775268 569118870 /nfs/dbraw/zinc/11/88/70/569118870.db2.gz NBVDUKYCWYPFHB-QGZVFWFLSA-N 0 0 410.587 5.126 50 0 HKAARN CC[C@H](C)NC(=O)CCN(CC(C)C)c1nc(-c2cccs2)nc2ccccc21 ZINC000006775269 569118824 /nfs/dbraw/zinc/11/88/24/569118824.db2.gz NBVDUKYCWYPFHB-KRWDZBQOSA-N 0 0 410.587 5.126 50 0 HKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NCc2ccccc2)CC(C)C)n1 ZINC000006775325 569118950 /nfs/dbraw/zinc/11/89/50/569118950.db2.gz QEAHVDJGBZLRBW-UHFFFAOYSA-N 0 0 424.976 5.015 50 0 HKAARN CCCN(CCC(=O)Nc1ccc(F)cc1)c1nc(CC)nc2cc(Cl)ccc21 ZINC000006775335 569118947 /nfs/dbraw/zinc/11/89/47/569118947.db2.gz PNJUXSYMIGCGPZ-UHFFFAOYSA-N 0 0 414.912 5.230 50 0 HKAARN CCCN(CCC(=O)Nc1cccc(F)c1)c1nc(CC)nc2cc(Cl)ccc21 ZINC000006775338 557720521 /nfs/dbraw/zinc/72/05/21/557720521.db2.gz KXJPRXCLSUHTAE-UHFFFAOYSA-N 0 0 414.912 5.230 50 0 HKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@@H](C)CC)Cc2ccccc2)n1 ZINC000006775339 522485903 /nfs/dbraw/zinc/48/59/03/522485903.db2.gz DSTMXHNGOHHPTE-KRWDZBQOSA-N 0 0 424.976 5.157 50 0 HKAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@H](C)CC)Cc2ccccc2)n1 ZINC000006775340 522487836 /nfs/dbraw/zinc/48/78/36/522487836.db2.gz DSTMXHNGOHHPTE-QGZVFWFLSA-N 0 0 424.976 5.157 50 0 HKAARN CC(C)N(CCC(=O)NCc1ccccc1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000006775369 569118937 /nfs/dbraw/zinc/11/89/37/569118937.db2.gz WPPHOLHDKZFYRQ-UHFFFAOYSA-N 0 0 422.960 5.082 50 0 HKAARN COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000006775966 569118997 /nfs/dbraw/zinc/11/89/97/569118997.db2.gz ATXUWHOYALSZRG-UHFFFAOYSA-N 0 0 417.444 5.034 50 0 HKAARN CCC(=O)Nc1cccc(-n2nc(OC(C)C)nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000006775968 569118939 /nfs/dbraw/zinc/11/89/39/569118939.db2.gz WYYYIQJKOBCVHY-UHFFFAOYSA-N 0 0 418.419 5.089 50 0 HKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000006775969 569119001 /nfs/dbraw/zinc/11/90/01/569119001.db2.gz QKSMXPKCEVIFGH-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000006776012 569118961 /nfs/dbraw/zinc/11/89/61/569118961.db2.gz BJNXUAURZXWGRK-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000006776013 569118981 /nfs/dbraw/zinc/11/89/81/569118981.db2.gz WJAUCOWJARWRPP-UHFFFAOYSA-N 0 0 412.493 5.202 50 0 HKAARN CCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000006776014 569118959 /nfs/dbraw/zinc/11/89/59/569118959.db2.gz ILFNDVYTLHNALT-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-n3nc(OC(C)C)nc3-c3cccs3)c2)cc1 ZINC000006776024 569118993 /nfs/dbraw/zinc/11/89/93/569118993.db2.gz NDDCNOFNDXISGU-UHFFFAOYSA-N 0 0 418.522 5.344 50 0 HKAARN CCOc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000006776200 569119062 /nfs/dbraw/zinc/11/90/62/569119062.db2.gz WGRTXIOLZGYXBV-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000006776210 569119049 /nfs/dbraw/zinc/11/90/49/569119049.db2.gz ZVQVVQIZTLXYOW-UHFFFAOYSA-N 0 0 404.514 5.016 50 0 HKAARN CCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000006776281 569119035 /nfs/dbraw/zinc/11/90/35/569119035.db2.gz CXLDMHDBCJLRIX-UHFFFAOYSA-N 0 0 419.312 5.377 50 0 HKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006776293 569119080 /nfs/dbraw/zinc/11/90/80/569119080.db2.gz MSRFPNWAIQWHFC-UHFFFAOYSA-N 0 0 410.493 5.093 50 0 HKAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000006776605 569119241 /nfs/dbraw/zinc/11/92/41/569119241.db2.gz ATYDZZOREXEPJN-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000006776619 568459244 /nfs/dbraw/zinc/45/92/44/568459244.db2.gz YKLYRXDSGZVOAV-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN CCOc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000006776623 569119148 /nfs/dbraw/zinc/11/91/48/569119148.db2.gz BEAVEEGTESQCMK-UHFFFAOYSA-N 0 0 416.456 5.033 50 0 HKAARN CC(C)Oc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000006776682 569118713 /nfs/dbraw/zinc/11/87/13/569118713.db2.gz VWDSQNIYCSSOQG-UHFFFAOYSA-N 0 0 410.493 5.235 50 0 HKAARN CCc1c(C)c(C(=O)NCc2ccc(F)cc2)n(Cc2ccc(F)c(F)c2)c1C ZINC000006776704 569118727 /nfs/dbraw/zinc/11/87/27/569118727.db2.gz MQRGGXHRKQEMEX-UHFFFAOYSA-N 0 0 400.444 5.063 50 0 HKAARN COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006776722 569118760 /nfs/dbraw/zinc/11/87/60/569118760.db2.gz ZWSSKKGFKWZRIQ-UHFFFAOYSA-N 0 0 419.312 5.234 50 0 HKAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000006776724 569118737 /nfs/dbraw/zinc/11/87/37/569118737.db2.gz JWUJFULACXWHSO-UHFFFAOYSA-N 0 0 424.520 5.483 50 0 HKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3)cc2)c1 ZINC000006778350 569118821 /nfs/dbraw/zinc/11/88/21/569118821.db2.gz GHLPMCZOZIHPBF-SFHVURJKSA-N 0 0 404.535 5.212 50 0 HKAARN CCN(C(=O)Cc1cc2ccccc2[nH]1)C1(C(=O)Nc2cccc(C)c2)CCCCC1 ZINC000006779340 569119365 /nfs/dbraw/zinc/11/93/65/569119365.db2.gz IMLAJYGCWZHOEE-UHFFFAOYSA-N 0 0 417.553 5.209 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(C45CC6CC(CC(C6)C4)C5)ccc3oc2=O)cc1 ZINC000006779965 569119997 /nfs/dbraw/zinc/11/99/97/569119997.db2.gz BAPQXUBYEHJRIO-UHFFFAOYSA-N 0 0 413.517 5.822 50 0 HKAARN O=C(NCc1ccccc1)c1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O ZINC000006779966 569119950 /nfs/dbraw/zinc/11/99/50/569119950.db2.gz GMTVSGHWJYPUNO-UHFFFAOYSA-N 0 0 413.517 5.191 50 0 HKAARN Cc1cc2nc(-c3cc4cc(C56CC7CC(CC(C7)C5)C6)ccc4oc3=O)[nH]c2cc1C ZINC000006779972 569120027 /nfs/dbraw/zinc/12/00/27/569120027.db2.gz AAYUCFHGPYFWKV-UHFFFAOYSA-N 0 0 424.544 6.421 50 0 HKAARN CCN(CC)c1ccc(NC(=O)[C@@H]2[C@H](C)C(=O)OC23CCC(C(C)C)CC3)c(C)c1 ZINC000006780266 569119476 /nfs/dbraw/zinc/11/94/76/569119476.db2.gz ARMACFQQRDCXHD-WCSNZGMESA-N 0 0 414.590 5.174 50 0 biogenic HKAARN CCN(CC)c1ccc(NC(=O)[C@H]2[C@H](C)C(=O)OC23CCC(C(C)C)CC3)c(C)c1 ZINC000006780267 569119484 /nfs/dbraw/zinc/11/94/84/569119484.db2.gz ARMACFQQRDCXHD-RPRWGBDBSA-N 0 0 414.590 5.174 50 0 biogenic HKAARN CCN(CC)c1ccc(NC(=O)[C@@H]2[C@@H](C)C(=O)OC23CCC(C(C)C)CC3)c(C)c1 ZINC000006780269 569119495 /nfs/dbraw/zinc/11/94/95/569119495.db2.gz ARMACFQQRDCXHD-YYJJIUDWSA-N 0 0 414.590 5.174 50 0 biogenic HKAARN CCN(CC)c1ccc(NC(=O)[C@H]2[C@@H](C)C(=O)OC23CCC(C(C)C)CC3)c(C)c1 ZINC000006780272 569119485 /nfs/dbraw/zinc/11/94/85/569119485.db2.gz ARMACFQQRDCXHD-FUCHTJKPSA-N 0 0 414.590 5.174 50 0 biogenic HKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCCc1ccc(Cl)cc1)c2-n1cccc1 ZINC000006780451 569119743 /nfs/dbraw/zinc/11/97/43/569119743.db2.gz SSMKHHOQCMVVRN-UHFFFAOYSA-N 0 0 409.942 5.330 50 0 HKAARN CCOc1ccccc1CNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780550 569119650 /nfs/dbraw/zinc/11/96/50/569119650.db2.gz GOCCLXUZJPGEMY-UHFFFAOYSA-N 0 0 405.523 5.033 50 0 HKAARN CCCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 ZINC000006780555 569119666 /nfs/dbraw/zinc/11/96/66/569119666.db2.gz DYCWKLVZQITRHO-UHFFFAOYSA-N 0 0 419.550 5.423 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccc(OC(C)C)cc1)c2-n1cccc1 ZINC000006780558 569119698 /nfs/dbraw/zinc/11/96/98/569119698.db2.gz POFBYWITTOJEQN-UHFFFAOYSA-N 0 0 419.550 5.421 50 0 HKAARN CCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 ZINC000006780562 569119652 /nfs/dbraw/zinc/11/96/52/569119652.db2.gz OAXPXVNFKSPKHV-UHFFFAOYSA-N 0 0 405.523 5.033 50 0 HKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1ccccn1)c2Sc1ccc(Cl)cc1 ZINC000006780642 569119856 /nfs/dbraw/zinc/11/98/56/569119856.db2.gz DLZGLLARDNASEL-UHFFFAOYSA-N 0 0 407.926 5.606 50 0 HKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1cccnc1)c2Sc1ccc(Cl)cc1 ZINC000006780644 569119848 /nfs/dbraw/zinc/11/98/48/569119848.db2.gz CDGRQDTZBIQMGW-UHFFFAOYSA-N 0 0 407.926 5.606 50 0 HKAARN COc1ccccc1Nc1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000006780814 569120374 /nfs/dbraw/zinc/12/03/74/569120374.db2.gz OAEVWDHTBNWOIJ-UHFFFAOYSA-N 0 0 415.880 6.109 50 0 HKAARN COc1cccc(Nc2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)c1 ZINC000006780816 569120388 /nfs/dbraw/zinc/12/03/88/569120388.db2.gz OTAVNZGALVXJER-UHFFFAOYSA-N 0 0 415.880 6.109 50 0 HKAARN CCc1ccccc1Nc1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000006780824 569120358 /nfs/dbraw/zinc/12/03/58/569120358.db2.gz GANUCCINNFGXIG-UHFFFAOYSA-N 0 0 413.908 6.662 50 0 HKAARN COc1ccc(Nc2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000006780826 569120393 /nfs/dbraw/zinc/12/03/93/569120393.db2.gz XIPCUPKBEPRPQF-UHFFFAOYSA-N 0 0 415.880 6.109 50 0 HKAARN Cc1cc(C)cc(Nc2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)c1 ZINC000006780828 569120416 /nfs/dbraw/zinc/12/04/16/569120416.db2.gz UWQONTIYMNQLSE-UHFFFAOYSA-N 0 0 413.908 6.717 50 0 HKAARN Cc1c(NC(=O)CSCc2ccccc2)cccc1-c1nc2cccnc2s1 ZINC000006781378 569120427 /nfs/dbraw/zinc/12/04/27/569120427.db2.gz KXLDUFSEAGCFKF-UHFFFAOYSA-N 0 0 405.548 5.539 50 0 HKAARN CCCCC1CCC(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)CC1 ZINC000006781392 569120350 /nfs/dbraw/zinc/12/03/50/569120350.db2.gz GZMHUDNKFZDHII-UHFFFAOYSA-N 0 0 407.583 6.602 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C ZINC000006781405 569120425 /nfs/dbraw/zinc/12/04/25/569120425.db2.gz WPXMMRYIAXRUSN-UHFFFAOYSA-N 0 0 409.898 5.581 50 0 HKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CSCc1ccccc1 ZINC000006781407 569120371 /nfs/dbraw/zinc/12/03/71/569120371.db2.gz 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/nfs/dbraw/zinc/12/20/93/569122093.db2.gz WRKHJSSVTNYPLE-KBPBESRZSA-N 0 0 416.547 5.087 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)c1 ZINC000006787343 569122072 /nfs/dbraw/zinc/12/20/72/569122072.db2.gz WRKHJSSVTNYPLE-UONOGXRCSA-N 0 0 416.547 5.087 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 ZINC000006787344 569122073 /nfs/dbraw/zinc/12/20/73/569122073.db2.gz WRKHJSSVTNYPLE-KGLIPLIRSA-N 0 0 416.547 5.087 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 ZINC000006787345 569122117 /nfs/dbraw/zinc/12/21/17/569122117.db2.gz WRKHJSSVTNYPLE-ZIAGYGMSSA-N 0 0 416.547 5.087 50 0 HKAARN CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)c3ccccc3Cl)c2c1C ZINC000006787441 569122115 /nfs/dbraw/zinc/12/21/15/569122115.db2.gz XECFQPBVIQNCDQ-NSHDSACASA-N 0 0 406.960 5.992 50 0 HKAARN CCOC(=O)c1sc2nc(C)nc(S[C@H](C)c3ccccc3Cl)c2c1C ZINC000006787442 569122090 /nfs/dbraw/zinc/12/20/90/569122090.db2.gz XECFQPBVIQNCDQ-LLVKDONJSA-N 0 0 406.960 5.992 50 0 HKAARN Clc1cccc(Cl)c1OCCSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000006787559 569122087 /nfs/dbraw/zinc/12/20/87/569122087.db2.gz UPKKTVSBXZLDAI-UHFFFAOYSA-N 0 0 406.338 5.623 50 0 HKAARN Cc1sc2nc(SCc3cc(C)ccc3C)n(Cc3ccco3)c(=O)c2c1C ZINC000006787882 557721167 /nfs/dbraw/zinc/72/11/67/557721167.db2.gz NZXJVPWZYNUIOK-UHFFFAOYSA-N 0 0 410.564 5.625 50 0 HKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)n2)cc1 ZINC000006787918 569122342 /nfs/dbraw/zinc/12/23/42/569122342.db2.gz PQQFDWKHZQOYGM-UHFFFAOYSA-N 0 0 401.491 5.103 50 0 HKAARN Cc1nc(NCCc2ccccc2)sc1C(=O)OCc1cccc2ccccc21 ZINC000006787979 568459307 /nfs/dbraw/zinc/45/93/07/568459307.db2.gz HPYVYXWXDSMRHZ-UHFFFAOYSA-N 0 0 402.519 5.616 50 0 HKAARN COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1cccc(OC(C)C)c1 ZINC000006788026 569042831 /nfs/dbraw/zinc/04/28/31/569042831.db2.gz NHBMYMKDHJVTJO-UHFFFAOYSA-N 0 0 423.534 5.858 50 0 HKAARN CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCC(C)CC3)s2)cc1 ZINC000006788204 569122370 /nfs/dbraw/zinc/12/23/70/569122370.db2.gz FILIOEJZLKHRQC-OAHLLOKOSA-N 0 0 404.605 5.144 50 0 HKAARN CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCC(C)CC3)s2)cc1 ZINC000006788205 569122431 /nfs/dbraw/zinc/12/24/31/569122431.db2.gz FILIOEJZLKHRQC-HNNXBMFYSA-N 0 0 404.605 5.144 50 0 HKAARN Cc1sc2nc(SCc3ccc(C)cc3)n(Cc3cccnc3)c(=O)c2c1C ZINC000006788306 569122473 /nfs/dbraw/zinc/12/24/73/569122473.db2.gz BGHHNJRVDSRFKU-UHFFFAOYSA-N 0 0 407.564 5.119 50 0 HKAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)s2)c1 ZINC000006788311 569122464 /nfs/dbraw/zinc/12/24/64/569122464.db2.gz JLANWPCZGQBNEJ-UHFFFAOYSA-N 0 0 418.975 5.591 50 0 HKAARN Cc1cc2sc(NC(=O)c3ccccc3NC(=O)c3ccccc3)nc2c(C)c1 ZINC000006788447 569122645 /nfs/dbraw/zinc/12/26/45/569122645.db2.gz SOBDEEATPZASCG-UHFFFAOYSA-N 0 0 401.491 5.418 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000006788459 569122632 /nfs/dbraw/zinc/12/26/32/569122632.db2.gz NVBOJASJWWUYRU-UHFFFAOYSA-N 0 0 402.475 5.575 50 0 HKAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000006788639 569122571 /nfs/dbraw/zinc/12/25/71/569122571.db2.gz QVAVEDPEWAHZJE-UHFFFAOYSA-N 0 0 412.584 5.753 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Nc2ccccc2C)s1 ZINC000006788662 569122611 /nfs/dbraw/zinc/12/26/11/569122611.db2.gz YEFOYSKWEKPXIN-UHFFFAOYSA-N 0 0 412.584 5.446 50 0 HKAARN COc1ccc(Nc2nnc(SCC(=O)c3c(C)[nH]c4ccccc43)s2)cc1 ZINC000006788668 569122649 /nfs/dbraw/zinc/12/26/49/569122649.db2.gz YIIIUKFFDYGPRT-UHFFFAOYSA-N 0 0 410.524 5.055 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCc4ccccc43)cc12 ZINC000006788736 569123149 /nfs/dbraw/zinc/12/31/49/569123149.db2.gz UIXBUUWDMCFNKB-UHFFFAOYSA-N 0 0 407.926 5.311 50 0 HKAARN O=C(COC(=O)c1cc(Cl)ccc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000006788755 569123137 /nfs/dbraw/zinc/12/31/37/569123137.db2.gz WAOIRFYGRNVXBE-UHFFFAOYSA-N 0 0 414.288 5.056 50 0 HKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCC(C)C ZINC000006788870 569123188 /nfs/dbraw/zinc/12/31/88/569123188.db2.gz FIXTTXVQJPRTGZ-HSZRJFAPSA-N 0 0 406.482 5.090 50 0 HKAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCC(C)C ZINC000006788873 569123160 /nfs/dbraw/zinc/12/31/60/569123160.db2.gz FIXTTXVQJPRTGZ-QHCPKHFHSA-N 0 0 406.482 5.090 50 0 HKAARN Cc1sc2nc(SCc3cccc(C)c3)n(Cc3cccnc3)c(=O)c2c1C ZINC000006789178 569122908 /nfs/dbraw/zinc/12/29/08/569122908.db2.gz HMQDXQFXZFTIRB-UHFFFAOYSA-N 0 0 407.564 5.119 50 0 HKAARN COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc43)n2CC(C)C)cc1 ZINC000006789274 569122913 /nfs/dbraw/zinc/12/29/13/569122913.db2.gz IDWXHLYZVDBPMS-UHFFFAOYSA-N 0 0 420.538 5.066 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC(c1ccccc1)c1ccccc1 ZINC000006789328 569123430 /nfs/dbraw/zinc/12/34/30/569123430.db2.gz YUGWAKLUFOZVAL-UHFFFAOYSA-N 0 0 418.949 5.912 50 0 HKAARN COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12 ZINC000006789527 569123536 /nfs/dbraw/zinc/12/35/36/569123536.db2.gz VNSVSJUDHBBZFT-UHFFFAOYSA-N 0 0 417.490 5.014 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NC1CCCCC1 ZINC000006789593 569123507 /nfs/dbraw/zinc/12/35/07/569123507.db2.gz KPXZXIHRZNFSFP-UHFFFAOYSA-N 0 0 416.566 5.130 50 0 HKAARN Cc1sc2nc(SCc3ccccc3C)n(Cc3cccnc3)c(=O)c2c1C ZINC000006789680 569124004 /nfs/dbraw/zinc/12/40/04/569124004.db2.gz WABNGAUBAKCXAJ-UHFFFAOYSA-N 0 0 407.564 5.119 50 0 HKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1cccc(F)c1 ZINC000006789701 569124009 /nfs/dbraw/zinc/12/40/09/569124009.db2.gz SMCBZCNKWGJMHT-UHFFFAOYSA-N 0 0 407.445 5.306 50 0 HKAARN Cc1ccccc1Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)n1 ZINC000006789710 569042824 /nfs/dbraw/zinc/04/28/24/569042824.db2.gz OSADYTJALXESLT-UHFFFAOYSA-N 0 0 419.488 5.102 50 0 HKAARN COc1cc2c(cc1NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)oc1ccccc12 ZINC000006790162 569124171 /nfs/dbraw/zinc/12/41/71/569124171.db2.gz BHOKHIQPIZGWKB-SFHVURJKSA-N 0 0 417.461 5.405 50 0 HKAARN COc1cc2c(cc1NC(=O)c1ccc(OC[C@H]3CCCO3)cc1)oc1ccccc12 ZINC000006790163 569124244 /nfs/dbraw/zinc/12/42/44/569124244.db2.gz BHOKHIQPIZGWKB-GOSISDBHSA-N 0 0 417.461 5.405 50 0 HKAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000006790183 569124242 /nfs/dbraw/zinc/12/42/42/569124242.db2.gz YUHMRKFIMYWUAY-UHFFFAOYSA-N 0 0 408.911 5.113 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 ZINC000006790425 569124331 /nfs/dbraw/zinc/12/43/31/569124331.db2.gz WLBDJVLWRXSIJQ-UHFFFAOYSA-N 0 0 418.518 5.181 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000006790653 569124442 /nfs/dbraw/zinc/12/44/42/569124442.db2.gz QTSBKYCWYPQBRJ-UHFFFAOYSA-N 0 0 412.584 5.313 50 0 HKAARN Cc1cc2oc(=O)cc(COc3ncnc4c(Cl)cc(Cl)cc34)c2cc1C ZINC000006790714 569124575 /nfs/dbraw/zinc/12/45/75/569124575.db2.gz JDFQWGWHZMTUMI-UHFFFAOYSA-N 0 0 401.249 5.239 50 0 HKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(Br)o2)cc1 ZINC000006790798 569124626 /nfs/dbraw/zinc/12/46/26/569124626.db2.gz XWNLHBNSFCNXIM-UHFFFAOYSA-N 0 0 402.244 5.485 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(C)c(C)c2)n1 ZINC000006791164 569124638 /nfs/dbraw/zinc/12/46/38/569124638.db2.gz RDRXVWSPWKTCFR-UHFFFAOYSA-N 0 0 412.324 6.100 50 0 HKAARN CCc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000006791174 569124643 /nfs/dbraw/zinc/12/46/43/569124643.db2.gz XJQCSYUULQACPS-UHFFFAOYSA-N 0 0 412.324 6.045 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(C)c2C)n1 ZINC000006791178 569124624 /nfs/dbraw/zinc/12/46/24/569124624.db2.gz BWNBHCLJMRMKKK-UHFFFAOYSA-N 0 0 412.324 6.100 50 0 HKAARN CCc1ccccc1Nc1nc2cc(Cl)c(Cl)cc2nc1-n1nc(C)cc1C ZINC000006791188 569124623 /nfs/dbraw/zinc/12/46/23/569124623.db2.gz RIPRSFODLLZKOF-UHFFFAOYSA-N 0 0 412.324 6.045 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2c(C)cccc2C)n1 ZINC000006791196 569124607 /nfs/dbraw/zinc/12/46/07/569124607.db2.gz HNVPPVHTGJJHEU-UHFFFAOYSA-N 0 0 412.324 6.100 50 0 HKAARN CCCN(Cc1cccs1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000006791253 569124584 /nfs/dbraw/zinc/12/45/84/569124584.db2.gz SJYXCYAGUCUKFJ-UHFFFAOYSA-N 0 0 406.573 5.309 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccc3)c3cccc(C)c3)c[nH]c21 ZINC000006791805 569124745 /nfs/dbraw/zinc/12/47/45/569124745.db2.gz VHEXQYHVQQXRAL-VWLOTQADSA-N 0 0 410.561 5.920 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccc3)c3cccc(C)c3)c[nH]c21 ZINC000006791831 569124766 /nfs/dbraw/zinc/12/47/66/569124766.db2.gz VHEXQYHVQQXRAL-RUZDIDTESA-N 0 0 410.561 5.920 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3CC)C2=O)cc1 ZINC000006791850 132316557 /nfs/dbraw/zinc/31/65/57/132316557.db2.gz JKPZQIILZYZSKE-HAVVHWLPSA-N 0 0 412.489 5.288 50 0 HKAARN Cc1nnc2c(Nc3cc(C)cc(C)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792372 569124663 /nfs/dbraw/zinc/12/46/63/569124663.db2.gz CMBGHQSXWYLHCU-UHFFFAOYSA-N 0 0 407.477 5.177 50 0 HKAARN Cc1nnc2c(Nc3ccc(C)c(C)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792496 569124718 /nfs/dbraw/zinc/12/47/18/569124718.db2.gz TXGMKRZACICHLG-UHFFFAOYSA-N 0 0 407.477 5.177 50 0 HKAARN Cc1nnc2c(Nc3ccc(C)c(F)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792578 569124761 /nfs/dbraw/zinc/12/47/61/569124761.db2.gz CJBZPWMFXLQMAZ-UHFFFAOYSA-N 0 0 411.440 5.008 50 0 HKAARN CN(c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1)C1CCCCC1 ZINC000006792828 569124702 /nfs/dbraw/zinc/12/47/02/569124702.db2.gz VJAXKVVJHHMYTQ-UHFFFAOYSA-N 0 0 400.335 5.258 50 0 HKAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000006792983 569124792 /nfs/dbraw/zinc/12/47/92/569124792.db2.gz NVPVQNNKMMAKNY-UHFFFAOYSA-N 0 0 416.378 5.607 50 0 HKAARN Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793304 569124816 /nfs/dbraw/zinc/12/48/16/569124816.db2.gz CNTHRKDXLNOIMH-UHFFFAOYSA-N 0 0 417.505 5.682 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793314 569124818 /nfs/dbraw/zinc/12/48/18/569124818.db2.gz OYYPNWPFQQBERZ-UHFFFAOYSA-N 0 0 403.478 5.339 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793335 569124796 /nfs/dbraw/zinc/12/47/96/569124796.db2.gz NUAGPESTKWHGPE-UHFFFAOYSA-N 0 0 417.505 6.278 50 0 biogenic HKAARN Cc1c(C(=O)Nc2c(C)cccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793345 569124781 /nfs/dbraw/zinc/12/47/81/569124781.db2.gz KCRGZLZWUKCNKF-UHFFFAOYSA-N 0 0 417.505 6.278 50 0 biogenic HKAARN CCc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000006793353 569124850 /nfs/dbraw/zinc/12/48/50/569124850.db2.gz MQUHTQGOBQALEF-UHFFFAOYSA-N 0 0 417.505 6.224 50 0 biogenic HKAARN CCc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)cc1 ZINC000006793360 569124805 /nfs/dbraw/zinc/12/48/05/569124805.db2.gz GMDBLJKICDIZPU-UHFFFAOYSA-N 0 0 417.505 6.224 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793368 569124783 /nfs/dbraw/zinc/12/47/83/569124783.db2.gz ITRTWFPXAXJBDJ-UHFFFAOYSA-N 0 0 407.441 5.801 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793376 569124871 /nfs/dbraw/zinc/12/48/71/569124871.db2.gz VSMAVTXPCJXZQB-UHFFFAOYSA-N 0 0 403.478 5.970 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793382 569124771 /nfs/dbraw/zinc/12/47/71/569124771.db2.gz CROMHYMQHFTWJB-UHFFFAOYSA-N 0 0 417.505 6.278 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793390 569124860 /nfs/dbraw/zinc/12/48/60/569124860.db2.gz DMCBCNREXZMSIX-UHFFFAOYSA-N 0 0 417.505 6.278 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793419 569124866 /nfs/dbraw/zinc/12/48/66/569124866.db2.gz LHSQIJFYRFNRBO-UHFFFAOYSA-N 0 0 417.505 6.278 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793436 569124832 /nfs/dbraw/zinc/12/48/32/569124832.db2.gz QFABERREUGJXPY-UHFFFAOYSA-N 0 0 421.468 5.478 50 0 biogenic HKAARN CCc1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)c1 ZINC000006793444 569124807 /nfs/dbraw/zinc/12/48/07/569124807.db2.gz YFAJGNZNUYHGHK-UHFFFAOYSA-N 0 0 417.505 6.224 50 0 biogenic HKAARN Cc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793449 569124820 /nfs/dbraw/zinc/12/48/20/569124820.db2.gz OEGFURHOWAEDHP-UHFFFAOYSA-N 0 0 409.507 5.401 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(F)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793461 569124786 /nfs/dbraw/zinc/12/47/86/569124786.db2.gz XEVKFZIETVMBAM-UHFFFAOYSA-N 0 0 421.468 6.109 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793478 569124788 /nfs/dbraw/zinc/12/47/88/569124788.db2.gz GSPURQTXMGFZQO-UHFFFAOYSA-N 0 0 403.478 5.970 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793493 569124846 /nfs/dbraw/zinc/12/48/46/569124846.db2.gz RKBTVHYFHJPWAI-UHFFFAOYSA-N 0 0 417.505 5.648 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2F)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000006793501 569124778 /nfs/dbraw/zinc/12/47/78/569124778.db2.gz OMANEWXOFBSHCY-UHFFFAOYSA-N 0 0 421.468 5.478 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000006793508 569124829 /nfs/dbraw/zinc/12/48/29/569124829.db2.gz SGFSCXFPHPTNGD-UHFFFAOYSA-N 0 0 417.505 5.585 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000006793517 569124774 /nfs/dbraw/zinc/12/47/74/569124774.db2.gz OCFXRHSIBIUYQH-UHFFFAOYSA-N 0 0 421.468 6.047 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000006793525 569124776 /nfs/dbraw/zinc/12/47/76/569124776.db2.gz VANIZWVJBSQVFO-UHFFFAOYSA-N 0 0 417.505 6.216 50 0 biogenic HKAARN Cc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000006793532 569124839 /nfs/dbraw/zinc/12/48/39/569124839.db2.gz QTAJUSHULZTGRZ-UHFFFAOYSA-N 0 0 423.534 5.647 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793572 569124802 /nfs/dbraw/zinc/12/48/02/569124802.db2.gz ZTOFGJHFBZISOJ-UHFFFAOYSA-N 0 0 409.869 5.925 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793578 569124779 /nfs/dbraw/zinc/12/47/79/569124779.db2.gz LYUFSICYSLJSDW-UHFFFAOYSA-N 0 0 403.478 5.888 50 0 biogenic HKAARN CCc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000006793582 569124794 /nfs/dbraw/zinc/12/47/94/569124794.db2.gz BADIQVODELXVFP-UHFFFAOYSA-N 0 0 403.478 5.834 50 0 biogenic HKAARN CCc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1 ZINC000006793590 569124801 /nfs/dbraw/zinc/12/48/01/569124801.db2.gz RFZAKFXBXPLISR-UHFFFAOYSA-N 0 0 403.478 5.834 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793611 569124784 /nfs/dbraw/zinc/12/47/84/569124784.db2.gz PVFIACPQAGLLLE-UHFFFAOYSA-N 0 0 403.478 5.258 50 0 biogenic HKAARN Cc1c(C(=O)NCCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793616 569124845 /nfs/dbraw/zinc/12/48/45/569124845.db2.gz FKBZNNSVCJAJAX-UHFFFAOYSA-N 0 0 417.505 5.382 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793629 569124798 /nfs/dbraw/zinc/12/47/98/569124798.db2.gz DCZOJYFDSARCMH-UHFFFAOYSA-N 0 0 403.478 5.888 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793636 569124809 /nfs/dbraw/zinc/12/48/09/569124809.db2.gz KYSYLCBSSDGFGK-UHFFFAOYSA-N 0 0 403.478 5.888 50 0 biogenic HKAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793648 569124811 /nfs/dbraw/zinc/12/48/11/569124811.db2.gz MBMJPXDVVNGRHF-INIZCTEOSA-N 0 0 403.478 5.510 50 0 biogenic HKAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793657 569124848 /nfs/dbraw/zinc/12/48/48/569124848.db2.gz MBMJPXDVVNGRHF-MRXNPFEDSA-N 0 0 403.478 5.510 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793666 569124769 /nfs/dbraw/zinc/12/47/69/569124769.db2.gz UUPGDGNMXIRSLD-UHFFFAOYSA-N 0 0 403.478 5.888 50 0 biogenic HKAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793679 569125329 /nfs/dbraw/zinc/12/53/29/569125329.db2.gz OZHTYRSJEKXRJJ-UHFFFAOYSA-N 0 0 417.505 6.197 50 0 biogenic HKAARN CCc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000006793711 569125318 /nfs/dbraw/zinc/12/53/18/569125318.db2.gz MJENEUHLBAQMPT-UHFFFAOYSA-N 0 0 417.505 6.142 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793732 569125361 /nfs/dbraw/zinc/12/53/61/569125361.db2.gz FTPIMMVBDHHRFI-UHFFFAOYSA-N 0 0 407.441 5.088 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793741 569125314 /nfs/dbraw/zinc/12/53/14/569125314.db2.gz ISHUSMMCNPGZSX-UHFFFAOYSA-N 0 0 417.505 6.395 50 0 biogenic HKAARN COc1ccccc1OP(=O)(N=c1ccc(C)c[nH]1)Oc1ccccc1OC ZINC000006793742 557721534 /nfs/dbraw/zinc/72/15/34/557721534.db2.gz NQTCDCTWTQFXSY-UHFFFAOYSA-N 0 0 400.371 5.085 50 0 HKAARN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793751 569125325 /nfs/dbraw/zinc/12/53/25/569125325.db2.gz AWYZWMVYQRTRNC-UHFFFAOYSA-N 0 0 411.404 5.550 50 0 biogenic HKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793764 569125331 /nfs/dbraw/zinc/12/53/31/569125331.db2.gz ZLLZJXKXQHXKTE-UHFFFAOYSA-N 0 0 407.510 5.640 50 0 biogenic HKAARN COc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000006793775 569125377 /nfs/dbraw/zinc/12/53/77/569125377.db2.gz DTYRNTYMZZCXCW-UHFFFAOYSA-N 0 0 405.450 5.280 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793799 569125470 /nfs/dbraw/zinc/12/54/70/569125470.db2.gz TZBYCRIEVQAUJY-UHFFFAOYSA-N 0 0 403.478 5.258 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000006793810 569125445 /nfs/dbraw/zinc/12/54/45/569125445.db2.gz ZZZFPLOGYBYQPB-UHFFFAOYSA-N 0 0 417.505 5.729 50 0 biogenic HKAARN O=C([O-])c1c(C[NH2+]C2CCCCCCC2)c2ccccc2n1Cc1ccccc1F ZINC000006793811 569125453 /nfs/dbraw/zinc/12/54/53/569125453.db2.gz HLEVLBXJXXMPFG-UHFFFAOYSA-N 0 0 408.517 5.729 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000006793818 569125555 /nfs/dbraw/zinc/12/55/55/569125555.db2.gz NAGJXGIHPVIYIB-UHFFFAOYSA-N 0 0 421.468 6.191 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccco2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000006793828 569125523 /nfs/dbraw/zinc/12/55/23/569125523.db2.gz HAJUEIKOKHMYLK-UHFFFAOYSA-N 0 0 407.466 5.322 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000006793835 569125441 /nfs/dbraw/zinc/12/54/41/569125441.db2.gz RDASIDXWGJXUFK-UHFFFAOYSA-N 0 0 417.505 6.360 50 0 biogenic HKAARN CCc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006793839 569125476 /nfs/dbraw/zinc/12/54/76/569125476.db2.gz ZAZHFWBJPVABPW-UHFFFAOYSA-N 0 0 416.496 5.379 50 0 HKAARN Cc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000006793854 569125534 /nfs/dbraw/zinc/12/55/34/569125534.db2.gz BJCTVFRTYLRKHO-UHFFFAOYSA-N 0 0 402.469 5.125 50 0 HKAARN Cc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])c1 ZINC000006793864 569125529 /nfs/dbraw/zinc/12/55/29/569125529.db2.gz CVDUJUWJZAAQSD-UHFFFAOYSA-N 0 0 402.469 5.125 50 0 HKAARN Cc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000006793872 569125471 /nfs/dbraw/zinc/12/54/71/569125471.db2.gz DNGHVURMEROKNO-UHFFFAOYSA-N 0 0 402.469 5.125 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000006793895 569125448 /nfs/dbraw/zinc/12/54/48/569125448.db2.gz KTLQBSAQWUQIND-UHFFFAOYSA-N 0 0 417.505 6.360 50 0 biogenic HKAARN C[C@@H](C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-])c1ccccc1 ZINC000006793903 569125546 /nfs/dbraw/zinc/12/55/46/569125546.db2.gz ABFXFPAGRMXMPX-SFHVURJKSA-N 0 0 416.496 5.420 50 0 HKAARN C[C@H](C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-])c1ccccc1 ZINC000006793912 569125440 /nfs/dbraw/zinc/12/54/40/569125440.db2.gz ABFXFPAGRMXMPX-GOSISDBHSA-N 0 0 416.496 5.420 50 0 HKAARN O=C([O-])c1c(C[NH2+]C2CCCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000006793933 569125442 /nfs/dbraw/zinc/12/54/42/569125442.db2.gz SAGLKWQWNLFBKY-UHFFFAOYSA-N 0 0 410.945 5.854 50 0 HKAARN O=C([O-])c1c(C[NH2+]C2CCCCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000006793951 569125444 /nfs/dbraw/zinc/12/54/44/569125444.db2.gz GXQQNRXDXICYEZ-UHFFFAOYSA-N 0 0 424.972 6.244 50 0 HKAARN Cc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000006793956 569125515 /nfs/dbraw/zinc/12/55/15/569125515.db2.gz PVYHWFJHTBIEJN-UHFFFAOYSA-N 0 0 418.924 5.639 50 0 HKAARN Cc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])o1 ZINC000006793960 569125557 /nfs/dbraw/zinc/12/55/57/569125557.db2.gz NKZJSZUNWLGATM-UHFFFAOYSA-N 0 0 408.885 5.232 50 0 HKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]C3CCCCCC3)c2C(=O)[O-])cc1 ZINC000006793993 569125457 /nfs/dbraw/zinc/12/54/57/569125457.db2.gz VVPVEQUSPVANIK-UHFFFAOYSA-N 0 0 406.526 5.209 50 0 HKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]C3CCCCCCC3)c2C(=O)[O-])cc1 ZINC000006794001 569125479 /nfs/dbraw/zinc/12/54/79/569125479.db2.gz MTVMEPBGQJPFOX-UHFFFAOYSA-N 0 0 420.553 5.599 50 0 HKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]C3CCC(C)CC3)c2C(=O)[O-])cc1 ZINC000006794051 569125461 /nfs/dbraw/zinc/12/54/61/569125461.db2.gz CFJTXQPIYLIUCJ-UHFFFAOYSA-N 0 0 406.526 5.065 50 0 HKAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]CCC3=CCCCC3)c2C(=O)[O-])cc1 ZINC000006794069 569125549 /nfs/dbraw/zinc/12/55/49/569125549.db2.gz NIHIITDBFLAVNZ-UHFFFAOYSA-N 0 0 418.537 5.377 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006794090 569125542 /nfs/dbraw/zinc/12/55/42/569125542.db2.gz KZAINVLDXUBWOW-UHFFFAOYSA-N 0 0 410.517 5.629 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc(C)o3)c2C(=O)[O-])cc1 ZINC000006794092 569125454 /nfs/dbraw/zinc/12/54/54/569125454.db2.gz PSYJGHMIJPQTEN-UHFFFAOYSA-N 0 0 400.478 5.222 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006794096 569125446 /nfs/dbraw/zinc/12/54/46/569125446.db2.gz JBMSIXJRUHEWNF-UHFFFAOYSA-N 0 0 414.480 5.460 50 0 HKAARN Cc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])c1 ZINC000006794155 569125489 /nfs/dbraw/zinc/12/54/89/569125489.db2.gz AFWMEGDTXSPEEW-UHFFFAOYSA-N 0 0 402.469 5.125 50 0 HKAARN Cc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000006794167 569125492 /nfs/dbraw/zinc/12/54/92/569125492.db2.gz HSMFTSAWPLTCDX-UHFFFAOYSA-N 0 0 402.469 5.125 50 0 HKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1C ZINC000006794173 569125443 /nfs/dbraw/zinc/12/54/43/569125443.db2.gz YMCDMOCJNQUZLW-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1C ZINC000006794186 569125506 /nfs/dbraw/zinc/12/55/06/569125506.db2.gz YMCDMOCJNQUZLW-OAQYLSRUSA-N 0 0 407.876 6.347 50 0 HKAARN CCc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000006794212 569125510 /nfs/dbraw/zinc/12/55/10/569125510.db2.gz VRRMDFJJCKMIQH-UHFFFAOYSA-N 0 0 416.496 5.379 50 0 HKAARN Cc1ccccc1CC[NH2+]Cc1c2ccccc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000006794220 569125540 /nfs/dbraw/zinc/12/55/40/569125540.db2.gz HAKBILKZHBJXPO-UHFFFAOYSA-N 0 0 416.496 5.168 50 0 HKAARN Clc1ccccc1-c1nnc([C@@H](Nc2cccc3c2CCCC3)c2ccccc2)o1 ZINC000006794265 557721593 /nfs/dbraw/zinc/72/15/93/557721593.db2.gz UQVZYXLUTXLTPJ-QHCPKHFHSA-N 0 0 415.924 6.470 50 0 HKAARN Clc1ccccc1-c1nnc([C@H](Nc2cccc3c2CCCC3)c2ccccc2)o1 ZINC000006794280 557721559 /nfs/dbraw/zinc/72/15/59/557721559.db2.gz UQVZYXLUTXLTPJ-HSZRJFAPSA-N 0 0 415.924 6.470 50 0 HKAARN COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2C[NH2+]C1CCCCCC1 ZINC000006794282 569125648 /nfs/dbraw/zinc/12/56/48/569125648.db2.gz BZCSHQMKSHYSSR-UHFFFAOYSA-N 0 0 420.553 5.517 50 0 HKAARN Cc1cc(C)cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c1 ZINC000006794283 569125584 /nfs/dbraw/zinc/12/55/84/569125584.db2.gz SLGXLMWQOWDPEZ-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1cc(C)cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c1 ZINC000006794286 569125597 /nfs/dbraw/zinc/12/55/97/569125597.db2.gz SLGXLMWQOWDPEZ-OAQYLSRUSA-N 0 0 407.876 6.347 50 0 HKAARN COc1ccc2c(C[NH2+]Cc3cccs3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006794335 569125608 /nfs/dbraw/zinc/12/56/08/569125608.db2.gz ZCONZVJVULEMRW-UHFFFAOYSA-N 0 0 420.534 5.056 50 0 HKAARN COc1ccc2c(C[NH2+]C3CCCCCC3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000006794389 569125652 /nfs/dbraw/zinc/12/56/52/569125652.db2.gz SGSJXZCAUBRGDA-UHFFFAOYSA-N 0 0 424.516 5.348 50 0 HKAARN COc1ccc2c(C[NH2+]C3CCC(C)CC3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000006794413 569125603 /nfs/dbraw/zinc/12/56/03/569125603.db2.gz YLIPCPMUMBVCRO-UHFFFAOYSA-N 0 0 424.516 5.204 50 0 HKAARN CC[C@@H](C)[NH2+]Cc1c2ccc(OC)cc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000006794440 569125578 /nfs/dbraw/zinc/12/55/78/569125578.db2.gz QURFYMJIPDRRKT-CYBMUJFWSA-N 0 0 418.896 5.077 50 0 HKAARN CC[C@H](C)[NH2+]Cc1c2ccc(OC)cc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000006794449 569125653 /nfs/dbraw/zinc/12/56/53/569125653.db2.gz QURFYMJIPDRRKT-ZDUSSCGKSA-N 0 0 418.896 5.077 50 0 HKAARN C=Cc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]C3CCCCC3)c2C(=O)[O-])cc1 ZINC000006794493 569125610 /nfs/dbraw/zinc/12/56/10/569125610.db2.gz UCYJNMKAWYBLAZ-UHFFFAOYSA-N 0 0 418.537 5.462 50 0 HKAARN Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1C ZINC000006794502 557721506 /nfs/dbraw/zinc/72/15/06/557721506.db2.gz CZXULRHNEGNVPX-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1C ZINC000006794515 557721709 /nfs/dbraw/zinc/72/17/09/557721709.db2.gz CZXULRHNEGNVPX-OAQYLSRUSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1ccc(C)c(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000006794525 557721661 /nfs/dbraw/zinc/72/16/61/557721661.db2.gz YGVFUABEYKEFHF-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1ccc(C)c(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000006794537 557721745 /nfs/dbraw/zinc/72/17/45/557721745.db2.gz YGVFUABEYKEFHF-OAQYLSRUSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1cc(C)cc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000006794544 557721772 /nfs/dbraw/zinc/72/17/72/557721772.db2.gz YQVSWJJYZRJCHG-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1cc(C)cc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000006794553 557721797 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C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000006803602 569129967 /nfs/dbraw/zinc/12/99/67/569129967.db2.gz DHPRVFVSTKUUQP-FQEVSTJZSA-N 0 0 412.533 5.499 50 0 HKAARN C[C@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000006803604 569129981 /nfs/dbraw/zinc/12/99/81/569129981.db2.gz DHPRVFVSTKUUQP-HXUWFJFHSA-N 0 0 412.533 5.499 50 0 HKAARN O=C([O-])c1c(C[NH2+]Cc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1 ZINC000006803637 569129974 /nfs/dbraw/zinc/12/99/74/569129974.db2.gz VGXMQRQEDJWUKW-UHFFFAOYSA-N 0 0 404.897 5.331 50 0 HKAARN O=C([O-])c1c(C[NH2+]Cc2ccccc2Cl)c2ccccc2n1Cc1ccccc1 ZINC000006803641 569130076 /nfs/dbraw/zinc/13/00/76/569130076.db2.gz TXWLZCXZALOYOL-UHFFFAOYSA-N 0 0 404.897 5.331 50 0 HKAARN O=C([O-])c1c(C[NH2+]Cc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 ZINC000006803643 569130060 /nfs/dbraw/zinc/13/00/60/569130060.db2.gz XPNXTSREOICFPY-UHFFFAOYSA-N 0 0 404.897 5.331 50 0 HKAARN O=C([O-])c1c(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 ZINC000006803645 569130051 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Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)c1C ZINC000006834412 569148697 /nfs/dbraw/zinc/14/86/97/569148697.db2.gz DYMFHNCUGJYBSL-VWLOTQADSA-N 0 0 416.546 5.263 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)c1C ZINC000006834413 569148683 /nfs/dbraw/zinc/14/86/83/569148683.db2.gz DYMFHNCUGJYBSL-RUZDIDTESA-N 0 0 416.546 5.263 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2cccc(F)c2)cc1 ZINC000006834458 569148736 /nfs/dbraw/zinc/14/87/36/569148736.db2.gz LQBQNMJBEISJLK-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2cccc(F)c2)cc1 ZINC000006834459 569148710 /nfs/dbraw/zinc/14/87/10/569148710.db2.gz LQBQNMJBEISJLK-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000006834489 569148711 /nfs/dbraw/zinc/14/87/11/569148711.db2.gz HXYPEYILWQKXOT-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000006834491 569148715 /nfs/dbraw/zinc/14/87/15/569148715.db2.gz HXYPEYILWQKXOT-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN CCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000006834601 569148691 /nfs/dbraw/zinc/14/86/91/569148691.db2.gz LZTAMVAHHQDSCQ-HSZRJFAPSA-N 0 0 410.583 5.891 50 0 HKAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000006834602 569148703 /nfs/dbraw/zinc/14/87/03/569148703.db2.gz LZTAMVAHHQDSCQ-QHCPKHFHSA-N 0 0 410.583 5.891 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCC3CCCC3)cc2)c1 ZINC000006834637 569148705 /nfs/dbraw/zinc/14/87/05/569148705.db2.gz VYOWEYVMKHAZBJ-VWLOTQADSA-N 0 0 422.594 5.991 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCC3CCCC3)cc2)c1 ZINC000006834639 569148674 /nfs/dbraw/zinc/14/86/74/569148674.db2.gz VYOWEYVMKHAZBJ-RUZDIDTESA-N 0 0 422.594 5.991 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000006834640 569148686 /nfs/dbraw/zinc/14/86/86/569148686.db2.gz OWXOWCBWGYFBLT-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000006834641 569148713 /nfs/dbraw/zinc/14/87/13/569148713.db2.gz OWXOWCBWGYFBLT-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(C)cc3)cc2)cc1 ZINC000006834714 569148809 /nfs/dbraw/zinc/14/88/09/569148809.db2.gz IFFJNDDUNQDMLT-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)cc3)cc2)cc1 ZINC000006834715 569148793 /nfs/dbraw/zinc/14/87/93/569148793.db2.gz IFFJNDDUNQDMLT-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000006834792 569148810 /nfs/dbraw/zinc/14/88/10/569148810.db2.gz YPIRZMVYWUNVOT-DEOSSOPVSA-N 0 0 402.519 5.334 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000006834793 569148788 /nfs/dbraw/zinc/14/87/88/569148788.db2.gz YPIRZMVYWUNVOT-XMMPIXPASA-N 0 0 402.519 5.334 50 0 HKAARN CC(C)[C@@H](C)NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834871 569148818 /nfs/dbraw/zinc/14/88/18/569148818.db2.gz XLQHMNNZLHFPKM-BEFAXECRSA-N 0 0 402.460 5.869 50 0 HKAARN CC(C)[C@H](C)NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834873 569148785 /nfs/dbraw/zinc/14/87/85/569148785.db2.gz XLQHMNNZLHFPKM-KXBFYZLASA-N 0 0 402.460 5.869 50 0 HKAARN CC(C)[C@@H](C)NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834874 569148831 /nfs/dbraw/zinc/14/88/31/569148831.db2.gz XLQHMNNZLHFPKM-DNVCBOLYSA-N 0 0 402.460 5.869 50 0 HKAARN CC(C)[C@H](C)NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834876 569148842 /nfs/dbraw/zinc/14/88/42/569148842.db2.gz XLQHMNNZLHFPKM-HNAYVOBHSA-N 0 0 402.460 5.869 50 0 HKAARN O=C(Nc1nnc(SCc2cccc(OC(F)(F)F)c2)s1)C1CCCCC1 ZINC000006835582 569148956 /nfs/dbraw/zinc/14/89/56/569148956.db2.gz QZWJJBIJABIEKB-UHFFFAOYSA-N 0 0 417.478 5.248 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000006835605 569148932 /nfs/dbraw/zinc/14/89/32/569148932.db2.gz SEPKYYBFCWZOHT-IBGZPJMESA-N 0 0 416.487 6.043 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000006835606 569148948 /nfs/dbraw/zinc/14/89/48/569148948.db2.gz SEPKYYBFCWZOHT-LJQANCHMSA-N 0 0 416.487 6.043 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000006836226 569149106 /nfs/dbraw/zinc/14/91/06/569149106.db2.gz ADHPAYHKXOUYFG-QHCPKHFHSA-N 0 0 406.507 5.434 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000006836227 569149165 /nfs/dbraw/zinc/14/91/65/569149165.db2.gz ADHPAYHKXOUYFG-HSZRJFAPSA-N 0 0 406.507 5.434 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000006836244 569149199 /nfs/dbraw/zinc/14/91/99/569149199.db2.gz WVHIUQWSHQWIDU-VWLOTQADSA-N 0 0 422.594 5.937 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CCC2CCCC2)c1 ZINC000006836245 569149196 /nfs/dbraw/zinc/14/91/96/569149196.db2.gz WVHIUQWSHQWIDU-RUZDIDTESA-N 0 0 422.594 5.937 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000006836247 569149158 /nfs/dbraw/zinc/14/91/58/569149158.db2.gz VHIRKGWTWRLYFO-VWLOTQADSA-N 0 0 416.546 5.345 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000006836248 569149195 /nfs/dbraw/zinc/14/91/95/569149195.db2.gz VHIRKGWTWRLYFO-RUZDIDTESA-N 0 0 416.546 5.345 50 0 HKAARN CC(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006836302 569149145 /nfs/dbraw/zinc/14/91/45/569149145.db2.gz JRPBDMTXJHCXEA-SFHVURJKSA-N 0 0 402.460 5.871 50 0 HKAARN CC(C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006836303 569149179 /nfs/dbraw/zinc/14/91/79/569149179.db2.gz JRPBDMTXJHCXEA-GOSISDBHSA-N 0 0 402.460 5.871 50 0 HKAARN COc1ccc(C)cc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000006836341 569149187 /nfs/dbraw/zinc/14/91/87/569149187.db2.gz WQIZQXUONUBBNY-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1ccc(C)cc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000006836342 569149161 /nfs/dbraw/zinc/14/91/61/569149161.db2.gz WQIZQXUONUBBNY-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3C(F)(F)F)s2)cc1 ZINC000006836375 569149225 /nfs/dbraw/zinc/14/92/25/569149225.db2.gz HVOCEIDUKWUTBX-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN CCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000006836388 569149174 /nfs/dbraw/zinc/14/91/74/569149174.db2.gz RRQZIHUCZDOOJB-HSZRJFAPSA-N 0 0 412.555 5.383 50 0 HKAARN CCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000006836390 569149147 /nfs/dbraw/zinc/14/91/47/569149147.db2.gz RRQZIHUCZDOOJB-QHCPKHFHSA-N 0 0 412.555 5.383 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2C(F)(F)F)s1)C1CCCCC1 ZINC000006836463 569148193 /nfs/dbraw/zinc/14/81/93/569148193.db2.gz RHOGOKLCHVFCGV-UHFFFAOYSA-N 0 0 401.479 5.368 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006836470 569148110 /nfs/dbraw/zinc/14/81/10/569148110.db2.gz KRQUJWLHGZEQBS-WAIKUNEKSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006836473 569148197 /nfs/dbraw/zinc/14/81/97/569148197.db2.gz KRQUJWLHGZEQBS-QMHKHESXSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006836474 569148158 /nfs/dbraw/zinc/14/81/58/569148158.db2.gz KRQUJWLHGZEQBS-MWTRTKDXSA-N 0 0 414.546 5.759 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006836476 569148095 /nfs/dbraw/zinc/14/80/95/569148095.db2.gz KRQUJWLHGZEQBS-HJPURHCSSA-N 0 0 414.546 5.759 50 0 HKAARN CCCCCc1ccc(C(=O)CSc2nnc(NC(=O)CC(C)(C)C)s2)cc1 ZINC000006836498 569148086 /nfs/dbraw/zinc/14/80/86/569148086.db2.gz MFBUBGRJPHANEL-UHFFFAOYSA-N 0 0 419.616 5.621 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000006836516 569148191 /nfs/dbraw/zinc/14/81/91/569148191.db2.gz MLXITQWKZJAGNA-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000006836517 569148220 /nfs/dbraw/zinc/14/82/20/569148220.db2.gz MLXITQWKZJAGNA-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc([C@@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C(C)=C2C(=O)OC(C)C)cc1 ZINC000006836535 569148217 /nfs/dbraw/zinc/14/82/17/569148217.db2.gz JKBIMYLZTFEFSM-NRFANRHFSA-N 0 0 413.464 5.015 50 0 HKAARN Cc1ccc([C@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C(C)=C2C(=O)OC(C)C)cc1 ZINC000006836536 569148225 /nfs/dbraw/zinc/14/82/25/569148225.db2.gz JKBIMYLZTFEFSM-OAQYLSRUSA-N 0 0 413.464 5.015 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC000006836622 569148262 /nfs/dbraw/zinc/14/82/62/569148262.db2.gz QCLTXJGAPVHZJO-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC000006836623 569148202 /nfs/dbraw/zinc/14/82/02/569148202.db2.gz QCLTXJGAPVHZJO-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000006836693 569149918 /nfs/dbraw/zinc/14/99/18/569149918.db2.gz XKPDCMAQVSCUOL-QFIPXVFZSA-N 0 0 408.548 5.341 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000006836694 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HKAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000006837902 569149516 /nfs/dbraw/zinc/14/95/16/569149516.db2.gz NFKIJDXAIVDIDU-DEOSSOPVSA-N 0 0 420.509 5.419 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 ZINC000006837909 569149543 /nfs/dbraw/zinc/14/95/43/569149543.db2.gz FZGPDYWZXOKXGP-XMMPIXPASA-N 0 0 410.583 5.937 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 ZINC000006837910 569149530 /nfs/dbraw/zinc/14/95/30/569149530.db2.gz FZGPDYWZXOKXGP-DEOSSOPVSA-N 0 0 410.583 5.937 50 0 HKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000006837914 569149520 /nfs/dbraw/zinc/14/95/20/569149520.db2.gz HTUMTSJTPWJPPG-DEOSSOPVSA-N 0 0 422.594 5.891 50 0 HKAARN CC(C)(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000006837915 569149511 /nfs/dbraw/zinc/14/95/11/569149511.db2.gz HTUMTSJTPWJPPG-XMMPIXPASA-N 0 0 422.594 5.891 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006837934 569149567 /nfs/dbraw/zinc/14/95/67/569149567.db2.gz DXHDJNNHGFRYNX-DEOSSOPVSA-N 0 0 412.533 5.577 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3cccc(OC)c3)c[nH]c21 ZINC000006837935 569149573 /nfs/dbraw/zinc/14/95/73/569149573.db2.gz DXHDJNNHGFRYNX-XMMPIXPASA-N 0 0 412.533 5.577 50 0 HKAARN CCOC(=O)C1=C(CC)N(Cc2cccc(C)c2)C(=O)C[C@H]1c1cccc(Cl)c1 ZINC000006837986 569149592 /nfs/dbraw/zinc/14/95/92/569149592.db2.gz VSDUUXFBPHCJFE-FQEVSTJZSA-N 0 0 411.929 5.392 50 0 HKAARN CCOC(=O)C1=C(CC)N(Cc2cccc(C)c2)C(=O)C[C@@H]1c1cccc(Cl)c1 ZINC000006837987 569149537 /nfs/dbraw/zinc/14/95/37/569149537.db2.gz VSDUUXFBPHCJFE-HXUWFJFHSA-N 0 0 411.929 5.392 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000006837995 569149583 /nfs/dbraw/zinc/14/95/83/569149583.db2.gz ZYERVSSFYIRNFS-QFIPXVFZSA-N 0 0 408.548 5.341 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000006837997 569149584 /nfs/dbraw/zinc/14/95/84/569149584.db2.gz ZYERVSSFYIRNFS-JOCHJYFZSA-N 0 0 408.548 5.341 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000006838004 569149499 /nfs/dbraw/zinc/14/94/99/569149499.db2.gz YBZUGAMDNCPOOH-VWLOTQADSA-N 0 0 416.546 5.588 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000006838005 569149492 /nfs/dbraw/zinc/14/94/92/569149492.db2.gz YBZUGAMDNCPOOH-RUZDIDTESA-N 0 0 416.546 5.588 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000006838008 569149524 /nfs/dbraw/zinc/14/95/24/569149524.db2.gz GQUKGXLVZPPFIR-KBMIEXCESA-N 0 0 424.610 6.183 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000006838009 569149565 /nfs/dbraw/zinc/14/95/65/569149565.db2.gz GQUKGXLVZPPFIR-UQBPGWFLSA-N 0 0 424.610 6.183 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000006838010 569149590 /nfs/dbraw/zinc/14/95/90/569149590.db2.gz GQUKGXLVZPPFIR-CLOONOSVSA-N 0 0 424.610 6.183 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000006838011 569149531 /nfs/dbraw/zinc/14/95/31/569149531.db2.gz GQUKGXLVZPPFIR-DFBJGRDBSA-N 0 0 424.610 6.183 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000006838038 569149528 /nfs/dbraw/zinc/14/95/28/569149528.db2.gz BOJOTDHMCZCGQB-NRFANRHFSA-N 0 0 409.869 5.194 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c(C)c1 ZINC000006838040 569149581 /nfs/dbraw/zinc/14/95/81/569149581.db2.gz MPERCRPAUPECIS-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c(C)c1 ZINC000006838041 569149546 /nfs/dbraw/zinc/14/95/46/569149546.db2.gz MPERCRPAUPECIS-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000006838126 569149668 /nfs/dbraw/zinc/14/96/68/569149668.db2.gz RKHAILLJCABJEP-DEOSSOPVSA-N 0 0 402.519 5.334 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000006838127 569149688 /nfs/dbraw/zinc/14/96/88/569149688.db2.gz RKHAILLJCABJEP-XMMPIXPASA-N 0 0 402.519 5.334 50 0 HKAARN Cc1ccc(C)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000006838130 557726293 /nfs/dbraw/zinc/72/62/93/557726293.db2.gz DTDMXEXOUKDTNV-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(C)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000006838132 557726234 /nfs/dbraw/zinc/72/62/34/557726234.db2.gz DTDMXEXOUKDTNV-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000006838139 569149616 /nfs/dbraw/zinc/14/96/16/569149616.db2.gz VHFGOAGDSZPKIH-VWLOTQADSA-N 0 0 416.546 5.588 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 ZINC000006838141 569149654 /nfs/dbraw/zinc/14/96/54/569149654.db2.gz VHFGOAGDSZPKIH-RUZDIDTESA-N 0 0 416.546 5.588 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000006838163 569149614 /nfs/dbraw/zinc/14/96/14/569149614.db2.gz LOGXNDQNZGGJFX-DEOSSOPVSA-N 0 0 420.509 5.419 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000006838165 569149639 /nfs/dbraw/zinc/14/96/39/569149639.db2.gz LOGXNDQNZGGJFX-XMMPIXPASA-N 0 0 420.509 5.419 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000006838169 569149666 /nfs/dbraw/zinc/14/96/66/569149666.db2.gz YMIKRQWHYHBMMH-VWLOTQADSA-N 0 0 422.594 5.937 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000006838170 569149686 /nfs/dbraw/zinc/14/96/86/569149686.db2.gz YMIKRQWHYHBMMH-RUZDIDTESA-N 0 0 422.594 5.937 50 0 HKAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Cl)CC(=O)N1Cc1ccccc1 ZINC000006838188 569149657 /nfs/dbraw/zinc/14/96/57/569149657.db2.gz VVXZHRBBHZNRQR-FQEVSTJZSA-N 0 0 411.929 5.329 50 0 HKAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)CC(=O)N1Cc1ccccc1 ZINC000006838189 569149606 /nfs/dbraw/zinc/14/96/06/569149606.db2.gz VVXZHRBBHZNRQR-HXUWFJFHSA-N 0 0 411.929 5.329 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)C(C)C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006838199 569149605 /nfs/dbraw/zinc/14/96/05/569149605.db2.gz MADRIDWKNVHJAQ-UWJYYQICSA-N 0 0 422.569 5.430 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)C(C)C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006838200 569149664 /nfs/dbraw/zinc/14/96/64/569149664.db2.gz MADRIDWKNVHJAQ-LAUBAEHRSA-N 0 0 422.569 5.430 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)C(C)C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006838202 569149682 /nfs/dbraw/zinc/14/96/82/569149682.db2.gz MADRIDWKNVHJAQ-UTKZUKDTSA-N 0 0 422.569 5.430 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)C(C)C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006838203 569149604 /nfs/dbraw/zinc/14/96/04/569149604.db2.gz MADRIDWKNVHJAQ-DYESRHJHSA-N 0 0 422.569 5.430 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000006838250 569149644 /nfs/dbraw/zinc/14/96/44/569149644.db2.gz AKCVOJZEPMIBSB-XMMPIXPASA-N 0 0 402.519 5.280 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3)cc2)cc1 ZINC000006838251 569149625 /nfs/dbraw/zinc/14/96/25/569149625.db2.gz AKCVOJZEPMIBSB-DEOSSOPVSA-N 0 0 402.519 5.280 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000006838274 569149603 /nfs/dbraw/zinc/14/96/03/569149603.db2.gz RZIXAENCQBBFID-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000006838275 569149632 /nfs/dbraw/zinc/14/96/32/569149632.db2.gz RZIXAENCQBBFID-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 ZINC000006838279 569149635 /nfs/dbraw/zinc/14/96/35/569149635.db2.gz ZEALSDLEBNZLRZ-UHFFFAOYSA-N 0 0 417.987 6.034 50 0 HKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000006838354 569149736 /nfs/dbraw/zinc/14/97/36/569149736.db2.gz JPYYJQATIPCTSW-UHFFFAOYSA-N 0 0 418.537 6.115 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006838382 569149772 /nfs/dbraw/zinc/14/97/72/569149772.db2.gz VBOIGSMMCFETEY-HSZRJFAPSA-N 0 0 414.546 5.822 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006838383 569149721 /nfs/dbraw/zinc/14/97/21/569149721.db2.gz VBOIGSMMCFETEY-QHCPKHFHSA-N 0 0 414.546 5.822 50 0 HKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc2c1OCO2 ZINC000006838401 569149722 /nfs/dbraw/zinc/14/97/22/569149722.db2.gz KAARLFUMWNQFQP-NRFANRHFSA-N 0 0 420.553 5.678 50 0 HKAARN CCCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc2c1OCO2 ZINC000006838403 569149724 /nfs/dbraw/zinc/14/97/24/569149724.db2.gz KAARLFUMWNQFQP-OAQYLSRUSA-N 0 0 420.553 5.678 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000006838459 569149733 /nfs/dbraw/zinc/14/97/33/569149733.db2.gz KTSFAMZQDLVXGR-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000006838460 569149738 /nfs/dbraw/zinc/14/97/38/569149738.db2.gz KTSFAMZQDLVXGR-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000006838462 569149802 /nfs/dbraw/zinc/14/98/02/569149802.db2.gz LJIZIOOSSCATEW-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000006838463 569149741 /nfs/dbraw/zinc/14/97/41/569149741.db2.gz LJIZIOOSSCATEW-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006838484 569149752 /nfs/dbraw/zinc/14/97/52/569149752.db2.gz KGGXCMTZJLQAND-HSZRJFAPSA-N 0 0 412.555 5.383 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006838486 569149735 /nfs/dbraw/zinc/14/97/35/569149735.db2.gz KGGXCMTZJLQAND-QHCPKHFHSA-N 0 0 412.555 5.383 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2CCC)cc1 ZINC000006838487 569149751 /nfs/dbraw/zinc/14/97/51/569149751.db2.gz GURUTTWECRTVKN-RUZDIDTESA-N 0 0 424.610 6.327 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2CCC)cc1 ZINC000006838488 569149723 /nfs/dbraw/zinc/14/97/23/569149723.db2.gz GURUTTWECRTVKN-VWLOTQADSA-N 0 0 424.610 6.327 50 0 HKAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)C1CCCCC1 ZINC000006838552 569149734 /nfs/dbraw/zinc/14/97/34/569149734.db2.gz TUBCSXFOXPEQCO-RUZDIDTESA-N 0 0 420.578 5.473 50 0 HKAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)C1CCCCC1 ZINC000006838553 569149800 /nfs/dbraw/zinc/14/98/00/569149800.db2.gz TUBCSXFOXPEQCO-VWLOTQADSA-N 0 0 420.578 5.473 50 0 HKAARN COc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000006838573 569149745 /nfs/dbraw/zinc/14/97/45/569149745.db2.gz WHYXJTIMFPQZDC-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000006838574 569149784 /nfs/dbraw/zinc/14/97/84/569149784.db2.gz WHYXJTIMFPQZDC-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN CCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(C)cc1C ZINC000006838642 569149793 /nfs/dbraw/zinc/14/97/93/569149793.db2.gz JUVCSWHPJYZMSH-XMMPIXPASA-N 0 0 410.583 5.991 50 0 HKAARN CCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C)cc1C ZINC000006838643 569149797 /nfs/dbraw/zinc/14/97/97/569149797.db2.gz JUVCSWHPJYZMSH-DEOSSOPVSA-N 0 0 410.583 5.991 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCC(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838729 569149708 /nfs/dbraw/zinc/14/97/08/569149708.db2.gz FNNHVSXURNAQCA-FQEVSTJZSA-N 0 0 406.526 5.143 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCC(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838731 569149865 /nfs/dbraw/zinc/14/98/65/569149865.db2.gz FNNHVSXURNAQCA-HXUWFJFHSA-N 0 0 406.526 5.143 50 0 HKAARN CCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)c1 ZINC000006838771 569150857 /nfs/dbraw/zinc/15/08/57/569150857.db2.gz PIEMRWBXBCGHOJ-XMMPIXPASA-N 0 0 424.610 6.282 50 0 HKAARN CCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)c1 ZINC000006838772 569150852 /nfs/dbraw/zinc/15/08/52/569150852.db2.gz PIEMRWBXBCGHOJ-DEOSSOPVSA-N 0 0 424.610 6.282 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3)c2)cc1 ZINC000006838812 569150077 /nfs/dbraw/zinc/15/00/77/569150077.db2.gz DZOPAYYANZACPE-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(F)c3)c2)cc1 ZINC000006838814 569150129 /nfs/dbraw/zinc/15/01/29/569150129.db2.gz DZOPAYYANZACPE-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCOC)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000006838870 569150151 /nfs/dbraw/zinc/15/01/51/569150151.db2.gz XBGAKIGBWNDPQX-IBGZPJMESA-N 0 0 418.459 5.034 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCOC)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000006838871 569150101 /nfs/dbraw/zinc/15/01/01/569150101.db2.gz XBGAKIGBWNDPQX-LJQANCHMSA-N 0 0 418.459 5.034 50 0 HKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(C)c(C)c1 ZINC000006838910 569150089 /nfs/dbraw/zinc/15/00/89/569150089.db2.gz FYQBMZQBNMJHTE-UHFFFAOYSA-N 0 0 402.519 5.303 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)C(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838913 569150060 /nfs/dbraw/zinc/15/00/60/569150060.db2.gz WRNIKYKAIKDYLR-JXFKEZNVSA-N 0 0 406.526 5.142 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)C(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838914 569150127 /nfs/dbraw/zinc/15/01/27/569150127.db2.gz WRNIKYKAIKDYLR-OXJNMPFZSA-N 0 0 406.526 5.142 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)C(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838916 569150113 /nfs/dbraw/zinc/15/01/13/569150113.db2.gz WRNIKYKAIKDYLR-UZLBHIALSA-N 0 0 406.526 5.142 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)C(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006838917 569150145 /nfs/dbraw/zinc/15/01/45/569150145.db2.gz WRNIKYKAIKDYLR-OXQOHEQNSA-N 0 0 406.526 5.142 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000006838990 569150105 /nfs/dbraw/zinc/15/01/05/569150105.db2.gz XXXHQJPLGNQCDW-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)cc1 ZINC000006838992 569150051 /nfs/dbraw/zinc/15/00/51/569150051.db2.gz XXXHQJPLGNQCDW-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000006839017 569150103 /nfs/dbraw/zinc/15/01/03/569150103.db2.gz BWJTYZCIQSTHIH-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000006839018 569150116 /nfs/dbraw/zinc/15/01/16/569150116.db2.gz BWJTYZCIQSTHIH-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN C[C@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000006839079 569150203 /nfs/dbraw/zinc/15/02/03/569150203.db2.gz NKYPJHKDDANBJM-CPJSRVTESA-N 0 0 424.588 6.865 50 0 HKAARN C[C@@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000006839080 569150230 /nfs/dbraw/zinc/15/02/30/569150230.db2.gz NKYPJHKDDANBJM-NLFFAJNJSA-N 0 0 424.588 6.865 50 0 HKAARN C[C@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000006839081 569150205 /nfs/dbraw/zinc/15/02/05/569150205.db2.gz NKYPJHKDDANBJM-NBGIEHNGSA-N 0 0 424.588 6.865 50 0 HKAARN C[C@@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000006839082 569150188 /nfs/dbraw/zinc/15/01/88/569150188.db2.gz NKYPJHKDDANBJM-CJFMBICVSA-N 0 0 424.588 6.865 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)C1CCCC1 ZINC000006839107 569150184 /nfs/dbraw/zinc/15/01/84/569150184.db2.gz CDHDSFPYGIZTMW-DEOSSOPVSA-N 0 0 408.567 5.717 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)C1CCCC1 ZINC000006839108 569150160 /nfs/dbraw/zinc/15/01/60/569150160.db2.gz CDHDSFPYGIZTMW-XMMPIXPASA-N 0 0 408.567 5.717 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(C)c3C)cc2)cc1 ZINC000006839111 569150192 /nfs/dbraw/zinc/15/01/92/569150192.db2.gz OGINPIKLGLSTLQ-RUZDIDTESA-N 0 0 416.546 5.643 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3C)cc2)cc1 ZINC000006839112 569150182 /nfs/dbraw/zinc/15/01/82/569150182.db2.gz OGINPIKLGLSTLQ-VWLOTQADSA-N 0 0 416.546 5.643 50 0 HKAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000006839144 569150217 /nfs/dbraw/zinc/15/02/17/569150217.db2.gz LDDURYHNTJPKPU-DEOSSOPVSA-N 0 0 418.518 5.035 50 0 HKAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)cc1 ZINC000006839146 569150193 /nfs/dbraw/zinc/15/01/93/569150193.db2.gz LDDURYHNTJPKPU-XMMPIXPASA-N 0 0 418.518 5.035 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000006839250 569150170 /nfs/dbraw/zinc/15/01/70/569150170.db2.gz ACUDYTHXJGHQKH-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000006839251 569150165 /nfs/dbraw/zinc/15/01/65/569150165.db2.gz ACUDYTHXJGHQKH-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1C ZINC000006839284 569150154 /nfs/dbraw/zinc/15/01/54/569150154.db2.gz FZCIGHFPGSWHBO-DEOSSOPVSA-N 0 0 420.509 5.473 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1C ZINC000006839286 569150212 /nfs/dbraw/zinc/15/02/12/569150212.db2.gz FZCIGHFPGSWHBO-XMMPIXPASA-N 0 0 420.509 5.473 50 0 HKAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000006839357 569150191 /nfs/dbraw/zinc/15/01/91/569150191.db2.gz VFKPKKSTZWSEAR-UHFFFAOYSA-N 0 0 409.511 5.169 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000006839460 569150289 /nfs/dbraw/zinc/15/02/89/569150289.db2.gz VAPYNZULKSDUGT-UHFFFAOYSA-N 0 0 407.395 5.810 50 0 HKAARN O=C(c1cc2ccccc2o1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000006839497 569150334 /nfs/dbraw/zinc/15/03/34/569150334.db2.gz FKWVFTMKBGSUJX-UHFFFAOYSA-N 0 0 411.501 5.221 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000006839547 569150381 /nfs/dbraw/zinc/15/03/81/569150381.db2.gz IPOXEHOHBAMQCG-UHFFFAOYSA-N 0 0 400.434 5.223 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000006839688 569151075 /nfs/dbraw/zinc/15/10/75/569151075.db2.gz KQSSXRFNOAOCNA-UHFFFAOYSA-N 0 0 416.449 5.089 50 0 HKAARN COc1ccccc1NC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 ZINC000006840062 569151301 /nfs/dbraw/zinc/15/13/01/569151301.db2.gz CJRYSNGSYCZBNR-UHFFFAOYSA-N 0 0 414.530 5.975 50 0 HKAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000006840843 569151658 /nfs/dbraw/zinc/15/16/58/569151658.db2.gz HUPBWISSTAATNM-UHFFFAOYSA-N 0 0 417.486 5.532 50 0 HKAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3)c1ccc(C(C)C)cc1 ZINC000006841062 569151768 /nfs/dbraw/zinc/15/17/68/569151768.db2.gz PEYCMNLXFAPQIT-UHFFFAOYSA-N 0 0 423.582 5.283 50 0 HKAARN Cc1ccc(Cn2c(-c3cc(Cl)ccc3O)cs/c2=N\c2ccccc2)cc1 ZINC000006841231 569151842 /nfs/dbraw/zinc/15/18/42/569151842.db2.gz RELAQZLTPQLDDW-BZZOAKBMSA-N 0 0 406.938 6.165 50 0 HKAARN Cc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)cs/c2=N\c2ccccc2)cc1 ZINC000006841234 569151871 /nfs/dbraw/zinc/15/18/71/569151871.db2.gz OEHLWNAMIQJKPF-QPLCGJKRSA-N 0 0 414.530 5.577 50 0 HKAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2cccs2)o1 ZINC000006842413 569152120 /nfs/dbraw/zinc/15/21/20/569152120.db2.gz OJVAFXCPXJMPJO-NSHDSACASA-N 0 0 401.542 5.115 50 0 HKAARN C[C@@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2cccs2)o1 ZINC000006842415 569152570 /nfs/dbraw/zinc/15/25/70/569152570.db2.gz OJVAFXCPXJMPJO-LLVKDONJSA-N 0 0 401.542 5.115 50 0 HKAARN CN(C)C(=O)[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000006843076 569152630 /nfs/dbraw/zinc/15/26/30/569152630.db2.gz LVLWQIVXAWYJAY-LJQANCHMSA-N 0 0 405.548 5.280 50 0 HKAARN CN(C)C(=O)[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000006843078 569152533 /nfs/dbraw/zinc/15/25/33/569152533.db2.gz LVLWQIVXAWYJAY-IBGZPJMESA-N 0 0 405.548 5.280 50 0 HKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)c1nnc(-c2cccs2)o1 ZINC000006843093 569152622 /nfs/dbraw/zinc/15/26/22/569152622.db2.gz QMGUYYCWXZCURT-AWEZNQCLSA-N 0 0 419.506 5.533 50 0 HKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)c1nnc(-c2cccs2)o1 ZINC000006843095 569152541 /nfs/dbraw/zinc/15/25/41/569152541.db2.gz QMGUYYCWXZCURT-CQSZACIVSA-N 0 0 419.506 5.533 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C)cc1C ZINC000006844130 557726504 /nfs/dbraw/zinc/72/65/04/557726504.db2.gz ICLWHIVVBVBPMI-UHFFFAOYSA-N 0 0 418.518 5.606 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000006844310 569153208 /nfs/dbraw/zinc/15/32/08/569153208.db2.gz OBYNHBAPDWRMAW-UHFFFAOYSA-N 0 0 400.909 6.102 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000006844316 569153210 /nfs/dbraw/zinc/15/32/10/569153210.db2.gz HDOBQZFRYXRGRA-UHFFFAOYSA-N 0 0 404.872 6.563 50 0 HKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000006844608 569153321 /nfs/dbraw/zinc/15/33/21/569153321.db2.gz PPVAUXFKSVXODK-OLZOCXBDSA-N 0 0 421.946 5.027 50 0 HKAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000006844609 569153336 /nfs/dbraw/zinc/15/33/36/569153336.db2.gz PPVAUXFKSVXODK-STQMWFEESA-N 0 0 421.946 5.027 50 0 HKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000006844626 569153323 /nfs/dbraw/zinc/15/33/23/569153323.db2.gz PPVAUXFKSVXODK-CHWSQXEVSA-N 0 0 421.946 5.027 50 0 HKAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000006844627 569153300 /nfs/dbraw/zinc/15/33/00/569153300.db2.gz PPVAUXFKSVXODK-QWHCGFSZSA-N 0 0 421.946 5.027 50 0 HKAARN CCOC(=O)c1c(NC(=O)N2C[C@@H](CC)Oc3ccccc32)sc2c1CCCC2 ZINC000006845510 132319055 /nfs/dbraw/zinc/31/90/55/132319055.db2.gz LNSAMTOKPKKTSS-CQSZACIVSA-N 0 0 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/nfs/dbraw/zinc/32/08/47/132320847.db2.gz QCDARXVZKVNVII-UHFFFAOYSA-N 0 0 420.534 5.201 50 0 HKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(NCc2ccco2)n1 ZINC000006918922 569181662 /nfs/dbraw/zinc/18/16/62/569181662.db2.gz SWZXFIMNIMRQCS-UHFFFAOYSA-N 0 0 419.506 5.338 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3noc(-c4ccc(OC)c(F)c4)n3)cc2)CC1 ZINC000006919007 569181660 /nfs/dbraw/zinc/18/16/60/569181660.db2.gz GPQLAOHVIZONBR-UHFFFAOYSA-N 0 0 422.544 7.405 50 0 HKAARN O=C(CSc1ccccc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000006919198 569181619 /nfs/dbraw/zinc/18/16/19/569181619.db2.gz UUYJGZFWDYWWQM-HSZRJFAPSA-N 0 0 410.466 5.269 50 0 HKAARN O=C(CSc1ccccc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000006919201 569181647 /nfs/dbraw/zinc/18/16/47/569181647.db2.gz UUYJGZFWDYWWQM-QHCPKHFHSA-N 0 0 410.466 5.269 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006919234 569181641 /nfs/dbraw/zinc/18/16/41/569181641.db2.gz GJLPYMDCZFGBED-AREMUKBSSA-N 0 0 409.533 6.273 50 0 aggregator HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006919235 569181638 /nfs/dbraw/zinc/18/16/38/569181638.db2.gz GJLPYMDCZFGBED-SANMLTNESA-N 0 0 409.533 6.273 50 0 aggregator HKAARN COc1cccc(NC(=O)[C@@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)c1 ZINC000006919523 568463782 /nfs/dbraw/zinc/46/37/82/568463782.db2.gz WLGZZZDQVYZMQV-QFIPXVFZSA-N 0 0 406.507 5.126 50 0 HKAARN COc1cccc(NC(=O)[C@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)c1 ZINC000006919526 569181661 /nfs/dbraw/zinc/18/16/61/569181661.db2.gz WLGZZZDQVYZMQV-JOCHJYFZSA-N 0 0 406.507 5.126 50 0 HKAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006919587 569181608 /nfs/dbraw/zinc/18/16/08/569181608.db2.gz ZDKUYDQVPQMGES-INIZCTEOSA-N 0 0 406.507 5.557 50 0 HKAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006919600 569181653 /nfs/dbraw/zinc/18/16/53/569181653.db2.gz ZDKUYDQVPQMGES-MRXNPFEDSA-N 0 0 406.507 5.557 50 0 HKAARN CCCC[C@@H](CC)COP(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC ZINC000006921184 557730071 /nfs/dbraw/zinc/73/00/71/557730071.db2.gz ILLOBGFGKYTZRO-WXFUMESZSA-N 0 0 418.643 8.912 50 0 HKAARN Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 ZINC000006922788 569182637 /nfs/dbraw/zinc/18/26/37/569182637.db2.gz XAWWUTYRMAJPDO-UHFFFAOYSA-N 0 0 417.512 5.931 50 0 HKAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)cc1 ZINC000006922828 569182628 /nfs/dbraw/zinc/18/26/28/569182628.db2.gz MOPGBKXVBPUFEL-CXUHLZMHSA-N 0 0 406.276 5.133 50 0 HKAARN Cc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000006923570 569182619 /nfs/dbraw/zinc/18/26/19/569182619.db2.gz KQRMXXIEEMYFQV-UHFFFAOYSA-N 0 0 400.396 5.444 50 0 HKAARN Cc1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 ZINC000006923588 569182592 /nfs/dbraw/zinc/18/25/92/569182592.db2.gz YYJZSGGIAMLBNS-NEWSRXKRSA-N 0 0 416.594 6.070 50 0 HKAARN Cc1ccc([C@@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 ZINC000006923589 569182623 /nfs/dbraw/zinc/18/26/23/569182623.db2.gz YYJZSGGIAMLBNS-NZSAHSFTSA-N 0 0 416.594 6.070 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc(C)c1C ZINC000006924586 557730287 /nfs/dbraw/zinc/73/02/87/557730287.db2.gz CSQNJVWHCOFNKP-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000006924739 569183231 /nfs/dbraw/zinc/18/32/31/569183231.db2.gz OFRKPTGVZYKVDB-RUDMXATFSA-N 0 0 419.333 5.701 50 0 HKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000006924744 557730260 /nfs/dbraw/zinc/73/02/60/557730260.db2.gz PCUPDGKDCHOTSW-SDNWHVSQSA-N 0 0 422.406 5.584 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000006924963 557730442 /nfs/dbraw/zinc/73/04/42/557730442.db2.gz QDYWNRZXNRZJDX-XUZZJYLKSA-N 0 0 418.880 5.101 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccccc2)cc1 ZINC000006924998 557730451 /nfs/dbraw/zinc/73/04/51/557730451.db2.gz QDYWNRZXNRZJDX-ZJSXRUAMSA-N 0 0 418.880 5.101 50 0 HKAARN Cn1nc(-c2ccccc2)c(CSc2c(F)c(F)c(F)c(F)c2F)c1Cl ZINC000006925445 569182641 /nfs/dbraw/zinc/18/26/41/569182641.db2.gz JSMIZBPNJAIZGL-UHFFFAOYSA-N 0 0 404.791 5.728 50 0 HKAARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2cccc(F)c2)CC1 ZINC000006927294 569183627 /nfs/dbraw/zinc/18/36/27/569183627.db2.gz XIUWNWKUBQXZDP-UHFFFAOYSA-N 0 0 420.553 5.171 50 0 HKAARN O=C1CS[C@H](c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006927687 569183609 /nfs/dbraw/zinc/18/36/09/569183609.db2.gz VIMGAGWGFWKMRY-QGZVFWFLSA-N 0 0 407.347 5.896 50 0 aggregator HKAARN O=C1CS[C@@H](c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006927752 569183726 /nfs/dbraw/zinc/18/37/26/569183726.db2.gz VIMGAGWGFWKMRY-KRWDZBQOSA-N 0 0 407.347 5.896 50 0 aggregator HKAARN Clc1cccc(Cl)c1Sc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000006927766 569183744 /nfs/dbraw/zinc/18/37/44/569183744.db2.gz SJWMCOAWQONGSW-UHFFFAOYSA-N 0 0 410.329 6.664 50 0 HKAARN O=C1CS[C@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000006927773 569183758 /nfs/dbraw/zinc/18/37/58/569183758.db2.gz PFPACCVVJRBMRB-HSZRJFAPSA-N 0 0 415.493 5.453 50 0 HKAARN O=C1CS[C@@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000006927774 569183748 /nfs/dbraw/zinc/18/37/48/569183748.db2.gz PFPACCVVJRBMRB-QHCPKHFHSA-N 0 0 415.493 5.453 50 0 HKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C1CCCCC1 ZINC000006927924 569183843 /nfs/dbraw/zinc/18/38/43/569183843.db2.gz ZPDTXRRWTFBHQB-UHFFFAOYSA-N 0 0 409.533 5.889 50 0 HKAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N1CCCc2ccccc21 ZINC000006928432 132320936 /nfs/dbraw/zinc/32/09/36/132320936.db2.gz GNDNHEHFWSVXEG-UHFFFAOYSA-N 0 0 400.956 5.535 50 0 HKAARN Cc1nc2sc3c(c2c(SCc2nnc(-c4cccs4)o2)n1)CCCC3 ZINC000006928515 569183809 /nfs/dbraw/zinc/18/38/09/569183809.db2.gz KMWCMIPFKKECEU-UHFFFAOYSA-N 0 0 400.554 5.282 50 0 HKAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1ccccc1Br ZINC000006931082 569184210 /nfs/dbraw/zinc/18/42/10/569184210.db2.gz LXUZHYYFQZIGSM-UHFFFAOYSA-N 0 0 406.073 5.584 50 0 HKAARN CCc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000006931306 569184337 /nfs/dbraw/zinc/18/43/37/569184337.db2.gz KZTQPFUCCUGZMZ-NRFANRHFSA-N 0 0 416.502 5.363 50 0 HKAARN CCc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000006931318 569184348 /nfs/dbraw/zinc/18/43/48/569184348.db2.gz KZTQPFUCCUGZMZ-OAQYLSRUSA-N 0 0 416.502 5.363 50 0 HKAARN CCCn1c(C)cc(-c2csc(NC(=O)Cc3cccc4ccccc43)n2)c1C ZINC000006931489 568464681 /nfs/dbraw/zinc/46/46/81/568464681.db2.gz STFYECOXKGEOCN-UHFFFAOYSA-N 0 0 403.551 5.973 50 0 HKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000006931496 132320953 /nfs/dbraw/zinc/32/09/53/132320953.db2.gz YCKOZJDROODPCJ-UHFFFAOYSA-N 0 0 419.015 5.089 50 0 HKAARN CC[C@@H](C)Nc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000006933927 557730661 /nfs/dbraw/zinc/73/06/61/557730661.db2.gz NPFZPGVSSIKIPF-CQSZACIVSA-N 0 0 404.919 5.347 50 0 HKAARN CC[C@H](C)Nc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000006934253 557730876 /nfs/dbraw/zinc/73/08/76/557730876.db2.gz NPFZPGVSSIKIPF-AWEZNQCLSA-N 0 0 404.919 5.347 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 ZINC000006934466 569184618 /nfs/dbraw/zinc/18/46/18/569184618.db2.gz ABVZAKISOAVYFQ-UHFFFAOYSA-N 0 0 415.902 5.093 50 0 HKAARN CCc1ccc2nc(NC(=O)COc3ccccc3C3SCCS3)sc2c1 ZINC000006934727 569184996 /nfs/dbraw/zinc/18/49/96/569184996.db2.gz AOKCWQJIMABMFJ-UHFFFAOYSA-N 0 0 416.593 5.355 50 0 HKAARN CCc1ccc2nc(NC(=O)c3c(C)oc4c3c(F)c(F)c(F)c4F)sc2c1 ZINC000006934739 569184994 /nfs/dbraw/zinc/18/49/94/569184994.db2.gz WVMKKSBXFRSTJX-UHFFFAOYSA-N 0 0 408.376 5.722 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCc2c(Cl)cccc2Cl)n1 ZINC000006935315 569186072 /nfs/dbraw/zinc/18/60/72/569186072.db2.gz WRUSNSRINGPVEF-UHFFFAOYSA-N 0 0 417.361 6.550 50 0 HKAARN COc1ccc(Cl)cc1Nc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C ZINC000006935477 569186195 /nfs/dbraw/zinc/18/61/95/569186195.db2.gz HOESREZDFRPDFC-UHFFFAOYSA-N 0 0 414.296 5.491 50 0 HKAARN O=C(Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935556 569186243 /nfs/dbraw/zinc/18/62/43/569186243.db2.gz GPNJWWVLRSUWPK-UHFFFAOYSA-N 0 0 401.844 5.460 50 0 HKAARN COc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935578 569186192 /nfs/dbraw/zinc/18/61/92/569186192.db2.gz YIFPLLFMGRIWKL-ISKFKSNPSA-N 0 0 420.940 5.696 50 0 HKAARN COc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935581 569186184 /nfs/dbraw/zinc/18/61/84/569186184.db2.gz YIFPLLFMGRIWKL-VWNXMTODSA-N 0 0 420.940 5.696 50 0 HKAARN COc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935584 569186168 /nfs/dbraw/zinc/18/61/68/569186168.db2.gz YIFPLLFMGRIWKL-LADGPHEKSA-N 0 0 420.940 5.696 50 0 HKAARN COc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935587 569186208 /nfs/dbraw/zinc/18/62/08/569186208.db2.gz YIFPLLFMGRIWKL-UPVQGACJSA-N 0 0 420.940 5.696 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935603 569186240 /nfs/dbraw/zinc/18/62/40/569186240.db2.gz WEZUQNYWLLSQED-UHFFFAOYSA-N 0 0 409.917 5.581 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935604 569186172 /nfs/dbraw/zinc/18/61/72/569186172.db2.gz OJLDYDLHHKPMBI-UHFFFAOYSA-N 0 0 409.917 5.581 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935607 569186239 /nfs/dbraw/zinc/18/62/39/569186239.db2.gz OTFASSQFDNGHQR-UHFFFAOYSA-N 0 0 409.917 5.499 50 0 HKAARN CC(C)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935614 569186231 /nfs/dbraw/zinc/18/62/31/569186231.db2.gz LWQIZUJXNWNBOE-UHFFFAOYSA-N 0 0 407.945 6.306 50 0 HKAARN CCOc1ccccc1CNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935623 569186180 /nfs/dbraw/zinc/18/61/80/569186180.db2.gz QEQXOMFANIYAGM-UHFFFAOYSA-N 0 0 423.944 5.259 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935635 569186190 /nfs/dbraw/zinc/18/61/90/569186190.db2.gz ZQAQLUICJQNFNI-NRFANRHFSA-N 0 0 419.956 5.737 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935639 569186219 /nfs/dbraw/zinc/18/62/19/569186219.db2.gz ZQAQLUICJQNFNI-OAQYLSRUSA-N 0 0 419.956 5.737 50 0 HKAARN CSc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000006935647 569186188 /nfs/dbraw/zinc/18/61/88/569186188.db2.gz XYYLYRHREKFFNP-UHFFFAOYSA-N 0 0 411.958 5.904 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935671 569186325 /nfs/dbraw/zinc/18/63/25/569186325.db2.gz MHPRQONJZZBPKQ-UHFFFAOYSA-N 0 0 407.901 5.385 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000006935678 568464700 /nfs/dbraw/zinc/46/47/00/568464700.db2.gz IJRLUWDPAOXTDH-UHFFFAOYSA-N 0 0 407.901 5.385 50 0 HKAARN O=C(Nc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935698 569186398 /nfs/dbraw/zinc/18/63/98/569186398.db2.gz RXCILHMPDXQMKF-UHFFFAOYSA-N 0 0 401.844 5.460 50 0 HKAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCCc2ccccc21 ZINC000006935791 132321042 /nfs/dbraw/zinc/32/10/42/132321042.db2.gz ZAEVSAHHWUBJSH-UHFFFAOYSA-N 0 0 405.929 5.523 50 0 HKAARN CCCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1C ZINC000006935833 569186410 /nfs/dbraw/zinc/18/64/10/569186410.db2.gz BJCQSMDHJBXFMI-UHFFFAOYSA-N 0 0 421.972 6.295 50 0 HKAARN CCc1ccc(N(CC)C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935837 569186359 /nfs/dbraw/zinc/18/63/59/569186359.db2.gz CTQXPIDAZVTOBY-UHFFFAOYSA-N 0 0 421.972 6.159 50 0 HKAARN COc1ccc(C)cc1N(C)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935845 569186394 /nfs/dbraw/zinc/18/63/94/569186394.db2.gz RGPVLUWCWQUJSS-UHFFFAOYSA-N 0 0 423.944 5.524 50 0 HKAARN Cc1ccc(N(C)C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1C ZINC000006935848 569186392 /nfs/dbraw/zinc/18/63/92/569186392.db2.gz KCBIDZRVISITEQ-UHFFFAOYSA-N 0 0 407.945 5.823 50 0 HKAARN CCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1cccc(C)c1 ZINC000006935852 569186368 /nfs/dbraw/zinc/18/63/68/569186368.db2.gz ULQLOWGNCBJHTP-UHFFFAOYSA-N 0 0 407.945 5.905 50 0 HKAARN Cc1ccc(C)c(N(C)C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000006935855 569186433 /nfs/dbraw/zinc/18/64/33/569186433.db2.gz VVVSRLJSETXMLR-UHFFFAOYSA-N 0 0 407.945 5.823 50 0 HKAARN CCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1C ZINC000006935860 569186439 /nfs/dbraw/zinc/18/64/39/569186439.db2.gz QLVHKEQFWWIVKM-UHFFFAOYSA-N 0 0 407.945 5.905 50 0 HKAARN CCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1cc(C)ccc1C ZINC000006935863 569186401 /nfs/dbraw/zinc/18/64/01/569186401.db2.gz UVTXKCMLRVXIOG-UHFFFAOYSA-N 0 0 421.972 6.213 50 0 HKAARN CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935879 569186387 /nfs/dbraw/zinc/18/63/87/569186387.db2.gz NCIHGCDORSXZPJ-UHFFFAOYSA-N 0 0 407.945 5.592 50 0 HKAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCc2ccccc2C1 ZINC000006935887 569186357 /nfs/dbraw/zinc/18/63/57/569186357.db2.gz WEDYVPXKITVCEH-UHFFFAOYSA-N 0 0 405.929 5.128 50 0 HKAARN CC(C)N(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935894 569186438 /nfs/dbraw/zinc/18/64/38/569186438.db2.gz HGRIIQKTUCESGO-UHFFFAOYSA-N 0 0 421.972 5.981 50 0 HKAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CC[C@@H](c2ccccc2)C1 ZINC000006935898 569186424 /nfs/dbraw/zinc/18/64/24/569186424.db2.gz KBNXYACAVYFVQI-HXUWFJFHSA-N 0 0 419.956 5.560 50 0 HKAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CC[C@H](c2ccccc2)C1 ZINC000006935902 569186441 /nfs/dbraw/zinc/18/64/41/569186441.db2.gz KBNXYACAVYFVQI-FQEVSTJZSA-N 0 0 419.956 5.560 50 0 HKAARN CCc1ccccc1N(CC)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935910 569186407 /nfs/dbraw/zinc/18/64/07/569186407.db2.gz FWFLLTHWYKABLW-UHFFFAOYSA-N 0 0 421.972 6.159 50 0 HKAARN Cc1nc2ccccc2c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000006936066 569186436 /nfs/dbraw/zinc/18/64/36/569186436.db2.gz DXHLPDILDQXIAF-UHFFFAOYSA-N 0 0 413.546 5.259 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000006937620 569185249 /nfs/dbraw/zinc/18/52/49/569185249.db2.gz NQJDQUFCBPCSPX-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN C[C@H](OC(=O)c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 ZINC000006938126 569185302 /nfs/dbraw/zinc/18/53/02/569185302.db2.gz OVHPFONXWKKMNF-KRWDZBQOSA-N 0 0 400.434 5.234 50 0 HKAARN C[C@@H](OC(=O)c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 ZINC000006938129 569185357 /nfs/dbraw/zinc/18/53/57/569185357.db2.gz OVHPFONXWKKMNF-QGZVFWFLSA-N 0 0 400.434 5.234 50 0 HKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2ccccc2)o1 ZINC000006938132 568464813 /nfs/dbraw/zinc/46/48/13/568464813.db2.gz YMIRMODDQOUMCI-HNNXBMFYSA-N 0 0 419.554 5.683 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2ccccc2)o1 ZINC000006938134 569185337 /nfs/dbraw/zinc/18/53/37/569185337.db2.gz YMIRMODDQOUMCI-OAHLLOKOSA-N 0 0 419.554 5.683 50 0 HKAARN CSc1ncc(C(=O)Nc2ccc(Br)c(C)c2)c(-c2ccccc2)n1 ZINC000006938168 569185365 /nfs/dbraw/zinc/18/53/65/569185365.db2.gz UCXKQNZSJUBNRV-UHFFFAOYSA-N 0 0 414.328 5.189 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc(C)c(NC(=O)Nc3cccc(OC)c3)c2)c1 ZINC000006938389 569185295 /nfs/dbraw/zinc/18/52/95/569185295.db2.gz ZFMBHVSAUVHWAV-UHFFFAOYSA-N 0 0 420.469 5.300 50 0 HKAARN Cc1cc(C(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 ZINC000006938831 569185374 /nfs/dbraw/zinc/18/53/74/569185374.db2.gz PVRXCINKTZUTCK-UHFFFAOYSA-N 0 0 408.350 6.169 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000006939685 569185445 /nfs/dbraw/zinc/18/54/45/569185445.db2.gz BHTVJEQWCFBGKC-UHFFFAOYSA-N 0 0 420.900 5.194 50 0 HKAARN Cc1nnc(SCCSc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000006939762 569185468 /nfs/dbraw/zinc/18/54/68/569185468.db2.gz ZQCLJWXZQOILAY-UHFFFAOYSA-N 0 0 401.523 5.995 50 0 HKAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1Cl ZINC000006939775 569185491 /nfs/dbraw/zinc/18/54/91/569185491.db2.gz NDDAVLSZIJYLKU-UHFFFAOYSA-N 0 0 420.900 5.194 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000006939779 569185450 /nfs/dbraw/zinc/18/54/50/569185450.db2.gz KHCUNXCQHFCDBU-UHFFFAOYSA-N 0 0 420.900 5.194 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N(Cc1ccccc1)C(C)C ZINC000006939790 569185574 /nfs/dbraw/zinc/18/55/74/569185574.db2.gz DOYRLKFREWDDBQ-UHFFFAOYSA-N 0 0 412.537 5.331 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000006940082 569185592 /nfs/dbraw/zinc/18/55/92/569185592.db2.gz CRJBWUSTAAMUSW-UHFFFAOYSA-N 0 0 408.864 5.325 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006940085 569185559 /nfs/dbraw/zinc/18/55/59/569185559.db2.gz BVSDKIXEINWUOO-UHFFFAOYSA-N 0 0 408.864 5.325 50 0 HKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000006940105 569185543 /nfs/dbraw/zinc/18/55/43/569185543.db2.gz YYZQIHSLQYUQHW-UHFFFAOYSA-N 0 0 408.231 6.625 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000006940112 569185563 /nfs/dbraw/zinc/18/55/63/569185563.db2.gz QYHBXIFVZPSXIJ-UHFFFAOYSA-N 0 0 406.486 5.085 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000006940180 569185558 /nfs/dbraw/zinc/18/55/58/569185558.db2.gz RCVOBDUCHIHETD-UHFFFAOYSA-N 0 0 408.864 5.325 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000006940236 569185577 /nfs/dbraw/zinc/18/55/77/569185577.db2.gz JRCZDIDGZNZBBF-UHFFFAOYSA-N 0 0 402.473 5.288 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000006940252 569185697 /nfs/dbraw/zinc/18/56/97/569185697.db2.gz DOZPIYFLWGHBFX-UHFFFAOYSA-N 0 0 402.473 5.486 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N(Cc1ccccc1)C(C)C ZINC000006940287 569185710 /nfs/dbraw/zinc/18/57/10/569185710.db2.gz YOCKWJRYZRBLBH-UHFFFAOYSA-N 0 0 416.500 5.161 50 0 HKAARN COc1ccc(-c2cnnn2-c2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000006940623 569185696 /nfs/dbraw/zinc/18/56/96/569185696.db2.gz ZMHRVRRGLNTHPY-UHFFFAOYSA-N 0 0 410.502 5.733 50 0 HKAARN Cc1c(C(=O)NCc2ccccc2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006940688 569185677 /nfs/dbraw/zinc/18/56/77/569185677.db2.gz AEVWRABVPKHHLP-GOSISDBHSA-N 0 0 405.494 5.190 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006940692 569185685 /nfs/dbraw/zinc/18/56/85/569185685.db2.gz AEVWRABVPKHHLP-SFHVURJKSA-N 0 0 405.494 5.190 50 0 biogenic HKAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006940694 569186534 /nfs/dbraw/zinc/18/65/34/569186534.db2.gz CQSHFWWUYYLBPG-LJQANCHMSA-N 0 0 419.521 5.233 50 0 biogenic HKAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006940698 569186529 /nfs/dbraw/zinc/18/65/29/569186529.db2.gz CQSHFWWUYYLBPG-IBGZPJMESA-N 0 0 419.521 5.233 50 0 biogenic HKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006940702 569186501 /nfs/dbraw/zinc/18/65/01/569186501.db2.gz CGBZXAPIXXQGOE-LJQANCHMSA-N 0 0 423.553 5.880 50 0 biogenic HKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006940706 569186509 /nfs/dbraw/zinc/18/65/09/569186509.db2.gz CGBZXAPIXXQGOE-IBGZPJMESA-N 0 0 423.553 5.880 50 0 biogenic HKAARN Cc1c(C(=O)NCc2cccc(F)c2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006940718 569186532 /nfs/dbraw/zinc/18/65/32/569186532.db2.gz SQFINRZALHDEGZ-GOSISDBHSA-N 0 0 423.484 5.329 50 0 biogenic HKAARN Cc1c(C(=O)NCc2cccc(F)c2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006940721 569186506 /nfs/dbraw/zinc/18/65/06/569186506.db2.gz SQFINRZALHDEGZ-SFHVURJKSA-N 0 0 423.484 5.329 50 0 biogenic HKAARN COc1cc(OC)c(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000006940800 569186535 /nfs/dbraw/zinc/18/65/35/569186535.db2.gz HCIBOFMYCXRYNI-UHFFFAOYSA-N 0 0 411.889 5.160 50 0 HKAARN Fc1ccc(Sc2ccc(Cl)cc2NC(=S)NCc2ccccc2)cc1 ZINC000006940821 569186503 /nfs/dbraw/zinc/18/65/03/569186503.db2.gz FOZBBLYBWKRTQR-UHFFFAOYSA-N 0 0 402.947 6.117 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000006940824 569186516 /nfs/dbraw/zinc/18/65/16/569186516.db2.gz ATOHIMVXSBYDOV-UHFFFAOYSA-N 0 0 414.278 5.391 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000006940830 569186511 /nfs/dbraw/zinc/18/65/11/569186511.db2.gz GGKCOINKHFDRMW-UHFFFAOYSA-N 0 0 415.902 5.093 50 0 HKAARN Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)ccc1Br ZINC000006940860 569186496 /nfs/dbraw/zinc/18/64/96/569186496.db2.gz VIAYIOGTVIOEIK-UHFFFAOYSA-N 0 0 410.315 5.560 50 0 aggregator HKAARN COc1cccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1 ZINC000006940878 569186491 /nfs/dbraw/zinc/18/64/91/569186491.db2.gz QHAWIJNOPZTBEV-UHFFFAOYSA-N 0 0 414.461 5.490 50 0 HKAARN COc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000006940881 569186499 /nfs/dbraw/zinc/18/64/99/569186499.db2.gz ZZPLLPWKBIOLNM-UHFFFAOYSA-N 0 0 414.461 5.490 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)nc1COc1ccccc1 ZINC000006940890 569186517 /nfs/dbraw/zinc/18/65/17/569186517.db2.gz YYAVFSUQYSXISC-UHFFFAOYSA-N 0 0 418.880 6.135 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc1COc1ccccc1 ZINC000006940893 569186490 /nfs/dbraw/zinc/18/64/90/569186490.db2.gz IWJDSZREKRPSDH-UHFFFAOYSA-N 0 0 404.510 5.682 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)nc1COc1ccccc1 ZINC000006940899 569186498 /nfs/dbraw/zinc/18/64/98/569186498.db2.gz LGKDTOSDUTZBGM-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc(-c2nc(COc3ccccc3)c(C)o2)cc1 ZINC000006940905 569186519 /nfs/dbraw/zinc/18/65/19/569186519.db2.gz SSBKUZQSSPHFGY-UHFFFAOYSA-N 0 0 412.489 6.044 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)cc1 ZINC000006940908 569186521 /nfs/dbraw/zinc/18/65/21/569186521.db2.gz IBJMZBXBBSKFKD-UHFFFAOYSA-N 0 0 412.489 6.044 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3F)cc2)nc1COc1ccccc1 ZINC000006940911 569186527 /nfs/dbraw/zinc/18/65/27/569186527.db2.gz RSFKQRVKFBTWMN-UHFFFAOYSA-N 0 0 402.425 5.620 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)nc1COc1ccccc1 ZINC000006940917 569186586 /nfs/dbraw/zinc/18/65/86/569186586.db2.gz AEFZJCKRONUHKL-UHFFFAOYSA-N 0 0 402.425 5.620 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1COc1ccccc1 ZINC000006940921 569186654 /nfs/dbraw/zinc/18/66/54/569186654.db2.gz SZOCFMNYADLKOQ-UHFFFAOYSA-N 0 0 402.425 5.620 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)nc1COc1ccccc1 ZINC000006940928 569186593 /nfs/dbraw/zinc/18/65/93/569186593.db2.gz IJCRXJZRVOCLAN-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc1COc1ccccc1 ZINC000006940936 569186657 /nfs/dbraw/zinc/18/66/57/569186657.db2.gz QPASODPDURKYON-SFHVURJKSA-N 0 0 412.489 5.720 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc1COc1ccccc1 ZINC000006940940 568465100 /nfs/dbraw/zinc/46/51/00/568465100.db2.gz QPASODPDURKYON-GOSISDBHSA-N 0 0 412.489 5.720 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)nc1COc1ccccc1 ZINC000006940948 569186647 /nfs/dbraw/zinc/18/66/47/569186647.db2.gz CMTFGQPYBPHHHF-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1COc1ccccc1 ZINC000006940958 569186641 /nfs/dbraw/zinc/18/66/41/569186641.db2.gz WIEUNEHKJZCWHK-UHFFFAOYSA-N 0 0 416.452 5.298 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)nc1COc1ccccc1 ZINC000006940961 569186580 /nfs/dbraw/zinc/18/65/80/569186580.db2.gz KGZGYQQBOUABHK-IUKKYPGJSA-N 0 0 418.537 5.784 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)nc1COc1ccccc1 ZINC000006940966 569186638 /nfs/dbraw/zinc/18/66/38/569186638.db2.gz KGZGYQQBOUABHK-IEGUWTFLSA-N 0 0 418.537 5.784 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3cccs3)cc2)nc1COc1ccccc1 ZINC000006940974 568465110 /nfs/dbraw/zinc/46/51/10/568465110.db2.gz ZGPQWBOCDVRWCK-UHFFFAOYSA-N 0 0 404.491 5.221 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1COc1ccccc1 ZINC000006940977 569186633 /nfs/dbraw/zinc/18/66/33/569186633.db2.gz AJUFYZKGWZHLSY-UHFFFAOYSA-N 0 0 416.521 5.849 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)nc1COc1ccccc1 ZINC000006940980 569186621 /nfs/dbraw/zinc/18/66/21/569186621.db2.gz BEMXQROJFKDLRU-UHFFFAOYSA-N 0 0 416.452 5.929 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(-c2nc(COc3ccccc3)c(C)o2)cc1 ZINC000006940991 568465191 /nfs/dbraw/zinc/46/51/91/568465191.db2.gz GQXRXIPFLVMTDF-UHFFFAOYSA-N 0 0 414.461 5.490 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nc1COc1ccccc1 ZINC000006940994 568465206 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Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c(C)n1C1CC1 ZINC000007138139 569225753 /nfs/dbraw/zinc/22/57/53/569225753.db2.gz IMNROZQQWHILTM-AWEZNQCLSA-N 0 0 415.490 5.077 50 0 HKAARN C[C@H](Oc1ccccc1F)c1nnc(SCc2ccc(-c3ccccc3)cc2)o1 ZINC000007138211 569225724 /nfs/dbraw/zinc/22/57/24/569225724.db2.gz LKEJOIRYLTZEQJ-INIZCTEOSA-N 0 0 406.482 6.308 50 0 HKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCc2ccc(-c3ccccc3)cc2)o1 ZINC000007138216 569225723 /nfs/dbraw/zinc/22/57/23/569225723.db2.gz LKEJOIRYLTZEQJ-MRXNPFEDSA-N 0 0 406.482 6.308 50 0 HKAARN Cc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n(C2CCCC2)c1C ZINC000007139929 569225746 /nfs/dbraw/zinc/22/57/46/569225746.db2.gz YUZFWRGQMNMDMQ-UHFFFAOYSA-N 0 0 419.594 5.613 50 0 HKAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nc(C)c(C)n3C3CCCC3)c2C)no1 ZINC000007140244 569225761 /nfs/dbraw/zinc/22/57/61/569225761.db2.gz GNMGREJQQDZDKS-UHFFFAOYSA-N 0 0 412.559 5.294 50 0 HKAARN Cc1nc(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n(C2CCCC2)c1C ZINC000007140266 569225742 /nfs/dbraw/zinc/22/57/42/569225742.db2.gz MMMIWFFWZGHFHA-CQSZACIVSA-N 0 0 402.589 5.383 50 0 HKAARN Cc1nc(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n(C2CCCC2)c1C ZINC000007140269 569225759 /nfs/dbraw/zinc/22/57/59/569225759.db2.gz MMMIWFFWZGHFHA-AWEZNQCLSA-N 0 0 402.589 5.383 50 0 HKAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000007141106 569225521 /nfs/dbraw/zinc/22/55/21/569225521.db2.gz LNCOMNLIINGQGT-UHFFFAOYSA-N 0 0 421.496 5.740 50 0 HKAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000007141113 569225539 /nfs/dbraw/zinc/22/55/39/569225539.db2.gz LFRCZQRGFBLJKX-MRXNPFEDSA-N 0 0 403.507 5.783 50 0 HKAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCc4ccccc4F)cc3)ccc12 ZINC000007141120 569225589 /nfs/dbraw/zinc/22/55/89/569225589.db2.gz QIFGCTNEOTVCMB-UHFFFAOYSA-N 0 0 418.420 5.177 50 0 HKAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000007141165 569225599 /nfs/dbraw/zinc/22/55/99/569225599.db2.gz QKCXBWJFIAIRSX-XLIONFOSSA-N 0 0 406.551 5.796 50 0 HKAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000007141166 569225557 /nfs/dbraw/zinc/22/55/57/569225557.db2.gz QKCXBWJFIAIRSX-PXNSSMCTSA-N 0 0 406.551 5.796 50 0 HKAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000007141167 569225596 /nfs/dbraw/zinc/22/55/96/569225596.db2.gz QKCXBWJFIAIRSX-YLJYHZDGSA-N 0 0 406.551 5.796 50 0 HKAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000007141168 569225585 /nfs/dbraw/zinc/22/55/85/569225585.db2.gz QKCXBWJFIAIRSX-FXAWDEMLSA-N 0 0 406.551 5.796 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000007141184 569225566 /nfs/dbraw/zinc/22/55/66/569225566.db2.gz XLBLTWGQIUTMGC-QHCPKHFHSA-N 0 0 420.896 5.105 50 0 HKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000007141185 569225519 /nfs/dbraw/zinc/22/55/19/569225519.db2.gz XLBLTWGQIUTMGC-HSZRJFAPSA-N 0 0 420.896 5.105 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)n(-c2ccccn2)n1 ZINC000007141273 569225766 /nfs/dbraw/zinc/22/57/66/569225766.db2.gz ZJZOWIGCPDHJIB-UHFFFAOYSA-N 0 0 411.490 5.105 50 0 HKAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc2cc(C)ccc2[nH]1)c1ccccc1 ZINC000007141285 569225600 /nfs/dbraw/zinc/22/56/00/569225600.db2.gz GDXXIPLAQZMYET-QFIPXVFZSA-N 0 0 417.534 5.742 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(Cl)c2)cc1 ZINC000007141378 569226232 /nfs/dbraw/zinc/22/62/32/569226232.db2.gz RSSWEVXIBWYQSD-QHCPKHFHSA-N 0 0 420.896 5.105 50 0 HKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(Cl)c2)cc1 ZINC000007141379 569226217 /nfs/dbraw/zinc/22/62/17/569226217.db2.gz RSSWEVXIBWYQSD-HSZRJFAPSA-N 0 0 420.896 5.105 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1 ZINC000007141422 569226212 /nfs/dbraw/zinc/22/62/12/569226212.db2.gz CGVCGIVHKXRKTQ-UHFFFAOYSA-N 0 0 403.103 5.390 50 0 HKAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007141475 569226248 /nfs/dbraw/zinc/22/62/48/569226248.db2.gz PMZDFGSXIXROHJ-DJCSNXPJSA-N 0 0 418.912 5.319 50 0 HKAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000007141476 569226250 /nfs/dbraw/zinc/22/62/50/569226250.db2.gz PMZDFGSXIXROHJ-VALILCMLSA-N 0 0 418.912 5.319 50 0 HKAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1 ZINC000007150842 569226620 /nfs/dbraw/zinc/22/66/20/569226620.db2.gz XQAJZKLNVWLAQK-QHCPKHFHSA-N 0 0 411.530 5.409 50 0 HKAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1 ZINC000007150845 569226661 /nfs/dbraw/zinc/22/66/61/569226661.db2.gz XQAJZKLNVWLAQK-HSZRJFAPSA-N 0 0 411.530 5.409 50 0 HKAARN Cc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1C ZINC000007151070 569226659 /nfs/dbraw/zinc/22/66/59/569226659.db2.gz MOVXLDPJYPCPTL-UHFFFAOYSA-N 0 0 402.903 5.460 50 0 HKAARN CCn1c2ccccc2nc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000007153842 569226720 /nfs/dbraw/zinc/22/67/20/569226720.db2.gz VTOFVNRYUYMCAW-UHFFFAOYSA-N 0 0 411.552 5.489 50 0 HKAARN CCn1c2ccccc2nc1SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007153955 569226762 /nfs/dbraw/zinc/22/67/62/569226762.db2.gz UKZFEOUTZUHBDC-NRFANRHFSA-N 0 0 407.564 5.116 50 0 HKAARN CCn1c2ccccc2nc1SCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000007153956 569226752 /nfs/dbraw/zinc/22/67/52/569226752.db2.gz UKZFEOUTZUHBDC-OAQYLSRUSA-N 0 0 407.564 5.116 50 0 HKAARN O=C(Nc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1)c1ccccc1Cl ZINC000007155743 569225866 /nfs/dbraw/zinc/22/58/66/569225866.db2.gz XWFMZDSTQLNDCN-WOJGMQOQSA-N 0 0 409.272 5.738 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2Cl)cc1 ZINC000007156383 569225892 /nfs/dbraw/zinc/22/58/92/569225892.db2.gz PIRZDQWUGWLDQH-QFIPXVFZSA-N 0 0 420.896 5.105 50 0 HKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2Cl)cc1 ZINC000007156387 569225897 /nfs/dbraw/zinc/22/58/97/569225897.db2.gz PIRZDQWUGWLDQH-JOCHJYFZSA-N 0 0 420.896 5.105 50 0 HKAARN C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000007157192 569225964 /nfs/dbraw/zinc/22/59/64/569225964.db2.gz QUMCRWBVDDBGEG-PXRHCINRSA-N 0 0 404.963 5.294 50 0 HKAARN C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000007157194 569225946 /nfs/dbraw/zinc/22/59/46/569225946.db2.gz QUMCRWBVDDBGEG-CSNVJCEJSA-N 0 0 404.963 5.294 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2cccc(C)c2)cc1 ZINC000007158110 569225950 /nfs/dbraw/zinc/22/59/50/569225950.db2.gz QAMITRVVFSAHRG-IBGZPJMESA-N 0 0 420.582 5.044 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2cccc(C)c2)cc1 ZINC000007158112 569225976 /nfs/dbraw/zinc/22/59/76/569225976.db2.gz QAMITRVVFSAHRG-LJQANCHMSA-N 0 0 420.582 5.044 50 0 HKAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2Nc2nc3ccccc3o2)c1 ZINC000007158137 569225941 /nfs/dbraw/zinc/22/59/41/569225941.db2.gz XKADQUWVLVKKKT-UHFFFAOYSA-N 0 0 400.356 6.391 50 0 HKAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007158476 569226009 /nfs/dbraw/zinc/22/60/09/569226009.db2.gz FWYKFQIPAKSNKL-BALBBAFXSA-N 0 0 423.984 6.522 50 0 HKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007158477 569225923 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6.910 50 0 HKAARN C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007159276 569226041 /nfs/dbraw/zinc/22/60/41/569226041.db2.gz OQDGBKNBONCJBG-UQBPGWFLSA-N 0 0 413.517 5.022 50 0 HKAARN C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007159282 569226070 /nfs/dbraw/zinc/22/60/70/569226070.db2.gz OQDGBKNBONCJBG-KBMIEXCESA-N 0 0 413.517 5.022 50 0 HKAARN C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007159285 569226096 /nfs/dbraw/zinc/22/60/96/569226096.db2.gz OQDGBKNBONCJBG-DFBJGRDBSA-N 0 0 413.517 5.022 50 0 HKAARN C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007159289 569226029 /nfs/dbraw/zinc/22/60/29/569226029.db2.gz OQDGBKNBONCJBG-CLOONOSVSA-N 0 0 413.517 5.022 50 0 HKAARN Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(Br)s3)o2)c1 ZINC000007159650 569226076 /nfs/dbraw/zinc/22/60/76/569226076.db2.gz URDMPPJGXMXZLU-UHFFFAOYSA-N 0 0 409.330 5.152 50 0 HKAARN CC(=O)Nc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1 ZINC000007160057 569226017 /nfs/dbraw/zinc/22/60/17/569226017.db2.gz YESVKLOSBCNQOG-UHFFFAOYSA-N 0 0 412.445 5.424 50 0 HKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000007160786 569226716 /nfs/dbraw/zinc/22/67/16/569226716.db2.gz LDBZPIOGYLBXSC-CHWSQXEVSA-N 0 0 417.456 5.107 50 0 HKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000007160788 569226750 /nfs/dbraw/zinc/22/67/50/569226750.db2.gz LDBZPIOGYLBXSC-QWHCGFSZSA-N 0 0 417.456 5.107 50 0 HKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000007160790 569226732 /nfs/dbraw/zinc/22/67/32/569226732.db2.gz LDBZPIOGYLBXSC-OLZOCXBDSA-N 0 0 417.456 5.107 50 0 HKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000007160792 569226897 /nfs/dbraw/zinc/22/68/97/569226897.db2.gz LDBZPIOGYLBXSC-STQMWFEESA-N 0 0 417.456 5.107 50 0 HKAARN CCN(C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000007160839 569226863 /nfs/dbraw/zinc/22/68/63/569226863.db2.gz 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CCc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000007986832 568964851 /nfs/dbraw/zinc/96/48/51/568964851.db2.gz GTISGTDQHYRZKF-UHFFFAOYSA-N 0 0 402.494 5.081 50 0 HKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCCC4)cc3c2C1 ZINC000007986974 568965037 /nfs/dbraw/zinc/96/50/37/568965037.db2.gz GAEPEPSNCXGLPS-OAHLLOKOSA-N 0 0 407.945 5.799 50 0 HKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCCC4)cc3c2C1 ZINC000007986975 568965050 /nfs/dbraw/zinc/96/50/50/568965050.db2.gz GAEPEPSNCXGLPS-HNNXBMFYSA-N 0 0 407.945 5.799 50 0 HKAARN Cc1cc2occ(CC(=O)Oc3ccccc3-c3nc4ccccc4s3)c2cc1C ZINC000007986978 568965122 /nfs/dbraw/zinc/96/51/22/568965122.db2.gz MJAKRIQHZORWHD-UHFFFAOYSA-N 0 0 413.498 6.474 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)on2)cc1 ZINC000007987028 568965095 /nfs/dbraw/zinc/96/50/95/568965095.db2.gz VJSWYHCKIUSDBN-LJQANCHMSA-N 0 0 418.522 5.035 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)CN3CCC[C@H]3c3nc4ccccc4s3)on2)cc1 ZINC000007987029 568965124 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CC[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000007987427 568965192 /nfs/dbraw/zinc/96/51/92/568965192.db2.gz QYEVVUANKXOZRZ-GOSISDBHSA-N 0 0 415.356 5.383 50 0 HKAARN CCOCc1c2ccccc2oc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000007987428 568965165 /nfs/dbraw/zinc/96/51/65/568965165.db2.gz JNNXRSMHISEZLF-UHFFFAOYSA-N 0 0 406.404 5.306 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)o2)cc1 ZINC000007987429 568965156 /nfs/dbraw/zinc/96/51/56/568965156.db2.gz BICUPYYAKGYHNB-UHFFFAOYSA-N 0 0 416.399 5.486 50 0 HKAARN COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2C2CCCCC2)cc1OC ZINC000007987458 568965282 /nfs/dbraw/zinc/96/52/82/568965282.db2.gz UNRNXWQGQYWNHC-SFHVURJKSA-N 0 0 417.575 5.129 50 0 HKAARN COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2C2CCCCC2)cc1OC ZINC000007987459 568965261 /nfs/dbraw/zinc/96/52/61/568965261.db2.gz UNRNXWQGQYWNHC-GOSISDBHSA-N 0 0 417.575 5.129 50 0 HKAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000007987545 568965149 /nfs/dbraw/zinc/96/51/49/568965149.db2.gz 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CCOc1ccc([C@@H](C)Nc2nc(C(F)(F)F)nc3ccccc32)cc1OCC ZINC000007989437 568966547 /nfs/dbraw/zinc/96/65/47/568966547.db2.gz LMTZADGRDOUWJK-CYBMUJFWSA-N 0 0 405.420 5.619 50 0 HKAARN CCOc1ccc([C@H](C)Nc2nc(C(F)(F)F)nc3ccccc32)cc1OCC ZINC000007989438 568966516 /nfs/dbraw/zinc/96/65/16/568966516.db2.gz LMTZADGRDOUWJK-ZDUSSCGKSA-N 0 0 405.420 5.619 50 0 HKAARN CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C)n1 ZINC000007989449 568966438 /nfs/dbraw/zinc/96/64/38/568966438.db2.gz WQMPYKWYOSEMQF-UHFFFAOYSA-N 0 0 418.975 5.164 50 0 HKAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007989548 568966475 /nfs/dbraw/zinc/96/64/75/568966475.db2.gz FPYCMEZZLWUEMC-HXUWFJFHSA-N 0 0 402.519 5.853 50 0 HKAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000007989549 568966527 /nfs/dbraw/zinc/96/65/27/568966527.db2.gz FPYCMEZZLWUEMC-FQEVSTJZSA-N 0 0 402.519 5.853 50 0 HKAARN Cc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c2ccccc2n1 ZINC000007989600 568966504 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Cc1ccc2cccc(Oc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)c2n1 ZINC000008394180 568500166 /nfs/dbraw/zinc/50/01/66/568500166.db2.gz AWMZRSCLQNBQOJ-UHFFFAOYSA-N 0 0 412.876 6.497 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000008394263 568998776 /nfs/dbraw/zinc/99/87/76/568998776.db2.gz VKXYWZARIQWOIP-OAQYLSRUSA-N 0 0 424.614 5.452 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008394264 568998872 /nfs/dbraw/zinc/99/88/72/568998872.db2.gz VKXYWZARIQWOIP-NRFANRHFSA-N 0 0 424.614 5.452 50 0 HKAARN COc1ccccc1-c1nnc(SCc2csc(Nc3ccc(C)cc3)n2)o1 ZINC000008394542 568999039 /nfs/dbraw/zinc/99/90/39/568999039.db2.gz PPWBILWZRJBWIQ-UHFFFAOYSA-N 0 0 410.524 5.546 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)o2)cc1 ZINC000008394571 568999048 /nfs/dbraw/zinc/99/90/48/568999048.db2.gz FCGIJHVJNZLLAI-UHFFFAOYSA-N 0 0 402.475 5.833 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000008394698 568999012 /nfs/dbraw/zinc/99/90/12/568999012.db2.gz MFUMDWRGGNRQJU-UHFFFAOYSA-N 0 0 420.465 5.164 50 0 HKAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000008394720 568998966 /nfs/dbraw/zinc/99/89/66/568998966.db2.gz AJEYAMMRBUQDPG-AWEZNQCLSA-N 0 0 415.946 5.600 50 0 HKAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000008394721 568999056 /nfs/dbraw/zinc/99/90/56/568999056.db2.gz AJEYAMMRBUQDPG-CQSZACIVSA-N 0 0 415.946 5.600 50 0 HKAARN Cc1cc(OCc2nc(SCC(=O)c3cc4ccccc4o3)n[nH]2)ccc1Cl ZINC000008395098 568999188 /nfs/dbraw/zinc/99/91/88/568999188.db2.gz GGXWMKFBOIVTDP-UHFFFAOYSA-N 0 0 413.886 5.067 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)NCCC(c1ccccc1)c1ccccc1 ZINC000008395207 568499384 /nfs/dbraw/zinc/49/93/84/568499384.db2.gz WYWKZTMXTVSAAS-UHFFFAOYSA-N 0 0 418.587 5.753 50 0 HKAARN O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c1 ZINC000008395231 568999398 /nfs/dbraw/zinc/99/93/98/568999398.db2.gz JGIYVPWAYFRWSZ-UHFFFAOYSA-N 0 0 413.502 5.108 50 0 HKAARN Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3C)ccc2n1-c1ccccc1 ZINC000008395302 568999323 /nfs/dbraw/zinc/99/93/23/568999323.db2.gz DFJUBDDBSOVXGX-UHFFFAOYSA-N 0 0 405.885 5.313 50 0 HKAARN c1ccc(-c2nc3sc4c(ncnc4NCc4ccccn4)c3c3c2CCC3)cc1 ZINC000008395357 568499336 /nfs/dbraw/zinc/49/93/36/568499336.db2.gz GHRGVWXEIAFDPA-UHFFFAOYSA-N 0 0 409.518 5.402 50 0 HKAARN CC(=O)c1sc(NC(=O)c2ccccc2SCc2ccccc2F)nc1C ZINC000008395535 568999393 /nfs/dbraw/zinc/99/93/93/568999393.db2.gz HZHVYXZORMLSFT-UHFFFAOYSA-N 0 0 400.500 5.338 50 0 HKAARN COc1cc(C)c(NC(=O)c2oc3ccc(Br)cc3c2C)cc1OC ZINC000008395742 568999545 /nfs/dbraw/zinc/99/95/45/568999545.db2.gz QQHZPEOKBATQCB-UHFFFAOYSA-N 0 0 404.260 5.082 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1NC(=O)c1ccco1 ZINC000008395752 132330002 /nfs/dbraw/zinc/33/00/02/132330002.db2.gz OIEBEWJXVRSWLG-UHFFFAOYSA-N 0 0 403.482 5.083 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000008395796 568999564 /nfs/dbraw/zinc/99/95/64/568999564.db2.gz MOLYYCFBCVCPCI-UHFFFAOYSA-N 0 0 412.489 5.719 50 0 HKAARN CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000008396092 557785925 /nfs/dbraw/zinc/78/59/25/557785925.db2.gz KVJGKLPPEAVQKM-VCHYOVAHSA-N 0 0 422.333 6.017 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1OC ZINC000008396224 568999575 /nfs/dbraw/zinc/99/95/75/568999575.db2.gz KOYPHZASLADWKZ-UHFFFAOYSA-N 0 0 422.531 5.808 50 0 HKAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000008396632 519009357 /nfs/dbraw/zinc/00/93/57/519009357.db2.gz CDVKPGTUMABMIN-UHFFFAOYSA-N 0 0 422.450 6.369 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000008396997 557786059 /nfs/dbraw/zinc/78/60/59/557786059.db2.gz VLBKSUVJJWLCAW-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000008396999 557786055 /nfs/dbraw/zinc/78/60/55/557786055.db2.gz RYFHUUAQGGFXOM-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Cc1ccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)cc1 ZINC000008397888 557786083 /nfs/dbraw/zinc/78/60/83/557786083.db2.gz SZLMPGWYKGNSCM-XNTDXEJSSA-N 0 0 417.306 5.627 50 0 HKAARN Cn1cc(C(c2ccc(Br)o2)c2cn(C)c3ccccc23)c2ccccc21 ZINC000008397941 557786036 /nfs/dbraw/zinc/78/60/36/557786036.db2.gz NRMHHYOJTWRMQU-UHFFFAOYSA-N 0 0 419.322 6.206 50 0 HKAARN CCOc1cc(Br)c(C=NNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000008397955 568999515 /nfs/dbraw/zinc/99/95/15/568999515.db2.gz MWBPTWGQOUHZPY-UHFFFAOYSA-N 0 0 418.118 5.609 50 0 HKAARN Clc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3cccs3)C2)cc1 ZINC000008397970 557786314 /nfs/dbraw/zinc/78/63/14/557786314.db2.gz QCRMXULNKKJGOY-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3cccs3)C2)cc1 ZINC000008397973 557786325 /nfs/dbraw/zinc/78/63/25/557786325.db2.gz QCRMXULNKKJGOY-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccs2)cc1 ZINC000008397975 557786294 /nfs/dbraw/zinc/78/62/94/557786294.db2.gz WHBHAKRPAHRKIC-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)cc1 ZINC000008397977 557786350 /nfs/dbraw/zinc/78/63/50/557786350.db2.gz WHBHAKRPAHRKIC-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccs2)c1 ZINC000008397981 557786321 /nfs/dbraw/zinc/78/63/21/557786321.db2.gz QBVMRWHWZVTWHV-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)c1 ZINC000008397983 557786347 /nfs/dbraw/zinc/78/63/47/557786347.db2.gz QBVMRWHWZVTWHV-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN CNc1ccc(Br)cc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1=O ZINC000008398001 568999597 /nfs/dbraw/zinc/99/95/97/568999597.db2.gz IIHHSHKYACYDGZ-GORDUTHDSA-N 0 0 413.098 5.054 50 0 HKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl ZINC000008398010 557786312 /nfs/dbraw/zinc/78/63/12/557786312.db2.gz VDOUJDUPXZSZKU-FQEVSTJZSA-N 0 0 419.714 7.142 50 0 HKAARN Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl ZINC000008398013 557786297 /nfs/dbraw/zinc/78/62/97/557786297.db2.gz VDOUJDUPXZSZKU-HXUWFJFHSA-N 0 0 419.714 7.142 50 0 HKAARN Fc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@H](c2ccc(Cl)cc2)C1 ZINC000008398024 568999513 /nfs/dbraw/zinc/99/95/13/568999513.db2.gz HQUDQRDBAUARFQ-NRFANRHFSA-N 0 0 419.714 7.142 50 0 HKAARN Fc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000008398027 568999589 /nfs/dbraw/zinc/99/95/89/568999589.db2.gz HQUDQRDBAUARFQ-OAQYLSRUSA-N 0 0 419.714 7.142 50 0 HKAARN CCOc1cc(C=NNc2cccc(C(F)(F)F)c2)c(Br)cc1OC ZINC000008398256 568999559 /nfs/dbraw/zinc/99/95/59/568999559.db2.gz XTPZOBYHROXKND-UHFFFAOYSA-N 0 0 417.225 5.321 50 0 HKAARN O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000008398272 557786288 /nfs/dbraw/zinc/78/62/88/557786288.db2.gz WQEYNCGZVYOJEX-QNGOZBTKSA-N 0 0 417.306 5.279 50 0 HKAARN O=C1C=CC([N+](=O)[O-])=C/C1=C/C1=C2c3ccccc3N(Cc3ccccc3)C=C2CCC1 ZINC000008398385 569076078 /nfs/dbraw/zinc/07/60/78/569076078.db2.gz VPKHNPCONHOHSE-JCMHNJIXSA-N 0 0 422.484 5.754 50 0 HKAARN COC(=O)[C@](Nc1ccc(Cl)c(Cl)c1)(c1cc(C)c(O)c(C)c1)C(F)(F)F ZINC000008399331 568999610 /nfs/dbraw/zinc/99/96/10/568999610.db2.gz BGTJILXSDGGMGI-QGZVFWFLSA-N 0 0 422.230 5.359 50 0 HKAARN COC(=O)[C@@](Nc1ccc(Cl)c(Cl)c1)(c1cc(C)c(O)c(C)c1)C(F)(F)F ZINC000008399333 568999547 /nfs/dbraw/zinc/99/95/47/568999547.db2.gz BGTJILXSDGGMGI-KRWDZBQOSA-N 0 0 422.230 5.359 50 0 HKAARN COc1ccc(-n2c(/C=C/c3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000008399632 557786552 /nfs/dbraw/zinc/78/65/52/557786552.db2.gz NUGWGMPYCMRRJW-NTUHNPAUSA-N 0 0 423.299 5.872 50 0 HKAARN O=C(c1ccc(Br)o1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000008399882 557786557 /nfs/dbraw/zinc/78/65/57/557786557.db2.gz OXFXMGKNXSFJIB-AWEZNQCLSA-N 0 0 419.662 5.280 50 0 HKAARN Cc1ccc(C2=N/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C(=O)O2)cc1 ZINC000008399885 557786534 /nfs/dbraw/zinc/78/65/34/557786534.db2.gz UGHNXJKWKABWDA-HAHDFKILSA-N 0 0 423.447 5.331 50 0 HKAARN O=c1oc(-c2cccc(Cl)c2)nc2scc(-c3ccc(Br)cc3)c21 ZINC000008400229 557786739 /nfs/dbraw/zinc/78/67/39/557786739.db2.gz VWXONUQIUTWVTB-UHFFFAOYSA-N 0 0 418.699 5.999 50 0 HKAARN c1ccc2sc(SCc3nc4c5c6c(sc5ncn4n3)CCCCC6)nc2c1 ZINC000008400587 557786769 /nfs/dbraw/zinc/78/67/69/557786769.db2.gz APYSLZCPLORORU-UHFFFAOYSA-N 0 0 423.592 5.510 50 0 HKAARN COc1ccc(NC(=O)c2ccc(CSc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000008401737 569000849 /nfs/dbraw/zinc/00/08/49/569000849.db2.gz HPZTZCXSEFZLMD-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN COc1ccc(NC(=O)c2ccc(CSc3ncnc4ccccc43)cc2)cc1 ZINC000008401746 569000918 /nfs/dbraw/zinc/00/09/18/569000918.db2.gz XWGMHSBWEVFCEH-UHFFFAOYSA-N 0 0 401.491 5.183 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000008402001 569001057 /nfs/dbraw/zinc/00/10/57/569001057.db2.gz YBHLBZBJYVIXPI-UHFFFAOYSA-N 0 0 417.896 5.938 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccnn3C3CCCC3)c2n1 ZINC000008402037 569000961 /nfs/dbraw/zinc/00/09/61/569000961.db2.gz DGAIDRDJJSZWHZ-UHFFFAOYSA-N 0 0 419.312 5.179 50 0 HKAARN COCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)sc2cccc(F)c21 ZINC000008402195 569000949 /nfs/dbraw/zinc/00/09/49/569000949.db2.gz CPFGODRRCJXXSO-UHFFFAOYSA-N 0 0 401.503 5.745 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OCCOc1ccccc1 ZINC000008402265 569001099 /nfs/dbraw/zinc/00/10/99/569001099.db2.gz NCZMNAYFRGWXFQ-UHFFFAOYSA-N 0 0 413.420 5.074 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@H]2c1cccc(Cl)c1Cl ZINC000008403762 569001028 /nfs/dbraw/zinc/00/10/28/569001028.db2.gz CQCRQFRYGBDLNP-DEOSSOPVSA-N 0 0 422.355 7.456 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@@H]2c1cccc(Cl)c1Cl ZINC000008403769 569001047 /nfs/dbraw/zinc/00/10/47/569001047.db2.gz CQCRQFRYGBDLNP-XMMPIXPASA-N 0 0 422.355 7.456 50 0 HKAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000008404062 569001095 /nfs/dbraw/zinc/00/10/95/569001095.db2.gz REQKTXMKYZJNIX-UHFFFAOYSA-N 0 0 405.588 6.321 50 0 HKAARN Cc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 ZINC000008404207 569001102 /nfs/dbraw/zinc/00/11/02/569001102.db2.gz PUZBLASTLFULLI-UHFFFAOYSA-N 0 0 423.538 5.207 50 0 HKAARN COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000008404906 569001123 /nfs/dbraw/zinc/00/11/23/569001123.db2.gz MLGJYWLSBIWABG-SFHVURJKSA-N 0 0 405.494 5.116 50 0 HKAARN COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000008404908 569001164 /nfs/dbraw/zinc/00/11/64/569001164.db2.gz MLGJYWLSBIWABG-GOSISDBHSA-N 0 0 405.494 5.116 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008405059 569001200 /nfs/dbraw/zinc/00/12/00/569001200.db2.gz NSLQKVXSUYBHIQ-UHFFFAOYSA-N 0 0 417.509 5.150 50 0 HKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)c1 ZINC000008405772 569001361 /nfs/dbraw/zinc/00/13/61/569001361.db2.gz XVZOACWMURAXSM-OAHLLOKOSA-N 0 0 403.511 5.356 50 0 HKAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)c1 ZINC000008405781 569001447 /nfs/dbraw/zinc/00/14/47/569001447.db2.gz XVZOACWMURAXSM-HNNXBMFYSA-N 0 0 403.511 5.356 50 0 HKAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008405955 569001312 /nfs/dbraw/zinc/00/13/12/569001312.db2.gz ZDRDYZBOWWTCDN-OAQYLSRUSA-N 0 0 414.530 5.706 50 0 HKAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008405962 569001328 /nfs/dbraw/zinc/00/13/28/569001328.db2.gz ZDRDYZBOWWTCDN-NRFANRHFSA-N 0 0 414.530 5.706 50 0 HKAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)[C@H]1CC=CCC1 ZINC000008406207 569001569 /nfs/dbraw/zinc/00/15/69/569001569.db2.gz FHNRYCLGALVSLK-FQEVSTJZSA-N 0 0 419.956 5.567 50 0 HKAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)[C@@H]1CC=CCC1 ZINC000008406217 569001472 /nfs/dbraw/zinc/00/14/72/569001472.db2.gz FHNRYCLGALVSLK-HXUWFJFHSA-N 0 0 419.956 5.567 50 0 HKAARN Cc1ccc(C)c(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccc(Cl)cc2)c1 ZINC000008407725 557786943 /nfs/dbraw/zinc/78/69/43/557786943.db2.gz UMUFWGVGWBODEE-PNHLSOANSA-N 0 0 422.956 6.907 50 0 HKAARN COc1ccc2c(C)cc(SCC(=O)c3ccc(Br)cc3)nc2c1 ZINC000008409922 569001641 /nfs/dbraw/zinc/00/16/41/569001641.db2.gz LUHMTFRBSRTRMA-UHFFFAOYSA-N 0 0 402.313 5.289 50 0 HKAARN Clc1ccc(/C=C/c2nc(-c3ccccc3)cn3c4ccccc4nc23)c(Cl)c1 ZINC000008410088 557786932 /nfs/dbraw/zinc/78/69/32/557786932.db2.gz GBUIYDCEPAFYKD-ACCUITESSA-N 0 0 416.311 7.027 50 0 HKAARN Cc1nnc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c1/C=C/c1ccccc1 ZINC000008411839 557786996 /nfs/dbraw/zinc/78/69/96/557786996.db2.gz VICHAKDWBXZJQE-KPKJPENVSA-N 0 0 420.925 5.658 50 0 HKAARN COc1ccc(OCCCSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000008412112 569001544 /nfs/dbraw/zinc/00/15/44/569001544.db2.gz IPYBTRUOOPUCGX-UHFFFAOYSA-N 0 0 400.544 5.107 50 0 HKAARN Cc1cc(C(F)(F)F)nc2sc(C(=O)c3ccc4c(c3)Cc3ccccc3-4)c(N)c21 ZINC000008412208 557787171 /nfs/dbraw/zinc/78/71/71/557787171.db2.gz OQTXPOLKBWMFLU-UHFFFAOYSA-N 0 0 424.447 6.008 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2Cl)cc1C ZINC000008414265 557787154 /nfs/dbraw/zinc/78/71/54/557787154.db2.gz VSUYPNXBLAPEJD-BKUYFWCQSA-N 0 0 424.953 5.106 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2)cc1C ZINC000008414476 557787173 /nfs/dbraw/zinc/78/71/73/557787173.db2.gz WEVKVCKWFJKSDM-BKUYFWCQSA-N 0 0 424.953 5.106 50 0 HKAARN COc1ccc2c(c1)nc(SCc1cn3cccc(C)c3n1)cc2C(F)(F)F ZINC000008416393 569001822 /nfs/dbraw/zinc/00/18/22/569001822.db2.gz HTDRTFYNLKFVRP-UHFFFAOYSA-N 0 0 403.429 5.511 50 0 HKAARN Clc1ccc([C@@H]2c3cc(Cl)c4ccccc4c3Oc3ncn4ncnc4c32)cc1 ZINC000008417318 569001838 /nfs/dbraw/zinc/00/18/38/569001838.db2.gz DUTGQSIBDABKJS-GOSISDBHSA-N 0 0 419.271 5.870 50 0 HKAARN Clc1ccc([C@H]2c3cc(Cl)c4ccccc4c3Oc3ncn4ncnc4c32)cc1 ZINC000008417323 569001848 /nfs/dbraw/zinc/00/18/48/569001848.db2.gz DUTGQSIBDABKJS-SFHVURJKSA-N 0 0 419.271 5.870 50 0 HKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000008424407 557787417 /nfs/dbraw/zinc/78/74/17/557787417.db2.gz MVYVCIKGEFGAJD-NRFANRHFSA-N 0 0 423.285 5.580 50 0 HKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000008424409 557787481 /nfs/dbraw/zinc/78/74/81/557787481.db2.gz MVYVCIKGEFGAJD-OAQYLSRUSA-N 0 0 423.285 5.580 50 0 HKAARN c1ccc(-c2[nH]c(-c3cccc4ccccc43)nc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000008424559 557787404 /nfs/dbraw/zinc/78/74/04/557787404.db2.gz WOLRODNAFFWUGI-UHFFFAOYSA-N 0 0 422.531 8.231 50 0 HKAARN Cc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008425212 557787667 /nfs/dbraw/zinc/78/76/67/557787667.db2.gz XEPAFULZACDFSQ-HSZRJFAPSA-N 0 0 424.422 5.272 50 0 HKAARN Cc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008425215 557787658 /nfs/dbraw/zinc/78/76/58/557787658.db2.gz XEPAFULZACDFSQ-QHCPKHFHSA-N 0 0 424.422 5.272 50 0 HKAARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3Br)sc2c1 ZINC000008425416 557787665 /nfs/dbraw/zinc/78/76/65/557787665.db2.gz KPHNJUNMQLTOQS-UHFFFAOYSA-N 0 0 423.357 5.188 50 0 HKAARN OCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(Cl)cc1 ZINC000008425708 557787720 /nfs/dbraw/zinc/78/77/20/557787720.db2.gz GHMRKGWBLIZESW-UZYVYHOESA-N 0 0 423.763 5.247 50 0 HKAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1cc(-c2ccccc2)c2ccccc2n1 ZINC000008425721 557787684 /nfs/dbraw/zinc/78/76/84/557787684.db2.gz RALLAEDSTHXJMM-UHFFFAOYSA-N 0 0 424.503 7.077 50 0 HKAARN O=c1/c(=C/c2ccccc2Sc2ccc(Cl)cc2)sc2nc3ccccc3n12 ZINC000008425951 569002115 /nfs/dbraw/zinc/00/21/15/569002115.db2.gz VBKQAOBVPJVOPH-MOSHPQCFSA-N 0 0 420.946 5.262 50 0 HKAARN CCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000008426305 569002153 /nfs/dbraw/zinc/00/21/53/569002153.db2.gz REZIXEXATCAAFK-UHFFFAOYSA-N 0 0 420.503 5.200 50 0 HKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3ccccc34)[nH]2)cc1 ZINC000008426377 569002071 /nfs/dbraw/zinc/00/20/71/569002071.db2.gz PGVOFOFYWOPDPF-UHFFFAOYSA-N 0 0 420.512 7.918 50 0 HKAARN Fc1cccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3ccccc34)[nH]2)c1 ZINC000008426389 569002218 /nfs/dbraw/zinc/00/22/18/569002218.db2.gz PPCSWBFMPHSPCU-UHFFFAOYSA-N 0 0 420.512 7.918 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000008426564 557787860 /nfs/dbraw/zinc/78/78/60/557787860.db2.gz WITLLMGNQHOCTO-XUZZJYLKSA-N 0 0 420.871 5.540 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000008426565 557787935 /nfs/dbraw/zinc/78/79/35/557787935.db2.gz WITLLMGNQHOCTO-ZJSXRUAMSA-N 0 0 420.871 5.540 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426598 557787890 /nfs/dbraw/zinc/78/78/90/557787890.db2.gz MQEQQQJLFSWUCV-JTHBVZDNSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000008426599 557787938 /nfs/dbraw/zinc/78/79/38/557787938.db2.gz MQEQQQJLFSWUCV-GMAHTHKFSA-N 0 0 419.322 6.000 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1cccs1)O2 ZINC000008426641 557787855 /nfs/dbraw/zinc/78/78/55/557787855.db2.gz UEPOEYRNQWQBCY-KBXCAEBGSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1cccs1)O2 ZINC000008426642 557787952 /nfs/dbraw/zinc/78/79/52/557787952.db2.gz UEPOEYRNQWQBCY-KSSFIOAISA-N 0 0 417.353 5.814 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008426651 557787943 /nfs/dbraw/zinc/78/79/43/557787943.db2.gz KSOAGQYWXOQQHX-NZQKXSOJSA-N 0 0 423.299 5.746 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000008426652 557787968 /nfs/dbraw/zinc/78/79/68/557787968.db2.gz KSOAGQYWXOQQHX-NFBKMPQASA-N 0 0 423.299 5.746 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000008426746 557787871 /nfs/dbraw/zinc/78/78/71/557787871.db2.gz QNWXRHSDLXBSBE-JTHBVZDNSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000008426747 557787886 /nfs/dbraw/zinc/78/78/86/557787886.db2.gz QNWXRHSDLXBSBE-FYYLOGMGSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1cccc(NC(=O)Nc2cc3ccccc3cc2NC(=O)Nc2cccc(C)c2)c1 ZINC000008426882 557788239 /nfs/dbraw/zinc/78/82/39/557788239.db2.gz HSBSUSUWOJWJIY-UHFFFAOYSA-N 0 0 424.504 6.745 50 0 HKAARN Clc1ccc(N=C(C(c2ccccc2)c2ccccc2)n2nnc3ccccc32)cc1 ZINC000008427159 557788177 /nfs/dbraw/zinc/78/81/77/557788177.db2.gz HDDUNOQTENDZJU-UHFFFAOYSA-N 0 0 422.919 6.571 50 0 HKAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cc1 ZINC000008427869 569002168 /nfs/dbraw/zinc/00/21/68/569002168.db2.gz OUPUNFCDOFOHQW-UHFFFAOYSA-N 0 0 406.507 5.341 50 0 HKAARN COc1cc(CNc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(F)F ZINC000008427876 568501347 /nfs/dbraw/zinc/50/13/47/568501347.db2.gz SREXCAJMPRYVGM-UHFFFAOYSA-N 0 0 412.436 5.469 50 0 HKAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000008427937 569002206 /nfs/dbraw/zinc/00/22/06/569002206.db2.gz VXMNPZSSDKIGRN-HXUWFJFHSA-N 0 0 410.564 5.140 50 0 HKAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008427938 569002117 /nfs/dbraw/zinc/00/21/17/569002117.db2.gz VXMNPZSSDKIGRN-FQEVSTJZSA-N 0 0 410.564 5.140 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1NC(=O)c1ccco1 ZINC000008427966 569002276 /nfs/dbraw/zinc/00/22/76/569002276.db2.gz YQMMHSUWFRRUOP-UHFFFAOYSA-N 0 0 403.463 5.216 50 0 HKAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc2ccccc2c1 ZINC000008428000 569002301 /nfs/dbraw/zinc/00/23/01/569002301.db2.gz ANEPVXARKUOLIG-UHFFFAOYSA-N 0 0 400.507 5.029 50 0 HKAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCC1=CCCCC1 ZINC000008428007 569002282 /nfs/dbraw/zinc/00/22/82/569002282.db2.gz ZXNMMTBIYYIMQQ-UHFFFAOYSA-N 0 0 424.614 5.774 50 0 HKAARN CCOc1ccc(C(C)=O)cc1CNc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000008428076 569002325 /nfs/dbraw/zinc/00/23/25/569002325.db2.gz HBWVLHMHNZYYNT-UHFFFAOYSA-N 0 0 406.457 5.291 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1Cl ZINC000008428116 569002234 /nfs/dbraw/zinc/00/22/34/569002234.db2.gz NKIYFCCFTLCSIQ-UHFFFAOYSA-N 0 0 413.930 5.300 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000008428119 568501295 /nfs/dbraw/zinc/50/12/95/568501295.db2.gz ZPPXXWVZIQQIJB-INIZCTEOSA-N 0 0 404.466 5.037 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000008428120 569002250 /nfs/dbraw/zinc/00/22/50/569002250.db2.gz ZPPXXWVZIQQIJB-MRXNPFEDSA-N 0 0 404.466 5.037 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000008428145 569002287 /nfs/dbraw/zinc/00/22/87/569002287.db2.gz SMJZQOOEWGWFFZ-UHFFFAOYSA-N 0 0 422.594 7.083 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000008428146 569002231 /nfs/dbraw/zinc/00/22/31/569002231.db2.gz FEXQDAWKPCYDKT-UHFFFAOYSA-N 0 0 423.582 6.478 50 0 HKAARN CC[C@H](C)N(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[C@@H](C)CC ZINC000008428323 569002430 /nfs/dbraw/zinc/00/24/30/569002430.db2.gz HSXLKIJRHQSTCN-KBPBESRZSA-N 0 0 403.979 6.088 50 0 HKAARN CC[C@@H](C)N(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[C@H](C)CC ZINC000008428324 569002437 /nfs/dbraw/zinc/00/24/37/569002437.db2.gz HSXLKIJRHQSTCN-ZIAGYGMSSA-N 0 0 403.979 6.088 50 0 HKAARN Fc1ccc(OCCCSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000008428352 568501322 /nfs/dbraw/zinc/50/13/22/568501322.db2.gz AQIGVVWWJQQOTI-UHFFFAOYSA-N 0 0 408.502 5.462 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCCC[C@@H]1C ZINC000008428471 569002442 /nfs/dbraw/zinc/00/24/42/569002442.db2.gz YEZCMNLBYNIZBA-KRWDZBQOSA-N 0 0 414.571 5.022 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCCC[C@H]1C ZINC000008428472 569002373 /nfs/dbraw/zinc/00/23/73/569002373.db2.gz YEZCMNLBYNIZBA-QGZVFWFLSA-N 0 0 414.571 5.022 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000008428539 568501380 /nfs/dbraw/zinc/50/13/80/568501380.db2.gz LRTGRORSSLNDOQ-UHFFFAOYSA-N 0 0 408.911 5.113 50 0 HKAARN Cc1c(CSc2nnc(C3CC3)n2Cc2ccccc2)noc1-c1ccc(F)cc1 ZINC000008428698 569002352 /nfs/dbraw/zinc/00/23/52/569002352.db2.gz FBZAZXDPPSJMAQ-UHFFFAOYSA-N 0 0 420.513 5.599 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000008428856 569002586 /nfs/dbraw/zinc/00/25/86/569002586.db2.gz BCUHODXTBIOWES-UHFFFAOYSA-N 0 0 416.547 5.583 50 0 HKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000008428962 569002518 /nfs/dbraw/zinc/00/25/18/569002518.db2.gz 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O=C(NCc1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000008448300 569003760 /nfs/dbraw/zinc/00/37/60/569003760.db2.gz SOUQQHNFEUBZIP-OAQYLSRUSA-N 0 0 424.331 5.707 50 0 HKAARN Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000008448427 557790387 /nfs/dbraw/zinc/79/03/87/557790387.db2.gz MYPKJDSMGXSNCS-UHFFFAOYSA-N 0 0 424.500 6.583 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000008448800 557790489 /nfs/dbraw/zinc/79/04/89/557790489.db2.gz WIIUEKSUUUKEHL-UHFFFAOYSA-N 0 0 424.525 6.686 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(Br)c1 ZINC000008448843 569003691 /nfs/dbraw/zinc/00/36/91/569003691.db2.gz HLOWMQRAAUQBDF-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1Br ZINC000008448865 569003754 /nfs/dbraw/zinc/00/37/54/569003754.db2.gz VPFWMMOLCMYMBE-UHFFFAOYSA-N 0 0 421.294 5.747 50 0 HKAARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc2ccccc2o1 ZINC000008448867 569003741 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Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3cccc4ccccc43)c2)cc1 ZINC000008451521 557790992 /nfs/dbraw/zinc/79/09/92/557790992.db2.gz GYGJFYSNACFVTK-UHFFFAOYSA-N 0 0 423.468 5.440 50 0 HKAARN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008452381 557790941 /nfs/dbraw/zinc/79/09/41/557790941.db2.gz NZXDIAGMPAJQAK-SSDOTTSWSA-N 0 0 413.515 6.360 50 0 HKAARN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000008452471 557791022 /nfs/dbraw/zinc/79/10/22/557791022.db2.gz KIRQJVFNWLNWMB-UHFFFAOYSA-N 0 0 422.484 5.867 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 ZINC000008452474 557790966 /nfs/dbraw/zinc/79/09/66/557790966.db2.gz GBSSNAHLYKJNPN-UHFFFAOYSA-N 0 0 424.884 5.009 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000008452502 557790985 /nfs/dbraw/zinc/79/09/85/557790985.db2.gz TVVIQNKYVBTBSU-UHFFFAOYSA-N 0 0 424.500 5.672 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)c1 ZINC000008452513 557791025 /nfs/dbraw/zinc/79/10/25/557791025.db2.gz FPSNDVZDLMCOEU-UHFFFAOYSA-N 0 0 423.310 5.571 50 0 HKAARN Oc1cccc2ccc(/C=C/c3cc(Br)cc(Br)c3O)nc12 ZINC000008452645 557791053 /nfs/dbraw/zinc/79/10/53/557791053.db2.gz RPWDPJBSGSHYCB-FNORWQNLSA-N 0 0 421.088 5.341 50 0 HKAARN CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000008452931 557791255 /nfs/dbraw/zinc/79/12/55/557791255.db2.gz VWXJLONPTKMKLF-STZFKDTASA-N 0 0 420.921 5.885 50 0 HKAARN CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008452932 557791277 /nfs/dbraw/zinc/79/12/77/557791277.db2.gz MWCHKTLYFZNCJL-QNGOZBTKSA-N 0 0 420.921 5.885 50 0 HKAARN Brc1ccccc1-c1nnc2sc(Cc3cccc4ccccc43)nn21 ZINC000008453218 557791211 /nfs/dbraw/zinc/79/12/11/557791211.db2.gz SDCMRXVUPUOCNI-UHFFFAOYSA-N 0 0 421.323 5.359 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1Cl ZINC000008453249 557791234 /nfs/dbraw/zinc/79/12/34/557791234.db2.gz HFNXRFAUFNJACL-NFBKMPQASA-N 0 0 421.327 6.157 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1Cl ZINC000008453250 557791203 /nfs/dbraw/zinc/79/12/03/557791203.db2.gz HFNXRFAUFNJACL-NZQKXSOJSA-N 0 0 421.327 6.157 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl ZINC000008453251 557791222 /nfs/dbraw/zinc/79/12/22/557791222.db2.gz HFNXRFAUFNJACL-OFNKIYASSA-N 0 0 421.327 6.157 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1Cl ZINC000008453252 557791231 /nfs/dbraw/zinc/79/12/31/557791231.db2.gz HFNXRFAUFNJACL-REWPJTCUSA-N 0 0 421.327 6.157 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccc(Br)cc1 ZINC000008453417 557791633 /nfs/dbraw/zinc/79/16/33/557791633.db2.gz UANFMTQFUFJNQK-VGOFMYFVSA-N 0 0 421.269 5.458 50 0 HKAARN O=C1c2cccc(Cl)c2[C@](c2cccs2)(c2ccccc2)c2cccc(Cl)c21 ZINC000008453463 557791630 /nfs/dbraw/zinc/79/16/30/557791630.db2.gz GRNGSCGJTMMTSK-XMMPIXPASA-N 0 0 421.348 6.982 50 0 HKAARN O=C1c2cccc(Cl)c2[C@@](c2cccs2)(c2ccccc2)c2cccc(Cl)c21 ZINC000008453465 557791597 /nfs/dbraw/zinc/79/15/97/557791597.db2.gz GRNGSCGJTMMTSK-DEOSSOPVSA-N 0 0 421.348 6.982 50 0 HKAARN COc1cc2c(cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)oc1ccccc12 ZINC000008455243 557791539 /nfs/dbraw/zinc/79/15/39/557791539.db2.gz ZKUFJOQLFGFPMA-UHFFFAOYSA-N 0 0 423.778 5.253 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2Cl)cc1 ZINC000008455750 557791593 /nfs/dbraw/zinc/79/15/93/557791593.db2.gz BYZNWKINKFLYNO-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN O=C(NCc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000008455761 557791514 /nfs/dbraw/zinc/79/15/14/557791514.db2.gz UQKNXKFXSGPMLJ-VYIQYICTSA-N 0 0 423.299 5.902 50 0 HKAARN Nc1c(C(=O)c2ccccc2)sc2nc(C(F)(F)F)cc(-c3ccc(F)cc3)c12 ZINC000008455971 557791583 /nfs/dbraw/zinc/79/15/83/557791583.db2.gz XTLBSTAFUBXLDA-UHFFFAOYSA-N 0 0 416.399 5.934 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000008456028 557791616 /nfs/dbraw/zinc/79/16/16/557791616.db2.gz LRNIMHKWXVGKGG-UHFFFAOYSA-N 0 0 424.500 6.028 50 0 HKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000008456860 557791676 /nfs/dbraw/zinc/79/16/76/557791676.db2.gz WTPQJOKLMUGDKP-KRWDZBQOSA-N 0 0 417.328 5.369 50 0 HKAARN Ic1ccc(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)cc1 ZINC000008457008 569004037 /nfs/dbraw/zinc/00/40/37/569004037.db2.gz XRMHGJNATQCGTE-FQEVSTJZSA-N 0 0 424.285 5.969 50 0 HKAARN Ic1ccc(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)cc1 ZINC000008457010 569004060 /nfs/dbraw/zinc/00/40/60/569004060.db2.gz XRMHGJNATQCGTE-HXUWFJFHSA-N 0 0 424.285 5.969 50 0 HKAARN O=C(Nc1nc2ccc(Br)cc2s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008457088 557791717 /nfs/dbraw/zinc/79/17/17/557791717.db2.gz HCZRJFXDFGXNHM-UHFFFAOYSA-N 0 0 417.115 6.010 50 0 HKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)NC1CCCCC1 ZINC000008462081 569004309 /nfs/dbraw/zinc/00/43/09/569004309.db2.gz JQOJWVUKSRJBPZ-UHFFFAOYSA-N 0 0 424.589 5.262 50 0 HKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)NC1CCCCC1 ZINC000008462082 569004314 /nfs/dbraw/zinc/00/43/14/569004314.db2.gz JRMYSFZOVBYDOH-UHFFFAOYSA-N 0 0 424.589 5.262 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)NC1CCCCC1 ZINC000008462084 569004292 /nfs/dbraw/zinc/00/42/92/569004292.db2.gz JZCCRQVBGIIQEU-UHFFFAOYSA-N 0 0 406.599 5.123 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)NC1CCCCC1 ZINC000008464526 569004302 /nfs/dbraw/zinc/00/43/02/569004302.db2.gz TUUAFWKTJLGZFG-UHFFFAOYSA-N 0 0 420.626 5.432 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)NC1CCCCC1 ZINC000008464532 569004294 /nfs/dbraw/zinc/00/42/94/569004294.db2.gz LBEPSPFTEQZBCH-UHFFFAOYSA-N 0 0 420.626 5.432 50 0 HKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 ZINC000008466160 569004281 /nfs/dbraw/zinc/00/42/81/569004281.db2.gz QTOSBASDCNVGDI-NRFANRHFSA-N 0 0 401.554 5.836 50 0 HKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 ZINC000008466165 569004317 /nfs/dbraw/zinc/00/43/17/569004317.db2.gz QTOSBASDCNVGDI-OAQYLSRUSA-N 0 0 401.554 5.836 50 0 HKAARN CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc5c(c4)OCO5)nc32)cc1 ZINC000008469053 569004334 /nfs/dbraw/zinc/00/43/34/569004334.db2.gz IIZBLZZWXADAST-UHFFFAOYSA-N 0 0 423.516 6.031 50 0 HKAARN O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000008475420 557792428 /nfs/dbraw/zinc/79/24/28/557792428.db2.gz JDJNBOADNOIKLS-UHFFFAOYSA-N 0 0 407.853 5.702 50 0 HKAARN O=C(CCC(=O)OCc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000008475421 557792500 /nfs/dbraw/zinc/79/25/00/557792500.db2.gz YTJJDVJPKAZCIV-UHFFFAOYSA-N 0 0 407.853 5.702 50 0 HKAARN O=C(CCCC(=O)OCc1ccccc1F)Nc1ccc2c(c1)oc1ccccc12 ZINC000008475423 557792434 /nfs/dbraw/zinc/79/24/34/557792434.db2.gz FAGMNOZMUOCXEK-UHFFFAOYSA-N 0 0 405.425 5.577 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000008475449 557792535 /nfs/dbraw/zinc/79/25/35/557792535.db2.gz ZEUPTDMXMSBSKG-CQSZACIVSA-N 0 0 404.853 5.231 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000008475450 557792569 /nfs/dbraw/zinc/79/25/69/557792569.db2.gz ZEUPTDMXMSBSKG-AWEZNQCLSA-N 0 0 404.853 5.231 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008475505 557792691 /nfs/dbraw/zinc/79/26/91/557792691.db2.gz IBWSYNCFNXUJSL-CQSZACIVSA-N 0 0 404.853 5.231 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008475506 557792728 /nfs/dbraw/zinc/79/27/28/557792728.db2.gz IBWSYNCFNXUJSL-AWEZNQCLSA-N 0 0 404.853 5.231 50 0 HKAARN Cc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n(CC(C)C)c1C ZINC000008478769 571053583 /nfs/dbraw/zinc/05/35/83/571053583.db2.gz QPARIGBWLDRWLE-UHFFFAOYSA-N 0 0 407.583 5.154 50 0 HKAARN CCOc1ccccc1NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000008479128 571053510 /nfs/dbraw/zinc/05/35/10/571053510.db2.gz DKEDEIYBQYYQPL-UHFFFAOYSA-N 0 0 405.450 5.044 50 0 biogenic HKAARN CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008480037 571053705 /nfs/dbraw/zinc/05/37/05/571053705.db2.gz NTXNXQWHYGMCOT-UHFFFAOYSA-N 0 0 404.535 5.369 50 0 HKAARN CC[C@@H](C)N1C(=S)N=NC1c1ccc(COc2ccc(Br)cc2)o1 ZINC000008480536 568500976 /nfs/dbraw/zinc/50/09/76/568500976.db2.gz CMVCVDJJRYSIQD-LLVKDONJSA-N 0 0 408.321 5.139 50 0 HKAARN CC[C@H](C)N1C(=S)N=NC1c1ccc(COc2ccc(Br)cc2)o1 ZINC000008481606 571055136 /nfs/dbraw/zinc/05/51/36/571055136.db2.gz CMVCVDJJRYSIQD-NSHDSACASA-N 0 0 408.321 5.139 50 0 HKAARN COc1ccccc1CN(C)C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000008485416 571055438 /nfs/dbraw/zinc/05/54/38/571055438.db2.gz VAMSPQPOXCYQFF-UHFFFAOYSA-N 0 0 401.462 5.293 50 0 HKAARN COc1cc2c(cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1)oc1ccccc12 ZINC000008486945 571055344 /nfs/dbraw/zinc/05/53/44/571055344.db2.gz OEEDYJWWFLOQES-UHFFFAOYSA-N 0 0 411.841 5.518 50 0 HKAARN Cc1cccc(Nc2nnc(SCc3cc(F)cc4c3OCOC4)s2)c1C ZINC000008487165 571055589 /nfs/dbraw/zinc/05/55/89/571055589.db2.gz OCJOMDJVTFQCJM-UHFFFAOYSA-N 0 0 403.504 5.196 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccccc1Cl)OC(C)(C)CC3 ZINC000008490975 571060958 /nfs/dbraw/zinc/06/09/58/571060958.db2.gz OLOQFMKJZQIBBI-UHFFFAOYSA-N 0 0 411.885 5.040 50 0 biogenic HKAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008496034 571061732 /nfs/dbraw/zinc/06/17/32/571061732.db2.gz ZZTZGASUVOSUSM-UHFFFAOYSA-N 0 0 404.535 5.023 50 0 HKAARN CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008498211 571062234 /nfs/dbraw/zinc/06/22/34/571062234.db2.gz UCGWMZODBIKFSZ-UHFFFAOYSA-N 0 0 418.562 5.412 50 0 HKAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3c(C)cccc3C(C)C)c(C)c21 ZINC000008510600 571063152 /nfs/dbraw/zinc/06/31/52/571063152.db2.gz ZJAXBFHQLQFIRD-UHFFFAOYSA-N 0 0 417.505 6.077 50 0 biogenic HKAARN O=C(CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2)NCc1cccs1 ZINC000008519277 571067758 /nfs/dbraw/zinc/06/77/58/571067758.db2.gz NCOGPAOITYCEAK-UHFFFAOYSA-N 0 0 415.539 5.521 50 0 HKAARN O=C1c2ccccc2C(=CNc2cccnc2Cl)C(=O)N1c1cccc(Cl)c1 ZINC000008519941 132330312 /nfs/dbraw/zinc/33/03/12/132330312.db2.gz XFHOPLZHSDXBPA-ATVHPVEESA-N 0 0 410.260 5.028 50 0 HKAARN Cc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)o1 ZINC000008527204 571074246 /nfs/dbraw/zinc/07/42/46/571074246.db2.gz XIKBNDTWZJEDCX-UHFFFAOYSA-N 0 0 418.518 5.661 50 0 HKAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000008527266 571074320 /nfs/dbraw/zinc/07/43/20/571074320.db2.gz ZNOQSTMQKPKTDY-INIZCTEOSA-N 0 0 404.491 5.571 50 0 HKAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000008527273 571074257 /nfs/dbraw/zinc/07/42/57/571074257.db2.gz ZNOQSTMQKPKTDY-MRXNPFEDSA-N 0 0 404.491 5.571 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N[C@@H](C)c2ccco2)n1 ZINC000008528299 571074735 /nfs/dbraw/zinc/07/47/35/571074735.db2.gz RIMCIECOONIGBN-ZDUSSCGKSA-N 0 0 409.536 5.229 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N[C@H](C)c2ccco2)n1 ZINC000008528301 571074738 /nfs/dbraw/zinc/07/47/38/571074738.db2.gz RIMCIECOONIGBN-CYBMUJFWSA-N 0 0 409.536 5.229 50 0 HKAARN Cc1cc(CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)on1 ZINC000008528924 571074790 /nfs/dbraw/zinc/07/47/90/571074790.db2.gz QJUFXONWQQERPG-UHFFFAOYSA-N 0 0 406.511 5.052 50 0 HKAARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000008549562 571078096 /nfs/dbraw/zinc/07/80/96/571078096.db2.gz OFRDIJNROVPDDG-UHFFFAOYSA-N 0 0 409.825 5.075 50 0 HKAARN Cc1ccc(OCc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 ZINC000008550299 571078031 /nfs/dbraw/zinc/07/80/31/571078031.db2.gz CDLDSEHZCDYHRY-UHFFFAOYSA-N 0 0 415.518 5.334 50 0 HKAARN CC(C)(C)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1 ZINC000008557262 557794980 /nfs/dbraw/zinc/79/49/80/557794980.db2.gz XOONIEMRNGBEMB-UHFFFAOYSA-N 0 0 416.561 6.933 50 0 HKAARN O=C(COc1c(Cl)cccc1Cl)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000008557373 571080422 /nfs/dbraw/zinc/08/04/22/571080422.db2.gz TYFLJPMMKSHJIN-SFHVURJKSA-N 0 0 410.297 5.479 50 0 HKAARN O=C(COc1c(Cl)cccc1Cl)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000008557378 571080444 /nfs/dbraw/zinc/08/04/44/571080444.db2.gz TYFLJPMMKSHJIN-GOSISDBHSA-N 0 0 410.297 5.479 50 0 HKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008557886 571080872 /nfs/dbraw/zinc/08/08/72/571080872.db2.gz SNISKIPGXUKRMW-QHCPKHFHSA-N 0 0 417.871 5.927 50 0 HKAARN COc1ccc2ccc(OCC(=O)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000008558049 571080904 /nfs/dbraw/zinc/08/09/04/571080904.db2.gz XUIJAMGUSSAJBW-UHFFFAOYSA-N 0 0 401.462 5.049 50 0 HKAARN COc1ccc2ccc(OCC(=O)N[C@H](c3cccs3)c3ccccc3)cc2c1 ZINC000008558187 571080818 /nfs/dbraw/zinc/08/08/18/571080818.db2.gz IZYIREGLCIIWDK-DEOSSOPVSA-N 0 0 403.503 5.195 50 0 HKAARN COc1ccc2ccc(OCC(=O)N[C@@H](c3cccs3)c3ccccc3)cc2c1 ZINC000008558190 571080895 /nfs/dbraw/zinc/08/08/95/571080895.db2.gz IZYIREGLCIIWDK-XMMPIXPASA-N 0 0 403.503 5.195 50 0 HKAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 ZINC000008558697 557794959 /nfs/dbraw/zinc/79/49/59/557794959.db2.gz LYBGDMMKCIIQJP-UHFFFAOYSA-N 0 0 406.283 5.553 50 0 HKAARN CCOc1ccc(NC(=O)c2cn3nc(C)c(-c4ccc(Cl)cc4)c3nc2C)cc1 ZINC000008559357 557794945 /nfs/dbraw/zinc/79/49/45/557794945.db2.gz YQUIRRAZQUHRHP-UHFFFAOYSA-N 0 0 420.900 5.318 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000008559432 557794985 /nfs/dbraw/zinc/79/49/85/557794985.db2.gz MQTQRLLJWKTYMT-DVBCCOPCSA-N 0 0 413.908 5.817 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000008559435 557794928 /nfs/dbraw/zinc/79/49/28/557794928.db2.gz MQTQRLLJWKTYMT-LKGOPFMKSA-N 0 0 413.908 5.817 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559444 557794984 /nfs/dbraw/zinc/79/49/84/557794984.db2.gz RHAOAYNQOVAVLK-INIZCTEOSA-N 0 0 405.860 5.410 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559446 557794936 /nfs/dbraw/zinc/79/49/36/557794936.db2.gz RHAOAYNQOVAVLK-MRXNPFEDSA-N 0 0 405.860 5.410 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559448 557794918 /nfs/dbraw/zinc/79/49/18/557794918.db2.gz DLVVPFVQBDAVRD-FQEVSTJZSA-N 0 0 413.496 5.880 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559450 557794968 /nfs/dbraw/zinc/79/49/68/557794968.db2.gz DLVVPFVQBDAVRD-HXUWFJFHSA-N 0 0 413.496 5.880 50 0 HKAARN Cc1nn2c(ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559455 571081198 /nfs/dbraw/zinc/08/11/98/571081198.db2.gz OBDWQXFZJZXMMJ-INIZCTEOSA-N 0 0 405.860 5.410 50 0 HKAARN Cc1nn2c(ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(F)cc1 ZINC000008559459 571081221 /nfs/dbraw/zinc/08/12/21/571081221.db2.gz OBDWQXFZJZXMMJ-MRXNPFEDSA-N 0 0 405.860 5.410 50 0 HKAARN COc1ccc(-c2nnc([C@H](C)Sc3nc(C)nc4sc(C)c(C)c43)o2)cc1 ZINC000008560492 571081151 /nfs/dbraw/zinc/08/11/51/571081151.db2.gz IWKUAYDZCDPESQ-LBPRGKRZSA-N 0 0 412.540 5.528 50 0 HKAARN COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)nc4sc(C)c(C)c43)o2)cc1 ZINC000008560494 571081131 /nfs/dbraw/zinc/08/11/31/571081131.db2.gz IWKUAYDZCDPESQ-GFCCVEGCSA-N 0 0 412.540 5.528 50 0 HKAARN CC(C)CCOc1ccc(C(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000008560506 557794988 /nfs/dbraw/zinc/79/49/88/557794988.db2.gz WYPACPFSBUEPNT-UHFFFAOYSA-N 0 0 422.569 5.451 50 0 HKAARN CCCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000008560977 557794930 /nfs/dbraw/zinc/79/49/30/557794930.db2.gz ICWVKBKVEZTROK-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN O=C(Nc1cccc2c(NC(=O)c3ccccc3F)cccc12)c1ccccc1F ZINC000008562182 557795157 /nfs/dbraw/zinc/79/51/57/557795157.db2.gz XNUCBGGOSXPIFL-UHFFFAOYSA-N 0 0 402.400 5.623 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)sc2c1 ZINC000008562938 557795237 /nfs/dbraw/zinc/79/52/37/557795237.db2.gz ICLIKFGYCGGRDE-UHFFFAOYSA-N 0 0 402.519 6.311 50 0 HKAARN O=C(COc1ccc(-c2ccccc2)cc1Br)NCCC1=CCCCC1 ZINC000008566772 557795223 /nfs/dbraw/zinc/79/52/23/557795223.db2.gz UBECNZLFIWUXRI-UHFFFAOYSA-N 0 0 414.343 5.502 50 0 HKAARN CC(C)CCOc1cccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1 ZINC000008567902 557795390 /nfs/dbraw/zinc/79/53/90/557795390.db2.gz LSOSDHMHXDXYDB-UHFFFAOYSA-N 0 0 422.569 5.769 50 0 HKAARN COc1ccc(-c2c(C)nn3c2nc(-c2ccco2)cc3C(F)(F)F)cc1OC ZINC000008569800 557795321 /nfs/dbraw/zinc/79/53/21/557795321.db2.gz GSCXZLIYXCFIAH-UHFFFAOYSA-N 0 0 403.360 5.001 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2)cc1 ZINC000008569818 571081939 /nfs/dbraw/zinc/08/19/39/571081939.db2.gz ZOOLAYFSISVKEN-NRFANRHFSA-N 0 0 418.518 5.009 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2)cc1 ZINC000008569819 568501714 /nfs/dbraw/zinc/50/17/14/568501714.db2.gz ZOOLAYFSISVKEN-OAQYLSRUSA-N 0 0 418.518 5.009 50 0 HKAARN CC(C)Oc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000008570357 571082412 /nfs/dbraw/zinc/08/24/12/571082412.db2.gz ZZLPCWBLWGOHAW-UHFFFAOYSA-N 0 0 413.905 5.228 50 0 HKAARN Cn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000008572400 571082362 /nfs/dbraw/zinc/08/23/62/571082362.db2.gz GXLIDFPPCSRDRI-UHFFFAOYSA-N 0 0 401.322 5.629 50 0 HKAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000008573574 571082278 /nfs/dbraw/zinc/08/22/78/571082278.db2.gz IXTWEZISYZSHMX-XLIONFOSSA-N 0 0 423.582 5.116 50 0 HKAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000008573575 571082309 /nfs/dbraw/zinc/08/23/09/571082309.db2.gz IXTWEZISYZSHMX-YLJYHZDGSA-N 0 0 423.582 5.116 50 0 HKAARN CCC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000008573576 571082417 /nfs/dbraw/zinc/08/24/17/571082417.db2.gz IXTWEZISYZSHMX-PXNSSMCTSA-N 0 0 423.582 5.116 50 0 HKAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000008573577 571082289 /nfs/dbraw/zinc/08/22/89/571082289.db2.gz IXTWEZISYZSHMX-FXAWDEMLSA-N 0 0 423.582 5.116 50 0 HKAARN Cc1ccc(-n2c(/C=C/c3ccc(Br)s3)nc3ccccc3c2=O)cc1 ZINC000008583127 571082704 /nfs/dbraw/zinc/08/27/04/571082704.db2.gz YFVRQGMFHYKFKP-ACCUITESSA-N 0 0 423.335 5.689 50 0 HKAARN Cc1ccc(-n2c(/C=C/c3cc(Br)cs3)nc3ccccc3c2=O)cc1 ZINC000008583129 571082824 /nfs/dbraw/zinc/08/28/24/571082824.db2.gz LQGYBIRSDPHNPH-ZHACJKMWSA-N 0 0 423.335 5.689 50 0 HKAARN Cc1cc(-n2c(/C=C/c3cccs3)nc3ccccc3c2=O)ccc1Br ZINC000008583134 571082803 /nfs/dbraw/zinc/08/28/03/571082803.db2.gz ZCBLKAIFPWUUET-PKNBQFBNSA-N 0 0 423.335 5.689 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000008583656 571082820 /nfs/dbraw/zinc/08/28/20/571082820.db2.gz ZCDZEWVTWRODRI-UHFFFAOYSA-N 0 0 424.928 5.665 50 0 HKAARN CCc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(OC)cc2)cc1 ZINC000008583662 571082707 /nfs/dbraw/zinc/08/27/07/571082707.db2.gz KVXZIUUSWYADNI-UHFFFAOYSA-N 0 0 404.510 5.266 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cccc(C)c2C)cc1 ZINC000008583664 571082799 /nfs/dbraw/zinc/08/27/99/571082799.db2.gz IOBGTLPAKVFITP-UHFFFAOYSA-N 0 0 404.510 5.320 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000008583665 571082765 /nfs/dbraw/zinc/08/27/65/571082765.db2.gz NNUHEWAQIDSUGJ-UHFFFAOYSA-N 0 0 424.928 5.665 50 0 HKAARN CCOc1ccccc1NC(=O)CCn1c(C)c(C(C)=O)cc1-c1ccc(OC)cc1 ZINC000008583668 571082682 /nfs/dbraw/zinc/08/26/82/571082682.db2.gz OBECCOOCIHVATA-UHFFFAOYSA-N 0 0 420.509 5.102 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000008583669 571082679 /nfs/dbraw/zinc/08/26/79/571082679.db2.gz ZVOAIGUBQKEYND-UHFFFAOYSA-N 0 0 420.509 5.021 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000008583670 571082829 /nfs/dbraw/zinc/08/28/29/571082829.db2.gz OQFUYCICCLAOEZ-UHFFFAOYSA-N 0 0 424.928 5.665 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1C ZINC000008586526 571083151 /nfs/dbraw/zinc/08/31/51/571083151.db2.gz IVVNWJXTPIWGPX-UHFFFAOYSA-N 0 0 405.885 5.518 50 0 aggregator HKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccc(F)cc1 ZINC000008586556 571083243 /nfs/dbraw/zinc/08/32/43/571083243.db2.gz CJNAMNKDPMDUJF-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN Cc1ccc(SCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000008586560 571083099 /nfs/dbraw/zinc/08/30/99/571083099.db2.gz KPUAKADWZOXBDD-UHFFFAOYSA-N 0 0 422.937 6.496 50 0 HKAARN Cc1ccc(SCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000008586562 571083161 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/nfs/dbraw/zinc/79/60/74/557796074.db2.gz WGFPAMMSJFONDB-UHFFFAOYSA-N 0 0 421.884 5.030 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 ZINC000008590616 557796036 /nfs/dbraw/zinc/79/60/36/557796036.db2.gz ZXONSZNBFHUADD-UHFFFAOYSA-N 0 0 420.490 5.241 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl ZINC000008590619 557796075 /nfs/dbraw/zinc/79/60/75/557796075.db2.gz RNVNSGWBFLPBTK-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000008590626 557796049 /nfs/dbraw/zinc/79/60/49/557796049.db2.gz LIBVKCHUFMVMTR-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn21 ZINC000008590629 571085514 /nfs/dbraw/zinc/08/55/14/571085514.db2.gz FJVLNXARWRMEFT-UHFFFAOYSA-N 0 0 418.216 5.845 50 0 HKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)oc2c1 ZINC000008590634 557796040 /nfs/dbraw/zinc/79/60/40/557796040.db2.gz LONQWRKAVJOLJU-UHFFFAOYSA-N 0 0 420.852 5.480 50 0 aggregator HKAARN Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)oc2c1 ZINC000008590636 557796073 /nfs/dbraw/zinc/79/60/73/557796073.db2.gz ZUXVGSYDGIUNHS-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4C)c3)oc2c1 ZINC000008590640 557796079 /nfs/dbraw/zinc/79/60/79/557796079.db2.gz ZHRYYAZAIQAHKF-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)oc2c1 ZINC000008590642 557796043 /nfs/dbraw/zinc/79/60/43/557796043.db2.gz KNAXRNKLSMOCBV-UHFFFAOYSA-N 0 0 408.910 6.187 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 ZINC000008590655 557796086 /nfs/dbraw/zinc/79/60/86/557796086.db2.gz CDXJXDBPGFAOJG-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000008590656 557796076 /nfs/dbraw/zinc/79/60/76/557796076.db2.gz DPYAOBZCHYUNLX-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ccccc2o1 ZINC000008590661 557796047 /nfs/dbraw/zinc/79/60/47/557796047.db2.gz CTAPSYKMMRHEGI-UHFFFAOYSA-N 0 0 412.876 6.862 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)oc2c1 ZINC000008590667 526241436 /nfs/dbraw/zinc/24/14/36/526241436.db2.gz JWPASMHIPLDPGQ-UHFFFAOYSA-N 0 0 422.937 6.496 50 0 HKAARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000008590672 557796081 /nfs/dbraw/zinc/79/60/81/557796081.db2.gz ULLZYOFYSRQZEE-UHFFFAOYSA-N 0 0 416.843 5.619 50 0 HKAARN CC(C)COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000008590676 557796087 /nfs/dbraw/zinc/79/60/87/557796087.db2.gz ULVAZAAEJIEJOT-UHFFFAOYSA-N 0 0 420.900 5.361 50 0 HKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008590756 571085535 /nfs/dbraw/zinc/08/55/35/571085535.db2.gz UAJABHSREIUHFZ-JOCHJYFZSA-N 0 0 419.481 5.426 50 0 aggregator HKAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008590757 571085473 /nfs/dbraw/zinc/08/54/73/571085473.db2.gz UAJABHSREIUHFZ-QFIPXVFZSA-N 0 0 419.481 5.426 50 0 aggregator HKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccccc3Cl)o2)CC1 ZINC000008590838 518801214 /nfs/dbraw/zinc/80/12/14/518801214.db2.gz NLBQZZZTNTYJKY-UHFFFAOYSA-N 0 0 409.939 5.130 50 0 HKAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3cccc(Cl)c3)o2)CC1 ZINC000008590840 518802495 /nfs/dbraw/zinc/80/24/95/518802495.db2.gz FLNJYCOEXLGYQV-UHFFFAOYSA-N 0 0 409.939 5.130 50 0 HKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000008590845 557796085 /nfs/dbraw/zinc/79/60/85/557796085.db2.gz ZQLLORFKPMGRHE-UHFFFAOYSA-N 0 0 406.869 5.646 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C)cc1 ZINC000008590848 557796078 /nfs/dbraw/zinc/79/60/78/557796078.db2.gz WLHZYNQSEBENKF-UHFFFAOYSA-N 0 0 404.491 5.298 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1C ZINC000008590851 523231300 /nfs/dbraw/zinc/23/13/00/523231300.db2.gz DFNSRMDJYVHINE-UHFFFAOYSA-N 0 0 404.491 5.298 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000008590854 557796071 /nfs/dbraw/zinc/79/60/71/557796071.db2.gz ZDZJNENTJSSSPZ-UHFFFAOYSA-N 0 0 404.491 5.623 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000008590865 557796080 /nfs/dbraw/zinc/79/60/80/557796080.db2.gz XATMTMGMPUOYMS-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000008590873 557796032 /nfs/dbraw/zinc/79/60/32/557796032.db2.gz PWNUZYDIUJUJMW-UHFFFAOYSA-N 0 0 405.885 5.518 50 0 aggregator HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000008590917 571085960 /nfs/dbraw/zinc/08/59/60/571085960.db2.gz KRPPTGATVABOBZ-KPKJPENVSA-N 0 0 402.881 6.417 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000008590919 557796070 /nfs/dbraw/zinc/79/60/70/557796070.db2.gz UYGLKHQCWXTHRJ-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cc2ccccc2o1 ZINC000008590929 557796051 /nfs/dbraw/zinc/79/60/51/557796051.db2.gz CEDGCLWTIIBFBM-UHFFFAOYSA-N 0 0 423.255 6.800 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008590954 557796084 /nfs/dbraw/zinc/79/60/84/557796084.db2.gz WHDYCYLVSGWIOL-UHFFFAOYSA-N 0 0 402.473 5.418 50 0 HKAARN Cc1cc(NC(=O)c2ccc(Br)o2)cc(-c2nc3ccccc3o2)c1O ZINC000008591012 557796060 /nfs/dbraw/zinc/79/60/60/557796060.db2.gz BOMXTPNZSPDNQN-UHFFFAOYSA-N 0 0 413.227 5.117 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c1 ZINC000008591069 571085952 /nfs/dbraw/zinc/08/59/52/571085952.db2.gz DNBLBWLMWQSWJP-UHFFFAOYSA-N 0 0 420.852 5.480 50 0 HKAARN COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1OC ZINC000008591104 571085859 /nfs/dbraw/zinc/08/58/59/571085859.db2.gz GIFGFWQCEXOFTP-UHFFFAOYSA-N 0 0 420.490 5.247 50 0 HKAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000008591156 571085877 /nfs/dbraw/zinc/08/58/77/571085877.db2.gz JVVJSMOJKOWIOC-SECBINFHSA-N 0 0 404.319 5.254 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3F)c3ccccc23)cc1Cl ZINC000008591226 571085785 /nfs/dbraw/zinc/08/57/85/571085785.db2.gz QVZFKYKMQDCFEN-UHFFFAOYSA-N 0 0 423.850 6.471 50 0 HKAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1cc(C)ccc1C ZINC000008592190 571086250 /nfs/dbraw/zinc/08/62/50/571086250.db2.gz YCPUZSPESPNCTO-UHFFFAOYSA-N 0 0 424.953 5.149 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C[C@@H](c1cccs1)N1Cc2ccccc2C1=O ZINC000008592225 571086266 /nfs/dbraw/zinc/08/62/66/571086266.db2.gz JOMIWEISGUHRAZ-IBGZPJMESA-N 0 0 410.926 5.436 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C[C@H](c1cccs1)N1Cc2ccccc2C1=O ZINC000008592228 571086339 /nfs/dbraw/zinc/08/63/39/571086339.db2.gz JOMIWEISGUHRAZ-LJQANCHMSA-N 0 0 410.926 5.436 50 0 HKAARN CSc1cccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000008592231 571086232 /nfs/dbraw/zinc/08/62/32/571086232.db2.gz YXARYCUBEARFNH-IBGZPJMESA-N 0 0 408.548 5.196 50 0 HKAARN CSc1cccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000008592234 571086378 /nfs/dbraw/zinc/08/63/78/571086378.db2.gz YXARYCUBEARFNH-LJQANCHMSA-N 0 0 408.548 5.196 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(F)ccc3F)cc2)nc1COc1ccccc1 ZINC000008592252 571086367 /nfs/dbraw/zinc/08/63/67/571086367.db2.gz ZCWAVYJDFJLASB-UHFFFAOYSA-N 0 0 420.415 5.760 50 0 HKAARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 ZINC000008592258 571086289 /nfs/dbraw/zinc/08/62/89/571086289.db2.gz YEJZZGHNRRDWPU-SFHVURJKSA-N 0 0 414.889 5.267 50 0 HKAARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 ZINC000008592261 571086261 /nfs/dbraw/zinc/08/62/61/571086261.db2.gz YEJZZGHNRRDWPU-GOSISDBHSA-N 0 0 414.889 5.267 50 0 HKAARN O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000008592375 571086376 /nfs/dbraw/zinc/08/63/76/571086376.db2.gz AHQPUXUCWRPAOH-UHFFFAOYSA-N 0 0 418.500 5.264 50 0 aggregator HKAARN COC(=O)c1c(SC)nc2ccccc2c1OCc1ccc(Br)cc1 ZINC000008592446 571086381 /nfs/dbraw/zinc/08/63/81/571086381.db2.gz XGTKAFQPUUWMSV-UHFFFAOYSA-N 0 0 418.312 5.085 50 0 aggregator HKAARN Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccccc3)CC4=O)n2)cc1 ZINC000008592463 571086332 /nfs/dbraw/zinc/08/63/32/571086332.db2.gz JRMPHTKXIOQKAC-SFHVURJKSA-N 0 0 412.514 5.387 50 0 HKAARN Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccccc3)CC4=O)n2)cc1 ZINC000008592464 571086296 /nfs/dbraw/zinc/08/62/96/571086296.db2.gz JRMPHTKXIOQKAC-GOSISDBHSA-N 0 0 412.514 5.387 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3c(F)cccc3Cl)c3nc(C)ccc3c2=O)cc1 ZINC000008592515 571086813 /nfs/dbraw/zinc/08/68/13/571086813.db2.gz DFUWUIAYKDYTIQ-UHFFFAOYSA-N 0 0 420.871 5.085 50 0 HKAARN Cc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1 ZINC000008592570 571086827 /nfs/dbraw/zinc/08/68/27/571086827.db2.gz HOASOXQCQRICMU-UHFFFAOYSA-N 0 0 419.394 6.733 50 0 HKAARN Fc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1 ZINC000008592576 571086721 /nfs/dbraw/zinc/08/67/21/571086721.db2.gz RRXLPKRTLXZVNA-UHFFFAOYSA-N 0 0 423.357 6.564 50 0 HKAARN Cc1ccc(COc2cccc3cc(-c4noc(-c5ccc(C)cc5)n4)c(=O)oc32)cc1 ZINC000008592658 571086796 /nfs/dbraw/zinc/08/67/96/571086796.db2.gz QXZMDBBNSTZNGX-UHFFFAOYSA-N 0 0 424.456 5.706 50 0 HKAARN Cc1ccc([C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000008592705 571086807 /nfs/dbraw/zinc/08/68/07/571086807.db2.gz FCVXSLYUINJXAH-JOCHJYFZSA-N 0 0 422.887 5.513 50 0 HKAARN Cc1ccc([C@H](CC(=O)Nc2ccc(F)c(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000008592706 571086756 /nfs/dbraw/zinc/08/67/56/571086756.db2.gz FCVXSLYUINJXAH-QFIPXVFZSA-N 0 0 422.887 5.513 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(Br)cc2O)nc2sccn21 ZINC000008592997 571086710 /nfs/dbraw/zinc/08/67/10/571086710.db2.gz APOWOOUBHQIDMK-UHFFFAOYSA-N 0 0 400.301 5.583 50 0 HKAARN CCOc1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000008593058 571086761 /nfs/dbraw/zinc/08/67/61/571086761.db2.gz LOYZRLCJFLKUAI-UHFFFAOYSA-N 0 0 422.937 5.945 50 0 HKAARN COc1ccc([C@H](CC(=O)Nc2cccc(C)c2C)N2Cc3ccccc3C2=O)cc1 ZINC000008593067 571087120 /nfs/dbraw/zinc/08/71/20/571087120.db2.gz AAQXVEZRMUNMQS-DEOSSOPVSA-N 0 0 414.505 5.038 50 0 HKAARN COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2C)N2Cc3ccccc3C2=O)cc1 ZINC000008593072 571087123 /nfs/dbraw/zinc/08/71/23/571087123.db2.gz AAQXVEZRMUNMQS-XMMPIXPASA-N 0 0 414.505 5.038 50 0 HKAARN CCOc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000008593095 571087059 /nfs/dbraw/zinc/08/70/59/571087059.db2.gz ATCPIBQRGNBXHT-UHFFFAOYSA-N 0 0 422.937 5.945 50 0 HKAARN CCc1ccccc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000008593107 571087137 /nfs/dbraw/zinc/08/71/37/571087137.db2.gz JKANZZKWYDVLIG-QHCPKHFHSA-N 0 0 402.469 5.114 50 0 HKAARN CCc1ccccc1NC(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000008593109 571087094 /nfs/dbraw/zinc/08/70/94/571087094.db2.gz JKANZZKWYDVLIG-HSZRJFAPSA-N 0 0 402.469 5.114 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)nc1COc1ccccc1 ZINC000008593118 571087088 /nfs/dbraw/zinc/08/70/88/571087088.db2.gz WIPKXTHLEVWNPG-UHFFFAOYSA-N 0 0 420.415 5.760 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000008593131 571086967 /nfs/dbraw/zinc/08/69/67/571086967.db2.gz GGNVRWHHZRHVCK-QFIPXVFZSA-N 0 0 422.887 5.513 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000008593132 571087134 /nfs/dbraw/zinc/08/71/34/571087134.db2.gz GGNVRWHHZRHVCK-JOCHJYFZSA-N 0 0 422.887 5.513 50 0 HKAARN Cc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1C ZINC000008593137 571087156 /nfs/dbraw/zinc/08/71/56/571087156.db2.gz YLOWDSTZZVRWLV-QHCPKHFHSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1C ZINC000008593140 571087148 /nfs/dbraw/zinc/08/71/48/571087148.db2.gz YLOWDSTZZVRWLV-HSZRJFAPSA-N 0 0 402.469 5.168 50 0 HKAARN CSc1cccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008593141 571087048 /nfs/dbraw/zinc/08/70/48/571087048.db2.gz BEQIEYNWCHSGGJ-QFIPXVFZSA-N 0 0 420.509 5.274 50 0 HKAARN CSc1cccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008593143 571087028 /nfs/dbraw/zinc/08/70/28/571087028.db2.gz BEQIEYNWCHSGGJ-JOCHJYFZSA-N 0 0 420.509 5.274 50 0 HKAARN Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000008594187 557796215 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557796180 /nfs/dbraw/zinc/79/61/80/557796180.db2.gz YSCQNIWUMXQCMS-OAQYLSRUSA-N 0 0 423.875 6.129 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(F)cc2C)n1 ZINC000008594427 571087611 /nfs/dbraw/zinc/08/76/11/571087611.db2.gz ZPPYHTSGWURXIX-UHFFFAOYSA-N 0 0 416.287 5.930 50 0 HKAARN COc1ccccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1 ZINC000008594428 571087544 /nfs/dbraw/zinc/08/75/44/571087544.db2.gz FLGBWNKMKVLKHQ-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 aggregator HKAARN COc1ccccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1 ZINC000008594429 571087556 /nfs/dbraw/zinc/08/75/56/571087556.db2.gz FLGBWNKMKVLKHQ-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 aggregator HKAARN Fc1ccc(NCc2ccccc2-c2nnc(-c3ccccc3Cl)o2)cc1Cl ZINC000008594449 571087515 /nfs/dbraw/zinc/08/75/15/571087515.db2.gz OARLPWFQGRJUAX-UHFFFAOYSA-N 0 0 414.267 6.462 50 0 HKAARN Fc1ccc([C@@H](Nc2ccccc2Cl)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000008594469 571087533 /nfs/dbraw/zinc/08/75/33/571087533.db2.gz SDPLNTOQYGWTFK-LJQANCHMSA-N 0 0 414.267 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571087585 /nfs/dbraw/zinc/08/75/85/571087585.db2.gz LSRWLUVOFCZCBN-UHFFFAOYSA-N 0 0 417.415 5.536 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CCN1c2cccnc2Sc2ccccc2C1=O ZINC000008595197 571087547 /nfs/dbraw/zinc/08/75/47/571087547.db2.gz VPEJXBPOSBVVNS-UHFFFAOYSA-N 0 0 423.925 5.184 50 0 HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008595605 571087960 /nfs/dbraw/zinc/08/79/60/571087960.db2.gz AHKDUTFBJXLQEI-HSZRJFAPSA-N 0 0 417.871 5.927 50 0 aggregator HKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595606 571087840 /nfs/dbraw/zinc/08/78/40/571087840.db2.gz AHKDUTFBJXLQEI-QHCPKHFHSA-N 0 0 417.871 5.927 50 0 aggregator HKAARN CC(C)Cn1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O ZINC000008595625 571087948 /nfs/dbraw/zinc/08/79/48/571087948.db2.gz YROQNFPQSGCGBG-UHFFFAOYSA-N 0 0 403.404 5.320 50 0 HKAARN Cc1ccc(CNC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000008596697 571087955 /nfs/dbraw/zinc/08/79/55/571087955.db2.gz ZMTLXFXSUSTWLT-UHFFFAOYSA-N 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CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000008599054 571089045 /nfs/dbraw/zinc/08/90/45/571089045.db2.gz CSWMPWCPVBHYFH-HSZRJFAPSA-N 0 0 415.468 5.475 50 0 HKAARN CN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1cccc(C(F)(F)F)c1 ZINC000008599229 571089011 /nfs/dbraw/zinc/08/90/11/571089011.db2.gz QEGSYBXUZRPVAA-UHFFFAOYSA-N 0 0 420.843 6.398 50 0 HKAARN O=C(Nc1ccc(C(=O)NCc2ccccc2Cl)cc1)c1nsc2ccccc21 ZINC000008599245 571089190 /nfs/dbraw/zinc/08/91/90/571089190.db2.gz KRZOCHBUHMQSJQ-UHFFFAOYSA-N 0 0 421.909 5.132 50 0 HKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1cc(OC)ccc1OC ZINC000008599254 571089179 /nfs/dbraw/zinc/08/91/79/571089179.db2.gz VALZMDUVTRNKJW-UHFFFAOYSA-N 0 0 423.490 5.000 50 0 HKAARN C[C@H](NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1)c1ccccc1 ZINC000008599258 571089160 /nfs/dbraw/zinc/08/91/60/571089160.db2.gz BWLDLAIYRTYQHE-HNNXBMFYSA-N 0 0 401.491 5.040 50 0 HKAARN C[C@@H](NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1)c1ccccc1 ZINC000008599261 571089209 /nfs/dbraw/zinc/08/92/09/571089209.db2.gz BWLDLAIYRTYQHE-OAHLLOKOSA-N 0 0 401.491 5.040 50 0 HKAARN CCn1c(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc2c2ccccc21 ZINC000008599327 571089007 /nfs/dbraw/zinc/08/90/07/571089007.db2.gz CPLKKGRZDKSBBN-UHFFFAOYSA-N 0 0 416.424 5.507 50 0 HKAARN C[C@H](NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)c1ccccc1 ZINC000008599585 571089147 /nfs/dbraw/zinc/08/91/47/571089147.db2.gz YBKAOEBVNMBYQL-HNNXBMFYSA-N 0 0 401.491 5.040 50 0 HKAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)c1ccccc1 ZINC000008599589 571089206 /nfs/dbraw/zinc/08/92/06/571089206.db2.gz YBKAOEBVNMBYQL-OAHLLOKOSA-N 0 0 401.491 5.040 50 0 HKAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)c1 ZINC000008599691 571089416 /nfs/dbraw/zinc/08/94/16/571089416.db2.gz DPAQEMSGPATGJG-UHFFFAOYSA-N 0 0 424.909 5.840 50 0 HKAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000008599791 571089499 /nfs/dbraw/zinc/08/94/99/571089499.db2.gz ZUPCFAAFKBRFHF-VWLOTQADSA-N 0 0 416.521 5.573 50 0 aggregator HKAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000008599793 571089453 /nfs/dbraw/zinc/08/94/53/571089453.db2.gz ZUPCFAAFKBRFHF-RUZDIDTESA-N 0 0 416.521 5.573 50 0 aggregator HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000008599834 571089519 /nfs/dbraw/zinc/08/95/19/571089519.db2.gz JJOVQVWOTSPFDG-AREMUKBSSA-N 0 0 409.533 5.330 50 0 aggregator HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000008599837 571089502 /nfs/dbraw/zinc/08/95/02/571089502.db2.gz JJOVQVWOTSPFDG-SANMLTNESA-N 0 0 409.533 5.330 50 0 aggregator HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000008599909 571089432 /nfs/dbraw/zinc/08/94/32/571089432.db2.gz VAAUTKOGNVLRTH-AREMUKBSSA-N 0 0 412.558 5.743 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1 ZINC000008599913 571089469 /nfs/dbraw/zinc/08/94/69/571089469.db2.gz VAAUTKOGNVLRTH-SANMLTNESA-N 0 0 412.558 5.743 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1 ZINC000008599949 571089506 /nfs/dbraw/zinc/08/95/06/571089506.db2.gz QCPGJGRSTNFRQF-AREMUKBSSA-N 0 0 402.538 5.621 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1 ZINC000008599951 571089455 /nfs/dbraw/zinc/08/94/55/571089455.db2.gz QCPGJGRSTNFRQF-SANMLTNESA-N 0 0 402.538 5.621 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1 ZINC000008600012 571089446 /nfs/dbraw/zinc/08/94/46/571089446.db2.gz AKUUDINQUINVAS-AREMUKBSSA-N 0 0 418.606 6.334 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1 ZINC000008600014 571089457 /nfs/dbraw/zinc/08/94/57/571089457.db2.gz AKUUDINQUINVAS-SANMLTNESA-N 0 0 418.606 6.334 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)c1 ZINC000008600029 571089541 /nfs/dbraw/zinc/08/95/41/571089541.db2.gz GFZCWQZXMDQXJX-HHHXNRCGSA-N 0 0 416.565 6.011 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)c1 ZINC000008600032 571089420 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/nfs/dbraw/zinc/09/47/93/571094793.db2.gz NQYQZKKECDSUNJ-UHFFFAOYSA-N 0 0 417.509 5.430 50 0 HKAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4ccccc4Cl)cc3o2)cc1 ZINC000008611500 571094733 /nfs/dbraw/zinc/09/47/33/571094733.db2.gz BZHSZPHOLYOWOW-UHFFFAOYSA-N 0 0 406.869 5.011 50 0 HKAARN COc1ccc(Cc2nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3o2)cc1 ZINC000008611504 571094822 /nfs/dbraw/zinc/09/48/22/571094822.db2.gz MYINLWYWZREBQQ-UHFFFAOYSA-N 0 0 420.896 5.053 50 0 biogenic HKAARN COc1ccccc1-c1nn(CCC(=O)Nc2ccc(C)cc2)c2nc(C)cc(C)c12 ZINC000008611547 571094695 /nfs/dbraw/zinc/09/46/95/571094695.db2.gz IGHDWBXHXJXADG-UHFFFAOYSA-N 0 0 414.509 5.061 50 0 HKAARN CC(C)Oc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000008611600 569210543 /nfs/dbraw/zinc/21/05/43/569210543.db2.gz HOJPEUPTFIJEMS-UHFFFAOYSA-N 0 0 400.478 5.136 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611639 571094798 /nfs/dbraw/zinc/09/47/98/571094798.db2.gz ABERFQGQEASCTO-UHFFFAOYSA-N 0 0 404.897 5.239 50 0 HKAARN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccccc1 ZINC000008611846 571095109 /nfs/dbraw/zinc/09/51/09/571095109.db2.gz PJRQAIPTRSGELH-UHFFFAOYSA-N 0 0 423.394 5.024 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C)cc23)cc1 ZINC000008611937 571095093 /nfs/dbraw/zinc/09/50/93/571095093.db2.gz FFXIVATZQCPHAA-UHFFFAOYSA-N 0 0 423.468 6.208 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000008611982 571095098 /nfs/dbraw/zinc/09/50/98/571095098.db2.gz PYZIBSPJLGOMQA-UHFFFAOYSA-N 0 0 423.468 6.208 50 0 HKAARN Cc1cccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccccc3)c(=O)[nH]c12 ZINC000008612000 571095067 /nfs/dbraw/zinc/09/50/67/571095067.db2.gz PBUIHQFUHYEWCH-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN CCc1ccc2occ(CC(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)c2c1 ZINC000008612001 571095113 /nfs/dbraw/zinc/09/51/13/571095113.db2.gz ISNQCFSQIHSRMF-UHFFFAOYSA-N 0 0 423.468 6.154 50 0 HKAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1 ZINC000008612031 571095111 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/nfs/dbraw/zinc/09/54/09/571095409.db2.gz ILDHKEVZMXSCML-UHFFFAOYSA-N 0 0 416.731 6.115 50 0 aggregator HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 ZINC000008613710 557796605 /nfs/dbraw/zinc/79/66/05/557796605.db2.gz MRLMXQGVKHJRGB-UHFFFAOYSA-N 0 0 402.807 5.772 50 0 HKAARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000008614131 571095728 /nfs/dbraw/zinc/09/57/28/571095728.db2.gz RNYPVJCESUONBI-UHFFFAOYSA-N 0 0 420.534 5.243 50 0 HKAARN Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000008614150 571095775 /nfs/dbraw/zinc/09/57/75/571095775.db2.gz QPTDRCNUAVQBAL-UHFFFAOYSA-N 0 0 404.535 5.543 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000008614156 571095697 /nfs/dbraw/zinc/09/56/97/571095697.db2.gz YKVZNKUBOQSZCD-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]CCc3ccccc3C)c(C(=O)[O-])c2C)cc1 ZINC000008614227 571095793 /nfs/dbraw/zinc/09/57/93/571095793.db2.gz AHEFCXSHSIFMTR-UHFFFAOYSA-N 0 0 402.538 5.135 50 0 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/nfs/dbraw/zinc/09/58/00/571095800.db2.gz BHFMKKQWHRGPRM-UHFFFAOYSA-N 0 0 412.496 6.362 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)c1 ZINC000008617325 571095804 /nfs/dbraw/zinc/09/58/04/571095804.db2.gz RXZCZXLPNHFQLE-UHFFFAOYSA-N 0 0 414.530 5.690 50 0 HKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccc(F)c3)[nH]c12 ZINC000008617330 571095802 /nfs/dbraw/zinc/09/58/02/571095802.db2.gz CDIYTCOPXREZPO-UHFFFAOYSA-N 0 0 418.493 5.520 50 0 HKAARN CC(C)Sc1nc2sc3c(c2c(NCc2ccccn2)n1)CC(C)(C)OC3 ZINC000008617990 571095778 /nfs/dbraw/zinc/09/57/78/571095778.db2.gz KJROBNAJILORAD-UHFFFAOYSA-N 0 0 400.573 5.050 50 0 HKAARN CC(C)Sc1nc2sc3c(c2c(NCc2cccnc2)n1)CC(C)(C)OC3 ZINC000008617991 571095766 /nfs/dbraw/zinc/09/57/66/571095766.db2.gz CCSNFXYMGRKATH-UHFFFAOYSA-N 0 0 400.573 5.050 50 0 HKAARN O=C(NCCSCc1c(F)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000008618196 557797193 /nfs/dbraw/zinc/79/71/93/557797193.db2.gz WXMFAHPQECQXKV-UHFFFAOYSA-N 0 0 422.831 5.433 50 0 HKAARN O=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000008618263 557797167 /nfs/dbraw/zinc/79/71/67/557797167.db2.gz JGLHXNUXSFQJLE-UHFFFAOYSA-N 0 0 420.818 6.473 50 0 HKAARN O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000008618291 557797163 /nfs/dbraw/zinc/79/71/63/557797163.db2.gz CAXCKFVALGRRIJ-UHFFFAOYSA-N 0 0 421.802 5.961 50 0 HKAARN O=S(=O)(CCSCc1csc2ccccc12)c1ccc(Cl)cc1Cl ZINC000008618316 557797290 /nfs/dbraw/zinc/79/72/90/557797290.db2.gz HUOOSGIEENAPCE-UHFFFAOYSA-N 0 0 417.404 5.915 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000008618318 571096038 /nfs/dbraw/zinc/09/60/38/571096038.db2.gz AUBMVBYAUKFYTO-QHCPKHFHSA-N 0 0 423.560 6.037 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000008618319 571096060 /nfs/dbraw/zinc/09/60/60/571096060.db2.gz AUBMVBYAUKFYTO-HSZRJFAPSA-N 0 0 423.560 6.037 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3N3CCCC[C@@H]3C)c2c2c1COC(C)(C)C2 ZINC000008618324 132331698 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CC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1C ZINC000008621103 571096300 /nfs/dbraw/zinc/09/63/00/571096300.db2.gz RYQXDNJRZVDUHJ-UHFFFAOYSA-N 0 0 406.532 5.104 50 0 HKAARN CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)CC1 ZINC000008624437 132331695 /nfs/dbraw/zinc/33/16/95/132331695.db2.gz TURWTGGVXCTUPI-UHFFFAOYSA-N 0 0 400.551 5.632 50 0 HKAARN CCCCN(C)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 ZINC000008625571 571096898 /nfs/dbraw/zinc/09/68/98/571096898.db2.gz SAYULWBUGGMDHE-UHFFFAOYSA-N 0 0 400.617 5.639 50 0 HKAARN CCCCNc1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000008625720 571096811 /nfs/dbraw/zinc/09/68/11/571096811.db2.gz FKAIALJQIODVAA-UHFFFAOYSA-N 0 0 420.607 6.329 50 0 HKAARN CCCCOc1ccccc1-c1nc2c(c3nc4ccccc4n31)Cc1ccccc1O2 ZINC000008625774 557797347 /nfs/dbraw/zinc/79/73/47/557797347.db2.gz ZUMMYMOQRLWSGF-UHFFFAOYSA-N 0 0 421.500 6.425 50 0 HKAARN Cc1cc(C2=Nc3ccccc3S[C@H](c3c(F)cccc3Cl)C2)ccc1Cl ZINC000008626588 557797578 /nfs/dbraw/zinc/79/75/78/557797578.db2.gz 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/nfs/dbraw/zinc/63/83/89/560638389.db2.gz OAKBJDQYRXUDBW-XYOKQWHBSA-N 0 0 411.498 5.147 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H](C)c1cccs1 ZINC000008762948 571114327 /nfs/dbraw/zinc/11/43/27/571114327.db2.gz NAIQPCHENPKAOH-KRWDZBQOSA-N 0 0 417.534 5.160 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H](C)c1cccs1 ZINC000008762950 524286267 /nfs/dbraw/zinc/28/62/67/524286267.db2.gz NAIQPCHENPKAOH-QGZVFWFLSA-N 0 0 417.534 5.160 50 0 HKAARN Brc1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 ZINC000008762967 571114311 /nfs/dbraw/zinc/11/43/11/571114311.db2.gz HFTOQUBDWIKRIK-UHFFFAOYSA-N 0 0 423.335 6.214 50 0 HKAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2c(F)cccc2F)n1 ZINC000008762999 525922652 /nfs/dbraw/zinc/92/26/52/525922652.db2.gz JAOFSLYCRXXGIP-HNNXBMFYSA-N 0 0 422.406 5.796 50 0 HKAARN COc1cc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1OC ZINC000008763079 522212119 /nfs/dbraw/zinc/21/21/19/522212119.db2.gz ZTUDGLQPPZAXDE-UHFFFAOYSA-N 0 0 416.452 5.619 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(Cl)ccc1Cl)C1CCN3CC1 ZINC000008763205 557805822 /nfs/dbraw/zinc/80/58/22/557805822.db2.gz MKZGWPRBMKWZPR-UHFFFAOYSA-N 0 0 419.337 5.135 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN3CC1 ZINC000008763206 557805895 /nfs/dbraw/zinc/80/58/95/557805895.db2.gz ZAXWIBBZRFKYKZ-UHFFFAOYSA-N 0 0 419.337 5.135 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)cc1Cl)C1CCN3CC1 ZINC000008763221 557805926 /nfs/dbraw/zinc/80/59/26/557805926.db2.gz QCDCKMXQNKBDPZ-UHFFFAOYSA-N 0 0 419.337 5.135 50 0 HKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(SCc3ccc(Cl)cc3)nc2n1 ZINC000008763259 571114381 /nfs/dbraw/zinc/11/43/81/571114381.db2.gz CQZAFHYSRUFYEZ-UHFFFAOYSA-N 0 0 422.781 6.613 50 0 HKAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccccc2F)c1C ZINC000008763399 571114368 /nfs/dbraw/zinc/11/43/68/571114368.db2.gz GCKAJAMSOVLXAJ-NRFANRHFSA-N 0 0 421.497 5.946 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ncc(Cc2ccccc2)s1 ZINC000008763741 557805918 /nfs/dbraw/zinc/80/59/18/557805918.db2.gz NTUASUKCOQURSP-UHFFFAOYSA-N 0 0 423.588 5.588 50 0 HKAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc1c2C ZINC000008764814 571114991 /nfs/dbraw/zinc/11/49/91/571114991.db2.gz RVISDKVLNALCFF-UHFFFAOYSA-N 0 0 400.434 5.127 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc2c1C ZINC000008764854 569031973 /nfs/dbraw/zinc/03/19/73/569031973.db2.gz QDULRNIDFNLVOE-UHFFFAOYSA-N 0 0 400.434 5.127 50 0 biogenic HKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)CCc3ccco3)c(C)c21 ZINC000008765017 571115454 /nfs/dbraw/zinc/11/54/54/571115454.db2.gz UVNIMTQEQAFQGY-AWEZNQCLSA-N 0 0 421.493 5.046 50 0 biogenic HKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@H](C)CCc3ccco3)c(C)c21 ZINC000008765018 571115438 /nfs/dbraw/zinc/11/54/38/571115438.db2.gz UVNIMTQEQAFQGY-CQSZACIVSA-N 0 0 421.493 5.046 50 0 biogenic HKAARN CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000008765367 571115451 /nfs/dbraw/zinc/11/54/51/571115451.db2.gz LGFQORQNTPGMCN-UHFFFAOYSA-N 0 0 417.461 5.238 50 0 biogenic HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc2c1C ZINC000008765506 569246426 /nfs/dbraw/zinc/24/64/26/569246426.db2.gz ZOGHYMDDXNHPCZ-UHFFFAOYSA-N 0 0 414.461 5.517 50 0 biogenic HKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000008766691 571115602 /nfs/dbraw/zinc/11/56/02/571115602.db2.gz ZONYZKLNGMMSCG-GHTZIAJQSA-N 0 0 412.002 6.246 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000008766693 571115626 /nfs/dbraw/zinc/11/56/26/571115626.db2.gz ZONYZKLNGMMSCG-WIYYLYMNSA-N 0 0 412.002 6.246 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3)s2)cc1 ZINC000008766729 557806316 /nfs/dbraw/zinc/80/63/16/557806316.db2.gz KLMFEUCHOSAWBY-UHFFFAOYSA-N 0 0 404.948 5.577 50 0 HKAARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000008767129 571115740 /nfs/dbraw/zinc/11/57/40/571115740.db2.gz YTVAOPWZDOGGAE-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000008767131 571115718 /nfs/dbraw/zinc/11/57/18/571115718.db2.gz YTVAOPWZDOGGAE-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000008767150 571115724 /nfs/dbraw/zinc/11/57/24/571115724.db2.gz DHFTXTSTQGQOOY-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000008767509 571116046 /nfs/dbraw/zinc/11/60/46/571116046.db2.gz QZOWIYPOVPWQGW-UHFFFAOYSA-N 0 0 402.907 5.681 50 0 HKAARN CC(C)Cn1nc(NC(=O)c2ccccc2Br)c2cc3ccccc3nc21 ZINC000008767620 571115968 /nfs/dbraw/zinc/11/59/68/571115968.db2.gz ZZRBRWMBCXGHGY-UHFFFAOYSA-N 0 0 423.314 5.255 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000008768150 571116036 /nfs/dbraw/zinc/11/60/36/571116036.db2.gz QFCPMCXYUSSNEN-DENIHFKCSA-N 0 0 422.868 5.270 50 0 HKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)c(Cl)c1 ZINC000008768282 557806303 /nfs/dbraw/zinc/80/63/03/557806303.db2.gz VYDIEPHOVHAUKW-FXAWDEMLSA-N 0 0 419.695 6.482 50 0 HKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c(Cl)c1 ZINC000008768286 557806402 /nfs/dbraw/zinc/80/64/02/557806402.db2.gz VYDIEPHOVHAUKW-YLJYHZDGSA-N 0 0 419.695 6.482 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000008768289 571116022 /nfs/dbraw/zinc/11/60/22/571116022.db2.gz RKFAOJPZUYMLKR-UHFFFAOYSA-N 0 0 422.790 5.830 50 0 HKAARN COc1ccc(Cc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008768315 557806335 /nfs/dbraw/zinc/80/63/35/557806335.db2.gz KFXRAXUEYNNYEG-UHFFFAOYSA-N 0 0 409.298 5.088 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008768343 571116385 /nfs/dbraw/zinc/11/63/85/571116385.db2.gz UOBZOJISXULDIF-UHFFFAOYSA-N 0 0 411.939 6.148 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000008768594 571116345 /nfs/dbraw/zinc/11/63/45/571116345.db2.gz XGNKTZMTXWYBID-UHFFFAOYSA-N 0 0 400.507 5.671 50 0 HKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000008768865 571116368 /nfs/dbraw/zinc/11/63/68/571116368.db2.gz RTPYAYZJNPZZRF-UHFFFAOYSA-N 0 0 424.953 5.714 50 0 HKAARN COC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C ZINC000008769234 571307368 /nfs/dbraw/zinc/30/73/68/571307368.db2.gz MRNNSMZNLASOII-UHFFFAOYSA-N 0 0 401.296 5.012 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 ZINC000008769236 571116331 /nfs/dbraw/zinc/11/63/31/571116331.db2.gz UJGIMBMTZHYBBE-HNNXBMFYSA-N 0 0 403.869 5.548 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 ZINC000008769241 571116349 /nfs/dbraw/zinc/11/63/49/571116349.db2.gz UJGIMBMTZHYBBE-OAHLLOKOSA-N 0 0 403.869 5.548 50 0 HKAARN Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1C ZINC000008769309 571116669 /nfs/dbraw/zinc/11/66/69/571116669.db2.gz ZDZLLJINUOPJEA-UHFFFAOYSA-N 0 0 423.325 5.685 50 0 HKAARN Cc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc32)cc1 ZINC000008769512 571116622 /nfs/dbraw/zinc/11/66/22/571116622.db2.gz CURGLLLCDCGYJF-UHFFFAOYSA-N 0 0 422.572 6.581 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000008769602 557806604 /nfs/dbraw/zinc/80/66/04/557806604.db2.gz JJQIMHRXIIBNCA-UHFFFAOYSA-N 0 0 401.919 5.320 50 0 HKAARN Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000008769706 571116684 /nfs/dbraw/zinc/11/66/84/571116684.db2.gz NJIHLADVCCHZFB-QFIPXVFZSA-N 0 0 419.322 5.749 50 0 HKAARN Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000008769709 571116566 /nfs/dbraw/zinc/11/65/66/571116566.db2.gz NJIHLADVCCHZFB-JOCHJYFZSA-N 0 0 419.322 5.749 50 0 HKAARN COc1cccc(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000008769755 571116619 /nfs/dbraw/zinc/11/66/19/571116619.db2.gz IYEVWJPYALMABM-NRFANRHFSA-N 0 0 418.924 5.321 50 0 HKAARN COc1cccc(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000008769759 571116947 /nfs/dbraw/zinc/11/69/47/571116947.db2.gz IYEVWJPYALMABM-OAQYLSRUSA-N 0 0 418.924 5.321 50 0 HKAARN COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)sc2c1 ZINC000008769947 557806606 /nfs/dbraw/zinc/80/66/06/557806606.db2.gz QLUIWCYVFKTFKM-UHFFFAOYSA-N 0 0 418.902 6.078 50 0 HKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000008769992 571116838 /nfs/dbraw/zinc/11/68/38/571116838.db2.gz DKFXWGRPUSMABX-UHFFFAOYSA-N 0 0 402.907 5.681 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008770016 571116842 /nfs/dbraw/zinc/11/68/42/571116842.db2.gz PXIVQLMNUBRCTP-UHFFFAOYSA-N 0 0 411.836 5.480 50 0 HKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000008770172 557806548 /nfs/dbraw/zinc/80/65/48/557806548.db2.gz BZSPITWPULYJTI-CQSZACIVSA-N 0 0 412.515 5.283 50 0 HKAARN CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000008770177 557806622 /nfs/dbraw/zinc/80/66/22/557806622.db2.gz BZSPITWPULYJTI-AWEZNQCLSA-N 0 0 412.515 5.283 50 0 HKAARN COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000008771722 571117229 /nfs/dbraw/zinc/11/72/29/571117229.db2.gz KBKZWXVUSWBONS-UHFFFAOYSA-N 0 0 416.477 5.779 50 0 HKAARN CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 ZINC000008771740 571117199 /nfs/dbraw/zinc/11/71/99/571117199.db2.gz XFZSNQTWFDZHLQ-CYBMUJFWSA-N 0 0 400.479 5.414 50 0 HKAARN CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 ZINC000008771742 571117217 /nfs/dbraw/zinc/11/72/17/571117217.db2.gz XFZSNQTWFDZHLQ-ZDUSSCGKSA-N 0 0 400.479 5.414 50 0 HKAARN Cc1ccc(OCc2nnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000008771754 571117203 /nfs/dbraw/zinc/11/72/03/571117203.db2.gz UUNAVZYDCOUUKK-UHFFFAOYSA-N 0 0 415.518 5.196 50 0 HKAARN Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NC1CCCCCC1 ZINC000008771781 571117248 /nfs/dbraw/zinc/11/72/48/571117248.db2.gz CISYWEOZIMJVOL-UHFFFAOYSA-N 0 0 406.939 5.202 50 0 HKAARN COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000008771878 571117276 /nfs/dbraw/zinc/11/72/76/571117276.db2.gz JWNPDSOPYCVVIF-UHFFFAOYSA-N 0 0 420.896 5.999 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)CN(Cc3ccco3)Cc3cccs3)c2)cs1 ZINC000008772341 571117572 /nfs/dbraw/zinc/11/75/72/571117572.db2.gz QPKLIAMALIKACJ-UHFFFAOYSA-N 0 0 423.563 5.414 50 0 HKAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000008772471 571117647 /nfs/dbraw/zinc/11/76/47/571117647.db2.gz BUUIZYUTLGQQCL-UHFFFAOYSA-N 0 0 416.344 5.203 50 0 HKAARN C[S@@](=O)c1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000008773024 571117637 /nfs/dbraw/zinc/11/76/37/571117637.db2.gz PSEILGFONRWDBD-NDEPHWFRSA-N 0 0 420.334 5.179 50 0 HKAARN C[S@](=O)c1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000008773025 571117606 /nfs/dbraw/zinc/11/76/06/571117606.db2.gz PSEILGFONRWDBD-MUUNZHRXSA-N 0 0 420.334 5.179 50 0 HKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008773115 571117662 /nfs/dbraw/zinc/11/76/62/571117662.db2.gz DCANLZZDWGBFHM-HNNXBMFYSA-N 0 0 413.351 5.129 50 0 HKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008773116 571117600 /nfs/dbraw/zinc/11/76/00/571117600.db2.gz DCANLZZDWGBFHM-OAHLLOKOSA-N 0 0 413.351 5.129 50 0 HKAARN COc1ccc(C(=O)CCSCCSCCC(=O)c2ccc(OC)cc2)cc1 ZINC000008773170 569390232 /nfs/dbraw/zinc/39/02/32/569390232.db2.gz VDVOKOYRYFOZRT-UHFFFAOYSA-N 0 0 418.580 5.016 50 0 HKAARN CCOc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc2c1 ZINC000008774893 571117846 /nfs/dbraw/zinc/11/78/46/571117846.db2.gz MIEOITGEPUJCSZ-IBGZPJMESA-N 0 0 411.889 5.214 50 0 HKAARN CCOc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc2c1 ZINC000008774896 571117818 /nfs/dbraw/zinc/11/78/18/571117818.db2.gz MIEOITGEPUJCSZ-LJQANCHMSA-N 0 0 411.889 5.214 50 0 HKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2ccsc2)n1 ZINC000008777547 571118052 /nfs/dbraw/zinc/11/80/52/571118052.db2.gz KQYRKKPOZKWQEK-UHFFFAOYSA-N 0 0 421.551 5.109 50 0 HKAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008777549 571118070 /nfs/dbraw/zinc/11/80/70/571118070.db2.gz ANERROHTFKSFOK-UHFFFAOYSA-N 0 0 422.532 5.169 50 0 HKAARN CCCn1c2ccccc2nc1C(O)(c1nc2ccccc2n1CCC)C(F)(F)F ZINC000008778689 571118534 /nfs/dbraw/zinc/11/85/34/571118534.db2.gz FSVCEDJYRCIDLZ-UHFFFAOYSA-N 0 0 416.447 5.004 50 0 HKAARN C[C@H](CCC(=O)Nc1nc2ccccc2s1)CC(=O)Nc1nc2ccccc2s1 ZINC000008781090 557808438 /nfs/dbraw/zinc/80/84/38/557808438.db2.gz ZTPVDRRAGMRLEE-CYBMUJFWSA-N 0 0 424.551 5.290 50 0 HKAARN CSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 ZINC000008781237 557808411 /nfs/dbraw/zinc/80/84/11/557808411.db2.gz YSEYWDKAOMACHK-LJQANCHMSA-N 0 0 422.897 5.677 50 0 HKAARN FC(F)(F)c1cnc(Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 ZINC000008781570 571118875 /nfs/dbraw/zinc/11/88/75/571118875.db2.gz UAWBQEVWTGBHBL-UHFFFAOYSA-N 0 0 415.124 5.060 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)OC/C=C/COc1ncc(C(F)(F)F)cc1Cl ZINC000008781663 571119261 /nfs/dbraw/zinc/11/92/61/571119261.db2.gz DCVZXWCMVSHRKF-OWOJBTEDSA-N 0 0 421.202 5.591 50 0 HKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-c4ccc(Cl)cc4)n3c2n1 ZINC000008781668 571119193 /nfs/dbraw/zinc/11/91/93/571119193.db2.gz HHEQYXDRIOMZFT-UHFFFAOYSA-N 0 0 416.712 5.636 50 0 HKAARN COc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2-c2cccnc2Cl)cc1 ZINC000008781679 571119259 /nfs/dbraw/zinc/11/92/59/571119259.db2.gz ZZDZIWOFEZHZEZ-UHFFFAOYSA-N 0 0 418.711 6.115 50 0 HKAARN Cc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc1CS2 ZINC000008781753 571119275 /nfs/dbraw/zinc/11/92/75/571119275.db2.gz ZGKKOKLYSYIJCU-UHFFFAOYSA-N 0 0 421.465 6.480 50 0 HKAARN Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000008781798 571119199 /nfs/dbraw/zinc/11/91/99/571119199.db2.gz CVMMRJAERHLUEP-OVCLIPMQSA-N 0 0 422.322 5.988 50 0 HKAARN Cc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000008781804 571119284 /nfs/dbraw/zinc/11/92/84/571119284.db2.gz FXNDPWOSPDEZTP-XNTDXEJSSA-N 0 0 422.322 5.988 50 0 HKAARN FC(F)(F)c1cccc(CSc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 ZINC000008781903 571119203 /nfs/dbraw/zinc/11/92/03/571119203.db2.gz ZMRXEPQNUNSIMR-UHFFFAOYSA-N 0 0 415.362 5.869 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000008781912 571119207 /nfs/dbraw/zinc/11/92/07/571119207.db2.gz FFZASIDHDGENKO-UHFFFAOYSA-N 0 0 416.346 6.100 50 0 HKAARN Fc1ccc2sc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)nc2c1 ZINC000008781963 571119262 /nfs/dbraw/zinc/11/92/62/571119262.db2.gz SQYBNEAPKXRQTO-UHFFFAOYSA-N 0 0 417.534 6.785 50 0 HKAARN O=C(Nc1ccccc1)OCc1cccnc1Sc1ccc(Br)cc1 ZINC000008781970 571119214 /nfs/dbraw/zinc/11/92/14/571119214.db2.gz PPCUYRAWBDFIBM-UHFFFAOYSA-N 0 0 415.312 5.744 50 0 HKAARN Cc1ccc(Sc2ncccc2COC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000008781975 571119277 /nfs/dbraw/zinc/11/92/77/571119277.db2.gz VOFDROXKPZFLNV-UHFFFAOYSA-N 0 0 419.333 6.597 50 0 HKAARN Cc1ccc(Sc2ncccc2COC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000008781976 571119292 /nfs/dbraw/zinc/11/92/92/571119292.db2.gz QAMHNCOXHMOSQO-UHFFFAOYSA-N 0 0 418.440 6.309 50 0 HKAARN Fc1cc(Oc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)ccc1Cl ZINC000008782088 571119249 /nfs/dbraw/zinc/11/92/49/571119249.db2.gz ZOFSGVKYPBSYOS-UHFFFAOYSA-N 0 0 411.569 6.540 50 0 HKAARN O=C(c1ccc(F)cc1)n1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 ZINC000008782102 571119229 /nfs/dbraw/zinc/11/92/29/571119229.db2.gz IKKUUZQDNMBDBI-UHFFFAOYSA-N 0 0 424.834 5.749 50 0 HKAARN Cc1ccc(C(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1 ZINC000008782108 571119240 /nfs/dbraw/zinc/11/92/40/571119240.db2.gz JUOWUUYLNXEGFA-UHFFFAOYSA-N 0 0 420.871 5.919 50 0 HKAARN Cc1cccc(C(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)c1 ZINC000008782111 571119245 /nfs/dbraw/zinc/11/92/45/571119245.db2.gz ASCHBWSJADQVGR-UHFFFAOYSA-N 0 0 420.871 5.919 50 0 HKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008782157 571119288 /nfs/dbraw/zinc/11/92/88/571119288.db2.gz CROQXHBXJOYFDE-UHFFFAOYSA-N 0 0 421.728 5.366 50 0 HKAARN COc1cccc2c1CCc1cc3cc(Br)cc(Br)c3nc1-2 ZINC000008782195 571119543 /nfs/dbraw/zinc/11/95/43/571119543.db2.gz KPVWJIGWQLAJEU-UHFFFAOYSA-N 0 0 419.116 5.534 50 0 HKAARN Brc1cc(Br)c2nc(-c3ccc4ccccc4c3)ccc2c1 ZINC000008782248 571119592 /nfs/dbraw/zinc/11/95/92/571119592.db2.gz DLUHKXSSVQJHAZ-UHFFFAOYSA-N 0 0 413.112 6.580 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 ZINC000008782254 132333405 /nfs/dbraw/zinc/33/34/05/132333405.db2.gz LFSLRFCQEMYRAN-CYBMUJFWSA-N 0 0 415.242 5.641 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 ZINC000008782255 132333416 /nfs/dbraw/zinc/33/34/16/132333416.db2.gz LFSLRFCQEMYRAN-ZDUSSCGKSA-N 0 0 415.242 5.641 50 0 HKAARN Clc1ccc(Sc2cc3cc(Cl)ccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000008782262 571119549 /nfs/dbraw/zinc/11/95/49/571119549.db2.gz GFHMFUKWCWDSBQ-UHFFFAOYSA-N 0 0 416.760 8.013 50 0 HKAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000008782400 557808414 /nfs/dbraw/zinc/80/84/14/557808414.db2.gz BAGNNCDDTCIJKB-UHFFFAOYSA-N 0 0 400.548 5.213 50 0 HKAARN CCCSc1ccccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000008782421 557808472 /nfs/dbraw/zinc/80/84/72/557808472.db2.gz ZSBDZLBYCIFQCG-UHFFFAOYSA-N 0 0 419.959 5.525 50 0 HKAARN Cc1onc(C(=O)Nc2ccc(F)c(F)c2)c1COc1cccc(C(F)(F)F)c1 ZINC000008782495 571119495 /nfs/dbraw/zinc/11/94/95/571119495.db2.gz ULUMALCQXLTGAC-UHFFFAOYSA-N 0 0 412.314 5.111 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000008782718 557808705 /nfs/dbraw/zinc/80/87/05/557808705.db2.gz QZNUUOBVPHIGSO-BYRKXKEESA-N 0 0 423.626 6.043 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000008782719 557808624 /nfs/dbraw/zinc/80/86/24/557808624.db2.gz QZNUUOBVPHIGSO-WEKSBHCLSA-N 0 0 423.626 6.043 50 0 HKAARN CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000008782951 571119489 /nfs/dbraw/zinc/11/94/89/571119489.db2.gz XIRUETAAURBFGS-RUZDIDTESA-N 0 0 419.996 7.626 50 0 HKAARN O=C(CCNc1ccc(F)cc1)c1ccc(C(=O)CCNc2ccc(F)cc2)cc1 ZINC000008782955 571119501 /nfs/dbraw/zinc/11/95/01/571119501.db2.gz FAUCJXKQOUHCPI-UHFFFAOYSA-N 0 0 408.448 5.335 50 0 HKAARN COCCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2c1cc(O)c1ccccc21 ZINC000008782975 560210882 /nfs/dbraw/zinc/21/08/82/560210882.db2.gz HNOSTIQCHMQMOH-UHFFFAOYSA-N 0 0 423.896 5.313 50 0 biogenic,in-vitro HKAARN CCc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)c4ccccc4c32)cc1 ZINC000008782986 560210888 /nfs/dbraw/zinc/21/08/88/560210888.db2.gz IUMNYWCESZBOBH-UHFFFAOYSA-N 0 0 403.478 5.163 50 0 biogenic,in-vitro HKAARN COCCOC(=O)c1c(C)n(CCC2=CCCCC2)c2c1cc(O)c1ccccc21 ZINC000008782989 560210873 /nfs/dbraw/zinc/21/08/73/560210873.db2.gz XOPVRRBQWLCQBK-UHFFFAOYSA-N 0 0 407.510 5.502 50 0 biogenic,in-vitro HKAARN COCCOC(=O)c1c(C)n(-c2ccc(C)c(Cl)c2)c2c1cc(O)c1ccccc21 ZINC000008783001 560210885 /nfs/dbraw/zinc/21/08/85/560210885.db2.gz MFRFBIVUFSNZPZ-UHFFFAOYSA-N 0 0 423.896 5.563 50 0 biogenic,in-vitro HKAARN C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008783009 571119486 /nfs/dbraw/zinc/11/94/86/571119486.db2.gz SJQUGOULPDVNJS-OAHLLOKOSA-N 0 0 419.352 5.693 50 0 HKAARN C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008783010 571119484 /nfs/dbraw/zinc/11/94/84/571119484.db2.gz SJQUGOULPDVNJS-HNNXBMFYSA-N 0 0 419.352 5.693 50 0 HKAARN Cc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(C)cc3)cc2)cc1 ZINC000008783278 571119508 /nfs/dbraw/zinc/11/95/08/571119508.db2.gz YTHPWXHZCKCMPL-UHFFFAOYSA-N 0 0 400.522 5.673 50 0 HKAARN CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)cc1 ZINC000008783291 571119475 /nfs/dbraw/zinc/11/94/75/571119475.db2.gz NJOHJDWOSSPAKV-DEOSSOPVSA-N 0 0 421.581 7.271 50 0 HKAARN CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)cc1 ZINC000008783292 571119454 /nfs/dbraw/zinc/11/94/54/571119454.db2.gz NJOHJDWOSSPAKV-XMMPIXPASA-N 0 0 421.581 7.271 50 0 HKAARN Cc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783303 571119581 /nfs/dbraw/zinc/11/95/81/571119581.db2.gz WKQJINZXJQJNIG-DEOSSOPVSA-N 0 0 405.969 7.372 50 0 HKAARN Cc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783304 571119569 /nfs/dbraw/zinc/11/95/69/571119569.db2.gz WKQJINZXJQJNIG-XMMPIXPASA-N 0 0 405.969 7.372 50 0 HKAARN CCc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783309 571119557 /nfs/dbraw/zinc/11/95/57/571119557.db2.gz VJZLRSSIMPGPAQ-VWLOTQADSA-N 0 0 403.541 7.112 50 0 HKAARN CCc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783310 571119566 /nfs/dbraw/zinc/11/95/66/571119566.db2.gz VJZLRSSIMPGPAQ-RUZDIDTESA-N 0 0 403.541 7.112 50 0 HKAARN CCc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783311 571119577 /nfs/dbraw/zinc/11/95/77/571119577.db2.gz NWMYXPKKGDXURB-VWLOTQADSA-N 0 0 419.996 7.626 50 0 HKAARN CCc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783312 571119583 /nfs/dbraw/zinc/11/95/83/571119583.db2.gz NWMYXPKKGDXURB-RUZDIDTESA-N 0 0 419.996 7.626 50 0 HKAARN CCc1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(Cl)cc2)cc1 ZINC000008783324 560210955 /nfs/dbraw/zinc/21/09/55/560210955.db2.gz ZAEJMEASFPTBLM-OAQYLSRUSA-N 0 0 407.897 6.057 50 0 biogenic,in-vitro HKAARN CCc1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(Cl)cc2)cc1 ZINC000008783325 560210957 /nfs/dbraw/zinc/21/09/57/560210957.db2.gz ZAEJMEASFPTBLM-NRFANRHFSA-N 0 0 407.897 6.057 50 0 biogenic,in-vitro HKAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Br)cc1 ZINC000008788717 571119893 /nfs/dbraw/zinc/11/98/93/571119893.db2.gz PKEMVZGUESXENU-UHFFFAOYSA-N 0 0 415.287 5.075 50 0 HKAARN CCOc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1OC ZINC000008790304 571119740 /nfs/dbraw/zinc/11/97/40/571119740.db2.gz GHHPOAMANWJCMI-FNZWTVRRSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1ccc([C@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1OC ZINC000008790305 571119887 /nfs/dbraw/zinc/11/98/87/571119887.db2.gz GHHPOAMANWJCMI-IBVKSMDESA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1OC ZINC000008790306 571119761 /nfs/dbraw/zinc/11/97/61/571119761.db2.gz GHHPOAMANWJCMI-RXFWQSSRSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1ccc([C@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1OC ZINC000008790307 571119813 /nfs/dbraw/zinc/11/98/13/571119813.db2.gz GHHPOAMANWJCMI-FQRUVTKNSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)c3ccccc3[C@@H]2c2[nH]c3ccccc3c21 ZINC000008791300 571119829 /nfs/dbraw/zinc/11/98/29/571119829.db2.gz RGWGCRLKPYTZHF-NBGIEHNGSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1c(F)cccc1Cl ZINC000008791306 571119907 /nfs/dbraw/zinc/11/99/07/571119907.db2.gz HHHWMYJKMNEGMA-UHFFFAOYSA-N 0 0 412.671 5.012 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000008791338 571120228 /nfs/dbraw/zinc/12/02/28/571120228.db2.gz UZANWKGUSNRANB-UHFFFAOYSA-N 0 0 414.701 5.426 50 0 HKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1cccnc1)occ3-c1ccccc1 ZINC000008792302 571120115 /nfs/dbraw/zinc/12/01/15/571120115.db2.gz LHWMHBKYVDDKNW-UHFFFAOYSA-N 0 0 424.456 5.481 50 0 biogenic HKAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccccn1)occ3-c1ccccc1 ZINC000008792323 571120168 /nfs/dbraw/zinc/12/01/68/571120168.db2.gz ZBAPWTBNKPDFIR-UHFFFAOYSA-N 0 0 424.456 5.481 50 0 biogenic HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccccn1)occ3-c1ccccc1 ZINC000008792487 571120144 /nfs/dbraw/zinc/12/01/44/571120144.db2.gz OTXDSUMRNIJHRY-UHFFFAOYSA-N 0 0 410.429 5.091 50 0 biogenic HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1cccnc1)occ3-c1ccccc1 ZINC000008792532 571120164 /nfs/dbraw/zinc/12/01/64/571120164.db2.gz XINHZONLMUXYQP-UHFFFAOYSA-N 0 0 410.429 5.091 50 0 biogenic HKAARN CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000008793902 571120015 /nfs/dbraw/zinc/12/00/15/571120015.db2.gz BXPRKZFVHMKGTL-UHFFFAOYSA-N 0 0 418.316 5.007 50 0 HKAARN CCCOc1c(=O)c2ccccc2oc1-c1cc(Br)c(OC)c(OC)c1 ZINC000008799043 571120522 /nfs/dbraw/zinc/12/05/22/571120522.db2.gz NGDJUUCDDZHXKH-UHFFFAOYSA-N 0 0 419.271 5.029 50 0 HKAARN COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O ZINC000008801800 571120657 /nfs/dbraw/zinc/12/06/57/571120657.db2.gz GGPYGVYOXGVFMN-UHFFFAOYSA-N 0 0 416.527 6.209 50 0 aggregator HKAARN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000008803118 560639599 /nfs/dbraw/zinc/63/95/99/560639599.db2.gz YCYGVBRBBWWNLH-UHFFFAOYSA-N 0 0 411.889 5.260 50 0 HKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008809800 557809521 /nfs/dbraw/zinc/80/95/21/557809521.db2.gz CSUIVKRJLGHZLK-UHFFFAOYSA-N 0 0 424.500 6.583 50 0 HKAARN CC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1Sc1ccc(F)cc1 ZINC000008811355 571120995 /nfs/dbraw/zinc/12/09/95/571120995.db2.gz PVYLWBPZGQBSDB-UHFFFAOYSA-N 0 0 408.498 5.174 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000008813893 571121062 /nfs/dbraw/zinc/12/10/62/571121062.db2.gz XJPODOXZNIJWLQ-UHFFFAOYSA-N 0 0 420.727 6.276 50 0 HKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000008814189 557809582 /nfs/dbraw/zinc/80/95/82/557809582.db2.gz RQQCHOJQGKVOEP-UHFFFAOYSA-N 0 0 422.282 5.253 50 0 HKAARN O=C(CSCCc1ccccn1)Nc1c(Cl)cc(Br)cc1Cl ZINC000008814302 571121095 /nfs/dbraw/zinc/12/10/95/571121095.db2.gz IRGBJKOLQJEVAK-UHFFFAOYSA-N 0 0 420.159 5.065 50 0 HKAARN O=C(Oc1ccc(Br)c2ccccc12)c1sc2ccccc2c1Cl ZINC000008815597 557809572 /nfs/dbraw/zinc/80/95/72/557809572.db2.gz TUVUZMFSFJPSKO-UHFFFAOYSA-N 0 0 417.711 6.690 50 0 HKAARN CCOc1ccc2nc(SCc3ccc(OC(F)(F)C(F)F)cc3)sc2c1 ZINC000008815678 557809608 /nfs/dbraw/zinc/80/96/08/557809608.db2.gz MPADDNSPRLKBNT-UHFFFAOYSA-N 0 0 417.449 6.224 50 0 HKAARN CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C ZINC000008816164 557809832 /nfs/dbraw/zinc/80/98/32/557809832.db2.gz DASMUCALWSLXOE-FPOVZHCZSA-N 0 0 421.459 6.054 50 0 HKAARN CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C ZINC000008816165 557809866 /nfs/dbraw/zinc/80/98/66/557809866.db2.gz DASMUCALWSLXOE-PZJWPPBQSA-N 0 0 421.459 6.054 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccccc1 ZINC000008816869 571121423 /nfs/dbraw/zinc/12/14/23/571121423.db2.gz CHMRMKGDLMVHLS-JLHYYAGUSA-N 0 0 419.278 5.024 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 ZINC000008818213 557810039 /nfs/dbraw/zinc/81/00/39/557810039.db2.gz SJKOZVRJAZIBOM-UHFFFAOYSA-N 0 0 424.978 6.370 50 0 HKAARN COc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 ZINC000008824066 571121678 /nfs/dbraw/zinc/12/16/78/571121678.db2.gz MRLDOYKXFVOQRV-UHFFFAOYSA-N 0 0 420.848 5.650 50 0 HKAARN Cc1c2ccccc2oc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008824668 571121888 /nfs/dbraw/zinc/12/18/88/571121888.db2.gz MWHHRHJNGMULJL-UHFFFAOYSA-N 0 0 424.806 5.124 50 0 HKAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ncc(Cl)cc1Cl ZINC000008824856 560639588 /nfs/dbraw/zinc/63/95/88/560639588.db2.gz SXTXOYBNPLSXML-UHFFFAOYSA-N 0 0 416.639 5.186 50 0 HKAARN Clc1cc(CSc2nnc(-c3ccccc3)c3ccccc32)c2c(c1)COCO2 ZINC000008824997 571122041 /nfs/dbraw/zinc/12/20/41/571122041.db2.gz OPNUPIISSXNBLX-UHFFFAOYSA-N 0 0 420.921 6.109 50 0 HKAARN CC(=O)N(c1nc(CSc2nnc(-c3ccc(C)cc3)o2)cs1)c1ccccc1 ZINC000008825002 571121918 /nfs/dbraw/zinc/12/19/18/571121918.db2.gz YEBUKMMVRXFITQ-UHFFFAOYSA-N 0 0 422.535 5.478 50 0 HKAARN Cc1ccc2c(CSc3nn(-c4ccc(F)cc4)c(=S)s3)cc(=O)oc2c1 ZINC000008825038 571121900 /nfs/dbraw/zinc/12/19/00/571121900.db2.gz NDYCFAABSOYOHY-UHFFFAOYSA-N 0 0 416.524 5.510 50 0 HKAARN CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccccc1 ZINC000008825363 571121921 /nfs/dbraw/zinc/12/19/21/571121921.db2.gz PEIWISIPGOPPDW-UHFFFAOYSA-N 0 0 424.529 5.625 50 0 HKAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc2c(c1)CCC2 ZINC000008825370 571122015 /nfs/dbraw/zinc/12/20/15/571122015.db2.gz SLSPAYPYCVCMBL-UHFFFAOYSA-N 0 0 417.556 5.022 50 0 HKAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1F ZINC000008825783 571122162 /nfs/dbraw/zinc/12/21/62/571122162.db2.gz VHNYZLDXSGUIGI-UHFFFAOYSA-N 0 0 424.859 6.068 50 0 HKAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000008826272 132333630 /nfs/dbraw/zinc/33/36/30/132333630.db2.gz OLETZFXYAXIDAU-UHFFFAOYSA-N 0 0 416.531 5.189 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)cc1Cl ZINC000008827161 571122282 /nfs/dbraw/zinc/12/22/82/571122282.db2.gz GJXPDBSFBHXRLI-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 ZINC000008827441 571122285 /nfs/dbraw/zinc/12/22/85/571122285.db2.gz BFPVGWSZLDOCNB-GOSISDBHSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000008827442 571122129 /nfs/dbraw/zinc/12/21/29/571122129.db2.gz BFPVGWSZLDOCNB-SFHVURJKSA-N 0 0 422.893 5.270 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccccn1 ZINC000008827470 571122518 /nfs/dbraw/zinc/12/25/18/571122518.db2.gz QWNFSVLTMFOLJO-LJQANCHMSA-N 0 0 423.255 5.245 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccccn1 ZINC000008827471 571122508 /nfs/dbraw/zinc/12/25/08/571122508.db2.gz QWNFSVLTMFOLJO-IBGZPJMESA-N 0 0 423.255 5.245 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000008827472 571122475 /nfs/dbraw/zinc/12/24/75/571122475.db2.gz WTPBAGWLKNVJFF-LJQANCHMSA-N 0 0 423.255 5.245 50 0 HKAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000008827473 571122510 /nfs/dbraw/zinc/12/25/10/571122510.db2.gz WTPBAGWLKNVJFF-IBGZPJMESA-N 0 0 423.255 5.245 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1ccccn1)C3=O ZINC000008827484 571122565 /nfs/dbraw/zinc/12/25/65/571122565.db2.gz QHVQNJIZVCLLKG-HSZRJFAPSA-N 0 0 424.500 5.544 50 0 HKAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1ccccn1)C3=O ZINC000008827485 571122484 /nfs/dbraw/zinc/12/24/84/571122484.db2.gz QHVQNJIZVCLLKG-QHCPKHFHSA-N 0 0 424.500 5.544 50 0 HKAARN COc1ccc(/C=C/c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1OC ZINC000008828373 571122499 /nfs/dbraw/zinc/12/24/99/571122499.db2.gz XCKLECBIKYVONC-FYWRMAATSA-N 0 0 422.488 5.215 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000008829318 557811177 /nfs/dbraw/zinc/81/11/77/557811177.db2.gz KIZORUVKWOWXMR-UHFFFAOYSA-N 0 0 422.440 5.672 50 0 HKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(Nc2ccccc2F)s1 ZINC000008829371 571122805 /nfs/dbraw/zinc/12/28/05/571122805.db2.gz NARZPCMTHLCMSZ-UHFFFAOYSA-N 0 0 408.241 5.501 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000008829929 557811163 /nfs/dbraw/zinc/81/11/63/557811163.db2.gz SYSBSGFAVACICZ-UHFFFAOYSA-N 0 0 421.305 5.568 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc2ccccc2o1 ZINC000008830802 571122873 /nfs/dbraw/zinc/12/28/73/571122873.db2.gz HETUKNYHNJSTIZ-UHFFFAOYSA-N 0 0 423.255 6.800 50 0 aggregator HKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1cc2ccccc2oc1=O ZINC000008830824 571122787 /nfs/dbraw/zinc/12/27/87/571122787.db2.gz JENXIXYLBGKPPR-UHFFFAOYSA-N 0 0 424.283 6.328 50 0 HKAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl ZINC000008830826 571122867 /nfs/dbraw/zinc/12/28/67/571122867.db2.gz GKXRLOHSWFITHX-UHFFFAOYSA-N 0 0 418.840 5.081 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc(Br)cc1 ZINC000008830828 571122795 /nfs/dbraw/zinc/12/27/95/571122795.db2.gz SCHJBXNRNUAUDY-NTEUORMPSA-N 0 0 419.278 5.024 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)oc2cc1C ZINC000008830849 557811249 /nfs/dbraw/zinc/81/12/49/557811249.db2.gz TXWXIQJBWWZCDY-UHFFFAOYSA-N 0 0 422.937 6.496 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2cc1C ZINC000008830850 557811238 /nfs/dbraw/zinc/81/12/38/557811238.db2.gz ZHFVOFKWARNYAU-UHFFFAOYSA-N 0 0 414.505 6.253 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000008830851 557811203 /nfs/dbraw/zinc/81/12/03/557811203.db2.gz SCPAYDQJVWCLLE-UHFFFAOYSA-N 0 0 406.489 5.697 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000008830891 571122841 /nfs/dbraw/zinc/12/28/41/571122841.db2.gz RFIJHJHUFGURIZ-UHFFFAOYSA-N 0 0 420.559 6.028 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1 ZINC000008830893 571122876 /nfs/dbraw/zinc/12/28/76/571122876.db2.gz YAEDWTHNSIGPCD-UHFFFAOYSA-N 0 0 420.559 6.028 50 0 HKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccccc1F ZINC000008830895 571122882 /nfs/dbraw/zinc/12/28/82/571122882.db2.gz YMDDAQKUSWGLMI-UHFFFAOYSA-N 0 0 424.522 5.859 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000008830938 571122820 /nfs/dbraw/zinc/12/28/20/571122820.db2.gz NQTLPEZMRQCCMI-UHFFFAOYSA-N 0 0 410.832 5.570 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000008830940 571122784 /nfs/dbraw/zinc/12/27/84/571122784.db2.gz OYTQBZFZEMEWEC-UHFFFAOYSA-N 0 0 410.832 5.570 50 0 aggregator HKAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000008830942 571122868 /nfs/dbraw/zinc/12/28/68/571122868.db2.gz SPOJVUFGHRDBBW-UHFFFAOYSA-N 0 0 420.896 5.993 50 0 HKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccco4)cc3s2)cc1 ZINC000008830948 571122752 /nfs/dbraw/zinc/12/27/52/571122752.db2.gz ACWREBPQADGTKE-UHFFFAOYSA-N 0 0 410.520 5.621 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000008830956 571122777 /nfs/dbraw/zinc/12/27/77/571122777.db2.gz QOWMDZAHZAIMOC-UHFFFAOYSA-N 0 0 424.762 5.037 50 0 HKAARN O=C(COCc1cc(-c2cccs2)on1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008831031 557811489 /nfs/dbraw/zinc/81/14/89/557811489.db2.gz JXMAELSAXQIQLF-UHFFFAOYSA-N 0 0 416.808 5.231 50 0 HKAARN O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1nccs1 ZINC000008834369 571123088 /nfs/dbraw/zinc/12/30/88/571123088.db2.gz USMZLNZZWUESHR-UHFFFAOYSA-N 0 0 422.573 6.141 50 0 HKAARN Clc1ccccc1/C=C/c1nn2c(nnc2-c2cccc(Br)c2)s1 ZINC000008834381 557811510 /nfs/dbraw/zinc/81/15/10/557811510.db2.gz DBFLUKNZSIDKIJ-CMDGGOBGSA-N 0 0 417.719 5.439 50 0 HKAARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cc2ccccc2oc1=O ZINC000008834512 571123138 /nfs/dbraw/zinc/12/31/38/571123138.db2.gz INEMXPATHQBBOO-UHFFFAOYSA-N 0 0 424.481 5.836 50 0 HKAARN Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1cccc(C(F)(F)F)c1)C(C)(C)N2 ZINC000008835960 557811501 /nfs/dbraw/zinc/81/15/01/557811501.db2.gz MTRXNWVRUANFAM-PLRJNAJWSA-N 0 0 420.525 7.005 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1C ZINC000008836388 571123176 /nfs/dbraw/zinc/12/31/76/571123176.db2.gz UXIHASCLIOXSCR-UHFFFAOYSA-N 0 0 422.937 5.642 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008836409 571122960 /nfs/dbraw/zinc/12/29/60/571122960.db2.gz IUVVUSRWRXYRGT-LADGPHEKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000008836411 571123163 /nfs/dbraw/zinc/12/31/63/571123163.db2.gz IUVVUSRWRXYRGT-ISKFKSNPSA-N 0 0 422.887 6.120 50 0 HKAARN Fc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 ZINC000008836505 571123240 /nfs/dbraw/zinc/12/32/40/571123240.db2.gz AROJYNWUCGYJKR-UHFFFAOYSA-N 0 0 419.257 5.537 50 0 HKAARN CC[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000008837046 571123442 /nfs/dbraw/zinc/12/34/42/571123442.db2.gz ISRVPVBTCWVGJJ-NRFANRHFSA-N 0 0 421.953 6.188 50 0 HKAARN CC[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000008837047 571123428 /nfs/dbraw/zinc/12/34/28/571123428.db2.gz ISRVPVBTCWVGJJ-OAQYLSRUSA-N 0 0 421.953 6.188 50 0 HKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000008837576 571123284 /nfs/dbraw/zinc/12/32/84/571123284.db2.gz PKWQUTQPDLGMGA-UHFFFAOYSA-N 0 0 424.331 7.136 50 0 HKAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)C2(CCCCC2)Cc2ccc(C)cc2-3)cc1 ZINC000008837719 571123488 /nfs/dbraw/zinc/12/34/88/571123488.db2.gz JNPQYLNMAWKKKL-UHFFFAOYSA-N 0 0 416.590 6.104 50 0 HKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000008843199 571124472 /nfs/dbraw/zinc/12/44/72/571124472.db2.gz REEZMRPRULJINM-SDNWHVSQSA-N 0 0 421.294 5.353 50 0 HKAARN O=C(OCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1Cl ZINC000008843203 571124483 /nfs/dbraw/zinc/12/44/83/571124483.db2.gz DNWMMJVDVBAWDK-UHFFFAOYSA-N 0 0 416.087 6.917 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008843842 571124590 /nfs/dbraw/zinc/12/45/90/571124590.db2.gz UGPUPNDWNNZEJQ-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008843843 571124693 /nfs/dbraw/zinc/12/46/93/571124693.db2.gz UGPUPNDWNNZEJQ-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008843938 571124700 /nfs/dbraw/zinc/12/47/00/571124700.db2.gz NSQFRKCGWDGSTJ-QHCPKHFHSA-N 0 0 424.504 5.610 50 0 HKAARN 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/nfs/dbraw/zinc/81/30/15/557813015.db2.gz MAKZSIXPJFNFLN-UHFFFAOYSA-N 0 0 423.759 6.968 50 0 HKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4cccc(F)c4)nn3)s2)cc1 ZINC000008875753 571130860 /nfs/dbraw/zinc/13/08/60/571130860.db2.gz XDAVAYMMAKSARL-UHFFFAOYSA-N 0 0 423.538 6.016 50 0 HKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccc(F)cc4)nn3)s2)cc1 ZINC000008875754 560640286 /nfs/dbraw/zinc/64/02/86/560640286.db2.gz UZZSWPNZYQBJPL-UHFFFAOYSA-N 0 0 423.538 6.016 50 0 HKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4C)nn3)s2)cc1 ZINC000008875805 560640257 /nfs/dbraw/zinc/64/02/57/560640257.db2.gz GPRFGQQRPSUNMJ-UHFFFAOYSA-N 0 0 419.575 6.185 50 0 HKAARN COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccc(C)cc4)nn3)s2)cc1 ZINC000008875806 571130927 /nfs/dbraw/zinc/13/09/27/571130927.db2.gz UVDWOCVZRSHIMN-UHFFFAOYSA-N 0 0 419.575 6.185 50 0 HKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3)nn2)s1 ZINC000008875838 571130758 /nfs/dbraw/zinc/13/07/58/571130758.db2.gz DIPRESGIIOINHR-UHFFFAOYSA-N 0 0 405.548 5.876 50 0 HKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3cccc(C)c3)nn2)s1 ZINC000008875839 571130883 /nfs/dbraw/zinc/13/08/83/571130883.db2.gz FUHSUELJOFTEJT-UHFFFAOYSA-N 0 0 419.575 6.185 50 0 HKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccc(F)cc3)nn2)s1 ZINC000008875840 571130920 /nfs/dbraw/zinc/13/09/20/571130920.db2.gz QFFXIIZBBJMWHM-UHFFFAOYSA-N 0 0 423.538 6.016 50 0 HKAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccc(C)cc3)nn2)s1 ZINC000008875893 571130941 /nfs/dbraw/zinc/13/09/41/571130941.db2.gz XTFNVXBVNCRMDU-UHFFFAOYSA-N 0 0 419.575 6.185 50 0 HKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCc2ccc(Cl)cc2)nn1 ZINC000008876027 560640353 /nfs/dbraw/zinc/64/03/53/560640353.db2.gz LOCSOWFBIUQDRR-UHFFFAOYSA-N 0 0 410.955 5.916 50 0 HKAARN CSc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3cccs3)c2)cc1 ZINC000008876884 571130866 /nfs/dbraw/zinc/13/08/66/571130866.db2.gz SAOLSNONRIZKOL-UHFFFAOYSA-N 0 0 422.527 6.079 50 0 biogenic HKAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1nccs1)occ3-c1ccccc1 ZINC000008877226 571130906 /nfs/dbraw/zinc/13/09/06/571130906.db2.gz KGKWOKJXXIUHTL-UHFFFAOYSA-N 0 0 416.458 5.152 50 0 biogenic HKAARN CCOC(=O)[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000008879017 571130938 /nfs/dbraw/zinc/13/09/38/571130938.db2.gz XHIAYGCIYKDHKV-GOSISDBHSA-N 0 0 422.531 5.048 50 0 HKAARN CCOC(=O)[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000008879022 571130749 /nfs/dbraw/zinc/13/07/49/571130749.db2.gz XHIAYGCIYKDHKV-SFHVURJKSA-N 0 0 422.531 5.048 50 0 HKAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c21 ZINC000008879699 571131172 /nfs/dbraw/zinc/13/11/72/571131172.db2.gz LEWGDBVYFUBMRS-UHFFFAOYSA-N 0 0 400.434 5.127 50 0 biogenic HKAARN CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2c(cccc2C)s1 ZINC000008882292 571140525 /nfs/dbraw/zinc/14/05/25/571140525.db2.gz HJDOPHKDAGQPMG-UHFFFAOYSA-N 0 0 421.547 5.585 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000008882635 571140509 /nfs/dbraw/zinc/14/05/09/571140509.db2.gz KWRKKCGFARUESB-UHFFFAOYSA-N 0 0 423.969 5.723 50 0 HKAARN Cc1c2ccccc2[nH]c(=O)c1Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000008882848 571140477 /nfs/dbraw/zinc/14/04/77/571140477.db2.gz AGDUWJLJURSOSC-UHFFFAOYSA-N 0 0 413.506 5.062 50 0 HKAARN Cc1csc(N(C(=O)Cc2csc(-c3cccc(F)c3)n2)c2ccccc2)n1 ZINC000008883841 571140790 /nfs/dbraw/zinc/14/07/90/571140790.db2.gz NEYICEVMDBXZOZ-UHFFFAOYSA-N 0 0 409.511 5.622 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000008887075 571141357 /nfs/dbraw/zinc/14/13/57/571141357.db2.gz RBDPAUROVNOQKO-UZLBHIALSA-N 0 0 422.554 5.170 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000008887077 571141397 /nfs/dbraw/zinc/14/13/97/571141397.db2.gz RBDPAUROVNOQKO-JXFKEZNVSA-N 0 0 422.554 5.170 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000008887079 571141366 /nfs/dbraw/zinc/14/13/66/571141366.db2.gz RBDPAUROVNOQKO-OXQOHEQNSA-N 0 0 422.554 5.170 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000008887081 571141352 /nfs/dbraw/zinc/14/13/52/571141352.db2.gz RBDPAUROVNOQKO-OXJNMPFZSA-N 0 0 422.554 5.170 50 0 HKAARN O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccc(OC(F)(F)F)cc1 ZINC000008887882 569390851 /nfs/dbraw/zinc/39/08/51/569390851.db2.gz YURITNZJMMXHGQ-UHFFFAOYSA-N 0 0 416.786 5.605 50 0 HKAARN O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008888105 569390856 /nfs/dbraw/zinc/39/08/56/569390856.db2.gz YAFSCBKXPSUPIN-UHFFFAOYSA-N 0 0 406.696 6.478 50 0 HKAARN O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1c(F)cccc1F ZINC000008888108 569390825 /nfs/dbraw/zinc/39/08/25/569390825.db2.gz GSMZKIPNOAWEQV-UHFFFAOYSA-N 0 0 408.231 6.103 50 0 HKAARN CC(C)Oc1cc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC000008888112 569390855 /nfs/dbraw/zinc/39/08/55/569390855.db2.gz SNOVQKLKKXPPDT-UHFFFAOYSA-N 0 0 418.111 5.730 50 0 HKAARN O=C(c1ccc(Cl)cc1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000008888399 569390829 /nfs/dbraw/zinc/39/08/29/569390829.db2.gz ZROZDZVKFDBWOG-UHFFFAOYSA-N 0 0 423.299 6.124 50 0 HKAARN O=C(c1cccc(Cl)c1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000008888402 569390795 /nfs/dbraw/zinc/39/07/95/569390795.db2.gz SCBQYTDFKRMCFA-UHFFFAOYSA-N 0 0 423.299 6.124 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000008892228 571142484 /nfs/dbraw/zinc/14/24/84/571142484.db2.gz ATNFAANYFLGTKV-UHFFFAOYSA-N 0 0 424.658 7.133 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000008892269 571142573 /nfs/dbraw/zinc/14/25/73/571142573.db2.gz LBYFUYNXLLNVDF-UHFFFAOYSA-N 0 0 421.525 6.465 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000008892299 571142628 /nfs/dbraw/zinc/14/26/28/571142628.db2.gz PCCGOFHTZSIOKS-UHFFFAOYSA-N 0 0 423.708 6.620 50 0 HKAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1cccc(Cl)c1 ZINC000008892842 571142725 /nfs/dbraw/zinc/14/27/25/571142725.db2.gz PNDIGENQQZIZKR-JTQLQIEISA-N 0 0 423.719 5.516 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1cccc(Cl)c1 ZINC000008892848 571142686 /nfs/dbraw/zinc/14/26/86/571142686.db2.gz PNDIGENQQZIZKR-SNVBAGLBSA-N 0 0 423.719 5.516 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1 ZINC000008894162 571143090 /nfs/dbraw/zinc/14/30/90/571143090.db2.gz KTQDVXYLAPCJFD-UHFFFAOYSA-N 0 0 422.535 5.355 50 0 HKAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 ZINC000008895531 571143461 /nfs/dbraw/zinc/14/34/61/571143461.db2.gz CHALYDZSOXYPMH-INIZCTEOSA-N 0 0 420.559 6.040 50 0 HKAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 ZINC000008895539 571143344 /nfs/dbraw/zinc/14/33/44/571143344.db2.gz CHALYDZSOXYPMH-MRXNPFEDSA-N 0 0 420.559 6.040 50 0 HKAARN C[C@@H]1CCc2c(sc3[nH]c(SCc4ccc(Br)cc4)nc(=O)c23)C1 ZINC000008897474 571143688 /nfs/dbraw/zinc/14/36/88/571143688.db2.gz PWFQUIROLKJJKD-SNVBAGLBSA-N 0 0 421.385 5.164 50 0 HKAARN C[C@H]1CCc2c(sc3[nH]c(SCc4ccc(Br)cc4)nc(=O)c23)C1 ZINC000008897480 571143639 /nfs/dbraw/zinc/14/36/39/571143639.db2.gz PWFQUIROLKJJKD-JTQLQIEISA-N 0 0 421.385 5.164 50 0 HKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2cccs2)n1 ZINC000008897942 571143605 /nfs/dbraw/zinc/14/36/05/571143605.db2.gz DNZWHUXOYAMAMO-UHFFFAOYSA-N 0 0 421.551 5.109 50 0 HKAARN C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2ccccc2c1 ZINC000008900157 571143600 /nfs/dbraw/zinc/14/36/00/571143600.db2.gz XCVNBHNDONOPFR-IBGZPJMESA-N 0 0 424.500 5.348 50 0 HKAARN C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2ccccc2c1 ZINC000008900162 571143607 /nfs/dbraw/zinc/14/36/07/571143607.db2.gz XCVNBHNDONOPFR-LJQANCHMSA-N 0 0 424.500 5.348 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC(=O)c1cccs1 ZINC000008901144 571144695 /nfs/dbraw/zinc/14/46/95/571144695.db2.gz GSIINRNGSIPHGY-UHFFFAOYSA-N 0 0 420.515 5.119 50 0 HKAARN Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(-c2nc3ncccc3o2)c1O ZINC000008902329 557813464 /nfs/dbraw/zinc/81/34/64/557813464.db2.gz LDNHIVRWIWHTBD-UHFFFAOYSA-N 0 0 417.509 5.449 50 0 HKAARN COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008911547 571147358 /nfs/dbraw/zinc/14/73/58/571147358.db2.gz ZUNHMUGMIBBKTG-UHFFFAOYSA-N 0 0 422.937 5.911 50 0 HKAARN Cc1ccccc1CNC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000008911656 571147714 /nfs/dbraw/zinc/14/77/14/571147714.db2.gz IGLZOOMKEOIQDC-UHFFFAOYSA-N 0 0 405.498 5.037 50 0 HKAARN Cc1ccc(C)c(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)c1 ZINC000008911658 571147780 /nfs/dbraw/zinc/14/77/80/571147780.db2.gz BSWAZAHQUIHYAZ-UHFFFAOYSA-N 0 0 419.525 5.346 50 0 HKAARN Cc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1 ZINC000008911659 571147689 /nfs/dbraw/zinc/14/76/89/571147689.db2.gz QJPBYVUJDBODLY-UHFFFAOYSA-N 0 0 405.498 5.037 50 0 HKAARN CCOC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000008911802 571147682 /nfs/dbraw/zinc/14/76/82/571147682.db2.gz ROXZEAJWKKJKBL-UHFFFAOYSA-N 0 0 417.534 5.257 50 0 HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912085 571148374 /nfs/dbraw/zinc/14/83/74/571148374.db2.gz VEYQQFRFDDHZFK-JZXOWHBKSA-N 0 0 411.542 5.378 50 0 biogenic HKAARN O=C(NC1CCCCCCC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000008912126 132333895 /nfs/dbraw/zinc/33/38/95/132333895.db2.gz IAAGDWVEKXADNR-UHFFFAOYSA-N 0 0 404.963 5.775 50 0 HKAARN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCc3cccs3)cc2)c2ccccc2S1 ZINC000008912243 132334062 /nfs/dbraw/zinc/33/40/62/132334062.db2.gz ISTQHDAIBPYWPR-OAHLLOKOSA-N 0 0 423.563 5.211 50 0 HKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3ccccc3Cl)cc12 ZINC000008912273 571148404 /nfs/dbraw/zinc/14/84/04/571148404.db2.gz QARDCZKEPMVCLH-UHFFFAOYSA-N 0 0 416.952 6.198 50 0 HKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCCc3ccccc3C)cc12 ZINC000008912278 571148317 /nfs/dbraw/zinc/14/83/17/571148317.db2.gz YIEFJFJATDYXKF-UHFFFAOYSA-N 0 0 410.561 5.896 50 0 HKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3cccc(Cl)c3)cc12 ZINC000008912279 571148650 /nfs/dbraw/zinc/14/86/50/571148650.db2.gz LUNTTXPTAYAEKC-UHFFFAOYSA-N 0 0 416.952 6.198 50 0 HKAARN COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000008913862 571150319 /nfs/dbraw/zinc/15/03/19/571150319.db2.gz XOMAIQZCNYNQNU-UHFFFAOYSA-N 0 0 400.478 5.654 50 0 HKAARN Oc1cc(OCc2ccccc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008913909 571150261 /nfs/dbraw/zinc/15/02/61/571150261.db2.gz SQSCKSLXGFZBPQ-UHFFFAOYSA-N 0 0 411.288 6.335 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000008913942 557814013 /nfs/dbraw/zinc/81/40/13/557814013.db2.gz NETITVCYIPXTQU-UHFFFAOYSA-N 0 0 420.365 5.986 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(CSCc3ccc(Cl)cc3)s2)c1 ZINC000008913944 557813950 /nfs/dbraw/zinc/81/39/50/557813950.db2.gz XVKZVDMKLCAAFG-UHFFFAOYSA-N 0 0 420.947 5.278 50 0 HKAARN COc1ccc(-n2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1 ZINC000008913995 571150250 /nfs/dbraw/zinc/15/02/50/571150250.db2.gz MHGMJEHPXPKBOI-NTUHNPAUSA-N 0 0 423.299 5.872 50 0 HKAARN CCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000008914058 571150337 /nfs/dbraw/zinc/15/03/37/571150337.db2.gz LEOZOTSLMVWZQX-UHFFFAOYSA-N 0 0 409.298 5.555 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1cccc2ccccc21 ZINC000008914100 571150231 /nfs/dbraw/zinc/15/02/31/571150231.db2.gz AXSUAUIEXWDLSB-UHFFFAOYSA-N 0 0 414.317 5.841 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(Cc3ccc(Cl)cc3Cl)s2)c1 ZINC000008914133 557814020 /nfs/dbraw/zinc/81/40/20/557814020.db2.gz HJBBUPUTVQADOS-UHFFFAOYSA-N 0 0 409.298 5.088 50 0 HKAARN COc1ccccc1-c1c(-c2ccc(OCC=C(C)C)cc2O)n[nH]c1C(F)(F)F ZINC000008914261 571150338 /nfs/dbraw/zinc/15/03/38/571150338.db2.gz QQKAKXMVDJQVPG-UHFFFAOYSA-N 0 0 418.415 5.822 50 0 HKAARN COc1cccc(-n2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)c1 ZINC000008914293 557813905 /nfs/dbraw/zinc/81/39/05/557813905.db2.gz DQIXOXDZZVHYRG-ZRDIBKRKSA-N 0 0 423.299 5.872 50 0 HKAARN CCOC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C ZINC000008914454 557813944 /nfs/dbraw/zinc/81/39/44/557813944.db2.gz WMFMXXWWUKSPKH-UHFFFAOYSA-N 0 0 415.323 5.402 50 0 HKAARN COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(OC)c3)cc2O)cc1 ZINC000008914464 571150220 /nfs/dbraw/zinc/15/02/20/571150220.db2.gz LZGVSNHWSPTXJY-UHFFFAOYSA-N 0 0 418.449 5.171 50 0 HKAARN Clc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000008914702 571150695 /nfs/dbraw/zinc/15/06/95/571150695.db2.gz SXVQPGBAQBRVGX-UHFFFAOYSA-N 0 0 422.142 7.365 50 0 HKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000008914823 571150625 /nfs/dbraw/zinc/15/06/25/571150625.db2.gz OFVZEXQRSPTKJQ-CYBMUJFWSA-N 0 0 400.479 5.414 50 0 HKAARN CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000008914932 571150652 /nfs/dbraw/zinc/15/06/52/571150652.db2.gz RLFNWZUFEXNNIF-UHFFFAOYSA-N 0 0 402.907 5.367 50 0 HKAARN Cc1ccc2oc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)cc(=O)c2c1 ZINC000008915171 571150605 /nfs/dbraw/zinc/15/06/05/571150605.db2.gz FRUCZGWUZHTNFA-UHFFFAOYSA-N 0 0 423.424 5.331 50 0 HKAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1 ZINC000008915173 571150628 /nfs/dbraw/zinc/15/06/28/571150628.db2.gz ZQPXESVIJHZDAH-UHFFFAOYSA-N 0 0 414.442 5.362 50 0 HKAARN Cc1ccc2c(=O)cc(C(=O)Nc3oc4ccccc4c3C(=O)c3ccccc3)oc2c1 ZINC000008915255 571150569 /nfs/dbraw/zinc/15/05/69/571150569.db2.gz SZWXSHGMMQTUTM-UHFFFAOYSA-N 0 0 423.424 5.331 50 0 HKAARN CCO[P@](=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 ZINC000008915417 571150630 /nfs/dbraw/zinc/15/06/30/571150630.db2.gz HWJBLUXNTRRFFX-GDLZYMKVSA-N 0 0 418.430 5.346 50 0 HKAARN CCO[P@@](=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 ZINC000008915420 571150678 /nfs/dbraw/zinc/15/06/78/571150678.db2.gz HWJBLUXNTRRFFX-LJAQVGFWSA-N 0 0 418.430 5.346 50 0 HKAARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008915471 571150503 /nfs/dbraw/zinc/15/05/03/571150503.db2.gz BZNWEPAHFWANMO-IBGZPJMESA-N 0 0 422.352 5.197 50 0 HKAARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008915473 571150941 /nfs/dbraw/zinc/15/09/41/571150941.db2.gz BZNWEPAHFWANMO-LJQANCHMSA-N 0 0 422.352 5.197 50 0 HKAARN O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccccc2)ncc1Cl ZINC000008915619 571150899 /nfs/dbraw/zinc/15/08/99/571150899.db2.gz JQHYCKWCAXRQEK-UHFFFAOYSA-N 0 0 421.856 5.276 50 0 HKAARN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1C ZINC000008915783 571150827 /nfs/dbraw/zinc/15/08/27/571150827.db2.gz JLSWXTLKZFCYIW-IBGZPJMESA-N 0 0 422.352 5.197 50 0 HKAARN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1C ZINC000008915786 571150920 /nfs/dbraw/zinc/15/09/20/571150920.db2.gz JLSWXTLKZFCYIW-LJQANCHMSA-N 0 0 422.352 5.197 50 0 HKAARN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1C ZINC000008915822 571150783 /nfs/dbraw/zinc/15/07/83/571150783.db2.gz RENLEXKAQNALEG-FQEVSTJZSA-N 0 0 422.352 5.197 50 0 HKAARN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1C ZINC000008915825 571150831 /nfs/dbraw/zinc/15/08/31/571150831.db2.gz RENLEXKAQNALEG-HXUWFJFHSA-N 0 0 422.352 5.197 50 0 HKAARN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1 ZINC000008915828 571150840 /nfs/dbraw/zinc/15/08/40/571150840.db2.gz AIQVVFKDZUPEIS-FQEVSTJZSA-N 0 0 422.352 5.142 50 0 HKAARN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 ZINC000008915832 571150863 /nfs/dbraw/zinc/15/08/63/571150863.db2.gz AIQVVFKDZUPEIS-HXUWFJFHSA-N 0 0 422.352 5.142 50 0 HKAARN CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 ZINC000008915931 571151420 /nfs/dbraw/zinc/15/14/20/571151420.db2.gz HWVBDDQSSQPZRL-UHFFFAOYSA-N 0 0 401.865 5.704 50 0 HKAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000008915945 571151429 /nfs/dbraw/zinc/15/14/29/571151429.db2.gz JCONUUYEULGKTG-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN O=C(c1ccccc1Br)N(Cc1ccco1)Cc1ccc(CF)cc1 ZINC000008916103 571151711 /nfs/dbraw/zinc/15/17/11/571151711.db2.gz ATVITCHWSPZEDZ-UHFFFAOYSA-N 0 0 402.263 5.354 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008916167 571151697 /nfs/dbraw/zinc/15/16/97/571151697.db2.gz FGHMYCLATQVYIB-UHFFFAOYSA-N 0 0 417.893 5.212 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008916183 571151754 /nfs/dbraw/zinc/15/17/54/571151754.db2.gz ROXVRIAGOHYZJS-UHFFFAOYSA-N 0 0 417.893 5.212 50 0 HKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1 ZINC000008916213 571151695 /nfs/dbraw/zinc/15/16/95/571151695.db2.gz NVBHOQMHKOJANE-UHFFFAOYSA-N 0 0 420.328 5.020 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008916247 571152015 /nfs/dbraw/zinc/15/20/15/571152015.db2.gz ZCBRFGUDUADILI-UHFFFAOYSA-N 0 0 417.893 5.212 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008916252 571152048 /nfs/dbraw/zinc/15/20/48/571152048.db2.gz LYHZUSVWMBERLX-UHFFFAOYSA-N 0 0 417.893 5.212 50 0 HKAARN O=C(/C=C/c1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000008916620 571152287 /nfs/dbraw/zinc/15/22/87/571152287.db2.gz QOSHWYMRGXTFOL-GSXXRBPTSA-N 0 0 408.300 5.354 50 0 HKAARN O=C(/C=C/c1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000008916621 571152324 /nfs/dbraw/zinc/15/23/24/571152324.db2.gz QOSHWYMRGXTFOL-CEQQRPIWSA-N 0 0 408.300 5.354 50 0 HKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000008916728 536632907 /nfs/dbraw/zinc/63/29/07/536632907.db2.gz TYZXFHTXVLDCKA-UHFFFAOYSA-N 0 0 423.738 5.354 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 ZINC000008916767 571152290 /nfs/dbraw/zinc/15/22/90/571152290.db2.gz MKCCCDPJWVDPGM-KDYSTLNUSA-N 0 0 404.513 6.741 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 ZINC000008916768 571152289 /nfs/dbraw/zinc/15/22/89/571152289.db2.gz MKCCCDPJWVDPGM-JIPXPUAJSA-N 0 0 404.513 6.741 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 ZINC000008916769 571152330 /nfs/dbraw/zinc/15/23/30/571152330.db2.gz MKCCCDPJWVDPGM-IDISGSTGSA-N 0 0 404.513 6.741 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 ZINC000008916770 571152288 /nfs/dbraw/zinc/15/22/88/571152288.db2.gz MKCCCDPJWVDPGM-ZBLYBZFDSA-N 0 0 404.513 6.741 50 0 HKAARN CCc1ccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000008916894 571152683 /nfs/dbraw/zinc/15/26/83/571152683.db2.gz GBWKQUGWBOFZJO-ASSGYOTOSA-N 0 0 415.558 6.386 50 0 HKAARN CCc1ccc(/C=C2/S[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000008916897 571152799 /nfs/dbraw/zinc/15/27/99/571152799.db2.gz GBWKQUGWBOFZJO-OGRZUZBBSA-N 0 0 415.558 6.386 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000008917069 571153031 /nfs/dbraw/zinc/15/30/31/571153031.db2.gz ALGYCLKBIZKRQA-XMMPIXPASA-N 0 0 409.485 5.198 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000008917070 571153018 /nfs/dbraw/zinc/15/30/18/571153018.db2.gz ALGYCLKBIZKRQA-DEOSSOPVSA-N 0 0 409.485 5.198 50 0 HKAARN COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)S[C@@H]2c2ccc(C)cc2)cc1 ZINC000008917126 571153251 /nfs/dbraw/zinc/15/32/51/571153251.db2.gz XWSKJLMMZQOCGR-WLGHQHAYSA-N 0 0 421.949 6.477 50 0 HKAARN COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)S[C@H]2c2ccc(C)cc2)cc1 ZINC000008917127 571153239 /nfs/dbraw/zinc/15/32/39/571153239.db2.gz XWSKJLMMZQOCGR-NLZIUFDSSA-N 0 0 421.949 6.477 50 0 HKAARN CCc1ccc(/C=C2/S[C@@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008917132 571153273 /nfs/dbraw/zinc/15/32/73/571153273.db2.gz UUNLNMPXNFSKHX-ZMIGGIFCSA-N 0 0 419.977 7.031 50 0 HKAARN CCc1ccc(/C=C2/S[C@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008917133 571153221 /nfs/dbraw/zinc/15/32/21/571153221.db2.gz UUNLNMPXNFSKHX-OWXSRONMSA-N 0 0 419.977 7.031 50 0 HKAARN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@@H]2c2ccc(C)cc2)cc1 ZINC000008917144 571153225 /nfs/dbraw/zinc/15/32/25/571153225.db2.gz POOBMHPTQIRAMJ-WLGHQHAYSA-N 0 0 421.949 6.477 50 0 HKAARN COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@H]2c2ccc(C)cc2)cc1 ZINC000008917145 571153241 /nfs/dbraw/zinc/15/32/41/571153241.db2.gz POOBMHPTQIRAMJ-NLZIUFDSSA-N 0 0 421.949 6.477 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1 ZINC000008917308 571153492 /nfs/dbraw/zinc/15/34/92/571153492.db2.gz KDYLSSRGIUJNJS-UHFFFAOYSA-N 0 0 417.896 5.762 50 0 HKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 ZINC000008917346 571153471 /nfs/dbraw/zinc/15/34/71/571153471.db2.gz NDPBIMBDMINTTR-UHFFFAOYSA-N 0 0 419.864 5.302 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)cc1 ZINC000008917406 571153498 /nfs/dbraw/zinc/15/34/98/571153498.db2.gz WQRRJKWOPIAEDN-UHFFFAOYSA-N 0 0 424.250 5.580 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000008917430 571153507 /nfs/dbraw/zinc/15/35/07/571153507.db2.gz NKVXRYQJRUBQAX-UHFFFAOYSA-N 0 0 421.269 6.056 50 0 HKAARN CCc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008917604 571153473 /nfs/dbraw/zinc/15/34/73/571153473.db2.gz GQQRJJRDFQMQHF-UHFFFAOYSA-N 0 0 401.894 5.376 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2cccc(F)c2)cc(C)c1Cl ZINC000008917680 571153482 /nfs/dbraw/zinc/15/34/82/571153482.db2.gz PYMYRLZRQXCWCE-UHFFFAOYSA-N 0 0 401.865 5.297 50 0 HKAARN CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc43)c(Cl)cc12 ZINC000008918604 571154576 /nfs/dbraw/zinc/15/45/76/571154576.db2.gz KIKGNYJEFRFFDX-UHFFFAOYSA-N 0 0 423.896 5.461 50 0 biogenic HKAARN CCOc1ccccc1-c1nc(C(=O)NCc2cccnc2)cc2c3ccccc3[nH]c21 ZINC000008918610 571154711 /nfs/dbraw/zinc/15/47/11/571154711.db2.gz JYTKROSKPQCWTB-UHFFFAOYSA-N 0 0 422.488 5.107 50 0 biogenic HKAARN Cc1cc(Br)cc2c(C(=O)NC3CCCCC3)cc(-c3ccccc3)nc12 ZINC000008918655 557814177 /nfs/dbraw/zinc/81/41/77/557814177.db2.gz ZAGBRIPUJAEQBG-UHFFFAOYSA-N 0 0 423.354 6.035 50 0 HKAARN Cc1cc(Br)cc2c(C(=O)Nc3nccs3)cc(-c3ccccc3)nc12 ZINC000008918656 557814221 /nfs/dbraw/zinc/81/42/21/557814221.db2.gz CHXLIRGWHZUTNE-UHFFFAOYSA-N 0 0 424.323 5.682 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000008919368 557814253 /nfs/dbraw/zinc/81/42/53/557814253.db2.gz MPJNMFKGKAQQLA-UHFFFAOYSA-N 0 0 424.978 6.656 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000008919424 557814235 /nfs/dbraw/zinc/81/42/35/557814235.db2.gz UHWYOZOZSQBJFO-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1Cl ZINC000008920551 557814240 /nfs/dbraw/zinc/81/42/40/557814240.db2.gz CMCKHDUXYQYTGL-UHFFFAOYSA-N 0 0 421.884 5.928 50 0 HKAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000008920599 571155244 /nfs/dbraw/zinc/15/52/44/571155244.db2.gz XWJOGUZGCRNPPW-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 ZINC000008921261 557814405 /nfs/dbraw/zinc/81/44/05/557814405.db2.gz YXAORNJSCIKMPG-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cccc(F)c1 ZINC000008922411 557814383 /nfs/dbraw/zinc/81/43/83/557814383.db2.gz TXHMHHWRIAJOFS-UHFFFAOYSA-N 0 0 412.218 5.044 50 0 HKAARN Cc1[nH]c2ccccc2c1SCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000008923843 571159442 /nfs/dbraw/zinc/15/94/42/571159442.db2.gz MDPOPTVMDQMLGA-UHFFFAOYSA-N 0 0 412.986 5.850 50 0 HKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)c1c(F)cccc1Cl ZINC000008923894 571159396 /nfs/dbraw/zinc/15/93/96/571159396.db2.gz DMOMKTUAMJRTAO-UHFFFAOYSA-N 0 0 424.928 6.150 50 0 HKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1ccccc1Cl ZINC000008923972 571160070 /nfs/dbraw/zinc/16/00/70/571160070.db2.gz LZPQKSFAHRVBHT-UHFFFAOYSA-N 0 0 424.928 6.150 50 0 HKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008924059 571160048 /nfs/dbraw/zinc/16/00/48/571160048.db2.gz AZPQLJHJANFVMB-UHFFFAOYSA-N 0 0 424.928 6.150 50 0 HKAARN Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1I ZINC000008924082 571159974 /nfs/dbraw/zinc/15/99/74/571159974.db2.gz SSUPRMMDYYTFOY-UHFFFAOYSA-N 0 0 412.079 5.220 50 0 HKAARN Cc1nnc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc32)o1 ZINC000008924110 571159998 /nfs/dbraw/zinc/15/99/98/571159998.db2.gz ZXLGPWZUONXAHK-UHFFFAOYSA-N 0 0 413.300 5.043 50 0 HKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000008924345 571159947 /nfs/dbraw/zinc/15/99/47/571159947.db2.gz SNKQKNRBTYZKIG-UHFFFAOYSA-N 0 0 412.986 6.277 50 0 HKAARN Cc1cccc(C)c1NC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000008924545 571159951 /nfs/dbraw/zinc/15/99/51/571159951.db2.gz ZGRZDJWCCIMJGB-UHFFFAOYSA-N 0 0 424.500 5.623 50 0 HKAARN CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3ccc4ccccc4c3)nc(=O)c2c1C ZINC000008924550 571159988 /nfs/dbraw/zinc/15/99/88/571159988.db2.gz YGHCHWROWIVQCO-CYBMUJFWSA-N 0 0 424.547 5.476 50 0 HKAARN CCOC(=O)c1sc2[nH]c([C@H](C)Sc3ccc4ccccc4c3)nc(=O)c2c1C ZINC000008924553 571160024 /nfs/dbraw/zinc/16/00/24/571160024.db2.gz YGHCHWROWIVQCO-ZDUSSCGKSA-N 0 0 424.547 5.476 50 0 HKAARN O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccccc1-c1ccccc1 ZINC000008924579 571160065 /nfs/dbraw/zinc/16/00/65/571160065.db2.gz HNIOBGSMBHRONN-JOCHJYFZSA-N 0 0 412.518 5.459 50 0 HKAARN O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccccc1-c1ccccc1 ZINC000008924582 571160074 /nfs/dbraw/zinc/16/00/74/571160074.db2.gz HNIOBGSMBHRONN-QFIPXVFZSA-N 0 0 412.518 5.459 50 0 HKAARN Cc1ccc(CSCCNC(=O)c2ccc(C3SCCCS3)cc2)cc1 ZINC000008924893 571160071 /nfs/dbraw/zinc/16/00/71/571160071.db2.gz VNXWHICACRELGX-UHFFFAOYSA-N 0 0 403.638 5.527 50 0 HKAARN Clc1ccc(-c2csc(-n3nccc3-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000008925690 569390873 /nfs/dbraw/zinc/39/08/73/569390873.db2.gz KKVCRXLIVKSRNB-UHFFFAOYSA-N 0 0 406.725 6.623 50 0 HKAARN O=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000008925765 569390903 /nfs/dbraw/zinc/39/09/03/569390903.db2.gz CMELRVPCKYUMMW-UHFFFAOYSA-N 0 0 424.234 5.126 50 0 HKAARN O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000008925769 569390946 /nfs/dbraw/zinc/39/09/46/569390946.db2.gz AUGRROKYDPKMRV-UHFFFAOYSA-N 0 0 419.670 6.152 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1 ZINC000008925775 569390876 /nfs/dbraw/zinc/39/08/76/569390876.db2.gz SHLCSROQOXPHBC-UHFFFAOYSA-N 0 0 415.358 6.705 50 0 HKAARN COc1ccc(C(=O)OC[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000008925825 569390909 /nfs/dbraw/zinc/39/09/09/569390909.db2.gz MNRIQUJHHPGKFH-NRFANRHFSA-N 0 0 424.884 5.068 50 0 HKAARN COc1ccc(C(=O)OC[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000008925826 569390881 /nfs/dbraw/zinc/39/08/81/569390881.db2.gz MNRIQUJHHPGKFH-OAQYLSRUSA-N 0 0 424.884 5.068 50 0 HKAARN O=c1cc(-c2ccccc2)nc(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)[nH]1 ZINC000008925891 571160001 /nfs/dbraw/zinc/16/00/01/571160001.db2.gz QHYVGGACGNVRFW-UHFFFAOYSA-N 0 0 423.497 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/nfs/dbraw/zinc/16/27/55/571162755.db2.gz OPNLVDNOWYMAMN-DEOSSOPVSA-N 0 0 402.538 5.327 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932378 571162768 /nfs/dbraw/zinc/16/27/68/571162768.db2.gz SCAMZVJJVVYQBS-IBGZPJMESA-N 0 0 404.554 5.271 50 0 HKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932380 571162728 /nfs/dbraw/zinc/16/27/28/571162728.db2.gz SCAMZVJJVVYQBS-LJQANCHMSA-N 0 0 404.554 5.271 50 0 HKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1 ZINC000008932383 571162747 /nfs/dbraw/zinc/16/27/47/571162747.db2.gz KKLSJHNHDFWNLW-UHFFFAOYSA-N 0 0 422.594 5.214 50 0 HKAARN CSc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932392 571162759 /nfs/dbraw/zinc/16/27/59/571162759.db2.gz PBSXQZAHEAAZJA-UHFFFAOYSA-N 0 0 422.594 5.214 50 0 HKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008932397 571162801 /nfs/dbraw/zinc/16/28/01/571162801.db2.gz ZSRLCPSEKLFFCS-UHFFFAOYSA-N 0 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Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932557 571163078 /nfs/dbraw/zinc/16/30/78/571163078.db2.gz RJGFCIVIGOQGQZ-UHFFFAOYSA-N 0 0 410.945 5.411 50 0 HKAARN Cc1c(C[NH2+]Cc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932560 571163109 /nfs/dbraw/zinc/16/31/09/571163109.db2.gz HAENPNRRTSOCNN-UHFFFAOYSA-N 0 0 410.945 5.411 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932561 571163114 /nfs/dbraw/zinc/16/31/14/571163114.db2.gz QXFXQVLXZBTDOR-UHFFFAOYSA-N 0 0 410.945 5.411 50 0 HKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932562 571163080 /nfs/dbraw/zinc/16/30/80/571163080.db2.gz PNGGVEBCYCOKLR-UHFFFAOYSA-N 0 0 424.972 5.454 50 0 HKAARN Cc1c(C[NH2+]CCCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932570 571163087 /nfs/dbraw/zinc/16/30/87/571163087.db2.gz JTYQMVQYCWFVEL-UHFFFAOYSA-N 0 0 404.554 5.191 50 0 HKAARN Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932581 571163159 /nfs/dbraw/zinc/16/31/59/571163159.db2.gz RITIVUBXODPJGZ-RUZDIDTESA-N 0 0 416.565 5.635 50 0 HKAARN Cc1c(C[NH2+][C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932582 571163066 /nfs/dbraw/zinc/16/30/66/571163066.db2.gz RITIVUBXODPJGZ-VWLOTQADSA-N 0 0 416.565 5.635 50 0 HKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932585 571163138 /nfs/dbraw/zinc/16/31/38/571163138.db2.gz UWPWPOBJPHERRA-LJQANCHMSA-N 0 0 404.554 5.362 50 0 HKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932586 571163131 /nfs/dbraw/zinc/16/31/31/571163131.db2.gz UWPWPOBJPHERRA-IBGZPJMESA-N 0 0 404.554 5.362 50 0 HKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932621 571163076 /nfs/dbraw/zinc/16/30/76/571163076.db2.gz POLXHEOMIFPHGW-MRXNPFEDSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932623 571163130 /nfs/dbraw/zinc/16/31/30/571163130.db2.gz POLXHEOMIFPHGW-INIZCTEOSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+]CCC2=CCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932626 571163072 /nfs/dbraw/zinc/16/30/72/571163072.db2.gz ZMLNCLCIUNFLRU-UHFFFAOYSA-N 0 0 400.950 5.485 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932628 571163054 /nfs/dbraw/zinc/16/30/54/571163054.db2.gz WVHFZNDWCVLRHO-KRWDZBQOSA-N 0 0 424.972 5.616 50 0 HKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932629 571163098 /nfs/dbraw/zinc/16/30/98/571163098.db2.gz WVHFZNDWCVLRHO-QGZVFWFLSA-N 0 0 424.972 5.616 50 0 HKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932653 571163128 /nfs/dbraw/zinc/16/31/28/571163128.db2.gz JDSZNTLYBAATOZ-MRXNPFEDSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932655 571163119 /nfs/dbraw/zinc/16/31/19/571163119.db2.gz JDSZNTLYBAATOZ-INIZCTEOSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932658 571163069 /nfs/dbraw/zinc/16/30/69/571163069.db2.gz VJGVLHVDYLGNRK-KRWDZBQOSA-N 0 0 424.972 5.616 50 0 HKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932660 571163107 /nfs/dbraw/zinc/16/31/07/571163107.db2.gz VJGVLHVDYLGNRK-QGZVFWFLSA-N 0 0 424.972 5.616 50 0 HKAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932681 571163077 /nfs/dbraw/zinc/16/30/77/571163077.db2.gz YPQREABRYSRECM-UHFFFAOYSA-N 0 0 410.945 5.146 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1 ZINC000008932692 571163064 /nfs/dbraw/zinc/16/30/64/571163064.db2.gz SQHNXKMGPXQJRP-UHFFFAOYSA-N 0 0 408.567 5.172 50 0 HKAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000008932700 571163073 /nfs/dbraw/zinc/16/30/73/571163073.db2.gz NBDBGGRFOLDDNP-UHFFFAOYSA-N 0 0 410.945 5.146 50 0 HKAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008932713 571163135 /nfs/dbraw/zinc/16/31/35/571163135.db2.gz PAEYATJLIJXURJ-UHFFFAOYSA-N 0 0 410.945 5.146 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])cc1 ZINC000008932745 571163145 /nfs/dbraw/zinc/16/31/45/571163145.db2.gz BCFQNVCVIJYHKV-UHFFFAOYSA-N 0 0 412.530 5.002 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932754 571163083 /nfs/dbraw/zinc/16/30/83/571163083.db2.gz FQBYBSOFOWIKBC-UHFFFAOYSA-N 0 0 424.516 5.068 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932767 571163111 /nfs/dbraw/zinc/16/31/11/571163111.db2.gz XCTKDYMQZHOSCC-UHFFFAOYSA-N 0 0 412.530 5.002 50 0 HKAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932793 571163121 /nfs/dbraw/zinc/16/31/21/571163121.db2.gz SGXWGSZNUKXNLR-UHFFFAOYSA-N 0 0 424.972 5.720 50 0 HKAARN Cc1c(C[NH2+]C2CCCCCCC2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932797 571163085 /nfs/dbraw/zinc/16/30/85/571163085.db2.gz DFLBQUOLIUPJBN-UHFFFAOYSA-N 0 0 410.602 5.979 50 0 HKAARN Cc1c(C[NH2+]Cc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932800 571163061 /nfs/dbraw/zinc/16/30/61/571163061.db2.gz WNTZJASFRPSDDF-UHFFFAOYSA-N 0 0 404.554 5.375 50 0 HKAARN Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932802 571163125 /nfs/dbraw/zinc/16/31/25/571163125.db2.gz SVCAIDGEJWUJHV-UHFFFAOYSA-N 0 0 408.517 5.206 50 0 HKAARN Cc1c(C[NH2+]CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932803 571163063 /nfs/dbraw/zinc/16/30/63/571163063.db2.gz UNRAOVFKXQHZBL-UHFFFAOYSA-N 0 0 404.554 5.109 50 0 HKAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])c1 ZINC000008932805 571163347 /nfs/dbraw/zinc/16/33/47/571163347.db2.gz ONXRHTFOOQBNFW-UHFFFAOYSA-N 0 0 420.553 5.075 50 0 HKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932806 571163426 /nfs/dbraw/zinc/16/34/26/571163426.db2.gz 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COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 ZINC000009210011 571236823 /nfs/dbraw/zinc/23/68/23/571236823.db2.gz OEVDOVALBKSMAJ-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 ZINC000009210244 571236878 /nfs/dbraw/zinc/23/68/78/571236878.db2.gz AIIKZPPPTHXSFY-HXUWFJFHSA-N 0 0 420.827 5.039 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 ZINC000009210245 571236842 /nfs/dbraw/zinc/23/68/42/571236842.db2.gz AIIKZPPPTHXSFY-FQEVSTJZSA-N 0 0 420.827 5.039 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000009210986 571237067 /nfs/dbraw/zinc/23/70/67/571237067.db2.gz DQDBWJUFTHQGFG-FQEVSTJZSA-N 0 0 420.827 5.039 50 0 HKAARN COc1ccc(OC)c(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)c1 ZINC000009211413 571236963 /nfs/dbraw/zinc/23/69/63/571236963.db2.gz PZQRPCPXDJDJNJ-GFCCVEGCSA-N 0 0 401.553 5.117 50 0 HKAARN COc1ccc(OC)c(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)c1 ZINC000009211414 571236998 /nfs/dbraw/zinc/23/69/98/571236998.db2.gz PZQRPCPXDJDJNJ-LBPRGKRZSA-N 0 0 401.553 5.117 50 0 HKAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000009211693 571237187 /nfs/dbraw/zinc/23/71/87/571237187.db2.gz PDOPEBQVVZHBBY-UHFFFAOYSA-N 0 0 424.863 5.025 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000009211699 571237181 /nfs/dbraw/zinc/23/71/81/571237181.db2.gz VHYVJXDPAAFPLD-UHFFFAOYSA-N 0 0 424.863 5.025 50 0 HKAARN COCCN(Cc1c2ccccc2n(C)c1-c1cccs1)C(=O)NC1CCCC1 ZINC000009211752 571237236 /nfs/dbraw/zinc/23/72/36/571237236.db2.gz NUKUPHWTDZLITD-UHFFFAOYSA-N 0 0 411.571 5.007 50 0 HKAARN CCn1c2ccccc2c(CNC(=O)NCc2ccc(C)cc2)c1-c1cccs1 ZINC000009211785 571237158 /nfs/dbraw/zinc/23/71/58/571237158.db2.gz GUMWWBZBFRQJLJ-UHFFFAOYSA-N 0 0 403.551 5.698 50 0 HKAARN CCn1c2ccccc2c(CNC(=O)NCCc2ccccc2)c1-c1cccs1 ZINC000009211795 571237223 /nfs/dbraw/zinc/23/72/23/571237223.db2.gz NHQGHSMKKMXIEE-UHFFFAOYSA-N 0 0 403.551 5.432 50 0 HKAARN CCn1c2ccccc2c(CNC(=O)NCc2cccc(OC)c2)c1-c1cccs1 ZINC000009211803 571237207 /nfs/dbraw/zinc/23/72/07/571237207.db2.gz VRDRADOPPLIENX-UHFFFAOYSA-N 0 0 419.550 5.398 50 0 HKAARN CCn1c2ccccc2c(CNC(=O)NCc2ccc(F)cc2)c1-c1cccs1 ZINC000009211805 571237200 /nfs/dbraw/zinc/23/72/00/571237200.db2.gz GUIGCVULYMNUIP-UHFFFAOYSA-N 0 0 407.514 5.528 50 0 HKAARN CCCNC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211823 571237213 /nfs/dbraw/zinc/23/72/13/571237213.db2.gz BBHDRLHCOVLFLS-UHFFFAOYSA-N 0 0 403.551 5.627 50 0 HKAARN CC(C)NC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211829 571237205 /nfs/dbraw/zinc/23/72/05/571237205.db2.gz AXXUADWUKCTDIE-UHFFFAOYSA-N 0 0 403.551 5.626 50 0 HKAARN CC[C@@H](C)NC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211830 571237137 /nfs/dbraw/zinc/23/71/37/571237137.db2.gz AUOLSXVWOKZJFN-GOSISDBHSA-N 0 0 417.578 6.016 50 0 HKAARN CC[C@H](C)NC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211831 571237209 /nfs/dbraw/zinc/23/72/09/571237209.db2.gz AUOLSXVWOKZJFN-SFHVURJKSA-N 0 0 417.578 6.016 50 0 HKAARN CC(C)CNC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211834 571237194 /nfs/dbraw/zinc/23/71/94/571237194.db2.gz BPSJGQAKIDNZBF-UHFFFAOYSA-N 0 0 417.578 5.873 50 0 HKAARN CC[C@@H](C)NC(=O)N(CCOC)Cc1c2ccccc2n(CC)c1-c1cccs1 ZINC000009211838 571237176 /nfs/dbraw/zinc/23/71/76/571237176.db2.gz KFPZWVWWCMESOA-QGZVFWFLSA-N 0 0 413.587 5.346 50 0 HKAARN CC[C@H](C)NC(=O)N(CCOC)Cc1c2ccccc2n(CC)c1-c1cccs1 ZINC000009211839 571237193 /nfs/dbraw/zinc/23/71/93/571237193.db2.gz KFPZWVWWCMESOA-KRWDZBQOSA-N 0 0 413.587 5.346 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3CCc4ccccc43)cc2)nc1COc1ccc(C)cc1 ZINC000009211883 571237170 /nfs/dbraw/zinc/23/71/70/571237170.db2.gz IDCKWBJVQVANHW-UHFFFAOYSA-N 0 0 424.500 5.740 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3cccs3)cc2)nc1CSc1ccccc1 ZINC000009211992 571237240 /nfs/dbraw/zinc/23/72/40/571237240.db2.gz HBLVZOPFNNLFMX-UHFFFAOYSA-N 0 0 420.559 5.934 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nncn4C(C)C)cc3)sc2c1 ZINC000009212821 571237229 /nfs/dbraw/zinc/23/72/29/571237229.db2.gz MIEIUQAZFSPNNS-UHFFFAOYSA-N 0 0 423.567 5.175 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009215633 571237238 /nfs/dbraw/zinc/23/72/38/571237238.db2.gz VFGVYLKKXRDHIR-WMZHIEFXSA-N 0 0 422.843 5.450 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000009215635 571237198 /nfs/dbraw/zinc/23/71/98/571237198.db2.gz VFGVYLKKXRDHIR-CVDCTZTESA-N 0 0 422.843 5.450 50 0 HKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)c(C)c1 ZINC000009215643 571237162 /nfs/dbraw/zinc/23/71/62/571237162.db2.gz DGKVSNWGXHAZRH-UHFFFAOYSA-N 0 0 402.519 5.362 50 0 HKAARN COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)c1 ZINC000009215893 571237148 /nfs/dbraw/zinc/23/71/48/571237148.db2.gz UEWBCTVVTILMEE-UHFFFAOYSA-N 0 0 419.864 5.683 50 0 HKAARN Cc1ccc(-n2ncc3c4nc(Cc5cccc6ccccc65)nn4cnc32)cc1Cl ZINC000009216148 571237381 /nfs/dbraw/zinc/23/73/81/571237381.db2.gz PFJDBWYXIBGWLO-UHFFFAOYSA-N 0 0 424.895 5.169 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000009216435 571237373 /nfs/dbraw/zinc/23/73/73/571237373.db2.gz OECBAGBDPRDRRH-UHFFFAOYSA-N 0 0 416.565 5.801 50 0 HKAARN COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)c1 ZINC000009216488 571237423 /nfs/dbraw/zinc/23/74/23/571237423.db2.gz UQEPDUMHGZZRJF-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)c(=O)[nH]c12 ZINC000009216661 571237414 /nfs/dbraw/zinc/23/74/14/571237414.db2.gz TYLYVVXVCAXKTO-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN O=C(CSc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009216882 571237530 /nfs/dbraw/zinc/23/75/30/571237530.db2.gz IDSCVORMZSHWQI-UHFFFAOYSA-N 0 0 408.592 5.283 50 0 HKAARN O=C(Nc1ccccc1SCc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009217703 571237683 /nfs/dbraw/zinc/23/76/83/571237683.db2.gz JHMPSLBVJWNCNX-UHFFFAOYSA-N 0 0 420.534 5.063 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1n[nH]c2ccccc21 ZINC000009217715 557018689 /nfs/dbraw/zinc/01/86/89/557018689.db2.gz ZAVXCZLKKAIKBX-UHFFFAOYSA-N 0 0 424.382 5.086 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCC(=O)C3)n2Cc2ccccc2)cc1 ZINC000009218479 571237979 /nfs/dbraw/zinc/23/79/79/571237979.db2.gz KEOINHVYAKNNLW-OAQYLSRUSA-N 0 0 405.567 5.505 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCC(=O)C3)n2Cc2ccccc2)cc1 ZINC000009218480 571237915 /nfs/dbraw/zinc/23/79/15/571237915.db2.gz KEOINHVYAKNNLW-NRFANRHFSA-N 0 0 405.567 5.505 50 0 HKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nnc(-c2cccs2)o1 ZINC000009218815 571237971 /nfs/dbraw/zinc/23/79/71/571237971.db2.gz IDEDPGVRGPJMBI-VIFPVBQESA-N 0 0 408.430 5.613 50 0 HKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nnc(-c2cccs2)o1 ZINC000009218816 571237874 /nfs/dbraw/zinc/23/78/74/571237874.db2.gz IDEDPGVRGPJMBI-SECBINFHSA-N 0 0 408.430 5.613 50 0 HKAARN Fc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C[C@H]2CCCO2)cc1 ZINC000009219024 571238151 /nfs/dbraw/zinc/23/81/51/571238151.db2.gz JPXWLESTZXWCFR-OAHLLOKOSA-N 0 0 421.900 5.348 50 0 HKAARN Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000009219923 571238056 /nfs/dbraw/zinc/23/80/56/571238056.db2.gz MAVITYCXQCWNLG-UHFFFAOYSA-N 0 0 417.515 5.402 50 0 HKAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000009220632 132337305 /nfs/dbraw/zinc/33/73/05/132337305.db2.gz ZHZQYCNRYLJUTC-UHFFFAOYSA-N 0 0 417.962 5.301 50 0 HKAARN CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1C ZINC000009220812 571238282 /nfs/dbraw/zinc/23/82/82/571238282.db2.gz CQFJTAAZBIJNAL-UHFFFAOYSA-N 0 0 423.567 5.419 50 0 HKAARN FC(F)(F)CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000009222103 571238461 /nfs/dbraw/zinc/23/84/61/571238461.db2.gz XTCBLCBUTMZXHH-UHFFFAOYSA-N 0 0 422.863 6.114 50 0 HKAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1sccc1-c1ccccc1 ZINC000009222167 571238491 /nfs/dbraw/zinc/23/84/91/571238491.db2.gz JLXDRXYGEPVQEO-UHFFFAOYSA-N 0 0 416.296 5.201 50 0 HKAARN Cn1c(Cc2cccs2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009222782 571238472 /nfs/dbraw/zinc/23/84/72/571238472.db2.gz LATVNNUDZYYFGV-UHFFFAOYSA-N 0 0 420.563 5.012 50 0 HKAARN CCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)C1=CCCC1 ZINC000009223129 571238470 /nfs/dbraw/zinc/23/84/70/571238470.db2.gz MBHAROHSMRBYFM-UHFFFAOYSA-N 0 0 424.595 5.063 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c1 ZINC000009223726 571238663 /nfs/dbraw/zinc/23/86/63/571238663.db2.gz MGJOCPQUIJVNQN-UHFFFAOYSA-N 0 0 424.504 5.367 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000009223733 571238659 /nfs/dbraw/zinc/23/86/59/571238659.db2.gz MHCMARUGDQRYJN-UHFFFAOYSA-N 0 0 422.868 5.006 50 0 HKAARN Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccccc2Cl)o1 ZINC000009223926 571238829 /nfs/dbraw/zinc/23/88/29/571238829.db2.gz RNFHLLGGWUSESB-UHFFFAOYSA-N 0 0 424.913 5.285 50 0 HKAARN O=C(NCCc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000009224504 557829788 /nfs/dbraw/zinc/82/97/88/557829788.db2.gz PRSZSNYPBQCOTL-VWLOTQADSA-N 0 0 413.496 5.207 50 0 HKAARN O=C(NCCc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000009224505 557829707 /nfs/dbraw/zinc/82/97/07/557829707.db2.gz PRSZSNYPBQCOTL-RUZDIDTESA-N 0 0 413.496 5.207 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000009224510 557829773 /nfs/dbraw/zinc/82/97/73/557829773.db2.gz LFSFYGUXQJUVAL-DEOSSOPVSA-N 0 0 417.459 5.303 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000009224511 557829738 /nfs/dbraw/zinc/82/97/38/557829738.db2.gz LFSFYGUXQJUVAL-XMMPIXPASA-N 0 0 417.459 5.303 50 0 HKAARN Cc1ccc(CNC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009224524 557829746 /nfs/dbraw/zinc/82/97/46/557829746.db2.gz XIMOHSPMSSYXBZ-VWLOTQADSA-N 0 0 413.496 5.473 50 0 HKAARN Cc1ccc(CNC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009224525 557829761 /nfs/dbraw/zinc/82/97/61/557829761.db2.gz XIMOHSPMSSYXBZ-RUZDIDTESA-N 0 0 413.496 5.473 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000009224536 557829704 /nfs/dbraw/zinc/82/97/04/557829704.db2.gz BEXQCELPFFENCG-HSZRJFAPSA-N 0 0 423.944 5.430 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000009224537 557829712 /nfs/dbraw/zinc/82/97/12/557829712.db2.gz BEXQCELPFFENCG-QHCPKHFHSA-N 0 0 423.944 5.430 50 0 HKAARN O=C(NC1CCCC1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000009224550 557829724 /nfs/dbraw/zinc/82/97/24/557829724.db2.gz PIMGRVBOWIYIPW-JOCHJYFZSA-N 0 0 411.908 5.560 50 0 HKAARN O=C(NC1CCCC1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000009224551 557829784 /nfs/dbraw/zinc/82/97/84/557829784.db2.gz PIMGRVBOWIYIPW-QFIPXVFZSA-N 0 0 411.908 5.560 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000009224558 557829755 /nfs/dbraw/zinc/82/97/55/557829755.db2.gz HJMLLPGXYGHBDY-HSZRJFAPSA-N 0 0 407.945 5.729 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000009224559 557829718 /nfs/dbraw/zinc/82/97/18/557829718.db2.gz HJMLLPGXYGHBDY-QHCPKHFHSA-N 0 0 407.945 5.729 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCC1)[C@@H]3c1ccc(C)cc1 ZINC000009224570 557829769 /nfs/dbraw/zinc/82/97/69/557829769.db2.gz OPTCNEZKJGYTEL-XMMPIXPASA-N 0 0 403.526 5.085 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCC1)[C@H]3c1ccc(C)cc1 ZINC000009224571 557829700 /nfs/dbraw/zinc/82/97/00/557829700.db2.gz OPTCNEZKJGYTEL-DEOSSOPVSA-N 0 0 403.526 5.085 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCCC(C)C)[C@@H]3c1ccc(C)cc1 ZINC000009224580 557829697 /nfs/dbraw/zinc/82/96/97/557829697.db2.gz NVWGBSAKSQNTGA-XMMPIXPASA-N 0 0 405.542 5.188 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCCC(C)C)[C@H]3c1ccc(C)cc1 ZINC000009224581 557829758 /nfs/dbraw/zinc/82/97/58/557829758.db2.gz NVWGBSAKSQNTGA-DEOSSOPVSA-N 0 0 405.542 5.188 50 0 HKAARN COc1ccc2nc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009224896 557829961 /nfs/dbraw/zinc/82/99/61/557829961.db2.gz IBSIQHLSFDFTLE-UHFFFAOYSA-N 0 0 413.351 5.484 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)o2)c1 ZINC000009225094 557830159 /nfs/dbraw/zinc/83/01/59/557830159.db2.gz FRHXNISWKWDDLE-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009225104 557830143 /nfs/dbraw/zinc/83/01/43/557830143.db2.gz FHJHSCAJXWIZOK-UHFFFAOYSA-N 0 0 423.335 5.907 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1OC ZINC000009225967 557830132 /nfs/dbraw/zinc/83/01/32/557830132.db2.gz ICSATPBWYVNPQN-UHFFFAOYSA-N 0 0 424.456 5.918 50 0 HKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(NC(C)=O)c1 ZINC000009226287 571239053 /nfs/dbraw/zinc/23/90/53/571239053.db2.gz KCMVGIXQMNIZPD-UHFFFAOYSA-N 0 0 421.353 5.523 50 0 HKAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cccc3ccccc32)n[nH]1 ZINC000009226308 571239092 /nfs/dbraw/zinc/23/90/92/571239092.db2.gz LCRMQQPAPJHRNF-UHFFFAOYSA-N 0 0 424.913 5.018 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1Cl ZINC000009226428 557830335 /nfs/dbraw/zinc/83/03/35/557830335.db2.gz UYVPOWDLQLINDT-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000009226447 557830342 /nfs/dbraw/zinc/83/03/42/557830342.db2.gz OQTYHOYTEYLMPR-UHFFFAOYSA-N 0 0 414.461 5.265 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000009226468 557830396 /nfs/dbraw/zinc/83/03/96/557830396.db2.gz RRQDQJWAGQEPOG-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000009226472 557830293 /nfs/dbraw/zinc/83/02/93/557830293.db2.gz JUZKIBLRJKAULJ-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 ZINC000009226489 557830350 /nfs/dbraw/zinc/83/03/50/557830350.db2.gz LUOARIIXWLJPQF-UHFFFAOYSA-N 0 0 406.482 5.290 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)c(C(=O)Oc2ccccc2Cl)cc1C ZINC000009226519 571239015 /nfs/dbraw/zinc/23/90/15/571239015.db2.gz JVFZJYPKFOZBFK-UHFFFAOYSA-N 0 0 414.288 6.082 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc2c(c1)OCCO2 ZINC000009226535 557830367 /nfs/dbraw/zinc/83/03/67/557830367.db2.gz MFAWXHVYLPTPPC-UHFFFAOYSA-N 0 0 424.815 5.311 50 0 HKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000009226635 557830320 /nfs/dbraw/zinc/83/03/20/557830320.db2.gz SLAWRFKGURAUAW-UHFFFAOYSA-N 0 0 420.940 6.693 50 0 HKAARN Cc1ccccc1-c1nc2cc(NC(=O)CC34CC5CC(CC(C5)C3)C4)ccc2o1 ZINC000009226638 557830352 /nfs/dbraw/zinc/83/03/52/557830352.db2.gz PRPSXIMFNWXWMW-UHFFFAOYSA-N 0 0 400.522 6.348 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000009226669 557830360 /nfs/dbraw/zinc/83/03/60/557830360.db2.gz AWSUWDCLDQASFD-INIZCTEOSA-N 0 0 414.933 5.151 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000009226671 557830375 /nfs/dbraw/zinc/83/03/75/557830375.db2.gz AWSUWDCLDQASFD-MRXNPFEDSA-N 0 0 414.933 5.151 50 0 HKAARN COc1ccc(-c2noc(CN(C(=O)Nc3cccc4ccccc43)C(C)C)n2)cc1 ZINC000009227084 571238975 /nfs/dbraw/zinc/23/89/75/571238975.db2.gz RBBSDKBAMIMTRF-UHFFFAOYSA-N 0 0 416.481 5.341 50 0 HKAARN O=C(Nc1nnc(CSc2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000009227190 557830560 /nfs/dbraw/zinc/83/05/60/557830560.db2.gz RPTGBPDYNRYFQO-UHFFFAOYSA-N 0 0 417.968 5.951 50 0 HKAARN COc1ccccc1Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000009227191 557830620 /nfs/dbraw/zinc/83/06/20/557830620.db2.gz SBLUUOLRFMJXIF-UHFFFAOYSA-N 0 0 415.927 5.258 50 0 HKAARN CCOc1cc(-c2nn3c(nnc3-c3cccc(C)c3)s2)cc(OCC)c1OCC ZINC000009227239 557830582 /nfs/dbraw/zinc/83/05/82/557830582.db2.gz NDVZSLFKJPCHIS-UHFFFAOYSA-N 0 0 424.526 5.024 50 0 HKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000009227581 557830596 /nfs/dbraw/zinc/83/05/96/557830596.db2.gz PICUADFJKLORQZ-UHFFFAOYSA-N 0 0 410.473 5.611 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000009228151 571239445 /nfs/dbraw/zinc/23/94/45/571239445.db2.gz WLJJMBYHOJKOBK-UHFFFAOYSA-N 0 0 414.509 5.221 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000009228187 571239434 /nfs/dbraw/zinc/23/94/34/571239434.db2.gz VKSYDWQGOGCWCH-UHFFFAOYSA-N 0 0 418.928 5.784 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3Cl)cc12 ZINC000009229054 571239588 /nfs/dbraw/zinc/23/95/88/571239588.db2.gz XNJUKSUASZQMOB-UHFFFAOYSA-N 0 0 402.925 5.890 50 0 HKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc12 ZINC000009229055 571239668 /nfs/dbraw/zinc/23/96/68/571239668.db2.gz ZTJVWLZLOVWBOT-UHFFFAOYSA-N 0 0 416.952 5.932 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3ccccc3Cl)cc12 ZINC000009229074 571239581 /nfs/dbraw/zinc/23/95/81/571239581.db2.gz REHJDSMEEMVHRF-UHFFFAOYSA-N 0 0 420.915 6.029 50 0 HKAARN COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000009229077 571239595 /nfs/dbraw/zinc/23/95/95/571239595.db2.gz UXFFUAITMZGCPK-UHFFFAOYSA-N 0 0 416.496 5.384 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3cccc(C)c3)cc12 ZINC000009229079 571239587 /nfs/dbraw/zinc/23/95/87/571239587.db2.gz YELJVHUQNASZJH-UHFFFAOYSA-N 0 0 400.497 5.684 50 0 HKAARN COc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1 ZINC000009229080 571239592 /nfs/dbraw/zinc/23/95/92/571239592.db2.gz KJUJZYQBDWSTFH-UHFFFAOYSA-N 0 0 416.496 5.384 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3ccc(F)cc3)cc12 ZINC000009229081 571239646 /nfs/dbraw/zinc/23/96/46/571239646.db2.gz YDXNPWWAVHSKMW-UHFFFAOYSA-N 0 0 404.460 5.515 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3ccccc3F)cc12 ZINC000009229086 571239628 /nfs/dbraw/zinc/23/96/28/571239628.db2.gz ZCDQBJLSBRCENH-UHFFFAOYSA-N 0 0 404.460 5.515 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3ccccc3C)cc12 ZINC000009229091 571239611 /nfs/dbraw/zinc/23/96/11/571239611.db2.gz OLTYRCWCHRVMLO-UHFFFAOYSA-N 0 0 400.497 5.684 50 0 HKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1 ZINC000009229093 571239631 /nfs/dbraw/zinc/23/96/31/571239631.db2.gz OWSHPKJVKGLQAN-UHFFFAOYSA-N 0 0 414.524 5.938 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCc3ccccc3C)cc12 ZINC000009229100 571239602 /nfs/dbraw/zinc/23/96/02/571239602.db2.gz LQKPUSOVQGNEAV-UHFFFAOYSA-N 0 0 414.524 5.726 50 0 HKAARN O=C(c1ccc(N2CCc3ccccc32)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009229183 132337425 /nfs/dbraw/zinc/33/74/25/132337425.db2.gz VWBXQMRPBJWPNZ-UHFFFAOYSA-N 0 0 423.969 5.058 50 0 HKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(-n2ccc3ccccc32)s1 ZINC000009229188 571239609 /nfs/dbraw/zinc/23/96/09/571239609.db2.gz JOCVSBARVJMCNZ-UHFFFAOYSA-N 0 0 422.509 6.175 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009231895 557830765 /nfs/dbraw/zinc/83/07/65/557830765.db2.gz HLQCVVATJKJYMX-SNVBAGLBSA-N 0 0 417.214 5.004 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009231896 557830805 /nfs/dbraw/zinc/83/08/05/557830805.db2.gz HLQCVVATJKJYMX-JTQLQIEISA-N 0 0 417.214 5.004 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009232181 557830724 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CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000009233354 571239775 /nfs/dbraw/zinc/23/97/75/571239775.db2.gz ADIHAIFZIXPPCD-RQZCQDPDSA-N 0 0 424.305 5.334 50 0 HKAARN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000009233380 571239797 /nfs/dbraw/zinc/23/97/97/571239797.db2.gz FTOKOLOCMBCCOL-CAOOACKPSA-N 0 0 403.290 5.711 50 0 HKAARN COc1cccc(NC=C2C(=O)N(c3ccc(F)cc3Cl)C(=O)c3ccccc32)c1 ZINC000009233389 132337434 /nfs/dbraw/zinc/33/74/34/132337434.db2.gz FOMJNJXPTJCEFV-CPNJWEJPSA-N 0 0 422.843 5.128 50 0 HKAARN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1 ZINC000009233775 557831010 /nfs/dbraw/zinc/83/10/10/557831010.db2.gz ADOAQPLBVQUGHN-HYARGMPZSA-N 0 0 419.477 5.641 50 0 HKAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1C ZINC000009233802 571239830 /nfs/dbraw/zinc/23/98/30/571239830.db2.gz DMASJEOGOLWSIS-FYJGNVAPSA-N 0 0 416.502 5.132 50 0 HKAARN CCc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009233812 571239770 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O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)Nc1ccc(F)cc1 ZINC000009235164 557831281 /nfs/dbraw/zinc/83/12/81/557831281.db2.gz MHBBRYXAOQCFIO-UHFFFAOYSA-N 0 0 404.470 5.501 50 0 HKAARN CCOc1cc(C=O)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000009235411 535670660 /nfs/dbraw/zinc/67/06/60/535670660.db2.gz JEQOOISDSQWAAT-UHFFFAOYSA-N 0 0 405.475 5.106 50 0 HKAARN COc1ccc(NC(=O)c2cc3cc(Cc4ccccc4Cl)ccc3oc2=O)cc1 ZINC000009235460 571240029 /nfs/dbraw/zinc/24/00/29/571240029.db2.gz YDXQBFGCVKEFHD-UHFFFAOYSA-N 0 0 419.864 5.298 50 0 HKAARN Cc1cc2nc(-c3cc4cc(Cc5ccccc5Cl)ccc4oc3=O)[nH]c2cc1C ZINC000009235464 571240016 /nfs/dbraw/zinc/24/00/16/571240016.db2.gz IQPCIGOLFXPCJQ-UHFFFAOYSA-N 0 0 414.892 6.197 50 0 HKAARN COc1ccc(-n2c(/C=C/c3c[nH]c4ccc(OC)cc34)nc3ccccc3c2=O)cc1 ZINC000009235782 571240019 /nfs/dbraw/zinc/24/00/19/571240019.db2.gz PVKZUROIYSFROR-VGOFMYFVSA-N 0 0 423.472 5.055 50 0 HKAARN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccc(Br)cc3)c2)o1 ZINC000009235839 557831396 /nfs/dbraw/zinc/83/13/96/557831396.db2.gz NVMQOENEVCNRES-UHFFFAOYSA-N 0 0 419.658 5.532 50 0 HKAARN CCOc1cc(Cl)c(Cl)c2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc12 ZINC000009236289 571240243 /nfs/dbraw/zinc/24/02/43/571240243.db2.gz OLKJFVGQKGZMII-UHFFFAOYSA-N 0 0 406.265 5.368 50 0 HKAARN O=C(Nc1ccccc1F)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000009239259 571240695 /nfs/dbraw/zinc/24/06/95/571240695.db2.gz FELNOLFJUFFGCC-UHFFFAOYSA-N 0 0 407.828 5.429 50 0 HKAARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc43)sc2c1 ZINC000009241514 571240892 /nfs/dbraw/zinc/24/08/92/571240892.db2.gz BEJJMQRXQVKHFO-UHFFFAOYSA-N 0 0 423.541 5.929 50 0 HKAARN O=C(CCSc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000009241746 571241010 /nfs/dbraw/zinc/24/10/10/571241010.db2.gz ROMMWTSENLBGCD-UHFFFAOYSA-N 0 0 423.538 5.546 50 0 HKAARN CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)sc2c1 ZINC000009241919 571240918 /nfs/dbraw/zinc/24/09/18/571240918.db2.gz ZFMQJWGHAOVRJF-UHFFFAOYSA-N 0 0 423.541 6.254 50 0 HKAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc43)nc21 ZINC000009241982 571240947 /nfs/dbraw/zinc/24/09/47/571240947.db2.gz GIKRPTMJFVPHQF-UHFFFAOYSA-N 0 0 409.514 6.000 50 0 HKAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000009242809 571240910 /nfs/dbraw/zinc/24/09/10/571240910.db2.gz DCIYKDJECGLQLM-UHFFFAOYSA-N 0 0 415.305 5.500 50 0 HKAARN Cc1csc(N(C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c2ccccc2)n1 ZINC000009244394 571241201 /nfs/dbraw/zinc/24/12/01/571241201.db2.gz NYWJYQNKBSHCSM-UHFFFAOYSA-N 0 0 423.538 5.930 50 0 HKAARN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3O)nc2c1 ZINC000009244493 557832626 /nfs/dbraw/zinc/83/26/26/557832626.db2.gz NOQXMKXXWBGITC-UHFFFAOYSA-N 0 0 421.478 5.044 50 0 HKAARN CCc1ccc(C(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)s1 ZINC000009244930 557039543 /nfs/dbraw/zinc/03/95/43/557039543.db2.gz LUBUOHCTSXOXPE-UHFFFAOYSA-N 0 0 422.622 5.438 50 0 HKAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)nc2ccccc21 ZINC000009245057 571241202 /nfs/dbraw/zinc/24/12/02/571241202.db2.gz JNPDKOOFXKWUEO-UHFFFAOYSA-N 0 0 423.881 5.035 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009245293 571241181 /nfs/dbraw/zinc/24/11/81/571241181.db2.gz SFCUBRSUZKNVDF-UHFFFAOYSA-N 0 0 413.861 5.818 50 0 HKAARN Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000009246332 571241423 /nfs/dbraw/zinc/24/14/23/571241423.db2.gz DKMBIBLDQNZJEM-RWEWTDSWSA-N 0 0 420.299 6.824 50 0 HKAARN Cc1c(-c2ccccc2)nc(SCC(=O)Nc2nccs2)n1-c1cccc(C)c1 ZINC000009246440 571241439 /nfs/dbraw/zinc/24/14/39/571241439.db2.gz NRMUZFNEFRFQOI-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000009250022 571241744 /nfs/dbraw/zinc/24/17/44/571241744.db2.gz JITRKKHVLGAGGH-UHFFFAOYSA-N 0 0 420.534 5.324 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000009250026 571241748 /nfs/dbraw/zinc/24/17/48/571241748.db2.gz JQEYHKBFUPELER-UHFFFAOYSA-N 0 0 410.926 5.579 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c(C)c1 ZINC000009250029 571241728 /nfs/dbraw/zinc/24/17/28/571241728.db2.gz GOWKCXHTHDRUJC-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1 ZINC000009250033 571241722 /nfs/dbraw/zinc/24/17/22/571241722.db2.gz CJZBKXDYQBCTDP-UHFFFAOYSA-N 0 0 419.550 5.244 50 0 HKAARN CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000009250034 571241723 /nfs/dbraw/zinc/24/17/23/571241723.db2.gz LXHKKHDLVGDPFN-UHFFFAOYSA-N 0 0 419.550 5.244 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2c(C)cccc2C)n1 ZINC000009250035 571241724 /nfs/dbraw/zinc/24/17/24/571241724.db2.gz WQNLBFNRGCFTJF-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000009250052 571241732 /nfs/dbraw/zinc/24/17/32/571241732.db2.gz CZTPVIDXJNRSIS-UHFFFAOYSA-N 0 0 420.534 5.243 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(SCC(=O)c2ccccc2)n1 ZINC000009250059 571241934 /nfs/dbraw/zinc/24/19/34/571241934.db2.gz LJHIVFWIYNBMEI-UHFFFAOYSA-N 0 0 410.926 5.579 50 0 HKAARN Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250071 571241931 /nfs/dbraw/zinc/24/19/31/571241931.db2.gz QUZUUXNFKHWQFF-UHFFFAOYSA-N 0 0 404.535 5.543 50 0 HKAARN Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c1 ZINC000009250080 571241879 /nfs/dbraw/zinc/24/18/79/571241879.db2.gz RMLVNLRBDROCMQ-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)c2ccc(F)cc2)n1 ZINC000009250089 571241917 /nfs/dbraw/zinc/24/19/17/571241917.db2.gz BCJYXBLWYQSWLG-UHFFFAOYSA-N 0 0 408.498 5.373 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000009250093 571241935 /nfs/dbraw/zinc/24/19/35/571241935.db2.gz IQDKXHCUDCXYBS-UHFFFAOYSA-N 0 0 424.953 5.888 50 0 HKAARN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccccc2C)n1 ZINC000009250095 571241988 /nfs/dbraw/zinc/24/19/88/571241988.db2.gz CCAPJNQHZQZSAS-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250098 571241955 /nfs/dbraw/zinc/24/19/55/571241955.db2.gz CXOXWMRESUAPKJ-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)c1 ZINC000009250120 571241940 /nfs/dbraw/zinc/24/19/40/571241940.db2.gz UBNFGYQINMBFTL-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(F)cc2)c1 ZINC000009250129 571241973 /nfs/dbraw/zinc/24/19/73/571241973.db2.gz WUIPHCDCZNUANM-UHFFFAOYSA-N 0 0 408.498 5.373 50 0 HKAARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000009250130 571241962 /nfs/dbraw/zinc/24/19/62/571241962.db2.gz CGSDLIURICSSRV-UHFFFAOYSA-N 0 0 420.534 5.243 50 0 HKAARN COc1cccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)c1 ZINC000009250132 571241967 /nfs/dbraw/zinc/24/19/67/571241967.db2.gz XSJFNKREZKCLMH-UHFFFAOYSA-N 0 0 420.534 5.243 50 0 HKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(Cl)cc2)c1 ZINC000009250135 571241913 /nfs/dbraw/zinc/24/19/13/571241913.db2.gz AMXNFFRIERRBNI-UHFFFAOYSA-N 0 0 424.953 5.888 50 0 HKAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2C)c1 ZINC000009250136 571241877 /nfs/dbraw/zinc/24/18/77/571241877.db2.gz QNKJHVFKQWCQCA-UHFFFAOYSA-N 0 0 419.550 5.298 50 0 HKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(C)cc1 ZINC000009250146 571241905 /nfs/dbraw/zinc/24/19/05/571241905.db2.gz YPAJBDUARHNULI-UHFFFAOYSA-N 0 0 420.534 5.243 50 0 HKAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(F)cc1 ZINC000009250156 571241957 /nfs/dbraw/zinc/24/19/57/571241957.db2.gz GEZVQTGQNIFSJA-UHFFFAOYSA-N 0 0 424.497 5.073 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccccc1 ZINC000009250198 571241888 /nfs/dbraw/zinc/24/18/88/571241888.db2.gz SMMXPGLJUQHROI-UHFFFAOYSA-N 0 0 420.534 5.324 50 0 HKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccccc2)cc1 ZINC000009250240 571241924 /nfs/dbraw/zinc/24/19/24/571241924.db2.gz BPXYVOLBKZPEMC-UHFFFAOYSA-N 0 0 404.535 5.488 50 0 HKAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000009250243 571241892 /nfs/dbraw/zinc/24/18/92/571241892.db2.gz WPQINPKBWGBBDS-UHFFFAOYSA-N 0 0 419.550 5.244 50 0 HKAARN CCCOc1ccc2nc(NC(=O)c3sc(-c4ccccc4)nc3C)sc2c1 ZINC000009250305 571241907 /nfs/dbraw/zinc/24/19/07/571241907.db2.gz MBCXGNWYMNTYCF-UHFFFAOYSA-N 0 0 409.536 5.769 50 0 HKAARN CCCOc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 ZINC000009250310 571241972 /nfs/dbraw/zinc/24/19/72/571241972.db2.gz UURMYBDMAIBKFV-UHFFFAOYSA-N 0 0 409.536 5.390 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(C)cc1C)SCC(=O)N2 ZINC000009250672 571241922 /nfs/dbraw/zinc/24/19/22/571241922.db2.gz BVYJUZRGDHPLAB-HXUWFJFHSA-N 0 0 420.563 5.182 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(C)cc1C)SCC(=O)N2 ZINC000009250674 571241996 /nfs/dbraw/zinc/24/19/96/571241996.db2.gz BVYJUZRGDHPLAB-FQEVSTJZSA-N 0 0 420.563 5.182 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000009250746 571241946 /nfs/dbraw/zinc/24/19/46/571241946.db2.gz NLHDXYJZNAEBLG-QFIPXVFZSA-N 0 0 407.539 5.051 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000009250747 571241984 /nfs/dbraw/zinc/24/19/84/571241984.db2.gz NLHDXYJZNAEBLG-JOCHJYFZSA-N 0 0 407.539 5.051 50 0 HKAARN CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000009250758 571242203 /nfs/dbraw/zinc/24/22/03/571242203.db2.gz YEZDTGAJOKZRGG-QHCPKHFHSA-N 0 0 414.977 5.186 50 0 HKAARN CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000009250759 571242256 /nfs/dbraw/zinc/24/22/56/571242256.db2.gz YEZDTGAJOKZRGG-HSZRJFAPSA-N 0 0 414.977 5.186 50 0 HKAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 ZINC000009250760 571242159 /nfs/dbraw/zinc/24/21/59/571242159.db2.gz LNUXNPXXYAIFNQ-QFIPXVFZSA-N 0 0 424.972 5.914 50 0 HKAARN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 ZINC000009250761 571242116 /nfs/dbraw/zinc/24/21/16/571242116.db2.gz LNUXNPXXYAIFNQ-JOCHJYFZSA-N 0 0 424.972 5.914 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000009250762 571242192 /nfs/dbraw/zinc/24/21/92/571242192.db2.gz SJQQBVQVOMDFHL-NRFANRHFSA-N 0 0 410.945 5.660 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000009250763 571242245 /nfs/dbraw/zinc/24/22/45/571242245.db2.gz SJQQBVQVOMDFHL-OAQYLSRUSA-N 0 0 410.945 5.660 50 0 HKAARN Cc1cc(C)n(-c2nc(C)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)n1 ZINC000009250775 571242197 /nfs/dbraw/zinc/24/21/97/571242197.db2.gz ZRHBZRUPRQUFTN-UHFFFAOYSA-N 0 0 416.550 5.097 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)c1C ZINC000009250782 571242224 /nfs/dbraw/zinc/24/22/24/571242224.db2.gz QCXRJTFWFNBJEY-UHFFFAOYSA-N 0 0 402.951 5.502 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)s2)c1C ZINC000009250783 571242254 /nfs/dbraw/zinc/24/22/54/571242254.db2.gz YTYZKXIBLBVTDQ-UHFFFAOYSA-N 0 0 410.543 5.052 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)c1C ZINC000009250784 571242150 /nfs/dbraw/zinc/24/21/50/571242150.db2.gz RGULIKFQYGABHD-UHFFFAOYSA-N 0 0 416.978 5.811 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)c1C ZINC000009250785 571242171 /nfs/dbraw/zinc/24/21/71/571242171.db2.gz FSSNBYDQQLVIQI-UHFFFAOYSA-N 0 0 410.543 5.052 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)c1C ZINC000009250790 571242190 /nfs/dbraw/zinc/24/21/90/571242190.db2.gz NVWRTLQEVYNFTO-UHFFFAOYSA-N 0 0 402.951 5.502 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)s2)c1C ZINC000009250796 571242252 /nfs/dbraw/zinc/24/22/52/571242252.db2.gz UQSKPDZTVLXVLM-UHFFFAOYSA-N 0 0 416.978 5.811 50 0 HKAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3C)s2)c1C ZINC000009250797 571242111 /nfs/dbraw/zinc/24/21/11/571242111.db2.gz YBKIGBQRSONGED-UHFFFAOYSA-N 0 0 416.978 5.811 50 0 HKAARN O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000009250947 571242228 /nfs/dbraw/zinc/24/22/28/571242228.db2.gz QRBRDZATZBEHJA-UHFFFAOYSA-N 0 0 408.954 5.751 50 0 biogenic HKAARN O=c1[nH]c(SCc2ccccc2Cl)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000009250948 571242184 /nfs/dbraw/zinc/24/21/84/571242184.db2.gz KPCLWNUOFRLFHT-UHFFFAOYSA-N 0 0 408.954 5.751 50 0 biogenic HKAARN O=c1c2c(nc(SCCO)n1C1CCCCC1)-c1ccccc1CC21CCCCC1 ZINC000009250953 571242163 /nfs/dbraw/zinc/24/21/63/571242163.db2.gz VBXCRHPXBVMEFC-UHFFFAOYSA-N 0 0 424.610 5.258 50 0 biogenic HKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C ZINC000009251034 571242425 /nfs/dbraw/zinc/24/24/25/571242425.db2.gz RDSMVXQRFYWIGV-KRWDZBQOSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C ZINC000009251035 571242411 /nfs/dbraw/zinc/24/24/11/571242411.db2.gz RDSMVXQRFYWIGV-QGZVFWFLSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000009251036 571242381 /nfs/dbraw/zinc/24/23/81/571242381.db2.gz SMCXXMSGCGCJOT-KRWDZBQOSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000009251037 571242426 /nfs/dbraw/zinc/24/24/26/571242426.db2.gz SMCXXMSGCGCJOT-QGZVFWFLSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(C)c1Cl ZINC000009251046 571242456 /nfs/dbraw/zinc/24/24/56/571242456.db2.gz MFSNWHWLNKIART-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1cc(Cl)ccc1Cl ZINC000009251133 571242454 /nfs/dbraw/zinc/24/24/54/571242454.db2.gz OIZWKILBHRRXJN-UHFFFAOYSA-N 0 0 420.365 6.046 50 0 HKAARN CCN(c1nnc(NC(=O)Nc2ccccc2Br)s1)c1ccccc1 ZINC000009251175 571242445 /nfs/dbraw/zinc/24/24/45/571242445.db2.gz RZUJBENHDSWDIC-UHFFFAOYSA-N 0 0 418.320 5.103 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CCc1ccc(OC)cc1 ZINC000009251315 571242460 /nfs/dbraw/zinc/24/24/60/571242460.db2.gz NLPSKOYRZGBHPR-UHFFFAOYSA-N 0 0 422.525 5.275 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)COc1cccc(C)c1 ZINC000009251317 571242372 /nfs/dbraw/zinc/24/23/72/571242372.db2.gz GSLJAPFGLHFKPQ-UHFFFAOYSA-N 0 0 408.498 5.021 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251332 571242418 /nfs/dbraw/zinc/24/24/18/571242418.db2.gz OYKPIVLYGFKDQB-UHFFFAOYSA-N 0 0 423.896 6.315 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251377 571242452 /nfs/dbraw/zinc/24/24/52/571242452.db2.gz OPZCVHZIIKMXSU-UHFFFAOYSA-N 0 0 423.896 6.233 50 0 biogenic HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251382 571242434 /nfs/dbraw/zinc/24/24/34/571242434.db2.gz PCDUPGVBFKGVQX-UHFFFAOYSA-N 0 0 423.896 6.233 50 0 biogenic HKAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251384 571242409 /nfs/dbraw/zinc/24/24/09/571242409.db2.gz GWYBBTKZOYWEGF-UHFFFAOYSA-N 0 0 423.896 6.233 50 0 biogenic HKAARN CN1c2cc(NC(=O)NCc3ccccc3Cl)ccc2Sc2ccccc2C1=O ZINC000009251511 571242415 /nfs/dbraw/zinc/24/24/15/571242415.db2.gz IPSXLVIWLRQPNL-UHFFFAOYSA-N 0 0 423.925 5.403 50 0 HKAARN CCN1c2cc(NC(=O)Nc3ccccc3Cl)ccc2Sc2ccccc2C1=O ZINC000009251524 571242432 /nfs/dbraw/zinc/24/24/32/571242432.db2.gz DIRXIULAGSGRFG-UHFFFAOYSA-N 0 0 423.925 6.115 50 0 HKAARN CCN1c2cc(NC(=O)NCc3ccccc3F)ccc2Sc2ccccc2C1=O ZINC000009251534 571242370 /nfs/dbraw/zinc/24/23/70/571242370.db2.gz FFQGZCDUKBKUPU-UHFFFAOYSA-N 0 0 421.497 5.279 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccccn1)c2Sc1ccc(Cl)cc1 ZINC000009251992 571242605 /nfs/dbraw/zinc/24/26/05/571242605.db2.gz INXHYWMSBVHJRR-UHFFFAOYSA-N 0 0 423.925 5.306 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1cccnc1)c2Sc1ccc(Cl)cc1 ZINC000009251993 571242634 /nfs/dbraw/zinc/24/26/34/571242634.db2.gz OZFDUTZIEMHZNN-UHFFFAOYSA-N 0 0 423.925 5.306 50 0 HKAARN CN(c1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1OC2 ZINC000009252050 571242594 /nfs/dbraw/zinc/24/25/94/571242594.db2.gz VSGCJWJFYUSLFV-UHFFFAOYSA-N 0 0 417.871 6.263 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3nn(C)c4c3COc3ccccc3-4)ccc21 ZINC000009252139 571242599 /nfs/dbraw/zinc/24/25/99/571242599.db2.gz LRYKZTUDJNKLJL-UHFFFAOYSA-N 0 0 422.488 5.360 50 0 HKAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C(c1ccccc1)c1ccccc1 ZINC000009252149 571242603 /nfs/dbraw/zinc/24/26/03/571242603.db2.gz DZLDBOUWAUSZHT-UHFFFAOYSA-N 0 0 421.525 6.129 50 0 HKAARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2cccnc2s1 ZINC000009252154 571242554 /nfs/dbraw/zinc/24/25/54/571242554.db2.gz SAZVRUSOOJSRIU-UHFFFAOYSA-N 0 0 414.284 5.275 50 0 HKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc(Br)o1 ZINC000009252158 571242639 /nfs/dbraw/zinc/24/26/39/571242639.db2.gz BGFGOJJZPCBEHF-UHFFFAOYSA-N 0 0 414.284 5.275 50 0 HKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000009252408 557832723 /nfs/dbraw/zinc/83/27/23/557832723.db2.gz ZXVFRPAPCWSYSY-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)c(C)c3)nn12 ZINC000009252414 557832710 /nfs/dbraw/zinc/83/27/10/557832710.db2.gz BAROBXZFILOERN-UHFFFAOYSA-N 0 0 405.527 5.019 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000009252433 571242596 /nfs/dbraw/zinc/24/25/96/571242596.db2.gz WJIKFFZOLNXKNR-UHFFFAOYSA-N 0 0 404.897 6.525 50 0 HKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000009252448 571242581 /nfs/dbraw/zinc/24/25/81/571242581.db2.gz 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ZINC000009253229 571242784 /nfs/dbraw/zinc/24/27/84/571242784.db2.gz AQISYUQHGXBKKM-UHFFFAOYSA-N 0 0 424.460 5.713 50 0 HKAARN Clc1cccc(-c2cnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)c1 ZINC000009253392 571242885 /nfs/dbraw/zinc/24/28/85/571242885.db2.gz HZUULFRCZTZYGS-UHFFFAOYSA-N 0 0 413.842 5.066 50 0 HKAARN CCOc1ccc(NC(=O)CSCc2cc(Cl)ccc2OC)cc1OCC ZINC000009253464 571242976 /nfs/dbraw/zinc/24/29/76/571242976.db2.gz YVGSBUSGEQZXQH-UHFFFAOYSA-N 0 0 409.935 5.018 50 0 HKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(F)cc2)cc1 ZINC000009253477 571242981 /nfs/dbraw/zinc/24/29/81/571242981.db2.gz YDMYWFVYIYKWNF-UHFFFAOYSA-N 0 0 423.827 5.513 50 0 HKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc12 ZINC000009253482 571242971 /nfs/dbraw/zinc/24/29/71/571242971.db2.gz OFVJELILVMCORQ-QGZVFWFLSA-N 0 0 424.595 5.649 50 0 HKAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc12 ZINC000009253485 571242922 /nfs/dbraw/zinc/24/29/22/571242922.db2.gz OFVJELILVMCORQ-KRWDZBQOSA-N 0 0 424.595 5.649 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(-c4ccccc4F)o3)n2)c1 ZINC000009253815 571242979 /nfs/dbraw/zinc/24/29/79/571242979.db2.gz MAONRILCCPNWHA-UHFFFAOYSA-N 0 0 424.453 5.479 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000009253977 571243127 /nfs/dbraw/zinc/24/31/27/571243127.db2.gz SSWIMSMSBMTCIT-UHFFFAOYSA-N 0 0 423.972 5.056 50 0 HKAARN Cc1ccc(-c2nc(COC(=O)c3ncc(Cl)c(Cl)c3Cl)cs2)cc1 ZINC000009253989 571243103 /nfs/dbraw/zinc/24/31/03/571243103.db2.gz KKMRNNYCNHJQME-UHFFFAOYSA-N 0 0 413.713 5.831 50 0 HKAARN Clc1ccc(OCc2nc(SCc3cc4ccccc4nc3Cl)n[nH]2)cc1 ZINC000009254239 571243153 /nfs/dbraw/zinc/24/31/53/571243153.db2.gz JGGQCGMMKPYATF-UHFFFAOYSA-N 0 0 417.321 5.531 50 0 HKAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2ccccc2c1 ZINC000009254412 571243124 /nfs/dbraw/zinc/24/31/24/571243124.db2.gz VBDBXOOJKKNWLQ-AWEZNQCLSA-N 0 0 423.588 5.936 50 0 HKAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2ccccc2c1 ZINC000009254415 571243081 /nfs/dbraw/zinc/24/30/81/571243081.db2.gz VBDBXOOJKKNWLQ-CQSZACIVSA-N 0 0 423.588 5.936 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3cc(F)c(Cl)cc3Cl)o2)cc1 ZINC000009254420 571243085 /nfs/dbraw/zinc/24/30/85/571243085.db2.gz LONROOKKBVVNSV-ZDUSSCGKSA-N 0 0 421.299 5.906 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3cc(F)c(Cl)cc3Cl)o2)cc1 ZINC000009254424 571243120 /nfs/dbraw/zinc/24/31/20/571243120.db2.gz LONROOKKBVVNSV-CYBMUJFWSA-N 0 0 421.299 5.906 50 0 HKAARN CSc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000009254659 571243364 /nfs/dbraw/zinc/24/33/64/571243364.db2.gz DMISGNQORWRQIZ-GOSISDBHSA-N 0 0 410.564 5.345 50 0 HKAARN CSc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000009254661 571243267 /nfs/dbraw/zinc/24/32/67/571243267.db2.gz DMISGNQORWRQIZ-SFHVURJKSA-N 0 0 410.564 5.345 50 0 HKAARN Cc1cccc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccco2)c1 ZINC000009254725 571243271 /nfs/dbraw/zinc/24/32/71/571243271.db2.gz SXMPVHQKMQBGSO-UHFFFAOYSA-N 0 0 418.547 5.797 50 0 HKAARN COCCn1c(Cc2ccccc2)nnc1SCc1cc2ccccc2nc1Cl ZINC000009254957 571243295 /nfs/dbraw/zinc/24/32/95/571243295.db2.gz HXRWTCKSEVRVLX-UHFFFAOYSA-N 0 0 424.957 5.009 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009255642 571243498 /nfs/dbraw/zinc/24/34/98/571243498.db2.gz VASJAOCQMIJIHN-UHFFFAOYSA-N 0 0 422.410 5.265 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cs1 ZINC000009255819 571243488 /nfs/dbraw/zinc/24/34/88/571243488.db2.gz GXYLSGDRMHDUIS-UHFFFAOYSA-N 0 0 422.506 5.324 50 0 HKAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc2ccccc21 ZINC000009255906 571243508 /nfs/dbraw/zinc/24/35/08/571243508.db2.gz UKLJSUNPKSMKIV-AWEZNQCLSA-N 0 0 423.588 5.936 50 0 HKAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc2ccccc21 ZINC000009255907 571243520 /nfs/dbraw/zinc/24/35/20/571243520.db2.gz UKLJSUNPKSMKIV-CQSZACIVSA-N 0 0 423.588 5.936 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)c2)cs1 ZINC000009255916 571243523 /nfs/dbraw/zinc/24/35/23/571243523.db2.gz 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ZINC000009256735 571243622 /nfs/dbraw/zinc/24/36/22/571243622.db2.gz CTMQNIIKWRKNLD-UHFFFAOYSA-N 0 0 424.503 5.471 50 0 HKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2ccccc2)o1 ZINC000009256809 571243637 /nfs/dbraw/zinc/24/36/37/571243637.db2.gz YALDDZCJHVZPQO-STQMWFEESA-N 0 0 424.551 5.826 50 0 HKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccccc2)o1 ZINC000009256810 571243639 /nfs/dbraw/zinc/24/36/39/571243639.db2.gz YALDDZCJHVZPQO-CHWSQXEVSA-N 0 0 424.551 5.826 50 0 HKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nnc(-c2ccccc2)o1 ZINC000009256811 571243657 /nfs/dbraw/zinc/24/36/57/571243657.db2.gz YALDDZCJHVZPQO-QWHCGFSZSA-N 0 0 424.551 5.826 50 0 HKAARN O=C1NC(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)S1 ZINC000009259034 557832964 /nfs/dbraw/zinc/83/29/64/557832964.db2.gz JFVPEDHDPWRLGV-IZZDOVSWSA-N 0 0 416.705 5.171 50 0 HKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000009259302 557832884 /nfs/dbraw/zinc/83/28/84/557832884.db2.gz 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CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000009265281 132337930 /nfs/dbraw/zinc/33/79/30/132337930.db2.gz WMRCPLKTTSFSKB-QHCPKHFHSA-N 0 0 424.903 6.285 50 0 HKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCCCCC2)cc1 ZINC000009265643 571243999 /nfs/dbraw/zinc/24/39/99/571243999.db2.gz LDHCUSBNXMJRHQ-UHFFFAOYSA-N 0 0 406.482 5.100 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCCCCC1 ZINC000009265645 571243942 /nfs/dbraw/zinc/24/39/42/571243942.db2.gz WBZRBHRTMFQJBZ-UHFFFAOYSA-N 0 0 406.482 5.100 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000009265707 571244052 /nfs/dbraw/zinc/24/40/52/571244052.db2.gz OOQLKMPDKRGZQP-QGZVFWFLSA-N 0 0 408.498 5.101 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Oc1ccccc1 ZINC000009265708 571244057 /nfs/dbraw/zinc/24/40/57/571244057.db2.gz OOQLKMPDKRGZQP-KRWDZBQOSA-N 0 0 408.498 5.101 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OCC ZINC000009265717 571244123 /nfs/dbraw/zinc/24/41/23/571244123.db2.gz 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CCN(c1ccccc1)c1nc2nonc2nc1Nc1ccc(Oc2ccccc2)cc1 ZINC000009273082 571244505 /nfs/dbraw/zinc/24/45/05/571244505.db2.gz DPNWLCFBHNIBBP-UHFFFAOYSA-N 0 0 424.464 5.707 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1OC ZINC000009274431 571244429 /nfs/dbraw/zinc/24/44/29/571244429.db2.gz BBILVNLMDGAPSV-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1 ZINC000009274872 571244605 /nfs/dbraw/zinc/24/46/05/571244605.db2.gz JQJAEQSKLBLHOU-UHFFFAOYSA-N 0 0 413.058 5.058 50 0 HKAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1Br ZINC000009274877 571244571 /nfs/dbraw/zinc/24/45/71/571244571.db2.gz MLJDWVQMYROXRS-UHFFFAOYSA-N 0 0 413.058 5.058 50 0 HKAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1Cl ZINC000009274879 571244584 /nfs/dbraw/zinc/24/45/84/571244584.db2.gz NSQCKDDLHBTCPF-UHFFFAOYSA-N 0 0 403.052 5.603 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000009274881 571244563 /nfs/dbraw/zinc/24/45/63/571244563.db2.gz 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/nfs/dbraw/zinc/24/46/24/571244624.db2.gz NITPIGHBKJQQFP-UHFFFAOYSA-N 0 0 422.500 6.007 50 0 HKAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000009277457 571244552 /nfs/dbraw/zinc/24/45/52/571244552.db2.gz ZATGBCCTEGRRDX-UHFFFAOYSA-N 0 0 416.974 5.246 50 0 HKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Br)cccc12 ZINC000009280134 560757643 /nfs/dbraw/zinc/75/76/43/560757643.db2.gz DDTNBAOKJDCFLQ-UHFFFAOYSA-N 0 0 417.715 6.118 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3cccs3)c3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000009280885 571244590 /nfs/dbraw/zinc/24/45/90/571244590.db2.gz IEQYIOICZOCVOE-UHFFFAOYSA-N 0 0 402.519 5.362 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 ZINC000009281086 571244545 /nfs/dbraw/zinc/24/45/45/571244545.db2.gz ZEPHLDJZHVULSG-FQEVSTJZSA-N 0 0 420.827 5.039 50 0 HKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 ZINC000009281091 571244538 /nfs/dbraw/zinc/24/45/38/571244538.db2.gz VLIYUWBKHRCMGL-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)c1 ZINC000009281316 571244574 /nfs/dbraw/zinc/24/45/74/571244574.db2.gz DZAFRGFQFFRSNQ-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)C3CCCCC3)cc2c1 ZINC000009281575 571244668 /nfs/dbraw/zinc/24/46/68/571244668.db2.gz AZPHOEIIEHVVCH-UHFFFAOYSA-N 0 0 408.929 5.465 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009281639 571244659 /nfs/dbraw/zinc/24/46/59/571244659.db2.gz LQYWKXXDJLYOON-WMZHIEFXSA-N 0 0 422.843 5.450 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000009281640 571244768 /nfs/dbraw/zinc/24/47/68/571244768.db2.gz LQYWKXXDJLYOON-CVDCTZTESA-N 0 0 422.843 5.450 50 0 HKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)c(C)c1 ZINC000009281909 571244758 /nfs/dbraw/zinc/24/47/58/571244758.db2.gz MKSSHLZLJGDJDD-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)c1 ZINC000009282100 571244737 /nfs/dbraw/zinc/24/47/37/571244737.db2.gz CFPSGZZJEYFXJX-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)n1 ZINC000009282574 571244761 /nfs/dbraw/zinc/24/47/61/571244761.db2.gz ZEPHLDJZHVULSG-HXUWFJFHSA-N 0 0 420.827 5.039 50 0 HKAARN O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc(C2SCCCS2)cc1 ZINC000009282978 571244727 /nfs/dbraw/zinc/24/47/27/571244727.db2.gz PNZNGRJPMUQEHF-UHFFFAOYSA-N 0 0 422.955 5.432 50 0 HKAARN S=C(Nc1cccc(I)c1)Nc1ccc(Cl)cc1Cl ZINC000009283046 571244783 /nfs/dbraw/zinc/24/47/83/571244783.db2.gz KSEDGAXDVGYNOM-UHFFFAOYSA-N 0 0 423.106 5.407 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c(C)c1 ZINC000009283324 571244869 /nfs/dbraw/zinc/24/48/69/571244869.db2.gz AMDXMZYIFBTWPC-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN CCCCCn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O ZINC000009283342 571244858 /nfs/dbraw/zinc/24/48/58/571244858.db2.gz DAPFHMSLCUQAOJ-UHFFFAOYSA-N 0 0 424.551 5.024 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009284339 571244991 /nfs/dbraw/zinc/24/49/91/571244991.db2.gz LVMLWTREFBSUHW-UHFFFAOYSA-N 0 0 422.941 5.577 50 0 HKAARN Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C(F)(F)F ZINC000009284642 571245012 /nfs/dbraw/zinc/24/50/12/571245012.db2.gz CCKYNFDBVYMMFB-KRWDZBQOSA-N 0 0 416.428 5.032 50 0 HKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000009285844 571245128 /nfs/dbraw/zinc/24/51/28/571245128.db2.gz BWIKMWJKHDCDKT-UHFFFAOYSA-N 0 0 419.337 5.182 50 0 HKAARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000009288238 557834543 /nfs/dbraw/zinc/83/45/43/557834543.db2.gz STCCWGHFBGPYCO-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2nc3ccccc3n21 ZINC000009288239 557834616 /nfs/dbraw/zinc/83/46/16/557834616.db2.gz STCCWGHFBGPYCO-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1ccc(F)cc1)c2Sc1ccc(Cl)cc1 ZINC000009288241 571245251 /nfs/dbraw/zinc/24/52/51/571245251.db2.gz JXPNOMIYNHHZFN-UHFFFAOYSA-N 0 0 424.928 6.350 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000009288275 557834581 /nfs/dbraw/zinc/83/45/81/557834581.db2.gz JMBVGAJRCYXPKZ-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000009288278 557834591 /nfs/dbraw/zinc/83/45/91/557834591.db2.gz JMBVGAJRCYXPKZ-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288296 557834621 /nfs/dbraw/zinc/83/46/21/557834621.db2.gz NYIHPSJNDAQERS-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288298 557834552 /nfs/dbraw/zinc/83/45/52/557834552.db2.gz NYIHPSJNDAQERS-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1cccc(F)c1)c2Sc1ccc(Cl)cc1 ZINC000009288307 571245214 /nfs/dbraw/zinc/24/52/14/571245214.db2.gz OZEPWEWYVHXLSK-UHFFFAOYSA-N 0 0 424.928 6.350 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1cccc(Cl)c1)c2Sc1ccccc1 ZINC000009288332 571245212 /nfs/dbraw/zinc/24/52/12/571245212.db2.gz DHHJXEJRUBLARH-UHFFFAOYSA-N 0 0 422.937 5.911 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccccc1Cl)c2Sc1ccccc1 ZINC000009288336 571245194 /nfs/dbraw/zinc/24/51/94/571245194.db2.gz NCNUGNDKWCJKER-UHFFFAOYSA-N 0 0 422.937 5.911 50 0 HKAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288532 557834626 /nfs/dbraw/zinc/83/46/26/557834626.db2.gz ITKDTTUXTYJFIG-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000009288533 557834634 /nfs/dbraw/zinc/83/46/34/557834634.db2.gz ITKDTTUXTYJFIG-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000009288558 557834629 /nfs/dbraw/zinc/83/46/29/557834629.db2.gz TZKIMGYHGCZQQC-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000009288559 557834597 /nfs/dbraw/zinc/83/45/97/557834597.db2.gz TZKIMGYHGCZQQC-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000009288566 557834638 /nfs/dbraw/zinc/83/46/38/557834638.db2.gz DZWVWYPOHKIMEM-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000009288568 557834600 /nfs/dbraw/zinc/83/46/00/557834600.db2.gz DZWVWYPOHKIMEM-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CCCCC2)cc1 ZINC000009288863 571245322 /nfs/dbraw/zinc/24/53/22/571245322.db2.gz QKYTVNJTUFQPKV-UHFFFAOYSA-N 0 0 403.530 5.296 50 0 HKAARN Clc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000009289135 571245384 /nfs/dbraw/zinc/24/53/84/571245384.db2.gz PJGRIVWCPYNKAG-UHFFFAOYSA-N 0 0 418.305 5.884 50 0 HKAARN CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000009289137 571245318 /nfs/dbraw/zinc/24/53/18/571245318.db2.gz AMXOAIWGOOGRLK-UHFFFAOYSA-N 0 0 423.925 5.891 50 0 HKAARN COc1cc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)ccc1O ZINC000009289143 571245313 /nfs/dbraw/zinc/24/53/13/571245313.db2.gz FWWVMJQLKVYGFI-UHFFFAOYSA-N 0 0 424.298 5.530 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(Br)cn21 ZINC000009289145 571245340 /nfs/dbraw/zinc/24/53/40/571245340.db2.gz WRURXRHHKIXFAL-UHFFFAOYSA-N 0 0 421.342 5.882 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3nc(C)cc(C)n32)cc1 ZINC000009289164 571245327 /nfs/dbraw/zinc/24/53/27/571245327.db2.gz DBGHAUIRNSAUDW-UHFFFAOYSA-N 0 0 423.314 5.533 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009289254 557834558 /nfs/dbraw/zinc/83/45/58/557834558.db2.gz AGJSNWLNMBHLQH-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000009289256 557834586 /nfs/dbraw/zinc/83/45/86/557834586.db2.gz AGJSNWLNMBHLQH-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN COc1cc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)ccc1O ZINC000009290193 571245464 /nfs/dbraw/zinc/24/54/64/571245464.db2.gz GARJICQHGYHECD-UHFFFAOYSA-N 0 0 424.298 5.530 50 0 HKAARN CC(C)c1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)cc1 ZINC000009290199 571245456 /nfs/dbraw/zinc/24/54/56/571245456.db2.gz MBWPYDQXOLLKRR-UHFFFAOYSA-N 0 0 423.314 5.731 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2ncccn21 ZINC000009290201 571245432 /nfs/dbraw/zinc/24/54/32/571245432.db2.gz QERNNWOGZTZQIP-UHFFFAOYSA-N 0 0 423.314 5.479 50 0 HKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@H](/C=C/c3ccccc3)CC2=O)cc1 ZINC000009290202 571245487 /nfs/dbraw/zinc/24/54/87/571245487.db2.gz RGBFQHQKGWTMQH-SGQUHAKNSA-N 0 0 409.489 5.172 50 0 HKAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@@H](/C=C/c3ccccc3)CC2=O)cc1 ZINC000009290204 571245508 /nfs/dbraw/zinc/24/55/08/571245508.db2.gz RGBFQHQKGWTMQH-CSHXORCISA-N 0 0 409.489 5.172 50 0 HKAARN COCc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1ccccc1 ZINC000009290257 557834780 /nfs/dbraw/zinc/83/47/80/557834780.db2.gz RWPFKSYDTRZKSY-HYSAVQALSA-N 0 0 409.489 5.001 50 0 HKAARN COCc1nn2c(ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)c1-c1ccccc1 ZINC000009290258 557834833 /nfs/dbraw/zinc/83/48/33/557834833.db2.gz RWPFKSYDTRZKSY-JXOMPUQVSA-N 0 0 409.489 5.001 50 0 HKAARN CC[C@H]1Oc2c(OC)cc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000009290994 571245671 /nfs/dbraw/zinc/24/56/71/571245671.db2.gz NNJNUAGMWFUVJF-FUHWJXTLSA-N 0 0 421.722 5.391 50 0 HKAARN CC[C@@H]1Oc2c(OC)cc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000009290996 571245672 /nfs/dbraw/zinc/24/56/72/571245672.db2.gz NNJNUAGMWFUVJF-WMZOPIPTSA-N 0 0 421.722 5.391 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1Cl ZINC000009291031 557834845 /nfs/dbraw/zinc/83/48/45/557834845.db2.gz BVCUQVZUSCBIOX-UHFFFAOYSA-N 0 0 419.937 5.871 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000009291185 571245674 /nfs/dbraw/zinc/24/56/74/571245674.db2.gz WSAXZBBOYVZCQJ-LADGPHEKSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000009291186 571245627 /nfs/dbraw/zinc/24/56/27/571245627.db2.gz WSAXZBBOYVZCQJ-ISKFKSNPSA-N 0 0 423.343 6.853 50 0 HKAARN Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009291355 571245653 /nfs/dbraw/zinc/24/56/53/571245653.db2.gz QNVLQJZPGKNICT-CTNGQTDRSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009291357 571245568 /nfs/dbraw/zinc/24/55/68/571245568.db2.gz QNVLQJZPGKNICT-TZIWHRDSSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009291359 571245657 /nfs/dbraw/zinc/24/56/57/571245657.db2.gz QNVLQJZPGKNICT-FPOVZHCZSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3c4ccccc4nc3N2)cc1 ZINC000009291360 571245561 /nfs/dbraw/zinc/24/55/61/571245561.db2.gz QNVLQJZPGKNICT-PZJWPPBQSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009291378 571245631 /nfs/dbraw/zinc/24/56/31/571245631.db2.gz QSULNCBFCZISDR-CTNGQTDRSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009291379 571245584 /nfs/dbraw/zinc/24/55/84/571245584.db2.gz QSULNCBFCZISDR-PZJWPPBQSA-N 0 0 422.301 6.084 50 0 HKAARN Cc1nn2c(nc(C)cc2SCC(=O)Nc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000009291776 571245727 /nfs/dbraw/zinc/24/57/27/571245727.db2.gz FFBNSCOGYLCTDB-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1Br ZINC000009292057 571308746 /nfs/dbraw/zinc/30/87/46/571308746.db2.gz HXXHSRFZPYIWFC-JXMROGBWSA-N 0 0 415.312 5.233 50 0 HKAARN Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009292397 571245677 /nfs/dbraw/zinc/24/56/77/571245677.db2.gz SYBBVXWKLQAOTA-CTNGQTDRSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009292398 571245715 /nfs/dbraw/zinc/24/57/15/571245715.db2.gz SYBBVXWKLQAOTA-TZIWHRDSSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009292399 571245773 /nfs/dbraw/zinc/24/57/73/571245773.db2.gz SYBBVXWKLQAOTA-FPOVZHCZSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 ZINC000009292400 571245724 /nfs/dbraw/zinc/24/57/24/571245724.db2.gz SYBBVXWKLQAOTA-PZJWPPBQSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292484 571245792 /nfs/dbraw/zinc/24/57/92/571245792.db2.gz QSULNCBFCZISDR-TZIWHRDSSA-N 0 0 422.301 6.084 50 0 HKAARN Fc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3c4ccccc4nc3N2)cc1 ZINC000009292485 571245707 /nfs/dbraw/zinc/24/57/07/571245707.db2.gz QSULNCBFCZISDR-FPOVZHCZSA-N 0 0 422.301 6.084 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292718 571245690 /nfs/dbraw/zinc/24/56/90/571245690.db2.gz NODIDDNOQMKCQW-IRLDBZIGSA-N 0 0 424.331 6.498 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 ZINC000009292719 571245785 /nfs/dbraw/zinc/24/57/85/571245785.db2.gz NODIDDNOQMKCQW-IFMALSPDSA-N 0 0 424.331 6.498 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O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1c1ccccc1 ZINC000009296633 571245942 /nfs/dbraw/zinc/24/59/42/571245942.db2.gz RMJIOTXOVSSFOF-KGENOOAVSA-N 0 0 421.905 6.160 50 0 HKAARN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000009296641 571245949 /nfs/dbraw/zinc/24/59/49/571245949.db2.gz NASKQAUXACJRGG-KGENOOAVSA-N 0 0 421.905 6.160 50 0 HKAARN O=C(Nc1nnc(COc2ccc(F)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000009299985 557835226 /nfs/dbraw/zinc/83/52/26/557835226.db2.gz WSJMGJKTTVOWID-UHFFFAOYSA-N 0 0 413.261 5.207 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000009300576 571245947 /nfs/dbraw/zinc/24/59/47/571245947.db2.gz SJHINTLKWGWBPS-UHFFFAOYSA-N 0 0 410.543 5.810 50 0 HKAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccc(Cl)cc1 ZINC000009301813 557835196 /nfs/dbraw/zinc/83/51/96/557835196.db2.gz BWXDZXYDBLESHF-UHFFFAOYSA-N 0 0 409.696 5.265 50 0 HKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3C)c2c1 ZINC000009302558 571246096 /nfs/dbraw/zinc/24/60/96/571246096.db2.gz 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CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000009433155 571258614 /nfs/dbraw/zinc/25/86/14/571258614.db2.gz ZAKOPOJNDBBRJY-NHCUHLMSSA-N 0 0 424.591 5.063 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@@H]1c1cccs1 ZINC000009433156 571258605 /nfs/dbraw/zinc/25/86/05/571258605.db2.gz ZAKOPOJNDBBRJY-RTWAWAEBSA-N 0 0 424.591 5.063 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000009433157 571258591 /nfs/dbraw/zinc/25/85/91/571258591.db2.gz ZAKOPOJNDBBRJY-LEWJYISDSA-N 0 0 424.591 5.063 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@@H]1c1cccs1 ZINC000009433158 571258606 /nfs/dbraw/zinc/25/86/06/571258606.db2.gz ZAKOPOJNDBBRJY-SFTDATJTSA-N 0 0 424.591 5.063 50 0 HKAARN Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433235 571258573 /nfs/dbraw/zinc/25/85/73/571258573.db2.gz UMDBGCHJVIKFCT-DHIUTWEWSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433236 571258607 /nfs/dbraw/zinc/25/86/07/571258607.db2.gz UMDBGCHJVIKFCT-XZOQPEGZSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433237 571258628 /nfs/dbraw/zinc/25/86/28/571258628.db2.gz UMDBGCHJVIKFCT-PKTZIBPZSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433238 571258592 /nfs/dbraw/zinc/25/85/92/571258592.db2.gz UMDBGCHJVIKFCT-GOTSBHOMSA-N 0 0 418.562 5.632 50 0 HKAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433604 571258616 /nfs/dbraw/zinc/25/86/16/571258616.db2.gz PKKZSAOCHDUMKM-VXKWHMMOSA-N 0 0 408.567 5.030 50 0 HKAARN O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433605 571258635 /nfs/dbraw/zinc/25/86/35/571258635.db2.gz PKKZSAOCHDUMKM-YADHBBJMSA-N 0 0 408.567 5.030 50 0 HKAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433606 571258617 /nfs/dbraw/zinc/25/86/17/571258617.db2.gz PKKZSAOCHDUMKM-FCHUYYIVSA-N 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571258762 /nfs/dbraw/zinc/25/87/62/571258762.db2.gz DMKNAYXXAUOOGK-UHFFFAOYSA-N 0 0 424.594 7.778 50 0 HKAARN Fc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)[nH]1 ZINC000009434180 571258745 /nfs/dbraw/zinc/25/87/45/571258745.db2.gz ACWCEEFSDUWCRS-UHFFFAOYSA-N 0 0 420.512 7.918 50 0 HKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000009434262 571258712 /nfs/dbraw/zinc/25/87/12/571258712.db2.gz CGTOROXHAHIDMY-UHFFFAOYSA-N 0 0 414.515 5.734 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1Cl ZINC000009434388 557843211 /nfs/dbraw/zinc/84/32/11/557843211.db2.gz RITROLHPKGEMGH-UHFFFAOYSA-N 0 0 423.950 5.744 50 0 HKAARN Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)c1 ZINC000009434569 571258701 /nfs/dbraw/zinc/25/87/01/571258701.db2.gz XGPPULYWPJOMGH-ZHZULCJRSA-N 0 0 417.848 5.212 50 0 HKAARN O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009434738 571258734 /nfs/dbraw/zinc/25/87/34/571258734.db2.gz PUCOKGZKIRVVHL-UHFFFAOYSA-N 0 0 412.070 5.663 50 0 HKAARN COc1cccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)c1 ZINC000009434872 571258707 /nfs/dbraw/zinc/25/87/07/571258707.db2.gz JGFIAZUFXNQZAU-LPYMAVHISA-N 0 0 419.864 5.272 50 0 HKAARN Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000009434980 557843196 /nfs/dbraw/zinc/84/31/96/557843196.db2.gz QUTKNXOWMCJTQF-STZFKDTASA-N 0 0 403.865 5.572 50 0 HKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000009435016 571258751 /nfs/dbraw/zinc/25/87/51/571258751.db2.gz HVDCNDGAGAIQGH-CIAFOILYSA-N 0 0 424.283 5.917 50 0 HKAARN O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1cccs1 ZINC000009435142 571258735 /nfs/dbraw/zinc/25/87/35/571258735.db2.gz PUYCKQKEKMFUMD-UHFFFAOYSA-N 0 0 423.497 5.775 50 0 HKAARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000009435158 571258700 /nfs/dbraw/zinc/25/87/00/571258700.db2.gz VLHAVWYOZFHRAG-RPQNVMPDSA-N 0 0 406.492 5.981 50 0 HKAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)Nc4nccs4)c(=O)oc12)CCCC3 ZINC000009435856 571258829 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CCc1ccccc1NC(=O)[C@H](CC)Sc1nnc(CC)n2c3ccsc3cc12 ZINC000009441928 571259150 /nfs/dbraw/zinc/25/91/50/571259150.db2.gz IQBBJUQQQSKJSN-SFHVURJKSA-N 0 0 424.595 5.578 50 0 HKAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2cc(C)ccc2C)c2cc3sccc3n21 ZINC000009441964 571259147 /nfs/dbraw/zinc/25/91/47/571259147.db2.gz JSVNYYHWBVGADV-SFHVURJKSA-N 0 0 424.595 5.633 50 0 HKAARN CCc1nnc(S[C@H](CC)C(=O)Nc2cc(C)ccc2C)c2cc3sccc3n21 ZINC000009441979 571259180 /nfs/dbraw/zinc/25/91/80/571259180.db2.gz JSVNYYHWBVGADV-GOSISDBHSA-N 0 0 424.595 5.633 50 0 HKAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2c(C)cccc2C)c2cc3sccc3n21 ZINC000009442051 571259217 /nfs/dbraw/zinc/25/92/17/571259217.db2.gz XVXYOJOPLFFCMV-KRWDZBQOSA-N 0 0 424.595 5.633 50 0 HKAARN CCc1nnc(S[C@H](CC)C(=O)Nc2c(C)cccc2C)c2cc3sccc3n21 ZINC000009442069 571259214 /nfs/dbraw/zinc/25/92/14/571259214.db2.gz XVXYOJOPLFFCMV-QGZVFWFLSA-N 0 0 424.595 5.633 50 0 HKAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000009442078 571259188 /nfs/dbraw/zinc/25/91/88/571259188.db2.gz RCERXAXDKNIDKM-UHFFFAOYSA-N 0 0 419.531 5.292 50 0 HKAARN CCc1nnc(SCc2nc(-c3ccccc3)oc2C)c2cc3sc(C)cc3n21 ZINC000009442220 571259339 /nfs/dbraw/zinc/25/93/39/571259339.db2.gz CFDGVZBJZQYXSS-UHFFFAOYSA-N 0 0 420.563 6.071 50 0 HKAARN CCc1nnc(SCC(=O)N(CC)c2cccc(C)c2)c2cc3sc(C)cc3n21 ZINC000009442269 571259341 /nfs/dbraw/zinc/25/93/41/571259341.db2.gz GUXYUJBWTULDAE-UHFFFAOYSA-N 0 0 424.595 5.268 50 0 HKAARN COc1ccc(-c2nc(CSc3nnc(C)n4c5cc(C)oc5cc34)c(C)o2)cc1 ZINC000009442859 571259371 /nfs/dbraw/zinc/25/93/71/571259371.db2.gz DSEFHTUHYBXZKL-UHFFFAOYSA-N 0 0 420.494 5.357 50 0 HKAARN Cc1cc2c(cc3c(SCc4nc(-c5ccccc5Cl)oc4C)nnc(C)n23)o1 ZINC000009442900 571259292 /nfs/dbraw/zinc/25/92/92/571259292.db2.gz AALPHLLFUBMJAI-UHFFFAOYSA-N 0 0 424.913 6.001 50 0 HKAARN Cc1cc2c(cc3c(SCc4nc(-c5ccc(Cl)cc5)oc4C)nnc(C)n23)o1 ZINC000009442939 571259344 /nfs/dbraw/zinc/25/93/44/571259344.db2.gz VLSMOXJHULAQKT-UHFFFAOYSA-N 0 0 424.913 6.001 50 0 HKAARN Cc1cc2c(cc3c(SCc4nc(-c5cccc(Cl)c5)oc4C)nnc(C)n23)o1 ZINC000009442958 571259354 /nfs/dbraw/zinc/25/93/54/571259354.db2.gz YJEBLUZVTWWMGY-UHFFFAOYSA-N 0 0 424.913 6.001 50 0 HKAARN CCc1nnc(SCc2nc(-c3ccc(OC)cc3)oc2C)c2cc3occc3n21 ZINC000009442967 571259412 /nfs/dbraw/zinc/25/94/12/571259412.db2.gz XMDLGJVYNHGNLJ-UHFFFAOYSA-N 0 0 420.494 5.302 50 0 HKAARN CCc1nnc(SCc2nc(-c3ccccc3Cl)oc2C)c2cc3occc3n21 ZINC000009442979 571259459 /nfs/dbraw/zinc/25/94/59/571259459.db2.gz UJNIVEXLMKXZCX-UHFFFAOYSA-N 0 0 424.913 5.947 50 0 HKAARN CCc1nnc(SCc2nc(-c3cccc(Cl)c3)oc2C)c2cc3occc3n21 ZINC000009442988 571259497 /nfs/dbraw/zinc/25/94/97/571259497.db2.gz WGGQVWASHLGSMP-UHFFFAOYSA-N 0 0 424.913 5.947 50 0 HKAARN CCc1nnc(SCc2nc(-c3ccccc3F)oc2C)c2cc3oc(C)cc3n21 ZINC000009443023 571259454 /nfs/dbraw/zinc/25/94/54/571259454.db2.gz OFKOBSWCUZDRNQ-UHFFFAOYSA-N 0 0 422.485 5.741 50 0 HKAARN COc1ccc(C2=NN(C(=O)CSCc3ccco3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009444078 571259474 /nfs/dbraw/zinc/25/94/74/571259474.db2.gz 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ZINC000009446162 571259449 /nfs/dbraw/zinc/25/94/49/571259449.db2.gz AQXTVIQPIMOQJY-UHFFFAOYSA-N 0 0 422.344 5.207 50 0 HKAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 ZINC000009446182 571259452 /nfs/dbraw/zinc/25/94/52/571259452.db2.gz VMPUHDXNUAWUPN-AWEZNQCLSA-N 0 0 421.501 5.246 50 0 HKAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 ZINC000009446183 571259403 /nfs/dbraw/zinc/25/94/03/571259403.db2.gz VMPUHDXNUAWUPN-CQSZACIVSA-N 0 0 421.501 5.246 50 0 HKAARN COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000009446221 571259537 /nfs/dbraw/zinc/25/95/37/571259537.db2.gz YATCMDFVJGMNEY-UHFFFAOYSA-N 0 0 420.559 6.165 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(C(F)(F)F)c1 ZINC000009446301 571259630 /nfs/dbraw/zinc/25/96/30/571259630.db2.gz NOGMABVPSNJFDC-UHFFFAOYSA-N 0 0 417.239 6.388 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009446352 571259540 /nfs/dbraw/zinc/25/95/40/571259540.db2.gz ULUHPDJYBKZSDK-UHFFFAOYSA-N 0 0 419.893 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Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1Cc1cccc(Cl)c1 ZINC000009448860 571259831 /nfs/dbraw/zinc/25/98/31/571259831.db2.gz DSXHRPNRRFOXDJ-UHFFFAOYSA-N 0 0 424.895 5.412 50 0 HKAARN CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)c3ccc(Cl)cc3)c2CO1 ZINC000009448891 571259802 /nfs/dbraw/zinc/25/98/02/571259802.db2.gz ONLIDVDAIAQHIS-UHFFFAOYSA-N 0 0 424.953 5.623 50 0 HKAARN CCc1sc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1C ZINC000009448892 571259844 /nfs/dbraw/zinc/25/98/44/571259844.db2.gz KRBJCZNUAQAKPJ-UHFFFAOYSA-N 0 0 424.595 5.658 50 0 HKAARN Cc1cc(NC(=O)[C@H](SCCCOc2ccc(F)cc2)c2ccccc2)no1 ZINC000009449192 571259884 /nfs/dbraw/zinc/25/98/84/571259884.db2.gz CMDKYQAABIFXGD-HXUWFJFHSA-N 0 0 400.475 5.004 50 0 HKAARN Cc1cc(NC(=O)[C@@H](SCCCOc2ccc(F)cc2)c2ccccc2)no1 ZINC000009449196 571259882 /nfs/dbraw/zinc/25/98/82/571259882.db2.gz CMDKYQAABIFXGD-FQEVSTJZSA-N 0 0 400.475 5.004 50 0 HKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1cnc(Cl)c(Cl)c1 ZINC000009449207 571259875 /nfs/dbraw/zinc/25/98/75/571259875.db2.gz 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C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2ccnc2)cc1 ZINC000009477313 571261749 /nfs/dbraw/zinc/26/17/49/571261749.db2.gz QVYGMYXLXRXMPI-KRWDZBQOSA-N 0 0 403.457 5.081 50 0 HKAARN C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2ccnc2)cc1 ZINC000009477315 571261735 /nfs/dbraw/zinc/26/17/35/571261735.db2.gz QVYGMYXLXRXMPI-QGZVFWFLSA-N 0 0 403.457 5.081 50 0 HKAARN Fc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 ZINC000009477378 571261746 /nfs/dbraw/zinc/26/17/46/571261746.db2.gz SQTIQRRMIBZPCI-UHFFFAOYSA-N 0 0 422.554 5.759 50 0 HKAARN CCCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1OCCC ZINC000009477918 571261917 /nfs/dbraw/zinc/26/19/17/571261917.db2.gz VJFVXFODYIFPOF-UHFFFAOYSA-N 0 0 422.319 5.288 50 0 HKAARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009478108 571261905 /nfs/dbraw/zinc/26/19/05/571261905.db2.gz MBTJJCMPNGPVRK-HNNXBMFYSA-N 0 0 421.547 5.390 50 0 HKAARN O=c1nc(CSc2nnc(C3CCCCC3)o2)[nH]c2scc(-c3ccccc3)c21 ZINC000009478111 571261890 /nfs/dbraw/zinc/26/18/90/571261890.db2.gz 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/nfs/dbraw/zinc/27/29/87/571272987.db2.gz CDASLBADRAHHRV-UHFFFAOYSA-N 0 0 421.456 5.721 50 0 HKAARN COc1ccc(-n2c3cc4c(cc3nc2-c2ccc(Br)cc2)OCO4)cc1 ZINC000009600778 571272913 /nfs/dbraw/zinc/27/29/13/571272913.db2.gz MWCJBLBXVFKBSO-UHFFFAOYSA-N 0 0 423.266 5.192 50 0 HKAARN CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2c1cc(O)c1ccccc21 ZINC000009601056 571272968 /nfs/dbraw/zinc/27/29/68/571272968.db2.gz ZZVGFQCCFKNXAH-UHFFFAOYSA-N 0 0 424.294 5.737 50 0 biogenic HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(I)cc1 ZINC000009601252 571272951 /nfs/dbraw/zinc/27/29/51/571272951.db2.gz JFKCLZMVFBUJSB-KRXBUXKQSA-N 0 0 418.061 5.250 50 0 HKAARN Cn1c(Cc2cccc3ccccc32)nnc1SCc1ccc(Br)cc1 ZINC000009601541 571273007 /nfs/dbraw/zinc/27/30/07/571273007.db2.gz CFAJVUFXPVMSHK-UHFFFAOYSA-N 0 0 424.367 5.614 50 0 HKAARN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3ccccc34)[nH]2)cc1 ZINC000009601561 571272990 /nfs/dbraw/zinc/27/29/90/571272990.db2.gz WMYYJQHRIUZCKF-UHFFFAOYSA-N 0 0 418.521 7.484 50 0 HKAARN Fc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc3c(c2)sc2ccccc23)[nH]1 ZINC000009601564 571273003 /nfs/dbraw/zinc/27/30/03/571273003.db2.gz NUADQZWXCJPIKO-UHFFFAOYSA-N 0 0 420.512 7.918 50 0 HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2cccs2)Nc2ccccc2-3)cc1 ZINC000009601852 557846790 /nfs/dbraw/zinc/84/67/90/557846790.db2.gz SDXQUUWBCCYYIA-FQEVSTJZSA-N 0 0 418.547 5.704 50 0 HKAARN Cc1ccc(CSc2nnc3c(n2)O[C@H](c2cccs2)Nc2ccccc2-3)cc1 ZINC000009601853 557846874 /nfs/dbraw/zinc/84/68/74/557846874.db2.gz SDXQUUWBCCYYIA-HXUWFJFHSA-N 0 0 418.547 5.704 50 0 HKAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccco1 ZINC000009602900 571273049 /nfs/dbraw/zinc/27/30/49/571273049.db2.gz YKEQYWPNDGCAJR-INIZCTEOSA-N 0 0 403.507 5.306 50 0 HKAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccco1 ZINC000009602906 571273081 /nfs/dbraw/zinc/27/30/81/571273081.db2.gz YKEQYWPNDGCAJR-MRXNPFEDSA-N 0 0 403.507 5.306 50 0 HKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1 ZINC000009603653 571273025 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CCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606832 557846802 /nfs/dbraw/zinc/84/68/02/557846802.db2.gz BLVRWJMGZYPRSB-UHFFFAOYSA-N 0 0 421.747 5.893 50 0 HKAARN CCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009606839 557846769 /nfs/dbraw/zinc/84/67/69/557846769.db2.gz NOCZDHRMHNTZBL-UHFFFAOYSA-N 0 0 417.328 5.248 50 0 HKAARN CCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607031 557846886 /nfs/dbraw/zinc/84/68/86/557846886.db2.gz RHEANWBWRQYMMC-UHFFFAOYSA-N 0 0 420.307 5.770 50 0 HKAARN CCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000009607105 571273262 /nfs/dbraw/zinc/27/32/62/571273262.db2.gz HYHIWMKBKXBWCF-UHFFFAOYSA-N 0 0 417.328 5.248 50 0 HKAARN Cc1cc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)ccc1Cl ZINC000009607190 571273284 /nfs/dbraw/zinc/27/32/84/571273284.db2.gz YDUNLXKBVZCNGJ-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1cc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)ccc1Cl ZINC000009607193 571273269 /nfs/dbraw/zinc/27/32/69/571273269.db2.gz 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CCOc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000009607399 571273294 /nfs/dbraw/zinc/27/32/94/571273294.db2.gz JPPXHMGZFFVUGA-UHFFFAOYSA-N 0 0 421.497 5.580 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)NC1CCCCC1 ZINC000009607486 557846783 /nfs/dbraw/zinc/84/67/83/557846783.db2.gz ISBMNIMZUILTFL-IBGZPJMESA-N 0 0 410.905 5.111 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)NC1CCCCC1 ZINC000009607488 557846846 /nfs/dbraw/zinc/84/68/46/557846846.db2.gz ISBMNIMZUILTFL-LJQANCHMSA-N 0 0 410.905 5.111 50 0 HKAARN O=C(c1cccnc1Sc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009607489 571273327 /nfs/dbraw/zinc/27/33/27/571273327.db2.gz VFTHJMZMCYWPNF-UHFFFAOYSA-N 0 0 415.518 5.394 50 0 HKAARN O=C(Nc1ccccc1)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000009607529 557846857 /nfs/dbraw/zinc/84/68/57/557846857.db2.gz CLVYGPQIWLTIND-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1ccccc1)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000009607530 557846869 /nfs/dbraw/zinc/84/68/69/557846869.db2.gz CLVYGPQIWLTIND-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009607531 557846841 /nfs/dbraw/zinc/84/68/41/557846841.db2.gz FWANWRZHIQUBMK-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009607534 557846872 /nfs/dbraw/zinc/84/68/72/557846872.db2.gz FWANWRZHIQUBMK-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(C(=O)Nc2noc(-c3ccc(C)cc3)c2-c2ccc(Cl)cc2)cc1 ZINC000009607547 571273265 /nfs/dbraw/zinc/27/32/65/571273265.db2.gz RPTADMAPVAIMBU-UHFFFAOYSA-N 0 0 402.881 6.531 50 0 HKAARN CCOc1ccc(CNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1OC ZINC000009607568 571273282 /nfs/dbraw/zinc/27/32/82/571273282.db2.gz KMXJLWYQACPWFF-UHFFFAOYSA-N 0 0 416.477 5.141 50 0 HKAARN Cc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1C ZINC000009607584 571273281 /nfs/dbraw/zinc/27/32/81/571273281.db2.gz FMBJDSPSXXFSGN-UHFFFAOYSA-N 0 0 405.498 5.798 50 0 HKAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000009607595 571273261 /nfs/dbraw/zinc/27/32/61/571273261.db2.gz UEUANWNDERQUCQ-UHFFFAOYSA-N 0 0 407.470 5.190 50 0 HKAARN COc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000009607673 571273310 /nfs/dbraw/zinc/27/33/10/571273310.db2.gz NFIVXZHATXIRSY-UHFFFAOYSA-N 0 0 407.470 5.190 50 0 HKAARN CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000009607778 571273283 /nfs/dbraw/zinc/27/32/83/571273283.db2.gz ULCZYWYTIDVCBH-UHFFFAOYSA-N 0 0 410.901 5.048 50 0 HKAARN Cc1cc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)on1 ZINC000009608315 571273429 /nfs/dbraw/zinc/27/34/29/571273429.db2.gz ASGYOOCUVYDXIR-UHFFFAOYSA-N 0 0 412.902 5.088 50 0 HKAARN Cc1nc(COc2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)cc2)cs1 ZINC000009608877 571273401 /nfs/dbraw/zinc/27/34/01/571273401.db2.gz BZLMSAADHHLSSJ-UHFFFAOYSA-N 0 0 421.547 5.715 50 0 HKAARN Cc1ccccc1N(C(=O)Cc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000009609033 571273378 /nfs/dbraw/zinc/27/33/78/571273378.db2.gz 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COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc3ccccc3o1)CC2 ZINC000009645471 571276340 /nfs/dbraw/zinc/27/63/40/571276340.db2.gz RLBXZZRVBDXHRA-RUZDIDTESA-N 0 0 413.473 5.238 50 0 HKAARN Fc1ccc([C@@H](Nc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645528 571276287 /nfs/dbraw/zinc/27/62/87/571276287.db2.gz VZYBIDIZJWTOEM-HXUWFJFHSA-N 0 0 423.831 5.459 50 0 HKAARN Fc1ccc([C@H](Nc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645532 571276243 /nfs/dbraw/zinc/27/62/43/571276243.db2.gz VZYBIDIZJWTOEM-FQEVSTJZSA-N 0 0 423.831 5.459 50 0 HKAARN Fc1ccc([C@@H](Nc2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645548 571276302 /nfs/dbraw/zinc/27/63/02/571276302.db2.gz BCLUHHZNWNUFRZ-LJQANCHMSA-N 0 0 414.267 6.384 50 0 HKAARN Fc1ccc([C@H](Nc2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000009645551 571276281 /nfs/dbraw/zinc/27/62/81/571276281.db2.gz BCLUHHZNWNUFRZ-IBGZPJMESA-N 0 0 414.267 6.384 50 0 HKAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCCc3ccccc32)c(Cl)c1 ZINC000009645554 132342118 /nfs/dbraw/zinc/34/21/18/132342118.db2.gz MPJDIKKQPJPEEC-JOCHJYFZSA-N 0 0 419.887 6.071 50 0 HKAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCCc3ccccc32)c(Cl)c1 ZINC000009645556 132342068 /nfs/dbraw/zinc/34/20/68/132342068.db2.gz MPJDIKKQPJPEEC-QFIPXVFZSA-N 0 0 419.887 6.071 50 0 HKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000009645586 571276266 /nfs/dbraw/zinc/27/62/66/571276266.db2.gz WLTMVLYVPUQXFD-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000009645588 571276324 /nfs/dbraw/zinc/27/63/24/571276324.db2.gz WLTMVLYVPUQXFD-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN Fc1ccccc1[C@@H](Nc1ccccc1Br)c1nnc(-c2ccccc2)o1 ZINC000009645601 571276305 /nfs/dbraw/zinc/27/63/05/571276305.db2.gz VAIQGTAPJAGWKS-LJQANCHMSA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccccc1[C@H](Nc1ccccc1Br)c1nnc(-c2ccccc2)o1 ZINC000009645602 571276282 /nfs/dbraw/zinc/27/62/82/571276282.db2.gz VAIQGTAPJAGWKS-IBGZPJMESA-N 0 0 424.273 5.840 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC ZINC000009645674 571276254 /nfs/dbraw/zinc/27/62/54/571276254.db2.gz MNTDXTVOVLJQJL-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1OC ZINC000009645677 571276337 /nfs/dbraw/zinc/27/63/37/571276337.db2.gz MNTDXTVOVLJQJL-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc(OC)c1 ZINC000009645681 571276261 /nfs/dbraw/zinc/27/62/61/571276261.db2.gz NIFMMLMUVQHUAA-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc(OC)c1 ZINC000009645682 571276248 /nfs/dbraw/zinc/27/62/48/571276248.db2.gz NIFMMLMUVQHUAA-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(Cl)cc1 ZINC000009645849 571276246 /nfs/dbraw/zinc/27/62/46/571276246.db2.gz AETMRACUWRAKPU-UHFFFAOYSA-N 0 0 418.309 5.131 50 0 HKAARN COc1ccc(-c2nnc(SCCC(C)=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000009646601 571276599 /nfs/dbraw/zinc/27/65/99/571276599.db2.gz NXMAUPAOOROYBX-UHFFFAOYSA-N 0 0 421.444 5.033 50 0 HKAARN COc1ccc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1Cl ZINC000009646882 571276586 /nfs/dbraw/zinc/27/65/86/571276586.db2.gz XODFUARRZZZZSR-QFIPXVFZSA-N 0 0 421.884 5.590 50 0 HKAARN COc1ccc(NC(=O)[C@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1Cl ZINC000009646885 571276535 /nfs/dbraw/zinc/27/65/35/571276535.db2.gz XODFUARRZZZZSR-JOCHJYFZSA-N 0 0 421.884 5.590 50 0 HKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000009647132 571276593 /nfs/dbraw/zinc/27/65/93/571276593.db2.gz OPZWCDIIHZKXNX-NWDGAFQWSA-N 0 0 423.435 5.146 50 0 HKAARN C[C@@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 ZINC000009647135 571276519 /nfs/dbraw/zinc/27/65/19/571276519.db2.gz OPZWCDIIHZKXNX-VXGBXAGGSA-N 0 0 423.435 5.146 50 0 HKAARN C[C@H](NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 ZINC000009647137 571276611 /nfs/dbraw/zinc/27/66/11/571276611.db2.gz OPZWCDIIHZKXNX-RYUDHWBXSA-N 0 0 423.435 5.146 50 0 HKAARN C[C@@H](NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 ZINC000009647140 571276513 /nfs/dbraw/zinc/27/65/13/571276513.db2.gz OPZWCDIIHZKXNX-NEPJUHHUSA-N 0 0 423.435 5.146 50 0 HKAARN CC1CCN(c2ccc(NCc3nc(=O)c4c(-c5ccco5)csc4[nH]3)cc2)CC1 ZINC000009647911 132342131 /nfs/dbraw/zinc/34/21/31/132342131.db2.gz WZNFARSJJWKWPG-UHFFFAOYSA-N 0 0 420.538 5.093 50 0 HKAARN c1nn(-c2ccccc2)c2nc(NCCc3ccccc3)nc(Nc3ccccc3)c12 ZINC000009648241 571276670 /nfs/dbraw/zinc/27/66/70/571276670.db2.gz LGWWXGFALPANQX-UHFFFAOYSA-N 0 0 406.493 5.214 50 0 HKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000009656983 571276832 /nfs/dbraw/zinc/27/68/32/571276832.db2.gz VWKFSMGQWWPPKN-UHFFFAOYSA-N 0 0 415.396 5.736 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4c(F)cccc4F)cc3)c2O1 ZINC000009659779 571277025 /nfs/dbraw/zinc/27/70/25/571277025.db2.gz JCEKESGVISOVOU-UHFFFAOYSA-N 0 0 423.459 5.187 50 0 HKAARN Cc1c2cc(NC(=O)c3ccc(C)cc3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659872 571276983 /nfs/dbraw/zinc/27/69/83/571276983.db2.gz IKCQMIBRHGQDNB-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2cc(NC(=O)c3ccccc3C)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659873 571277027 /nfs/dbraw/zinc/27/70/27/571277027.db2.gz XYTHXUNWGCUCQQ-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2cc(NC(=O)c3ccc(F)cc3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659875 571276997 /nfs/dbraw/zinc/27/69/97/571276997.db2.gz YEEXAOJVZZBDOJ-UHFFFAOYSA-N 0 0 407.828 6.017 50 0 HKAARN Cc1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2oc1C(=O)c1ccccc1 ZINC000009659877 571277015 /nfs/dbraw/zinc/27/70/15/571277015.db2.gz LGDIALPMUNQYMS-UHFFFAOYSA-N 0 0 411.501 6.522 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1 ZINC000009659880 571276950 /nfs/dbraw/zinc/27/69/50/571276950.db2.gz UVPGGKVFSZQOOV-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(C)c2c1 ZINC000009659881 571276989 /nfs/dbraw/zinc/27/69/89/571276989.db2.gz PHYFDIKTUCQTQS-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN Cc1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659882 571276999 /nfs/dbraw/zinc/27/69/99/571276999.db2.gz JGOANCKLLVMBIL-UHFFFAOYSA-N 0 0 424.283 6.531 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccc(C)cc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659922 571277099 /nfs/dbraw/zinc/27/70/99/571277099.db2.gz ASQSFLUMSKFVFK-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccccc3C)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659923 571277060 /nfs/dbraw/zinc/27/70/60/571277060.db2.gz PATFZIZTHRNBNB-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2ccc(NC(=O)Nc3ccccc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659924 571277105 /nfs/dbraw/zinc/27/71/05/571277105.db2.gz RYVUQPHYLCEXOZ-UHFFFAOYSA-N 0 0 404.853 6.270 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccc(F)cc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659926 571277098 /nfs/dbraw/zinc/27/70/98/571277098.db2.gz ISVPILJMZPUDHG-UHFFFAOYSA-N 0 0 407.828 6.017 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccccc3F)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659927 571277082 /nfs/dbraw/zinc/27/70/82/571277082.db2.gz NWTCVJCEHPBBKN-UHFFFAOYSA-N 0 0 407.828 6.017 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1C(=O)c1ccccc1 ZINC000009659929 571277112 /nfs/dbraw/zinc/27/71/12/571277112.db2.gz LVGOSNNYNMCELD-UHFFFAOYSA-N 0 0 411.501 6.522 50 0 HKAARN COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)c1 ZINC000009659932 571277069 /nfs/dbraw/zinc/27/70/69/571277069.db2.gz XXDWYXNFDGJPMA-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccccc3Cl)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659934 571277090 /nfs/dbraw/zinc/27/70/90/571277090.db2.gz DRLHENPHHXFJGA-UHFFFAOYSA-N 0 0 424.283 6.531 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 ZINC000009660138 571277048 /nfs/dbraw/zinc/27/70/48/571277048.db2.gz ZBHZKRADBLRLRL-UHFFFAOYSA-N 0 0 400.434 5.503 50 0 HKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000009660151 571277046 /nfs/dbraw/zinc/27/70/46/571277046.db2.gz NXKGERYZXGTUAJ-UHFFFAOYSA-N 0 0 401.437 5.975 50 0 HKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000009660152 571277051 /nfs/dbraw/zinc/27/70/51/571277051.db2.gz LSDIOGAKNUMVHO-UHFFFAOYSA-N 0 0 401.437 5.975 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000009660154 571277054 /nfs/dbraw/zinc/27/70/54/571277054.db2.gz HHHHMTRDFCUJBJ-UHFFFAOYSA-N 0 0 403.409 5.250 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000009660155 571277074 /nfs/dbraw/zinc/27/70/74/571277074.db2.gz HQPBCLSZJQZJBG-UHFFFAOYSA-N 0 0 403.409 5.250 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000009660157 571277071 /nfs/dbraw/zinc/27/70/71/571277071.db2.gz AVPRRQRLWSLIPX-UHFFFAOYSA-N 0 0 403.503 6.071 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)cc1 ZINC000009660158 571277111 /nfs/dbraw/zinc/27/71/11/571277111.db2.gz JLJINGHEDGISPC-UHFFFAOYSA-N 0 0 403.522 6.276 50 0 HKAARN Cc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009660159 571277118 /nfs/dbraw/zinc/27/71/18/571277118.db2.gz VYDAKIIKFKQCNL-UHFFFAOYSA-N 0 0 404.853 6.066 50 0 HKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009660162 571277115 /nfs/dbraw/zinc/27/71/15/571277115.db2.gz XBKGTLHNTKDLKR-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 biogenic HKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009660163 571277093 /nfs/dbraw/zinc/27/70/93/571277093.db2.gz OAIITGRDUUEHMM-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000009660165 571277052 /nfs/dbraw/zinc/27/70/52/571277052.db2.gz JHYLIIZVGQMBHS-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 biogenic HKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2o1 ZINC000009660166 571277056 /nfs/dbraw/zinc/27/70/56/571277056.db2.gz ATKURAQDOSWVRQ-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 biogenic HKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 ZINC000009660168 571277076 /nfs/dbraw/zinc/27/70/76/571277076.db2.gz BPFFYTDQKMNTRB-UHFFFAOYSA-N 0 0 408.816 5.897 50 0 HKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 ZINC000009660169 571277114 /nfs/dbraw/zinc/27/71/14/571277114.db2.gz PLRXKQRRBKZMMJ-OVCLIPMQSA-N 0 0 409.485 6.235 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)cc1 ZINC000009660171 571277081 /nfs/dbraw/zinc/27/70/81/571277081.db2.gz HVSQCFOOKKTTLS-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 ZINC000009660172 571277053 /nfs/dbraw/zinc/27/70/53/571277053.db2.gz ZSKIRGAYPQSECP-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000009660173 571277055 /nfs/dbraw/zinc/27/70/55/571277055.db2.gz GXBDYZXOAALJAO-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1 ZINC000009660174 571277109 /nfs/dbraw/zinc/27/71/09/571277109.db2.gz FMBSIJBLEMROEP-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000009660175 571277089 /nfs/dbraw/zinc/27/70/89/571277089.db2.gz MHLDNAQWYLHNFL-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 ZINC000009660177 571277107 /nfs/dbraw/zinc/27/71/07/571277107.db2.gz BQBOBLUKDQUZHJ-UHFFFAOYSA-N 0 0 412.489 6.402 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)cc1 ZINC000009660178 571277079 /nfs/dbraw/zinc/27/70/79/571277079.db2.gz RSQFGNSIGBTHDK-UHFFFAOYSA-N 0 0 413.473 5.844 50 0 biogenic HKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000009660180 571277062 /nfs/dbraw/zinc/27/70/62/571277062.db2.gz XDEAKLDMWOAVAK-UHFFFAOYSA-N 0 0 413.473 5.844 50 0 biogenic HKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)c1 ZINC000009660181 571277095 /nfs/dbraw/zinc/27/70/95/571277095.db2.gz HINDESXVTQQNRB-UHFFFAOYSA-N 0 0 413.473 5.844 50 0 biogenic HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(OC)cc4)ccc3o2)cc1 ZINC000009660182 571277057 /nfs/dbraw/zinc/27/70/57/571277057.db2.gz JMVKFFAIAADIEF-UHFFFAOYSA-N 0 0 415.445 5.120 50 0 biogenic HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1 ZINC000009660184 571277087 /nfs/dbraw/zinc/27/70/87/571277087.db2.gz WCEXFUGEEKZSLF-UHFFFAOYSA-N 0 0 415.445 5.120 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)cc(=O)c3c2)cc1OC ZINC000009660185 571277084 /nfs/dbraw/zinc/27/70/84/571277084.db2.gz GMNZFJXMWPYBTL-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc1OC ZINC000009660186 571277047 /nfs/dbraw/zinc/27/70/47/571277047.db2.gz CGDIYGNMLNYZSX-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 biogenic HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc1OC ZINC000009660188 571277085 /nfs/dbraw/zinc/27/70/85/571277085.db2.gz BRTDXOXGGRALGI-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 biogenic HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)c1 ZINC000009660190 571277092 /nfs/dbraw/zinc/27/70/92/571277092.db2.gz BZBRPFFXNKHBMH-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 biogenic HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)c1 ZINC000009660191 571277116 /nfs/dbraw/zinc/27/71/16/571277116.db2.gz PFTZPGVIABDQFB-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 biogenic HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 ZINC000009660192 571277061 /nfs/dbraw/zinc/27/70/61/571277061.db2.gz KSJHJCRYGNWEMS-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000009660193 571277211 /nfs/dbraw/zinc/27/72/11/571277211.db2.gz PRWPHRKQHDENHS-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 ZINC000009660194 571277177 /nfs/dbraw/zinc/27/71/77/571277177.db2.gz AZTBSTWTWIOZMD-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000009660195 571277189 /nfs/dbraw/zinc/27/71/89/571277189.db2.gz UZOJUIYRAFMIGM-UHFFFAOYSA-N 0 0 417.892 6.489 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000009660202 571277195 /nfs/dbraw/zinc/27/71/95/571277195.db2.gz MOKCMVFVTZIIBI-UHFFFAOYSA-N 0 0 419.864 5.764 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(Br)cc1 ZINC000009660203 571277180 /nfs/dbraw/zinc/27/71/80/571277180.db2.gz PUIAFIVGOPBDAF-UHFFFAOYSA-N 0 0 420.262 5.475 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1Br ZINC000009660205 571277207 /nfs/dbraw/zinc/27/72/07/571277207.db2.gz XOXYHSIFTIIYEM-UHFFFAOYSA-N 0 0 420.262 5.475 50 0 HKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2o1 ZINC000009660207 571277181 /nfs/dbraw/zinc/27/71/81/571277181.db2.gz HGYHOTOBWLBVML-UHFFFAOYSA-N 0 0 420.852 5.766 50 0 biogenic HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 ZINC000009660209 571277218 /nfs/dbraw/zinc/27/72/18/571277218.db2.gz OIJMZJATMFPWBN-CXUHLZMHSA-N 0 0 423.512 6.409 50 0 HKAARN CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2o1 ZINC000009660301 571277170 /nfs/dbraw/zinc/27/71/70/571277170.db2.gz KRBXFRLNXRSIPM-UHFFFAOYSA-N 0 0 403.409 5.250 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4F)cc3o2)cc1 ZINC000009660303 571277193 /nfs/dbraw/zinc/27/71/93/571277193.db2.gz DBFGTHFREYGZEI-UHFFFAOYSA-N 0 0 403.409 5.250 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)C4CCCCC4)cc3o2)cc1 ZINC000009660304 571277221 /nfs/dbraw/zinc/27/72/21/571277221.db2.gz FYJDPXVLYWXSCK-UHFFFAOYSA-N 0 0 403.522 6.276 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 ZINC000009660305 571277183 /nfs/dbraw/zinc/27/71/83/571277183.db2.gz HMYNBWQCHYECBF-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000009660306 571277175 /nfs/dbraw/zinc/27/71/75/571277175.db2.gz FLRDJLCKTIGSQB-UHFFFAOYSA-N 0 0 411.501 6.318 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3o2)cc1 ZINC000009660307 571277222 /nfs/dbraw/zinc/27/72/22/571277222.db2.gz QZJIIVGHASQHNY-UHFFFAOYSA-N 0 0 415.445 5.120 50 0 biogenic HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3o2)cc1 ZINC000009660308 571277213 /nfs/dbraw/zinc/27/72/13/571277213.db2.gz WYNJKYFRDZOCCE-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4F)cc3o2)cc1 ZINC000009660309 571277214 /nfs/dbraw/zinc/27/72/14/571277214.db2.gz XSDZSWXVXZWXEQ-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000009661796 571277756 /nfs/dbraw/zinc/27/77/56/571277756.db2.gz RSONDXHBCQUTLZ-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1sc2cc(Cl)ccc2c1Cl ZINC000009662848 571277727 /nfs/dbraw/zinc/27/77/27/571277727.db2.gz AFOOIXQNLACQAE-UHFFFAOYSA-N 0 0 410.713 5.439 50 0 HKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)s2)cc1 ZINC000009663281 571277864 /nfs/dbraw/zinc/27/78/64/571277864.db2.gz MGHXCBRMULUPBB-UHFFFAOYSA-N 0 0 422.506 5.421 50 0 HKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1c(Cl)cccc1Cl ZINC000009663309 571277842 /nfs/dbraw/zinc/27/78/42/571277842.db2.gz PHHKQOTXGGAUIL-UHFFFAOYSA-N 0 0 414.697 5.657 50 0 HKAARN CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(C)cc2)n1 ZINC000009663547 571277817 /nfs/dbraw/zinc/27/78/17/571277817.db2.gz JZZLESNYICSKRW-UHFFFAOYSA-N 0 0 406.580 5.613 50 0 HKAARN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F ZINC000009663601 571277843 /nfs/dbraw/zinc/27/78/43/571277843.db2.gz QICLIDMZIWZDLU-UHFFFAOYSA-N 0 0 419.424 5.133 50 0 HKAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000009663911 132342174 /nfs/dbraw/zinc/34/21/74/132342174.db2.gz DTFSDRUFGVCHTI-UHFFFAOYSA-N 0 0 418.518 5.282 50 0 HKAARN CCc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000009664098 132342182 /nfs/dbraw/zinc/34/21/82/132342182.db2.gz QWOMRQVZOIEHPD-UHFFFAOYSA-N 0 0 420.534 5.201 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2nnc(Cc3ccccc3)s2)s1 ZINC000009664424 571277949 /nfs/dbraw/zinc/27/79/49/571277949.db2.gz WCCVYNVYTGMAFD-UHFFFAOYSA-N 0 0 420.563 5.050 50 0 HKAARN Cc1ccc(C)c(CN2c3ccccc3S(=O)(=O)N(c3c(C)cccc3C)C2=O)c1 ZINC000009664602 132342355 /nfs/dbraw/zinc/34/23/55/132342355.db2.gz MXUWBRVHTGGPNW-UHFFFAOYSA-N 0 0 420.534 5.256 50 0 HKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1F ZINC000009664953 571277877 /nfs/dbraw/zinc/27/78/77/571277877.db2.gz IUNSHVJVUCUFQG-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009665265 571277911 /nfs/dbraw/zinc/27/79/11/571277911.db2.gz FKBGHEMLMAWFBT-JTQLQIEISA-N 0 0 420.214 5.125 50 0 HKAARN C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009665266 571277875 /nfs/dbraw/zinc/27/78/75/571277875.db2.gz FKBGHEMLMAWFBT-SNVBAGLBSA-N 0 0 420.214 5.125 50 0 HKAARN O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009665457 571278035 /nfs/dbraw/zinc/27/80/35/571278035.db2.gz ARZMIOZRIOEPDZ-UHFFFAOYSA-N 0 0 423.774 5.013 50 0 HKAARN COc1cccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 ZINC000009665640 571278007 /nfs/dbraw/zinc/27/80/07/571278007.db2.gz OIWALULNVJSXCS-UHFFFAOYSA-N 0 0 423.972 5.056 50 0 HKAARN CCOc1ccccc1Nc1nnc(SCc2nnc(-c3cccs3)o2)s1 ZINC000009665747 571277974 /nfs/dbraw/zinc/27/79/74/571277974.db2.gz DVPTZWQHTGMWJG-UHFFFAOYSA-N 0 0 417.541 5.084 50 0 HKAARN Cc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000009666231 571278045 /nfs/dbraw/zinc/27/80/45/571278045.db2.gz XETIBIBZEXKNQY-UHFFFAOYSA-N 0 0 420.925 5.266 50 0 HKAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc(Cl)cc1 ZINC000009666247 571277987 /nfs/dbraw/zinc/27/79/87/571277987.db2.gz LMIHCOXCXVNABS-UHFFFAOYSA-N 0 0 411.936 5.187 50 0 HKAARN COc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000009666250 571278026 /nfs/dbraw/zinc/27/80/26/571278026.db2.gz VUQYVDPKHYDNTH-UHFFFAOYSA-N 0 0 423.972 5.056 50 0 HKAARN COc1ccc(C)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000009666269 571278059 /nfs/dbraw/zinc/27/80/59/571278059.db2.gz SMBAYJFFIJVYQS-UHFFFAOYSA-N 0 0 424.305 5.321 50 0 HKAARN Cc1nc(CSc2nnc(-c3cc(-c4cccs4)nc4ccccc43)o2)cs1 ZINC000009666285 571278032 /nfs/dbraw/zinc/27/80/32/571278032.db2.gz MZEIEECQIQMAQI-UHFFFAOYSA-N 0 0 422.560 6.071 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009666407 571278072 /nfs/dbraw/zinc/27/80/72/571278072.db2.gz XMGADIXNEYCAEH-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN COc1ccc(Cl)cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000009666853 571278200 /nfs/dbraw/zinc/27/82/00/571278200.db2.gz SWLMTOMYTZRCFE-UHFFFAOYSA-N 0 0 421.349 5.632 50 0 HKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000009667269 557847893 /nfs/dbraw/zinc/84/78/93/557847893.db2.gz SCVBZOUCTYWLIZ-UHFFFAOYSA-N 0 0 424.504 6.070 50 0 HKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c3ccccc3[nH]c2-c2ccccc2)o1 ZINC000009667298 571278143 /nfs/dbraw/zinc/27/81/43/571278143.db2.gz XFJKIBPNIVQSOQ-MHZLTWQESA-N 0 0 418.496 6.482 50 0 HKAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c3ccccc3[nH]c2-c2ccccc2)o1 ZINC000009667299 571278110 /nfs/dbraw/zinc/27/81/10/571278110.db2.gz XFJKIBPNIVQSOQ-HHHXNRCGSA-N 0 0 418.496 6.482 50 0 HKAARN O=C(/C=C/c1ccccc1)NCCc1nc2ccccc2n1CCC1CCCCC1 ZINC000009667617 571278198 /nfs/dbraw/zinc/27/81/98/571278198.db2.gz MKEUGBLRWADKEZ-FOCLMDBBSA-N 0 0 401.554 5.379 50 0 HKAARN Cc1cc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)c(C)[nH]2)c2ccccc2)no1 ZINC000009667850 557848026 /nfs/dbraw/zinc/84/80/26/557848026.db2.gz UGZBKZDKOVCDHW-FQEVSTJZSA-N 0 0 404.495 5.154 50 0 HKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 ZINC000009668080 557848052 /nfs/dbraw/zinc/84/80/52/557848052.db2.gz OFLSCTAQHZIQJY-UHFFFAOYSA-N 0 0 418.924 7.086 50 0 HKAARN CCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000009668106 571278243 /nfs/dbraw/zinc/27/82/43/571278243.db2.gz OIMJEAGAPMIHEI-UHFFFAOYSA-N 0 0 415.946 5.768 50 0 HKAARN O=C(CNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1cccs1 ZINC000009668223 571278285 /nfs/dbraw/zinc/27/82/85/571278285.db2.gz IZLHGFVNBKPXNZ-UHFFFAOYSA-N 0 0 413.804 5.293 50 0 HKAARN Cc1ccoc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 ZINC000009668224 571278217 /nfs/dbraw/zinc/27/82/17/571278217.db2.gz NAQSRLKFIGVDRL-UHFFFAOYSA-N 0 0 400.809 5.560 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1ccco1 ZINC000009668418 571278401 /nfs/dbraw/zinc/27/84/01/571278401.db2.gz DSDJYBCBXSCJSY-SANMLTNESA-N 0 0 422.459 6.312 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1ccco1 ZINC000009668419 571278329 /nfs/dbraw/zinc/27/83/29/571278329.db2.gz DSDJYBCBXSCJSY-AREMUKBSSA-N 0 0 422.459 6.312 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2Cc2ccco2)c1 ZINC000009668422 571278383 /nfs/dbraw/zinc/27/83/83/571278383.db2.gz MTVPMXLOYDTZNZ-VWLOTQADSA-N 0 0 412.489 5.856 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2Cc2ccco2)c1 ZINC000009668423 571278398 /nfs/dbraw/zinc/27/83/98/571278398.db2.gz MTVPMXLOYDTZNZ-RUZDIDTESA-N 0 0 412.489 5.856 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000009668724 557848036 /nfs/dbraw/zinc/84/80/36/557848036.db2.gz UONNCYWGLMGHJE-UHFFFAOYSA-N 0 0 421.305 5.568 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Cl)c4)c3n2)cc1 ZINC000009668762 557848090 /nfs/dbraw/zinc/84/80/90/557848090.db2.gz MWFQRGCOTJAMIZ-UHFFFAOYSA-N 0 0 403.791 5.744 50 0 HKAARN Cc1cc(NC(=O)[C@H](Sc2nc(-c3ccccc3)c(C)[nH]2)c2ccccc2)no1 ZINC000009668770 557848055 /nfs/dbraw/zinc/84/80/55/557848055.db2.gz UGZBKZDKOVCDHW-HXUWFJFHSA-N 0 0 404.495 5.154 50 0 HKAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc21 ZINC000009668882 571278345 /nfs/dbraw/zinc/27/83/45/571278345.db2.gz GRMMBZQLPTVPDP-DEOSSOPVSA-N 0 0 400.909 5.620 50 0 HKAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc21 ZINC000009668883 571278477 /nfs/dbraw/zinc/27/84/77/571278477.db2.gz GRMMBZQLPTVPDP-XMMPIXPASA-N 0 0 400.909 5.620 50 0 HKAARN Cc1nc(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n(CC(C)C)c1C ZINC000009669402 571278457 /nfs/dbraw/zinc/27/84/57/571278457.db2.gz GQLUPQUKDZDSNP-UHFFFAOYSA-N 0 0 424.595 5.413 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2cccc(OCC(C)C)c2)cs1)c1ccccc1 ZINC000009669481 571278464 /nfs/dbraw/zinc/27/84/64/571278464.db2.gz KDGYLZYHLRVYDN-UHFFFAOYSA-N 0 0 424.522 5.220 50 0 HKAARN O=C(COCc1nc2ccccc2s1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009669576 571278455 /nfs/dbraw/zinc/27/84/55/571278455.db2.gz LVJJJDFVIKSVGC-KRWDZBQOSA-N 0 0 423.563 5.176 50 0 HKAARN O=C(CCc1nc(-c2cccs2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669580 571278485 /nfs/dbraw/zinc/27/84/85/571278485.db2.gz OEJFPJLLGGWEPL-OAHLLOKOSA-N 0 0 424.551 5.094 50 0 HKAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009669694 571278414 /nfs/dbraw/zinc/27/84/14/571278414.db2.gz RHJZNWOZKQCXDH-UHFFFAOYSA-N 0 0 415.198 5.578 50 0 HKAARN Cc1c(Cl)c(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12 ZINC000009669768 571278487 /nfs/dbraw/zinc/27/84/87/571278487.db2.gz ZRUGIGUVLHDYMN-UHFFFAOYSA-N 0 0 422.743 5.574 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)c2)cs1 ZINC000009669851 571278460 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Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000009675993 571278972 /nfs/dbraw/zinc/27/89/72/571278972.db2.gz RTQPWLKIUNTSLN-UHFFFAOYSA-N 0 0 418.327 7.164 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1Cl ZINC000009675998 571278954 /nfs/dbraw/zinc/27/89/54/571278954.db2.gz HRHHMIBDIQXBAA-UHFFFAOYSA-N 0 0 423.825 6.620 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c3c2cnc2c(F)cccc32)cc1 ZINC000009676006 571278932 /nfs/dbraw/zinc/27/89/32/571278932.db2.gz OWEQIJMAPTUGRQ-UHFFFAOYSA-N 0 0 422.290 6.995 50 0 HKAARN Cc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3c2cnc2c(F)cccc32)cc1 ZINC000009676008 571278990 /nfs/dbraw/zinc/27/89/90/571278990.db2.gz WPMIYIWVHWSYID-UHFFFAOYSA-N 0 0 422.290 6.995 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c3c2cnc2ccccc32)cc1C ZINC000009676012 571278947 /nfs/dbraw/zinc/27/89/47/571278947.db2.gz KXLDOFSJBCHVDA-UHFFFAOYSA-N 0 0 418.327 7.164 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Cl)cc32)cc1C ZINC000009676014 571278964 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O=C(NCCn1cc(SCc2ccccc2F)c2ccccc21)c1ccccc1F ZINC000009775826 571284981 /nfs/dbraw/zinc/28/49/81/571284981.db2.gz BICDAQIPHYKKAI-UHFFFAOYSA-N 0 0 422.500 5.642 50 0 HKAARN O=C(NCCn1cc(SCc2cccc(F)c2)c2ccccc21)c1ccccc1F ZINC000009775827 571284989 /nfs/dbraw/zinc/28/49/89/571284989.db2.gz SDADBAYPYPIIKK-UHFFFAOYSA-N 0 0 422.500 5.642 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)NCc3ccc(F)cc3)c3ccccc32)cc1Cl ZINC000009776731 571285023 /nfs/dbraw/zinc/28/50/23/571285023.db2.gz VEWPSNUHBJJLBF-UHFFFAOYSA-N 0 0 419.887 6.009 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3ccc(F)cc3)cc1CC2 ZINC000009777179 571285021 /nfs/dbraw/zinc/28/50/21/571285021.db2.gz DETRNNAOJYXJFR-UHFFFAOYSA-N 0 0 403.482 5.399 50 0 HKAARN CCCCCOc1ccc(Oc2ncnc3sc(C(=O)OCC)c(C)c32)cc1 ZINC000009777183 571284997 /nfs/dbraw/zinc/28/49/97/571284997.db2.gz PFJZSPULRQQSDN-UHFFFAOYSA-N 0 0 400.500 5.538 50 0 HKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1F ZINC000009777546 571284987 /nfs/dbraw/zinc/28/49/87/571284987.db2.gz 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Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4ccccc4F)n3C3CC3)o2)c1 ZINC000009778869 571285167 /nfs/dbraw/zinc/28/51/67/571285167.db2.gz NKYOSGMBYFSPQR-AWEZNQCLSA-N 0 0 421.501 5.631 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000009779190 571285151 /nfs/dbraw/zinc/28/51/51/571285151.db2.gz MBOAYFWJJMOMQC-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000009779739 557849580 /nfs/dbraw/zinc/84/95/80/557849580.db2.gz XZXMARJWSOYIMJ-JTHBVZDNSA-N 0 0 419.322 6.000 50 0 HKAARN O=C(c1ccc(F)cc1)c1ccc(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000009779918 571285131 /nfs/dbraw/zinc/28/51/31/571285131.db2.gz HBDLNKKSIPFRLI-UHFFFAOYSA-N 0 0 422.434 6.473 50 0 HKAARN Fc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Sc3ccccc3)cc2)[nH]1 ZINC000009779925 571285126 /nfs/dbraw/zinc/28/51/26/571285126.db2.gz YTFOPIICVWKPAV-UHFFFAOYSA-N 0 0 422.528 7.701 50 0 HKAARN Fc1cccc(-c2nc(-c3ccccc3)c(-c3ccc4sc5ccccc5c4c3)[nH]2)c1 ZINC000009779928 571285177 /nfs/dbraw/zinc/28/51/77/571285177.db2.gz CTBQCWPWTAQGEY-UHFFFAOYSA-N 0 0 420.512 7.918 50 0 HKAARN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4sc5ccccc5c4c3)[nH]2)cc1 ZINC000009779931 571285138 /nfs/dbraw/zinc/28/51/38/571285138.db2.gz YSCADDCFEMGGPZ-UHFFFAOYSA-N 0 0 418.521 7.484 50 0 HKAARN Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc3sc4ccccc4c3c2)[nH]1 ZINC000009779934 571285175 /nfs/dbraw/zinc/28/51/75/571285175.db2.gz WSSDKSSVFISZBA-UHFFFAOYSA-N 0 0 418.521 7.484 50 0 HKAARN Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4ccccc4c3)n2)c(C)s1 ZINC000009780091 571285172 /nfs/dbraw/zinc/28/51/72/571285172.db2.gz ODIPPWWDQHLACD-UHFFFAOYSA-N 0 0 421.547 5.010 50 0 HKAARN CCc1ccc(-c2nc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)n[nH]2)cc1 ZINC000009780293 571285120 /nfs/dbraw/zinc/28/51/20/571285120.db2.gz VTFXYULLZAVNCK-HNNXBMFYSA-N 0 0 424.595 5.044 50 0 HKAARN CCc1ccc(-c2nc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)n[nH]2)cc1 ZINC000009780295 571285173 /nfs/dbraw/zinc/28/51/73/571285173.db2.gz VTFXYULLZAVNCK-OAHLLOKOSA-N 0 0 424.595 5.044 50 0 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/nfs/dbraw/zinc/28/54/01/571285401.db2.gz PXHHONCWEFVUMM-GFCCVEGCSA-N 0 0 403.598 5.458 50 0 HKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1C ZINC000009790782 571285618 /nfs/dbraw/zinc/28/56/18/571285618.db2.gz ITTYBCXHXRPLBH-CYBMUJFWSA-N 0 0 417.328 5.479 50 0 HKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1C ZINC000009790786 571285637 /nfs/dbraw/zinc/28/56/37/571285637.db2.gz ITTYBCXHXRPLBH-ZDUSSCGKSA-N 0 0 417.328 5.479 50 0 HKAARN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000009791845 571285631 /nfs/dbraw/zinc/28/56/31/571285631.db2.gz TZSOREWBSYZZCW-LJQANCHMSA-N 0 0 408.951 5.102 50 0 HKAARN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000009791849 571285566 /nfs/dbraw/zinc/28/55/66/571285566.db2.gz TZSOREWBSYZZCW-IBGZPJMESA-N 0 0 408.951 5.102 50 0 HKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000009793204 571285573 /nfs/dbraw/zinc/28/55/73/571285573.db2.gz UEYRTWRVJOMASO-UHFFFAOYSA-N 0 0 421.547 5.432 50 0 HKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Br ZINC000009795753 571285691 /nfs/dbraw/zinc/28/56/91/571285691.db2.gz KYSZJNRGAHLSIC-UHFFFAOYSA-N 0 0 423.026 5.483 50 0 HKAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)s2)c1 ZINC000009804334 571285857 /nfs/dbraw/zinc/28/58/57/571285857.db2.gz XSAXAMXFQRCRRL-AWEZNQCLSA-N 0 0 416.547 5.041 50 0 HKAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)s2)c1 ZINC000009804335 571285869 /nfs/dbraw/zinc/28/58/69/571285869.db2.gz XSAXAMXFQRCRRL-CQSZACIVSA-N 0 0 416.547 5.041 50 0 HKAARN Oc1ccc(Br)c(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c1 ZINC000009804771 557849900 /nfs/dbraw/zinc/84/99/00/557849900.db2.gz CKOKLGYJRJSQLC-UHFFFAOYSA-N 0 0 417.306 6.298 50 0 HKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000009805323 571285781 /nfs/dbraw/zinc/28/57/81/571285781.db2.gz JCEIWCCCFCVBOO-UHFFFAOYSA-N 0 0 418.345 6.658 50 0 HKAARN Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000009805387 571285809 /nfs/dbraw/zinc/28/58/09/571285809.db2.gz CBVLWJWKTFHJLG-UHFFFAOYSA-N 0 0 418.327 6.981 50 0 HKAARN Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000009805459 571285822 /nfs/dbraw/zinc/28/58/22/571285822.db2.gz VBVPKFCZZYCJSD-UHFFFAOYSA-N 0 0 421.125 6.076 50 0 HKAARN Brc1ccc(-c2nnc(COc3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000009805532 571285802 /nfs/dbraw/zinc/28/58/02/571285802.db2.gz BNVKUHKIVBYKPL-UHFFFAOYSA-N 0 0 423.335 6.214 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)CSCc1cccc(Cl)c1)CCCC2 ZINC000009805551 571285845 /nfs/dbraw/zinc/28/58/45/571285845.db2.gz JAZCTQHODAWMMO-UHFFFAOYSA-N 0 0 423.987 5.329 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1C ZINC000009805641 571285837 /nfs/dbraw/zinc/28/58/37/571285837.db2.gz VTBINVJDPRCGBI-UHFFFAOYSA-N 0 0 421.353 5.137 50 0 HKAARN Clc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000009805670 571285777 /nfs/dbraw/zinc/28/57/77/571285777.db2.gz LOIXRJYXGNRPOX-CABCVRRESA-N 0 0 424.129 5.494 50 0 HKAARN Clc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000009805671 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Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c1 ZINC000009972791 568415611 /nfs/dbraw/zinc/41/56/11/568415611.db2.gz LVUGLDBWWRDASM-LADGPHEKSA-N 0 0 423.541 5.124 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c1 ZINC000009972792 568415625 /nfs/dbraw/zinc/41/56/25/568415625.db2.gz LVUGLDBWWRDASM-ISKFKSNPSA-N 0 0 423.541 5.124 50 0 HKAARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000009983996 569394773 /nfs/dbraw/zinc/39/47/73/569394773.db2.gz QAKAUFZLSGKKQK-JXMROGBWSA-N 0 0 418.320 5.137 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000009984314 571293635 /nfs/dbraw/zinc/29/36/35/571293635.db2.gz QWONUBDRVSEINJ-UHFFFAOYSA-N 0 0 419.865 5.389 50 0 HKAARN O=C(CSc1nc2cccc3cccc([nH]1)c32)NCc1ccc(Cl)cc1Cl ZINC000009984403 571293639 /nfs/dbraw/zinc/29/36/39/571293639.db2.gz NWPQLKIZQQPZHL-UHFFFAOYSA-N 0 0 416.333 5.431 50 0 HKAARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000009984452 569039287 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571293985 /nfs/dbraw/zinc/29/39/85/571293985.db2.gz ZNKHTBCFWICNSZ-UHFFFAOYSA-N 0 0 415.927 5.013 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc3c(c2)OCCCO3)o1 ZINC000009995993 569252724 /nfs/dbraw/zinc/25/27/24/569252724.db2.gz AOSXPNIUOHAXMQ-UHFFFAOYSA-N 0 0 421.478 5.154 50 0 HKAARN Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000009996186 569252804 /nfs/dbraw/zinc/25/28/04/569252804.db2.gz GNXHYQRSDHOVTB-HNNXBMFYSA-N 0 0 421.566 5.108 50 0 HKAARN Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000009996187 569252769 /nfs/dbraw/zinc/25/27/69/569252769.db2.gz GNXHYQRSDHOVTB-OAHLLOKOSA-N 0 0 421.566 5.108 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)cs1 ZINC000009996191 569252829 /nfs/dbraw/zinc/25/28/29/569252829.db2.gz KJAKGXITBHWTDB-UHFFFAOYSA-N 0 0 411.914 5.151 50 0 HKAARN Cc1cc(Br)ccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000010012983 571294038 /nfs/dbraw/zinc/29/40/38/571294038.db2.gz MHDYLBUYKLCXBD-UHFFFAOYSA-N 0 0 424.729 6.765 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COc1ccc2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc2c1 ZINC000010064106 571294716 /nfs/dbraw/zinc/29/47/16/571294716.db2.gz COBOBKXGVWSSNZ-UHFFFAOYSA-N 0 0 417.534 5.093 50 0 HKAARN C[C@H](NC(=O)CSc1nnc(Nc2ccccc2F)s1)c1ccccc1Cl ZINC000010077286 569039275 /nfs/dbraw/zinc/03/92/75/569039275.db2.gz NHYVGRREVFCBAZ-NSHDSACASA-N 0 0 422.938 5.044 50 0 HKAARN C[C@@H](NC(=O)CSc1nnc(Nc2ccccc2F)s1)c1ccccc1Cl ZINC000010077291 571294847 /nfs/dbraw/zinc/29/48/47/571294847.db2.gz NHYVGRREVFCBAZ-LLVKDONJSA-N 0 0 422.938 5.044 50 0 HKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(C(C)C)cc1 ZINC000010096192 571294842 /nfs/dbraw/zinc/29/48/42/571294842.db2.gz XKFUQCQJTJLIPJ-UHFFFAOYSA-N 0 0 407.535 5.896 50 0 HKAARN CCCCN1c2ccc(NC(=O)Cc3ccc(C(C)C)cc3)c3cccc(c23)C1=O ZINC000010096278 571294846 /nfs/dbraw/zinc/29/48/46/571294846.db2.gz ROTWNUDNQPZXST-UHFFFAOYSA-N 0 0 400.522 5.905 50 0 HKAARN CC(C)c1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1 ZINC000010096967 571294813 /nfs/dbraw/zinc/29/48/13/571294813.db2.gz 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571295318 /nfs/dbraw/zinc/29/53/18/571295318.db2.gz MBOJUIMHLDSBAA-UHFFFAOYSA-N 0 0 419.864 5.439 50 0 HKAARN COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1-c1cc2ccccc2oc1=O ZINC000010128903 557855817 /nfs/dbraw/zinc/85/58/17/557855817.db2.gz GTLZRSFFEHNKFQ-UHFFFAOYSA-N 0 0 419.864 5.683 50 0 HKAARN C[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000010132781 571295286 /nfs/dbraw/zinc/29/52/86/571295286.db2.gz LQMFIYODQRPDGD-KRWDZBQOSA-N 0 0 406.913 5.004 50 0 HKAARN C[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000010132786 571295306 /nfs/dbraw/zinc/29/53/06/571295306.db2.gz LQMFIYODQRPDGD-QGZVFWFLSA-N 0 0 406.913 5.004 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(Cl)ccc1F ZINC000010136900 571295418 /nfs/dbraw/zinc/29/54/18/571295418.db2.gz RXGGHRICXGRCAZ-UHFFFAOYSA-N 0 0 400.866 5.225 50 0 HKAARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1Cl ZINC000010139689 571295407 /nfs/dbraw/zinc/29/54/07/571295407.db2.gz XUBKXBXMRMJVSU-UHFFFAOYSA-N 0 0 402.325 5.293 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1Cl ZINC000010139753 571295398 /nfs/dbraw/zinc/29/53/98/571295398.db2.gz QSUMOVFJCWDJAD-UHFFFAOYSA-N 0 0 416.352 5.601 50 0 HKAARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)cc1Cl ZINC000010139783 571295437 /nfs/dbraw/zinc/29/54/37/571295437.db2.gz PDWAPTMAPYQFER-UHFFFAOYSA-N 0 0 402.325 5.293 50 0 HKAARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(Cl)c1Cl ZINC000010139790 571295491 /nfs/dbraw/zinc/29/54/91/571295491.db2.gz OCSHTIBWMWJLPE-UHFFFAOYSA-N 0 0 402.325 5.293 50 0 HKAARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1c(Cl)cccc1Cl ZINC000010139807 571295498 /nfs/dbraw/zinc/29/54/98/571295498.db2.gz XENZBHIBSYDBHZ-UHFFFAOYSA-N 0 0 402.325 5.293 50 0 HKAARN CCOc1ccc(Cl)cc1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000010154913 557856076 /nfs/dbraw/zinc/85/60/76/557856076.db2.gz OLWZZSZRLPAAJK-UHFFFAOYSA-N 0 0 411.885 5.449 50 0 HKAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000010156848 557856225 /nfs/dbraw/zinc/85/62/25/557856225.db2.gz 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O=c1c2cnc(Nc3ccc(Oc4ccccc4)cc3)nc2ccn1Cc1ccccc1 ZINC000010157499 571295590 /nfs/dbraw/zinc/29/55/90/571295590.db2.gz LLKBRDPVWIOUJM-UHFFFAOYSA-N 0 0 420.472 5.376 50 0 HKAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Sc1ccccc1 ZINC000010186012 571295901 /nfs/dbraw/zinc/29/59/01/571295901.db2.gz AXVAIXWFAAUSIB-QGZVFWFLSA-N 0 0 417.534 5.014 50 0 HKAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Sc1ccccc1 ZINC000010186013 571295932 /nfs/dbraw/zinc/29/59/32/571295932.db2.gz AXVAIXWFAAUSIB-KRWDZBQOSA-N 0 0 417.534 5.014 50 0 HKAARN CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(cccc3Cl)s2)cc1 ZINC000010187576 571296012 /nfs/dbraw/zinc/29/60/12/571296012.db2.gz PRCQGUKYGNCVBN-UHFFFAOYSA-N 0 0 421.909 5.394 50 0 HKAARN CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(cccc3Cl)s2)cc1 ZINC000010187577 571296060 /nfs/dbraw/zinc/29/60/60/571296060.db2.gz ZWUURQWNSLQAOY-UHFFFAOYSA-N 0 0 422.941 5.258 50 0 HKAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccc(SC)c3)nc2c1 ZINC000010187601 571296041 /nfs/dbraw/zinc/29/60/41/571296041.db2.gz 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571296151 /nfs/dbraw/zinc/29/61/51/571296151.db2.gz BFXNMURPINHREZ-UHFFFAOYSA-N 0 0 421.881 5.531 50 0 HKAARN O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000010187652 571296135 /nfs/dbraw/zinc/29/61/35/571296135.db2.gz GMBCMSAPWHDHEO-VOTSOKGWSA-N 0 0 413.474 5.278 50 0 HKAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)nc21 ZINC000010187692 571296117 /nfs/dbraw/zinc/29/61/17/571296117.db2.gz HDMUHJJNJQQTJP-PKNBQFBNSA-N 0 0 421.547 5.316 50 0 HKAARN Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc21 ZINC000010187700 571296124 /nfs/dbraw/zinc/29/61/24/571296124.db2.gz SBNFWRWEWYFNRC-UHFFFAOYSA-N 0 0 421.953 5.819 50 0 HKAARN Cc1c2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2ccc1Cl ZINC000010187713 571296193 /nfs/dbraw/zinc/29/61/93/571296193.db2.gz GYTNETYKUJMTBV-UHFFFAOYSA-N 0 0 421.953 5.819 50 0 HKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc2c1C ZINC000010187745 571296108 /nfs/dbraw/zinc/29/61/08/571296108.db2.gz FPYYMSQVQTXIRW-UHFFFAOYSA-N 0 0 419.575 5.634 50 0 HKAARN Cc1ccccc1Cn1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000010187756 571296155 /nfs/dbraw/zinc/29/61/55/571296155.db2.gz GTXJWAINDQKYPG-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000010192955 571296454 /nfs/dbraw/zinc/29/64/54/571296454.db2.gz SUQAWWZCZRRILX-UHFFFAOYSA-N 0 0 409.917 5.475 50 0 HKAARN O=c1c2c(C3CC3)csc2nc(SC[C@@H](O)c2ccccc2)n1-c1ccccc1 ZINC000010202100 571296493 /nfs/dbraw/zinc/29/64/93/571296493.db2.gz FFLVQAULXBPDGZ-LJQANCHMSA-N 0 0 420.559 5.150 50 0 HKAARN O=c1c2c(C3CC3)csc2nc(SC[C@H](O)c2ccccc2)n1-c1ccccc1 ZINC000010202102 571296437 /nfs/dbraw/zinc/29/64/37/571296437.db2.gz FFLVQAULXBPDGZ-IBGZPJMESA-N 0 0 420.559 5.150 50 0 HKAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC(F)F)ccc12 ZINC000010208165 571296579 /nfs/dbraw/zinc/29/65/79/571296579.db2.gz JQHYQLGRZNMXQJ-UHFFFAOYSA-N 0 0 419.449 5.078 50 0 HKAARN CCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 ZINC000010213480 571296697 /nfs/dbraw/zinc/29/66/97/571296697.db2.gz 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Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccccn1)O2 ZINC000010215535 571297123 /nfs/dbraw/zinc/29/71/23/571297123.db2.gz PFDRBBULTUZYRC-QFBILLFUSA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccccn1)O2 ZINC000010215537 571297119 /nfs/dbraw/zinc/29/71/19/571297119.db2.gz PFDRBBULTUZYRC-LPHOPBHVSA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccsc1)O2 ZINC000010215540 571297037 /nfs/dbraw/zinc/29/70/37/571297037.db2.gz AGQKQVXUHPJYJT-MAUKXSAKSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccsc1)O2 ZINC000010215542 571297089 /nfs/dbraw/zinc/29/70/89/571297089.db2.gz AGQKQVXUHPJYJT-CRAIPNDOSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccco1)O2 ZINC000010215547 571297069 /nfs/dbraw/zinc/29/70/69/571297069.db2.gz VREJKRONEZOCFX-KBXCAEBGSA-N 0 0 401.285 5.346 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccco1)O2 ZINC000010215553 571297116 /nfs/dbraw/zinc/29/71/16/571297116.db2.gz VREJKRONEZOCFX-KSSFIOAISA-N 0 0 401.285 5.346 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215654 571297065 /nfs/dbraw/zinc/29/70/65/571297065.db2.gz LGTCWJSYPZONER-AUSIDOKSSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215658 571297114 /nfs/dbraw/zinc/29/71/14/571297114.db2.gz LGTCWJSYPZONER-XXBNENTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215660 571297059 /nfs/dbraw/zinc/29/70/59/571297059.db2.gz XXDXXNVXWIGLKQ-NFBKMPQASA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215664 571297055 /nfs/dbraw/zinc/29/70/55/571297055.db2.gz XXDXXNVXWIGLKQ-OFNKIYASSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccs2)cc1 ZINC000010215702 571297094 /nfs/dbraw/zinc/29/70/94/571297094.db2.gz NCCMNHMMIKNLBL-WMZHIEFXSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccs2)cc1 ZINC000010215704 571297063 /nfs/dbraw/zinc/29/70/63/571297063.db2.gz NCCMNHMMIKNLBL-AUSIDOKSSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccsc2)cc1 ZINC000010215708 571297171 /nfs/dbraw/zinc/29/71/71/571297171.db2.gz SSWOYWYZAORXFQ-NZQKXSOJSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccsc2)cc1 ZINC000010215712 571297162 /nfs/dbraw/zinc/29/71/62/571297162.db2.gz SSWOYWYZAORXFQ-NFBKMPQASA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccncc2)cc1 ZINC000010215716 571297216 /nfs/dbraw/zinc/29/72/16/571297216.db2.gz OQSFXQXBUVFXKX-WIOPSUGQSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccncc2)cc1 ZINC000010215722 571297237 /nfs/dbraw/zinc/29/72/37/571297237.db2.gz OQSFXQXBUVFXKX-RCZVLFRGSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccnc2)cc1 ZINC000010215724 571297210 /nfs/dbraw/zinc/29/72/10/571297210.db2.gz FFLALKUTFDIZSL-WIOPSUGQSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccnc2)cc1 ZINC000010215728 571297240 /nfs/dbraw/zinc/29/72/40/571297240.db2.gz FFLALKUTFDIZSL-RCZVLFRGSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccn2)cc1 ZINC000010215733 571297208 /nfs/dbraw/zinc/29/72/08/571297208.db2.gz GQIQXMCBRHJHTO-WIOPSUGQSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccn2)cc1 ZINC000010215738 571297140 /nfs/dbraw/zinc/29/71/40/571297140.db2.gz GQIQXMCBRHJHTO-RCZVLFRGSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccsc2)cc1 ZINC000010215743 571297198 /nfs/dbraw/zinc/29/71/98/571297198.db2.gz NLEDJEWAOGNQHZ-XUZZJYLKSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccsc2)cc1 ZINC000010215749 571297141 /nfs/dbraw/zinc/29/71/41/571297141.db2.gz NLEDJEWAOGNQHZ-ZJSXRUAMSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccco2)cc1 ZINC000010215753 571297186 /nfs/dbraw/zinc/29/71/86/571297186.db2.gz MLMJVMYSDILOHF-GBXCKJPGSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccco2)cc1 ZINC000010215758 571297135 /nfs/dbraw/zinc/29/71/35/571297135.db2.gz MLMJVMYSDILOHF-HYBUGGRVSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010215811 571297214 /nfs/dbraw/zinc/29/72/14/571297214.db2.gz NVJUZPUYIFHPJK-UZUQRXQVSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010215815 571297242 /nfs/dbraw/zinc/29/72/42/571297242.db2.gz NVJUZPUYIFHPJK-HXOBKFHXSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010215819 571297204 /nfs/dbraw/zinc/29/72/04/571297204.db2.gz FKFCBITVXQBREZ-WZONZLPQSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010215821 571297196 /nfs/dbraw/zinc/29/71/96/571297196.db2.gz FKFCBITVXQBREZ-JPYJTQIMSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 ZINC000010216182 569253338 /nfs/dbraw/zinc/25/33/38/569253338.db2.gz VJLIFRAZSSOQHT-ZJSXRUAMSA-N 0 0 404.535 6.006 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 ZINC000010216187 569253339 /nfs/dbraw/zinc/25/33/39/569253339.db2.gz VJLIFRAZSSOQHT-QPPBQGQZSA-N 0 0 404.535 6.006 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)cc1OC ZINC000010217801 569253519 /nfs/dbraw/zinc/25/35/19/569253519.db2.gz MASXNUVILZRYEC-UHFFFAOYSA-N 0 0 414.552 5.338 50 0 HKAARN Cc1ccc(SCCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000010217880 569253624 /nfs/dbraw/zinc/25/36/24/569253624.db2.gz ITOCKQUDYAYFGW-UHFFFAOYSA-N 0 0 412.536 5.358 50 0 HKAARN COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000010217960 569253654 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COc1ccc(SCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000010219157 569253788 /nfs/dbraw/zinc/25/37/88/569253788.db2.gz QUZXBIDXOYWTRZ-UHFFFAOYSA-N 0 0 422.531 5.408 50 0 HKAARN COc1ccc(SCC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000010219207 569253761 /nfs/dbraw/zinc/25/37/61/569253761.db2.gz OMVJGOOSMAOUQC-UHFFFAOYSA-N 0 0 413.549 5.159 50 0 HKAARN COc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000010219209 569253775 /nfs/dbraw/zinc/25/37/75/569253775.db2.gz YWUUGXZGXGWWNW-UHFFFAOYSA-N 0 0 406.532 5.703 50 0 HKAARN COc1ccc(SCCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000010219551 569253884 /nfs/dbraw/zinc/25/38/84/569253884.db2.gz UNIMHCJPUNSXJM-UHFFFAOYSA-N 0 0 415.565 5.344 50 0 HKAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000010219561 569253882 /nfs/dbraw/zinc/25/38/82/569253882.db2.gz QHKZLSOEYDEPBV-UHFFFAOYSA-N 0 0 412.536 5.142 50 0 HKAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000010219563 569253886 /nfs/dbraw/zinc/25/38/86/569253886.db2.gz GDEFUWKYHWNESX-UHFFFAOYSA-N 0 0 410.973 5.655 50 0 HKAARN CCOc1ccc(-c2csc(NC(=O)CCSc3ccc(OC)cc3)n2)cc1 ZINC000010219569 569253906 /nfs/dbraw/zinc/25/39/06/569253906.db2.gz JUUPMUDNJLZTPF-UHFFFAOYSA-N 0 0 414.552 5.338 50 0 HKAARN COc1ccc(SCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000010219575 569253904 /nfs/dbraw/zinc/25/39/04/569253904.db2.gz AQPIFFRIVIBICF-UHFFFAOYSA-N 0 0 403.507 5.359 50 0 HKAARN COc1ccc(SCCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000010219591 569253898 /nfs/dbraw/zinc/25/38/98/569253898.db2.gz QAFSJUCFWHDOBY-UHFFFAOYSA-N 0 0 415.565 5.344 50 0 HKAARN COc1ccc(SCCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000010219592 569253891 /nfs/dbraw/zinc/25/38/91/569253891.db2.gz JNAOZPXKSQMJLP-UHFFFAOYSA-N 0 0 420.559 6.093 50 0 HKAARN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000010219603 569253911 /nfs/dbraw/zinc/25/39/11/569253911.db2.gz UCRMEZZPMRRXLM-INIZCTEOSA-N 0 0 402.885 5.079 50 0 HKAARN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000010219605 569253868 /nfs/dbraw/zinc/25/38/68/569253868.db2.gz UCRMEZZPMRRXLM-MRXNPFEDSA-N 0 0 402.885 5.079 50 0 HKAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000010220112 569253335 /nfs/dbraw/zinc/25/33/35/569253335.db2.gz UWKVIRCDABXLPT-XMMPIXPASA-N 0 0 420.509 5.246 50 0 HKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c12 ZINC000010220411 569253374 /nfs/dbraw/zinc/25/33/74/569253374.db2.gz SRVNRXNGZGQPGL-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1N1CCCCC1=O ZINC000010221003 132244879 /nfs/dbraw/zinc/24/48/79/132244879.db2.gz GPIOHJXWTFBORM-UHFFFAOYSA-N 0 0 421.722 5.180 50 0 HKAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000010221041 571297301 /nfs/dbraw/zinc/29/73/01/571297301.db2.gz QBJYCQPMLVENRS-UHFFFAOYSA-N 0 0 413.808 5.140 50 0 HKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](O)c2ccccc2)c(C)c1 ZINC000010227581 571297444 /nfs/dbraw/zinc/29/74/44/571297444.db2.gz DMOXRACLQXMHFT-QHCPKHFHSA-N 0 0 415.562 5.301 50 0 HKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H](O)c2ccccc2)c(C)c1 ZINC000010227585 571297453 /nfs/dbraw/zinc/29/74/53/571297453.db2.gz DMOXRACLQXMHFT-HSZRJFAPSA-N 0 0 415.562 5.301 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233029 571297597 /nfs/dbraw/zinc/29/75/97/571297597.db2.gz SWTPNEKVZRZJDK-GOSISDBHSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233030 571297519 /nfs/dbraw/zinc/29/75/19/571297519.db2.gz SWTPNEKVZRZJDK-SFHVURJKSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(c1nccs1)C3=O ZINC000010233173 571297511 /nfs/dbraw/zinc/29/75/11/571297511.db2.gz HSCRDHOWGVBNFE-SFHVURJKSA-N 0 0 422.893 5.270 50 0 HKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O ZINC000010233174 571297598 /nfs/dbraw/zinc/29/75/98/571297598.db2.gz HSCRDHOWGVBNFE-GOSISDBHSA-N 0 0 422.893 5.270 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235565 571297921 /nfs/dbraw/zinc/29/79/21/571297921.db2.gz KECPRPZFQRAWBM-ZDUSSCGKSA-N 0 0 418.921 5.262 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235566 571297886 /nfs/dbraw/zinc/29/78/86/571297886.db2.gz KECPRPZFQRAWBM-CYBMUJFWSA-N 0 0 418.921 5.262 50 0 HKAARN Cc1cccc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000010235678 571297882 /nfs/dbraw/zinc/29/78/82/571297882.db2.gz QJBSTNGDRMIHRC-UHFFFAOYSA-N 0 0 400.931 5.043 50 0 HKAARN Cc1ccccc1OCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235694 571297870 /nfs/dbraw/zinc/29/78/70/571297870.db2.gz UTOJMOKTRATWTE-UHFFFAOYSA-N 0 0 400.931 5.043 50 0 HKAARN O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235807 571297853 /nfs/dbraw/zinc/29/78/53/571297853.db2.gz RUIUSXBZLNGNHM-UHFFFAOYSA-N 0 0 422.941 5.155 50 0 HKAARN O=C(c1cnn(-c2ccccc2)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235924 571297913 /nfs/dbraw/zinc/29/79/13/571297913.db2.gz FQMOZFBLUIBGAM-UHFFFAOYSA-N 0 0 422.941 5.155 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000010236768 571297903 /nfs/dbraw/zinc/29/79/03/571297903.db2.gz AVRWZBKWKLADRI-UHFFFAOYSA-N 0 0 415.877 5.045 50 0 HKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000010236799 571297872 /nfs/dbraw/zinc/29/78/72/571297872.db2.gz FTHCAKLGTIAZFZ-UHFFFAOYSA-N 0 0 410.481 5.116 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000010236844 571297922 /nfs/dbraw/zinc/29/79/22/571297922.db2.gz ZEHRBMMNNCGNPK-UHFFFAOYSA-N 0 0 407.514 5.815 50 0 HKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1 ZINC000010245853 571297935 /nfs/dbraw/zinc/29/79/35/571297935.db2.gz VYNVXZURGHGVPR-UHFFFAOYSA-N 0 0 420.490 5.327 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)c1 ZINC000010246611 571297987 /nfs/dbraw/zinc/29/79/87/571297987.db2.gz AYOJPEMUGCQWOO-UHFFFAOYSA-N 0 0 422.462 5.016 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000010249836 557857940 /nfs/dbraw/zinc/85/79/40/557857940.db2.gz CBRKFKFQDHHFNR-UHFFFAOYSA-N 0 0 422.941 5.674 50 0 HKAARN CCSc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000010252450 571298307 /nfs/dbraw/zinc/29/83/07/571298307.db2.gz YSVHXQBCJFBHKU-UHFFFAOYSA-N 0 0 414.552 5.121 50 0 HKAARN CCSc1ccc(CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 ZINC000010252480 569039280 /nfs/dbraw/zinc/03/92/80/569039280.db2.gz NNTQOZJLMDYXEG-UHFFFAOYSA-N 0 0 414.552 5.121 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Br)c(C)c2)cc1C ZINC000010253627 571298489 /nfs/dbraw/zinc/29/84/89/571298489.db2.gz VCFVJGKBKINOOM-UHFFFAOYSA-N 0 0 408.303 5.247 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000010253631 571298499 /nfs/dbraw/zinc/29/84/99/571298499.db2.gz KHGMPCUWINVTOT-UHFFFAOYSA-N 0 0 407.477 5.968 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000010253712 571298537 /nfs/dbraw/zinc/29/85/37/571298537.db2.gz MMAJTOLZNHUITC-UHFFFAOYSA-N 0 0 403.795 5.540 50 0 HKAARN CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1 ZINC000010253859 571298603 /nfs/dbraw/zinc/29/86/03/571298603.db2.gz QFJFWKCHDJXMCL-UHFFFAOYSA-N 0 0 400.269 5.265 50 0 HKAARN Clc1cccc(-n2ncc3c2ncnc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000010254025 569254200 /nfs/dbraw/zinc/25/42/00/569254200.db2.gz IHOGLSHCBHMDAM-UHFFFAOYSA-N 0 0 413.868 6.005 50 0 HKAARN COc1ccc2sc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)nc2c1 ZINC000010254265 569254183 /nfs/dbraw/zinc/25/41/83/569254183.db2.gz OVCYGWAENHCKOF-FNORWQNLSA-N 0 0 407.520 5.008 50 0 HKAARN COc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010254291 569254202 /nfs/dbraw/zinc/25/42/02/569254202.db2.gz KZMWKUOFZCMRMO-FNORWQNLSA-N 0 0 407.520 5.008 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010254301 569254189 /nfs/dbraw/zinc/25/41/89/569254189.db2.gz FXDORVLDCWRMIZ-SOFGYWHQSA-N 0 0 421.547 5.398 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccncc3)C(=O)CCc3ccccc3)sc2c1 ZINC000010254303 569254185 /nfs/dbraw/zinc/25/41/85/569254185.db2.gz JGFYCJAHBDWHNV-UHFFFAOYSA-N 0 0 417.534 5.256 50 0 HKAARN CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000010254309 569254217 /nfs/dbraw/zinc/25/42/17/569254217.db2.gz LDRDOPLKIMNAFA-UHFFFAOYSA-N 0 0 421.909 5.394 50 0 HKAARN O=C(c1cccc(Cl)c1)N(Cc1ccncc1)c1nc2c(cc(F)cc2F)s1 ZINC000010254328 569254214 /nfs/dbraw/zinc/25/42/14/569254214.db2.gz YDBXHBNMAZKZLK-UHFFFAOYSA-N 0 0 415.852 5.470 50 0 HKAARN Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)CCc3ccccc3)nc21 ZINC000010254355 569254173 /nfs/dbraw/zinc/25/41/73/569254173.db2.gz UGESNMNHAPLHBR-UHFFFAOYSA-N 0 0 421.953 5.819 50 0 HKAARN CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000010254357 569254184 /nfs/dbraw/zinc/25/41/84/569254184.db2.gz QTWPYDYSVRIGRC-UHFFFAOYSA-N 0 0 415.518 5.358 50 0 HKAARN Cc1c2nc(N(Cc3ccncc3)C(=O)CCc3ccccc3)sc2ccc1Cl ZINC000010254362 569254218 /nfs/dbraw/zinc/25/42/18/569254218.db2.gz COAMZCPQFAHNTA-UHFFFAOYSA-N 0 0 421.953 5.819 50 0 HKAARN CSc1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(F)cc3s2)cc1 ZINC000010254381 569254195 /nfs/dbraw/zinc/25/41/95/569254195.db2.gz LBUAIUYVYSGSTQ-UHFFFAOYSA-N 0 0 423.538 5.328 50 0 HKAARN CSc1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(cccc3C)s2)cc1 ZINC000010254382 569254219 /nfs/dbraw/zinc/25/42/19/569254219.db2.gz WNFDURVYQQDZAN-UHFFFAOYSA-N 0 0 419.575 5.498 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254493 569254321 /nfs/dbraw/zinc/25/43/21/569254321.db2.gz WBDCUKWCXKNUIN-UHFFFAOYSA-N 0 0 423.900 5.556 50 0 HKAARN C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1ccc(F)cc1F ZINC000010262306 571298735 /nfs/dbraw/zinc/29/87/35/571298735.db2.gz JESWEEBNQLETAG-HNNXBMFYSA-N 0 0 406.436 5.529 50 0 HKAARN C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1ccc(F)cc1F ZINC000010262307 571298725 /nfs/dbraw/zinc/29/87/25/571298725.db2.gz JESWEEBNQLETAG-OAHLLOKOSA-N 0 0 406.436 5.529 50 0 HKAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc43)s2)c1 ZINC000010267403 571298715 /nfs/dbraw/zinc/29/87/15/571298715.db2.gz VXUHNPWNXZINHU-LBPRGKRZSA-N 0 0 410.524 5.135 50 0 HKAARN COc1cccc(Nc2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc43)s2)c1 ZINC000010267404 571298749 /nfs/dbraw/zinc/29/87/49/571298749.db2.gz VXUHNPWNXZINHU-GFCCVEGCSA-N 0 0 410.524 5.135 50 0 HKAARN CCCn1ccnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000010270586 571298842 /nfs/dbraw/zinc/29/88/42/571298842.db2.gz JGTJKGPRUUTKLV-UHFFFAOYSA-N 0 0 414.600 5.652 50 0 HKAARN Cc1ccc2nc(-c3ccccc3)cc(-c3nn4c(nnc4-c4ccccc4)s3)c2c1 ZINC000010272144 571298838 /nfs/dbraw/zinc/29/88/38/571298838.db2.gz ZUDHOFQHGIZXKC-UHFFFAOYSA-N 0 0 419.513 6.043 50 0 HKAARN FC(F)(F)c1ccccc1-c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000010272145 557261270 /nfs/dbraw/zinc/26/12/70/557261270.db2.gz ZMGSJHMWBPNNBY-UHFFFAOYSA-N 0 0 422.435 6.206 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cc(Br)cs1 ZINC000010272154 571298897 /nfs/dbraw/zinc/29/88/97/571298897.db2.gz PTFYWYDDHDKANN-UHFFFAOYSA-N 0 0 413.749 5.464 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000010273432 571299060 /nfs/dbraw/zinc/29/90/60/571299060.db2.gz WUFFPUKQNNZREO-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN O=C(Nc1ccccc1Cc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000010275798 571299232 /nfs/dbraw/zinc/29/92/32/571299232.db2.gz LXXNHIRYVIHVOM-UHFFFAOYSA-N 0 0 413.521 5.160 50 0 HKAARN COc1ccc(CN(Cc2cccs2)C(=O)c2cc3ccccc3o2)cc1OC ZINC000010276270 571299170 /nfs/dbraw/zinc/29/91/70/571299170.db2.gz QZTIQAIDYFSQKW-UHFFFAOYSA-N 0 0 407.491 5.354 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000010277122 571299177 /nfs/dbraw/zinc/29/91/77/571299177.db2.gz WSSJNCRDIWAZGF-HNNXBMFYSA-N 0 0 402.523 5.193 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000010277127 571299199 /nfs/dbraw/zinc/29/91/99/571299199.db2.gz WSSJNCRDIWAZGF-OAHLLOKOSA-N 0 0 402.523 5.193 50 0 HKAARN CCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010280215 557858156 /nfs/dbraw/zinc/85/81/56/557858156.db2.gz RWXAFUSTJQIOEO-UHFFFAOYSA-N 0 0 422.569 5.961 50 0 HKAARN CC(C)CCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010280223 557858155 /nfs/dbraw/zinc/85/81/55/557858155.db2.gz BNAOZHBHWZBIFK-UHFFFAOYSA-N 0 0 408.542 5.426 50 0 HKAARN CCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010280268 557858152 /nfs/dbraw/zinc/85/81/52/557858152.db2.gz CRMUSGYHDALFHK-UHFFFAOYSA-N 0 0 408.542 5.570 50 0 HKAARN COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc(Cl)c1OC(C)C ZINC000010286047 571299353 /nfs/dbraw/zinc/29/93/53/571299353.db2.gz PWHBAJZYHPJXLX-UHFFFAOYSA-N 0 0 404.919 5.018 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000010286621 571299392 /nfs/dbraw/zinc/29/93/92/571299392.db2.gz BSHMOMNUGAMEHQ-UHFFFAOYSA-N 0 0 406.482 5.287 50 0 HKAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010288808 571299466 /nfs/dbraw/zinc/29/94/66/571299466.db2.gz SZQOBFOCAUGOCG-NRFANRHFSA-N 0 0 408.523 5.459 50 0 HKAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000010288817 571299400 /nfs/dbraw/zinc/29/94/00/571299400.db2.gz SZQOBFOCAUGOCG-OAQYLSRUSA-N 0 0 408.523 5.459 50 0 HKAARN O=C(Cc1ccc(Br)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000010291008 571299434 /nfs/dbraw/zinc/29/94/34/571299434.db2.gz CELQWRFRQRFRHE-LJQANCHMSA-N 0 0 404.304 5.098 50 0 HKAARN O=C(Cc1ccc(Br)cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010291014 571299419 /nfs/dbraw/zinc/29/94/19/571299419.db2.gz CELQWRFRQRFRHE-IBGZPJMESA-N 0 0 404.304 5.098 50 0 HKAARN CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000010300826 569254277 /nfs/dbraw/zinc/25/42/77/569254277.db2.gz QYLJDDCVWQVIDK-UHFFFAOYSA-N 0 0 412.773 6.141 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2)cs1 ZINC000010307350 571299735 /nfs/dbraw/zinc/29/97/35/571299735.db2.gz ZDFRPLUCXHMZSZ-MRZGDXHCSA-N 0 0 414.477 5.199 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3ccc(F)c(F)c3)c2)cs1 ZINC000010307351 571299709 /nfs/dbraw/zinc/29/97/09/571299709.db2.gz ZDFRPLUCXHMZSZ-VIIAAUOXSA-N 0 0 414.477 5.199 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-c2nccs2)cc1 ZINC000010307902 571299720 /nfs/dbraw/zinc/29/97/20/571299720.db2.gz SHCOGVRJBXCLDY-UHFFFAOYSA-N 0 0 411.433 5.315 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCOc1ccc2ccccc2c1 ZINC000010310526 571299734 /nfs/dbraw/zinc/29/97/34/571299734.db2.gz VFSNURNSMDSYFH-UHFFFAOYSA-N 0 0 420.896 5.276 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCOc1ccc2ccccc2c1 ZINC000010310528 571299725 /nfs/dbraw/zinc/29/97/25/571299725.db2.gz AQMQTUKOWSSNRD-UHFFFAOYSA-N 0 0 420.896 5.276 50 0 HKAARN Cc1cc(-c2nn3c(nnc3-c3ccc(Br)cc3)s2)c2ccccc2n1 ZINC000010311563 557858942 /nfs/dbraw/zinc/85/89/42/557858942.db2.gz LLUJILBFPMJWKD-UHFFFAOYSA-N 0 0 422.311 5.139 50 0 HKAARN c1csc(-c2cc(-c3nn4c(nnc4-c4ccccn4)s3)c3ccccc3n2)c1 ZINC000010312440 557859149 /nfs/dbraw/zinc/85/91/49/557859149.db2.gz XTVLSAFHPNXLJB-UHFFFAOYSA-N 0 0 412.503 5.192 50 0 HKAARN CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccccc1 ZINC000010315377 557859534 /nfs/dbraw/zinc/85/95/34/557859534.db2.gz RDOSSTQIEQQMDP-UHFFFAOYSA-N 0 0 423.900 5.099 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(Br)c1 ZINC000010321272 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COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 ZINC000010512270 571304042 /nfs/dbraw/zinc/30/40/42/571304042.db2.gz SZSQFYLRSAKCQH-UHFFFAOYSA-N 0 0 422.510 5.010 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000010513130 571304040 /nfs/dbraw/zinc/30/40/40/571304040.db2.gz HFUZWEQCZKDYCT-UHFFFAOYSA-N 0 0 400.526 5.502 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000010513142 571303964 /nfs/dbraw/zinc/30/39/64/571303964.db2.gz ZYUYJHJAUNDAEA-UHFFFAOYSA-N 0 0 402.498 5.956 50 0 HKAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC(F)F)cc1 ZINC000010515689 571304203 /nfs/dbraw/zinc/30/42/03/571304203.db2.gz WDERZWLZSGOYRG-UHFFFAOYSA-N 0 0 419.449 5.073 50 0 HKAARN Cc1cc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n2)c(C)s1 ZINC000010520665 571304338 /nfs/dbraw/zinc/30/43/38/571304338.db2.gz HFHJRKSBGSSPOQ-UHFFFAOYSA-N 0 0 415.565 5.175 50 0 HKAARN COc1cccc2sc(N(Cc3ccco3)C(=O)c3nc4ccccc4s3)nc21 ZINC000010527266 557093462 /nfs/dbraw/zinc/09/34/62/557093462.db2.gz RYBLEZLKRYHXFG-UHFFFAOYSA-N 0 0 421.503 5.355 50 0 HKAARN COc1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc(SC)cc3)nc21 ZINC000010527379 557093472 /nfs/dbraw/zinc/09/34/72/557093472.db2.gz IDGLQBDYTPQVCC-UHFFFAOYSA-N 0 0 424.547 5.396 50 0 HKAARN CCOc1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010527495 557093790 /nfs/dbraw/zinc/09/37/90/557093790.db2.gz NMTDHRXQAQGLFQ-UHFFFAOYSA-N 0 0 410.470 5.203 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)c(Br)c1 ZINC000010535952 557258753 /nfs/dbraw/zinc/25/87/53/557258753.db2.gz NPOULKATCCEILV-SNVBAGLBSA-N 0 0 419.266 5.291 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c(Br)c1 ZINC000010535953 557258806 /nfs/dbraw/zinc/25/88/06/557258806.db2.gz NPOULKATCCEILV-JTQLQIEISA-N 0 0 419.266 5.291 50 0 HKAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000010537092 558258442 /nfs/dbraw/zinc/25/84/42/558258442.db2.gz ISPOBHTXHIWROZ-UHFFFAOYSA-N 0 0 424.715 5.748 50 0 HKAARN CCCCn1nc(C)c(/C=C/C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1Cl ZINC000010540558 557270737 /nfs/dbraw/zinc/27/07/37/557270737.db2.gz QGBPFOUUVQBYRF-OUKQBFOZSA-N 0 0 411.937 5.099 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000010540891 557271117 /nfs/dbraw/zinc/27/11/17/557271117.db2.gz NHUHADWAHXQEDK-FYWRMAATSA-N 0 0 401.441 5.540 50 0 HKAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)s2)cc1 ZINC000010541113 557388274 /nfs/dbraw/zinc/38/82/74/557388274.db2.gz NQAZRBWEWJGVHW-UHFFFAOYSA-N 0 0 416.550 5.736 50 0 HKAARN COc1ccc2c(c1)CCCN2C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000010542159 536969699 /nfs/dbraw/zinc/96/96/99/536969699.db2.gz AAZWAIRIJOYDDJ-UHFFFAOYSA-N 0 0 406.096 5.297 50 0 HKAARN COc1ccc2c(c1)CCCN2C(=O)c1oc2ccc(Br)cc2c1C ZINC000010542294 536969427 /nfs/dbraw/zinc/96/94/27/536969427.db2.gz RZYSBAOJVHQKDL-UHFFFAOYSA-N 0 0 400.272 5.105 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000010545964 557433817 /nfs/dbraw/zinc/43/38/17/557433817.db2.gz FOHNVXIRENEZGB-UHFFFAOYSA-N 0 0 405.523 5.308 50 0 HKAARN CC(=O)N(c1nc(CSc2c(C)c(C)cc(C)c2C)cs1)c1ccccc1F ZINC000010560391 560770495 /nfs/dbraw/zinc/77/04/95/560770495.db2.gz CTIZYUKSMQNQBI-UHFFFAOYSA-N 0 0 414.571 6.493 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc2ccccc2o1 ZINC000010586992 560770487 /nfs/dbraw/zinc/77/04/87/560770487.db2.gz BSUWXGKZXKZRQW-UHFFFAOYSA-N 0 0 424.481 6.040 50 0 HKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000010586997 560770497 /nfs/dbraw/zinc/77/04/97/560770497.db2.gz INDCMCHIUCGMNF-UHFFFAOYSA-N 0 0 420.262 5.679 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc2ccccc2o1 ZINC000010587006 560770499 /nfs/dbraw/zinc/77/04/99/560770499.db2.gz PKBOJXAMVUYHIA-UHFFFAOYSA-N 0 0 410.256 6.223 50 0 HKAARN COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000010588514 569039352 /nfs/dbraw/zinc/03/93/52/569039352.db2.gz RSBNHRRHLRKMMY-UHFFFAOYSA-N 0 0 400.503 5.667 50 0 HKAARN CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000010589332 557737446 /nfs/dbraw/zinc/73/74/46/557737446.db2.gz ABAAYFXABXWOAK-UHFFFAOYSA-N 0 0 414.530 6.057 50 0 HKAARN CCCCN1c2ccc(NC(=O)CSCc3ccccc3)c3cccc(c23)C1=O ZINC000010591462 557772043 /nfs/dbraw/zinc/77/20/43/557772043.db2.gz NONUEZZZQXETBD-UHFFFAOYSA-N 0 0 404.535 5.472 50 0 HKAARN COc1cccc2sc(N(Cc3ccco3)C(=O)CSCc3ccccc3)nc21 ZINC000010611935 558786970 /nfs/dbraw/zinc/78/69/70/558786970.db2.gz RZROEVJQDKWIPI-UHFFFAOYSA-N 0 0 424.547 5.365 50 0 HKAARN Cc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1F ZINC000010613029 558795040 /nfs/dbraw/zinc/79/50/40/558795040.db2.gz FHUJGLFZNPBGSW-UHFFFAOYSA-N 0 0 407.272 5.345 50 0 HKAARN CCN1c2ccc(NC(=O)CCCSCc3ccccc3)c3cccc(c23)C1=O ZINC000010616614 558809402 /nfs/dbraw/zinc/80/94/02/558809402.db2.gz IPBQIBWRQJIJHM-UHFFFAOYSA-N 0 0 404.535 5.472 50 0 HKAARN O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000010616633 558809406 /nfs/dbraw/zinc/80/94/06/558809406.db2.gz SAFAPWBGXYLEOT-UHFFFAOYSA-N 0 0 412.536 5.191 50 0 HKAARN O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000010616961 558811594 /nfs/dbraw/zinc/81/15/94/558811594.db2.gz IIBLMWNALJTPPC-UHFFFAOYSA-N 0 0 422.619 6.341 50 0 HKAARN C[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F ZINC000010637339 558833184 /nfs/dbraw/zinc/83/31/84/558833184.db2.gz BFLXHMOQWWNOQR-AWEZNQCLSA-N 0 0 422.479 5.325 50 0 HKAARN C[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F ZINC000010637344 558833211 /nfs/dbraw/zinc/83/32/11/558833211.db2.gz BFLXHMOQWWNOQR-CQSZACIVSA-N 0 0 422.479 5.325 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(F)(F)F)c1 ZINC000010641316 558836319 /nfs/dbraw/zinc/83/63/19/558836319.db2.gz FMNJFSURDYFJSZ-UHFFFAOYSA-N 0 0 416.399 5.080 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)c3c(C)noc3n2)s1 ZINC000010642178 558836302 /nfs/dbraw/zinc/83/63/02/558836302.db2.gz QRKWRCVWROMKFR-UHFFFAOYSA-N 0 0 401.850 5.613 50 0 HKAARN COc1cc(C)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1OC ZINC000010642791 558836285 /nfs/dbraw/zinc/83/62/85/558836285.db2.gz AAOJBIXQQADWHR-UHFFFAOYSA-N 0 0 423.494 5.146 50 0 HKAARN CCCn1c2ccccc2nc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000010652709 558884841 /nfs/dbraw/zinc/88/48/41/558884841.db2.gz BUEXGBAMNQYGII-UHFFFAOYSA-N 0 0 407.477 5.309 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(Cl)nn3)ccc21 ZINC000010653530 558875644 /nfs/dbraw/zinc/87/56/44/558875644.db2.gz QNJMAVFYVKFTIH-CYBMUJFWSA-N 0 0 410.930 5.377 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(Cl)nn3)ccc21 ZINC000010653531 558875872 /nfs/dbraw/zinc/87/58/72/558875872.db2.gz QNJMAVFYVKFTIH-ZDUSSCGKSA-N 0 0 410.930 5.377 50 0 HKAARN C[C@H](Sc1nncn1-c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658205 558901016 /nfs/dbraw/zinc/90/10/16/558901016.db2.gz UJSDLVUHMFJUDA-LBPRGKRZSA-N 0 0 417.416 5.189 50 0 HKAARN C[C@@H](Sc1nncn1-c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000010658206 558901507 /nfs/dbraw/zinc/90/15/07/558901507.db2.gz UJSDLVUHMFJUDA-GFCCVEGCSA-N 0 0 417.416 5.189 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(OC)c1 ZINC000010659460 558907741 /nfs/dbraw/zinc/90/77/41/558907741.db2.gz CKHUELJUPRIPQK-UHFFFAOYSA-N 0 0 422.510 5.010 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000010660566 558915681 /nfs/dbraw/zinc/91/56/81/558915681.db2.gz NGJMOSGDCKMMKN-UHFFFAOYSA-N 0 0 400.526 5.195 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000010660589 558916991 /nfs/dbraw/zinc/91/69/91/558916991.db2.gz MLWPKZIDUKQKPA-UHFFFAOYSA-N 0 0 402.498 5.649 50 0 HKAARN CCc1sc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc1C ZINC000010669103 558294650 /nfs/dbraw/zinc/29/46/50/558294650.db2.gz OOKLFOMPQPCUOU-UHFFFAOYSA-N 0 0 403.525 5.117 50 0 HKAARN O=C(CSc1ncn(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000010672010 132346269 /nfs/dbraw/zinc/34/62/69/132346269.db2.gz KJBPGVWBFKZYFX-UHFFFAOYSA-N 0 0 416.531 5.189 50 0 HKAARN O=C(Nc1nnc(CSc2ccccc2)o1)c1sc2ccccc2c1Cl ZINC000010689824 558386206 /nfs/dbraw/zinc/38/62/06/558386206.db2.gz 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558418320 /nfs/dbraw/zinc/41/83/20/558418320.db2.gz KPSUKMUNZNTOHW-UHFFFAOYSA-N 0 0 412.561 5.764 50 0 HKAARN Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000010697115 558419718 /nfs/dbraw/zinc/41/97/18/558419718.db2.gz DCQAUJAXZXOOIZ-UHFFFAOYSA-N 0 0 418.587 6.393 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc(C)cc3)sc2c1 ZINC000010699491 558419617 /nfs/dbraw/zinc/41/96/17/558419617.db2.gz JEJYKANHVLUIGP-UHFFFAOYSA-N 0 0 416.546 5.779 50 0 HKAARN Cc1ccc(C)c(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 ZINC000010700437 558419743 /nfs/dbraw/zinc/41/97/43/558419743.db2.gz BJAPMKOYRZXNQK-UHFFFAOYSA-N 0 0 412.316 6.022 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000010714845 558425949 /nfs/dbraw/zinc/42/59/49/558425949.db2.gz OIJDRJVDLBSXGY-UHFFFAOYSA-N 0 0 412.530 6.458 50 0 HKAARN COc1ccc(Oc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2OC)cc1 ZINC000010720692 558426865 /nfs/dbraw/zinc/42/68/65/558426865.db2.gz PNQYALQVWUQFKI-UHFFFAOYSA-N 0 0 417.383 5.767 50 0 HKAARN 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CCOc1cccc2cc(-c3csc(NC(=O)c4ccc5ncsc5c4)n3)oc21 ZINC000010750335 558436690 /nfs/dbraw/zinc/43/66/90/558436690.db2.gz DBXZRCBGHHNSNR-UHFFFAOYSA-N 0 0 421.503 5.817 50 0 HKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(OC)c4OC)n3)oc21 ZINC000010750420 558436724 /nfs/dbraw/zinc/43/67/24/558436724.db2.gz CTIRPKOHKWXENM-UHFFFAOYSA-N 0 0 424.478 5.225 50 0 HKAARN CCOc1cccc2cc(-c3csc(NC(=O)CSc4ccccc4)n3)oc21 ZINC000010750446 558436688 /nfs/dbraw/zinc/43/66/88/558436688.db2.gz HUIUHEZJIRGXAH-UHFFFAOYSA-N 0 0 410.520 5.686 50 0 HKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4SC)n3)oc21 ZINC000010750590 558436727 /nfs/dbraw/zinc/43/67/27/558436727.db2.gz DWXCINWPNPQBAP-UHFFFAOYSA-N 0 0 410.520 5.929 50 0 HKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4SCC)n3)oc21 ZINC000010750600 558436733 /nfs/dbraw/zinc/43/67/33/558436733.db2.gz DJWJXDNCEARQKM-UHFFFAOYSA-N 0 0 424.547 6.319 50 0 HKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(SC)c4)n3)oc21 ZINC000010750612 558436757 /nfs/dbraw/zinc/43/67/57/558436757.db2.gz 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558618290 /nfs/dbraw/zinc/61/82/90/558618290.db2.gz HAPPDEFJEJSTEX-UHFFFAOYSA-N 0 0 410.298 5.081 50 0 HKAARN COc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC ZINC000010971696 560770994 /nfs/dbraw/zinc/77/09/94/560770994.db2.gz LINFHMWTGYJLOX-UHFFFAOYSA-N 0 0 422.428 5.022 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(F)cc1Cl ZINC000010971747 560770977 /nfs/dbraw/zinc/77/09/77/560770977.db2.gz UHLPXATXJDQBIQ-UHFFFAOYSA-N 0 0 414.811 5.798 50 0 HKAARN CSc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000010972032 558632960 /nfs/dbraw/zinc/63/29/60/558632960.db2.gz NSIHGMIQKTUOKM-UHFFFAOYSA-N 0 0 408.470 5.727 50 0 HKAARN CCN1c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2OCC(C)(C)C1=O ZINC000010972231 558633058 /nfs/dbraw/zinc/63/30/58/558633058.db2.gz NZUFIXWCMDLYFC-UHFFFAOYSA-N 0 0 407.297 5.017 50 0 HKAARN CCN1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OCC(C)(C)C1=O ZINC000010972321 558633079 /nfs/dbraw/zinc/63/30/79/558633079.db2.gz XXAGABKHMZTXBS-UHFFFAOYSA-N 0 0 414.505 5.377 50 0 HKAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1Br ZINC000010985670 558641435 /nfs/dbraw/zinc/64/14/35/558641435.db2.gz DTLUBKPUGIPGEX-UHFFFAOYSA-N 0 0 420.307 5.050 50 0 HKAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1Br ZINC000010985843 558641744 /nfs/dbraw/zinc/64/17/44/558641744.db2.gz WNEYUDLIBAEHTB-UHFFFAOYSA-N 0 0 420.307 5.050 50 0 HKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000010993809 558645913 /nfs/dbraw/zinc/64/59/13/558645913.db2.gz DNZHUWROKPBDMA-UHFFFAOYSA-N 0 0 423.394 5.352 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000010997820 558647469 /nfs/dbraw/zinc/64/74/69/558647469.db2.gz LUZRIYQGHZFJGG-HNNXBMFYSA-N 0 0 403.869 5.548 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000010997824 558647427 /nfs/dbraw/zinc/64/74/27/558647427.db2.gz LUZRIYQGHZFJGG-OAHLLOKOSA-N 0 0 403.869 5.548 50 0 HKAARN COc1cc(OC)c(C2=CCN(C(=O)Nc3cccc4ccccc43)CC2)c(OC)c1 ZINC000011007653 560771036 /nfs/dbraw/zinc/77/10/36/560771036.db2.gz ZJTPXPVZIJTSMB-UHFFFAOYSA-N 0 0 418.493 5.187 50 0 HKAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)Nc1ccccc1F ZINC000011009079 558662354 /nfs/dbraw/zinc/66/23/54/558662354.db2.gz KCKNDUANKNDFRM-UHFFFAOYSA-N 0 0 400.457 5.059 50 0 HKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@@H](C)c1ccco1 ZINC000011021840 558677832 /nfs/dbraw/zinc/67/78/32/558677832.db2.gz JYSMVOZNTFLZOG-LBPRGKRZSA-N 0 0 411.449 5.028 50 0 HKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@H](C)c1ccco1 ZINC000011021841 558677774 /nfs/dbraw/zinc/67/77/74/558677774.db2.gz JYSMVOZNTFLZOG-GFCCVEGCSA-N 0 0 411.449 5.028 50 0 HKAARN Cc1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1-c1cccc(C)c1 ZINC000011023881 558677324 /nfs/dbraw/zinc/67/73/24/558677324.db2.gz HZCOBCIAQOANDR-UHFFFAOYSA-N 0 0 422.554 5.056 50 0 HKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)NC1CCCCC1 ZINC000011024732 558683427 /nfs/dbraw/zinc/68/34/27/558683427.db2.gz XHAMTTDGNIQGMG-UHFFFAOYSA-N 0 0 413.562 5.460 50 0 HKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccccc1 ZINC000011024734 558683390 /nfs/dbraw/zinc/68/33/90/558683390.db2.gz NZPAJOOKDLNRME-UHFFFAOYSA-N 0 0 423.969 6.164 50 0 HKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cc(C)ccc2C)nn1 ZINC000011025571 558684186 /nfs/dbraw/zinc/68/41/86/558684186.db2.gz IOFZTIUJYBNGDR-UHFFFAOYSA-N 0 0 409.605 6.546 50 0 HKAARN O=c1c2c(nc(SCc3c(F)cccc3Cl)n1Cc1ccccc1)CCS2 ZINC000011025580 558684164 /nfs/dbraw/zinc/68/41/64/558684164.db2.gz PMPOYZRSGLVHJN-UHFFFAOYSA-N 0 0 418.946 5.025 50 0 HKAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000011027396 558691465 /nfs/dbraw/zinc/69/14/65/558691465.db2.gz LJSZKWZWCMOCAC-QGZVFWFLSA-N 0 0 418.522 5.019 50 0 HKAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000011027397 558691524 /nfs/dbraw/zinc/69/15/24/558691524.db2.gz LJSZKWZWCMOCAC-KRWDZBQOSA-N 0 0 418.522 5.019 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000011027540 558691884 /nfs/dbraw/zinc/69/18/84/558691884.db2.gz OFMRMLQLLONCMM-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(OC(C)C)n1 ZINC000011027699 558692503 /nfs/dbraw/zinc/69/25/03/558692503.db2.gz NGZIRCILMACOMD-UHFFFAOYSA-N 0 0 411.893 5.613 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000011059267 558720840 /nfs/dbraw/zinc/72/08/40/558720840.db2.gz YGMRXRLGTPUWGM-UHFFFAOYSA-N 0 0 424.715 5.467 50 0 HKAARN COc1cc(Cl)c(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000011065854 558730164 /nfs/dbraw/zinc/73/01/64/558730164.db2.gz QPRLWNSQKGMSQG-GQCTYLIASA-N 0 0 420.214 5.681 50 0 HKAARN COc1cc(Cl)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1OC ZINC000011066513 558729264 /nfs/dbraw/zinc/72/92/64/558729264.db2.gz HESVHLQSJSPUCJ-UHFFFAOYSA-N 0 0 416.909 5.059 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071459 558739627 /nfs/dbraw/zinc/73/96/27/558739627.db2.gz GSTQNOXHPACLKL-UHFFFAOYSA-N 0 0 401.293 5.169 50 0 HKAARN COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)ccc1OCC(C)C ZINC000011072898 558747397 /nfs/dbraw/zinc/74/73/97/558747397.db2.gz CWQHMIVJVUSOJK-UHFFFAOYSA-N 0 0 404.510 5.141 50 0 HKAARN O=C(COc1cc(Cl)ccc1Cl)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011075956 558748282 /nfs/dbraw/zinc/74/82/82/558748282.db2.gz BBUSTRJUCYGHGH-UHFFFAOYSA-N 0 0 401.293 5.169 50 0 HKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000011083625 558753780 /nfs/dbraw/zinc/75/37/80/558753780.db2.gz XVJGBNMJDASVFW-UHFFFAOYSA-N 0 0 405.885 5.117 50 0 HKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000011083722 558753769 /nfs/dbraw/zinc/75/37/69/558753769.db2.gz IYRQRWILGROLCV-UHFFFAOYSA-N 0 0 423.607 5.072 50 0 HKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)c1 ZINC000011088919 558754231 /nfs/dbraw/zinc/75/42/31/558754231.db2.gz DVWXHGIIIICBTK-KRWDZBQOSA-N 0 0 406.913 5.702 50 0 HKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)c1 ZINC000011088920 558754274 /nfs/dbraw/zinc/75/42/74/558754274.db2.gz DVWXHGIIIICBTK-QGZVFWFLSA-N 0 0 406.913 5.702 50 0 HKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C/c2cccc(F)c2)c1 ZINC000011088967 558754492 /nfs/dbraw/zinc/75/44/92/558754492.db2.gz PQWLHJXGOXXGFQ-IQGVVSCOSA-N 0 0 416.496 5.587 50 0 HKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)/C=C/c2cccc(F)c2)c1 ZINC000011088968 558754525 /nfs/dbraw/zinc/75/45/25/558754525.db2.gz PQWLHJXGOXXGFQ-JUWJPQTCSA-N 0 0 416.496 5.587 50 0 HKAARN O=C(CSc1nncn1CCc1cccs1)c1ccc2c(c1)-c1ccccc1C2 ZINC000011105850 558800398 /nfs/dbraw/zinc/80/03/98/558800398.db2.gz NPNNQGXHAVUYBQ-UHFFFAOYSA-N 0 0 417.559 5.129 50 0 HKAARN Cc1cc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2Cl)no1 ZINC000011117239 558837390 /nfs/dbraw/zinc/83/73/90/558837390.db2.gz LEPDUTVBKMZMIH-UHFFFAOYSA-N 0 0 412.276 6.066 50 0 HKAARN Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2ccc(C)cc2)CCC4)no1 ZINC000011117447 558837371 /nfs/dbraw/zinc/83/73/71/558837371.db2.gz DACBYFIBLVDYSF-UHFFFAOYSA-N 0 0 403.507 5.618 50 0 HKAARN Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2cccs2)CCCC4)no1 ZINC000011122560 558853791 /nfs/dbraw/zinc/85/37/91/558853791.db2.gz HJSVGWMPTBMWKI-UHFFFAOYSA-N 0 0 409.536 5.761 50 0 HKAARN Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2ccco2)CC[C@@H](C)C4)no1 ZINC000011122790 558853617 /nfs/dbraw/zinc/85/36/17/558853617.db2.gz QOTULEMROCJEDG-LLVKDONJSA-N 0 0 407.495 5.538 50 0 HKAARN Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2ccco2)CC[C@H](C)C4)no1 ZINC000011122792 558853664 /nfs/dbraw/zinc/85/36/64/558853664.db2.gz QOTULEMROCJEDG-NSHDSACASA-N 0 0 407.495 5.538 50 0 HKAARN CCCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccccc1 ZINC000011138906 558860478 /nfs/dbraw/zinc/86/04/78/558860478.db2.gz ZWGOWDMDHSIVCS-UHFFFAOYSA-N 0 0 404.539 5.305 50 0 HKAARN Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc4c(c3)CCCC4)sc2c(C)c1 ZINC000011141110 569039404 /nfs/dbraw/zinc/03/94/04/569039404.db2.gz AQXSGYJLYZEFRN-NRFANRHFSA-N 0 0 420.578 5.618 50 0 HKAARN Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)CCCC4)sc2c(C)c1 ZINC000011141111 569039434 /nfs/dbraw/zinc/03/94/34/569039434.db2.gz AQXSGYJLYZEFRN-OAQYLSRUSA-N 0 0 420.578 5.618 50 0 HKAARN CSc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2cc(C)cc(C)c2s1 ZINC000011141620 569039403 /nfs/dbraw/zinc/03/94/03/569039403.db2.gz IBBCSUBBOFCCRC-INIZCTEOSA-N 0 0 412.580 5.461 50 0 HKAARN CSc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2cc(C)cc(C)c2s1 ZINC000011141623 558865798 /nfs/dbraw/zinc/86/57/98/558865798.db2.gz IBBCSUBBOFCCRC-MRXNPFEDSA-N 0 0 412.580 5.461 50 0 HKAARN CSc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)c(C)ccc3C)c1 ZINC000011143343 558865869 /nfs/dbraw/zinc/86/58/69/558865869.db2.gz GZGXGLKNQPDMRE-KRWDZBQOSA-N 0 0 412.580 5.461 50 0 HKAARN CSc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)c(C)ccc3C)c1 ZINC000011143345 558865802 /nfs/dbraw/zinc/86/58/02/558865802.db2.gz GZGXGLKNQPDMRE-QGZVFWFLSA-N 0 0 412.580 5.461 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000011147781 558867987 /nfs/dbraw/zinc/86/79/87/558867987.db2.gz LPUOKUQADHKBQU-UHFFFAOYSA-N 0 0 418.472 5.128 50 0 HKAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccs1 ZINC000011150573 558870931 /nfs/dbraw/zinc/87/09/31/558870931.db2.gz DIHYXXOSSUIEKO-HNNXBMFYSA-N 0 0 419.959 5.039 50 0 HKAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccs1 ZINC000011150575 558870891 /nfs/dbraw/zinc/87/08/91/558870891.db2.gz DIHYXXOSSUIEKO-OAHLLOKOSA-N 0 0 419.959 5.039 50 0 HKAARN Cc1c2nc(N(C[C@@H]3CCCO3)C(=O)c3cccc(Cl)c3)sc2ccc1Cl ZINC000011159005 558894866 /nfs/dbraw/zinc/89/48/66/558894866.db2.gz QWMZLPJFHMFESE-HNNXBMFYSA-N 0 0 421.349 5.737 50 0 HKAARN Cc1c2nc(N(C[C@H]3CCCO3)C(=O)c3cccc(Cl)c3)sc2ccc1Cl ZINC000011159022 558894883 /nfs/dbraw/zinc/89/48/83/558894883.db2.gz QWMZLPJFHMFESE-OAHLLOKOSA-N 0 0 421.349 5.737 50 0 HKAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011181692 558930317 /nfs/dbraw/zinc/93/03/17/558930317.db2.gz GLCRZUJEEXADGQ-UHFFFAOYSA-N 0 0 416.477 5.012 50 0 HKAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000011193628 558932636 /nfs/dbraw/zinc/93/26/36/558932636.db2.gz PSYBOQZSOOPKHW-HSZRJFAPSA-N 0 0 423.900 5.086 50 0 HKAARN CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000011193629 558932670 /nfs/dbraw/zinc/93/26/70/558932670.db2.gz PSYBOQZSOOPKHW-QHCPKHFHSA-N 0 0 423.900 5.086 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011203265 558263163 /nfs/dbraw/zinc/26/31/63/558263163.db2.gz OCMJHHJBZKNVLD-LBPRGKRZSA-N 0 0 419.264 5.245 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011203273 558263151 /nfs/dbraw/zinc/26/31/51/558263151.db2.gz OCMJHHJBZKNVLD-GFCCVEGCSA-N 0 0 419.264 5.245 50 0 HKAARN Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc2ccccc2nc1Cl ZINC000011205317 558947350 /nfs/dbraw/zinc/94/73/50/558947350.db2.gz CWMLLCCOHJBCGH-UHFFFAOYSA-N 0 0 422.868 5.429 50 0 HKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1c[nH]c2ccccc21 ZINC000011209189 558263049 /nfs/dbraw/zinc/26/30/49/558263049.db2.gz AXVDKQHIVRKMKN-UHFFFAOYSA-N 0 0 416.531 5.452 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cn2cncn2)cc1 ZINC000011216352 527251178 /nfs/dbraw/zinc/25/11/78/527251178.db2.gz BYMLZSDXXTUFJU-UHFFFAOYSA-N 0 0 404.857 5.024 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000011223560 558891349 /nfs/dbraw/zinc/89/13/49/558891349.db2.gz GBDDAIFLYTUHBU-UHFFFAOYSA-N 0 0 417.534 5.767 50 0 HKAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000011231056 558892922 /nfs/dbraw/zinc/89/29/22/558892922.db2.gz WJAFNDNPNAOGQM-UHFFFAOYSA-N 0 0 409.869 5.186 50 0 HKAARN CCCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC000011240372 558989201 /nfs/dbraw/zinc/98/92/01/558989201.db2.gz VBNYMDZAHDOXCS-UHFFFAOYSA-N 0 0 406.511 5.221 50 0 HKAARN CCCOc1ccccc1NC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 ZINC000011240396 558989155 /nfs/dbraw/zinc/98/91/55/558989155.db2.gz HDOJBMQHBJCGGT-VAWYXSNFSA-N 0 0 408.523 5.471 50 0 HKAARN S=c1n(CN(Cc2cccnc2)C2CC2)nc(-c2cccs2)n1-c1ccccc1 ZINC000011246383 559001567 /nfs/dbraw/zinc/00/15/67/559001567.db2.gz DMVYNMROCISKFV-UHFFFAOYSA-N 0 0 419.579 5.149 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011246816 559004427 /nfs/dbraw/zinc/00/44/27/559004427.db2.gz GNXWZSZTIOBVAW-UHFFFAOYSA-N 0 0 409.367 5.675 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000011246833 559005548 /nfs/dbraw/zinc/00/55/48/559005548.db2.gz GFLFJQKARCFNHU-UHFFFAOYSA-N 0 0 411.820 5.252 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(Cl)cc1Cl ZINC000011247575 559008431 /nfs/dbraw/zinc/00/84/31/559008431.db2.gz AQVICCMLYCLNNQ-UHFFFAOYSA-N 0 0 409.700 5.551 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1Cl ZINC000011248002 559009458 /nfs/dbraw/zinc/00/94/58/559009458.db2.gz XGOKNFXFNVZNKT-UHFFFAOYSA-N 0 0 411.820 5.252 50 0 HKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 ZINC000011248325 559009620 /nfs/dbraw/zinc/00/96/20/559009620.db2.gz XFJISQMCYRNACI-UHFFFAOYSA-N 0 0 413.355 5.191 50 0 HKAARN CCCCn1c2ccc(C(F)(F)F)cc2nc1S[C@H](C(N)=O)c1ccccc1 ZINC000011251381 559014597 /nfs/dbraw/zinc/01/45/97/559014597.db2.gz JWWKOADLODSOKT-KRWDZBQOSA-N 0 0 407.461 5.174 50 0 HKAARN CCCCn1c2ccc(C(F)(F)F)cc2nc1S[C@@H](C(N)=O)c1ccccc1 ZINC000011251388 559014721 /nfs/dbraw/zinc/01/47/21/559014721.db2.gz JWWKOADLODSOKT-QGZVFWFLSA-N 0 0 407.461 5.174 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1Br ZINC000011255921 132347982 /nfs/dbraw/zinc/34/79/82/132347982.db2.gz PAAUEPVQZHRKCL-UHFFFAOYSA-N 0 0 410.315 5.240 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)o2)cc1 ZINC000011256057 559015007 /nfs/dbraw/zinc/01/50/07/559015007.db2.gz LALVOZVJQCVDJA-UHFFFAOYSA-N 0 0 423.900 5.002 50 0 HKAARN COc1ccc(-c2nnc(SCc3nc(-c4cccs4)oc3C)o2)c(OC)c1 ZINC000011262528 559017652 /nfs/dbraw/zinc/01/76/52/559017652.db2.gz NDACPBKIEDBTIH-UHFFFAOYSA-N 0 0 415.496 5.071 50 0 HKAARN Cc1cc(-c2nn3c(nnc3-c3cccc(Br)c3)s2)c2ccccc2n1 ZINC000011279684 559024264 /nfs/dbraw/zinc/02/42/64/559024264.db2.gz HJUSYZLQNZQYFD-UHFFFAOYSA-N 0 0 422.311 5.139 50 0 HKAARN COc1ccc(Oc2cc(NC(=O)c3ccc(Br)o3)ccc2OC)cc1 ZINC000011292348 559050470 /nfs/dbraw/zinc/05/04/70/559050470.db2.gz YVJGSKKCAFBWLR-UHFFFAOYSA-N 0 0 418.243 5.104 50 0 HKAARN Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(CC(C)C)c1C ZINC000011305648 559050653 /nfs/dbraw/zinc/05/06/53/559050653.db2.gz QRMDYLQZPYNMSE-HNNXBMFYSA-N 0 0 403.617 5.166 50 0 HKAARN Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n(CC(C)C)c1C ZINC000011305655 559050676 /nfs/dbraw/zinc/05/06/76/559050676.db2.gz QRMDYLQZPYNMSE-OAHLLOKOSA-N 0 0 403.617 5.166 50 0 HKAARN CN(C(=O)CSc1ncnc2sccc21)C(c1ccccc1)c1ccccc1 ZINC000011305975 559050663 /nfs/dbraw/zinc/05/06/63/559050663.db2.gz BTGHXDOAMBAWEF-UHFFFAOYSA-N 0 0 405.548 5.031 50 0 HKAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC000011309214 558263301 /nfs/dbraw/zinc/26/33/01/558263301.db2.gz ZKBVAPCTCACPGX-UHFFFAOYSA-N 0 0 412.440 5.640 50 0 HKAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCc1ccccn1 ZINC000011321511 559052408 /nfs/dbraw/zinc/05/24/08/559052408.db2.gz NTIMLFVKDOMGCU-UHFFFAOYSA-N 0 0 423.925 5.043 50 0 HKAARN CSc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000011326402 559052407 /nfs/dbraw/zinc/05/24/07/559052407.db2.gz SDUYOZKEHJATIR-UHFFFAOYSA-N 0 0 407.322 5.942 50 0 HKAARN CSc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000011326417 559052421 /nfs/dbraw/zinc/05/24/21/559052421.db2.gz ZPBJHIGWKDJUDB-UHFFFAOYSA-N 0 0 414.530 6.302 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(Cl)ccc1OC ZINC000011326756 559052594 /nfs/dbraw/zinc/05/25/94/559052594.db2.gz INSSMIKNNQWBLF-UHFFFAOYSA-N 0 0 412.902 5.094 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000011327481 559053090 /nfs/dbraw/zinc/05/30/90/559053090.db2.gz KPRIBINRXPYIRF-UHFFFAOYSA-N 0 0 418.280 5.178 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2ccccc2s1 ZINC000011327723 559053126 /nfs/dbraw/zinc/05/31/26/559053126.db2.gz NXRKORZUOCHJLC-UHFFFAOYSA-N 0 0 405.508 5.042 50 0 HKAARN CCOc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)sc2c1 ZINC000011327767 559053157 /nfs/dbraw/zinc/05/31/57/559053157.db2.gz SXNXROJVFYILOR-UHFFFAOYSA-N 0 0 411.458 5.060 50 0 HKAARN COc1ccc(-c2noc(CCC(=O)Nc3ccc4oc5ccccc5c4c3)n2)cc1 ZINC000011328992 559053094 /nfs/dbraw/zinc/05/30/94/559053094.db2.gz HQXYNGTXVOBAKS-UHFFFAOYSA-N 0 0 413.433 5.216 50 0 HKAARN NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000011329258 559053173 /nfs/dbraw/zinc/05/31/73/559053173.db2.gz FVFOCBSABFCTFQ-FQEVSTJZSA-N 0 0 407.926 5.057 50 0 HKAARN NC(=O)[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000011329261 559053175 /nfs/dbraw/zinc/05/31/75/559053175.db2.gz FVFOCBSABFCTFQ-HXUWFJFHSA-N 0 0 407.926 5.057 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)cc1 ZINC000011329562 559053168 /nfs/dbraw/zinc/05/31/68/559053168.db2.gz JUHNAOSWHAMVRX-UHFFFAOYSA-N 0 0 409.917 5.557 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(N2CCCCC2)cc1 ZINC000011329563 132348062 /nfs/dbraw/zinc/34/80/62/132348062.db2.gz AMJGUQBVBQKFJF-UHFFFAOYSA-N 0 0 411.452 5.181 50 0 HKAARN CCOc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000011330865 559053257 /nfs/dbraw/zinc/05/32/57/559053257.db2.gz VLUUMKOYNKXKHZ-UHFFFAOYSA-N 0 0 413.477 5.075 50 0 HKAARN O=C(CSc1ccccc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011340473 559056400 /nfs/dbraw/zinc/05/64/00/559056400.db2.gz FAFKPDYPUDAEJE-UHFFFAOYSA-N 0 0 413.546 5.007 50 0 HKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4c[nH]c5ccccc54)o3)cs2)cc1 ZINC000011347367 559057396 /nfs/dbraw/zinc/05/73/96/559057396.db2.gz AIMPGHALHLVNOR-UHFFFAOYSA-N 0 0 419.535 6.019 50 0 HKAARN COc1cccc(-c2nc(CSc3nnc(-c4c[nH]c5ccccc54)o3)cs2)c1 ZINC000011348115 559057400 /nfs/dbraw/zinc/05/74/00/559057400.db2.gz SIIHALSWRKRUAH-UHFFFAOYSA-N 0 0 420.519 5.642 50 0 HKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011360948 559060682 /nfs/dbraw/zinc/06/06/82/559060682.db2.gz PHRLDBYRYFHXEE-UHFFFAOYSA-N 0 0 400.434 5.363 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011360998 558263639 /nfs/dbraw/zinc/26/36/39/558263639.db2.gz MBSVYAHAKPMCOW-LBPRGKRZSA-N 0 0 419.264 5.245 50 0 HKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361362 559061511 /nfs/dbraw/zinc/06/15/11/559061511.db2.gz KPVWWLJOODOUBU-UHFFFAOYSA-N 0 0 409.492 5.278 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000011364486 559061782 /nfs/dbraw/zinc/06/17/82/559061782.db2.gz GLZLPJTZTONIFV-UHFFFAOYSA-N 0 0 415.223 5.196 50 0 HKAARN Cc1cc(-c2cc(C(=O)N3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011367936 559062121 /nfs/dbraw/zinc/06/21/21/559062121.db2.gz UQXVISWIEMNKOS-UHFFFAOYSA-N 0 0 400.482 5.092 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(F)c1F ZINC000011370776 559062380 /nfs/dbraw/zinc/06/23/80/559062380.db2.gz QQKFPPYRPQGSAL-UHFFFAOYSA-N 0 0 415.198 5.637 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011372940 559067091 /nfs/dbraw/zinc/06/70/91/559067091.db2.gz SVNXHAHBUSXUIE-UHFFFAOYSA-N 0 0 410.424 5.420 50 0 HKAARN Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(Cl)cc3C)nc12 ZINC000011373844 559067217 /nfs/dbraw/zinc/06/72/17/559067217.db2.gz VRQBRYNJHKLIOV-UHFFFAOYSA-N 0 0 405.885 5.436 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1Cl ZINC000011373995 559067193 /nfs/dbraw/zinc/06/71/93/559067193.db2.gz NIODTBWRBQHLHW-UHFFFAOYSA-N 0 0 421.884 5.136 50 0 HKAARN Cc1cccn2cc(COc3ccccc3C(=O)Nc3cc(Cl)ccc3C)nc12 ZINC000011374022 559067205 /nfs/dbraw/zinc/06/72/05/559067205.db2.gz RZVUEQUNFUORKE-UHFFFAOYSA-N 0 0 405.885 5.436 50 0 HKAARN Cc1oc(-c2cccs2)nc1CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000011376257 559067228 /nfs/dbraw/zinc/06/72/28/559067228.db2.gz QPWGNXHIVJYNKX-UHFFFAOYSA-N 0 0 420.519 5.845 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(F)cc1Cl ZINC000011376329 559067355 /nfs/dbraw/zinc/06/73/55/559067355.db2.gz GEYKWTZIOCWNGF-UHFFFAOYSA-N 0 0 400.866 5.225 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc3cccnc32)c(OC)c1 ZINC000011376412 536666785 /nfs/dbraw/zinc/66/67/85/536666785.db2.gz QJSNCHPQBFPOLL-XMMPIXPASA-N 0 0 411.461 5.023 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc3cccnc32)c(OC)c1 ZINC000011376420 536666708 /nfs/dbraw/zinc/66/67/08/536666708.db2.gz QJSNCHPQBFPOLL-DEOSSOPVSA-N 0 0 411.461 5.023 50 0 HKAARN CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cc2ccccc2o1 ZINC000011410907 560772099 /nfs/dbraw/zinc/77/20/99/560772099.db2.gz QBJKBGHNFZGADX-UHFFFAOYSA-N 0 0 416.506 5.178 50 0 HKAARN CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)c1ccccc1 ZINC000011411744 559074286 /nfs/dbraw/zinc/07/42/86/559074286.db2.gz OYHPXOGMNRTVDS-NRFANRHFSA-N 0 0 408.523 5.373 50 0 HKAARN CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)c1ccccc1 ZINC000011411756 559074215 /nfs/dbraw/zinc/07/42/15/559074215.db2.gz OYHPXOGMNRTVDS-OAQYLSRUSA-N 0 0 408.523 5.373 50 0 HKAARN Cc1ccccc1CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416375 559073901 /nfs/dbraw/zinc/07/39/01/559073901.db2.gz MZHYHAKIVVTEJH-GOSISDBHSA-N 0 0 410.562 5.554 50 0 HKAARN Cc1ccccc1CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416376 559073875 /nfs/dbraw/zinc/07/38/75/559073875.db2.gz MZHYHAKIVVTEJH-SFHVURJKSA-N 0 0 410.562 5.554 50 0 HKAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000011418562 559074040 /nfs/dbraw/zinc/07/40/40/559074040.db2.gz IFYOFEJIKICCKS-UHFFFAOYSA-N 0 0 415.276 5.633 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(Cl)cc1F ZINC000011425542 559075785 /nfs/dbraw/zinc/07/57/85/559075785.db2.gz NXWNCMOVBDGTQC-UHFFFAOYSA-N 0 0 400.866 5.225 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1c(C)cccc1C(C)C ZINC000011429132 559075809 /nfs/dbraw/zinc/07/58/09/559075809.db2.gz GKFUANDWABMGSX-UHFFFAOYSA-N 0 0 404.539 5.864 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(Cl)cc1Cl ZINC000011430212 559075913 /nfs/dbraw/zinc/07/59/13/559075913.db2.gz YFDZYIYUOXJSFT-UHFFFAOYSA-N 0 0 409.700 5.551 50 0 HKAARN O[C@@H](CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 ZINC000011431220 560772147 /nfs/dbraw/zinc/77/21/47/560772147.db2.gz FFXFGQNHHURWIA-NRFANRHFSA-N 0 0 421.953 5.473 50 0 HKAARN O[C@H](CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 ZINC000011431222 560772127 /nfs/dbraw/zinc/77/21/27/560772127.db2.gz FFXFGQNHHURWIA-OAQYLSRUSA-N 0 0 421.953 5.473 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3ccc(C)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011431994 559076010 /nfs/dbraw/zinc/07/60/10/559076010.db2.gz DGUBBDMMCFHVKQ-UHFFFAOYSA-N 0 0 406.461 5.589 50 0 HKAARN Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc(C(C)C)cc2C(C)C)cs1 ZINC000011436715 559076101 /nfs/dbraw/zinc/07/61/01/559076101.db2.gz AQPRLMZIFNXLQA-UHFFFAOYSA-N 0 0 415.584 5.227 50 0 HKAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cc(Cl)cc(Cl)c1 ZINC000011451392 559076903 /nfs/dbraw/zinc/07/69/03/559076903.db2.gz FTARLMRXFYMCHA-UHFFFAOYSA-N 0 0 418.305 5.254 50 0 HKAARN O=C(Nc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1)c1ccco1 ZINC000011452553 559077017 /nfs/dbraw/zinc/07/70/17/559077017.db2.gz YDJSSGMJHGGLDC-UHFFFAOYSA-N 0 0 402.494 5.017 50 0 HKAARN Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1NC(=O)c1ccco1 ZINC000011452574 559077056 /nfs/dbraw/zinc/07/70/56/559077056.db2.gz NKAFAWCDIUHNMF-UHFFFAOYSA-N 0 0 416.521 5.325 50 0 HKAARN CCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)[nH]1 ZINC000011467401 535464768 /nfs/dbraw/zinc/46/47/68/535464768.db2.gz FNEJDNYLUKIRLR-UHFFFAOYSA-N 0 0 416.959 5.332 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC000011469890 559077756 /nfs/dbraw/zinc/07/77/56/559077756.db2.gz NKQJWZFRSBACSC-UHFFFAOYSA-N 0 0 404.539 5.557 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1Oc1ccccc1 ZINC000011475338 559077887 /nfs/dbraw/zinc/07/78/87/559077887.db2.gz VJDYJBSGKNPBFD-UHFFFAOYSA-N 0 0 402.425 5.844 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3c(C)cccc3C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000011479595 559077945 /nfs/dbraw/zinc/07/79/45/559077945.db2.gz JMXUFNRTWREZFH-UHFFFAOYSA-N 0 0 402.498 5.758 50 0 HKAARN O=C(CSc1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000011481261 560772285 /nfs/dbraw/zinc/77/22/85/560772285.db2.gz APRVZSWUUYASCH-HNNXBMFYSA-N 0 0 402.928 5.465 50 0 HKAARN O=C(CSc1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000011481262 560772238 /nfs/dbraw/zinc/77/22/38/560772238.db2.gz APRVZSWUUYASCH-OAHLLOKOSA-N 0 0 402.928 5.465 50 0 HKAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(C)c(F)c1 ZINC000011497591 559078577 /nfs/dbraw/zinc/07/85/77/559078577.db2.gz KFPGCZKBUNWESP-UHFFFAOYSA-N 0 0 404.441 5.723 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000011504260 559078768 /nfs/dbraw/zinc/07/87/68/559078768.db2.gz JFXBFVFDYYKHNL-UHFFFAOYSA-N 0 0 419.840 5.454 50 0 HKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000011504273 559078809 /nfs/dbraw/zinc/07/88/09/559078809.db2.gz YAQCMIAHIZLLSO-UHFFFAOYSA-N 0 0 419.840 5.454 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000011504279 559078910 /nfs/dbraw/zinc/07/89/10/559078910.db2.gz MVTZJZMQUKVLET-UHFFFAOYSA-N 0 0 401.850 5.315 50 0 HKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc[nH]c1=S ZINC000011518446 523195166 /nfs/dbraw/zinc/19/51/66/523195166.db2.gz LMQRXGCTJOOVDP-UHFFFAOYSA-N 0 0 403.301 5.039 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000011521856 559087484 /nfs/dbraw/zinc/08/74/84/559087484.db2.gz GFWSWZPANKQRRV-QGZVFWFLSA-N 0 0 424.522 5.076 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000011521861 526527311 /nfs/dbraw/zinc/52/73/11/526527311.db2.gz GFWSWZPANKQRRV-KRWDZBQOSA-N 0 0 424.522 5.076 50 0 HKAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000011526554 559087576 /nfs/dbraw/zinc/08/75/76/559087576.db2.gz ZQJHMHNOUOPSKG-UHFFFAOYSA-N 0 0 421.453 5.131 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000011549047 559089205 /nfs/dbraw/zinc/08/92/05/559089205.db2.gz AHQLHNUJPYDPRB-VWLOTQADSA-N 0 0 415.533 5.590 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000011549048 559089232 /nfs/dbraw/zinc/08/92/32/559089232.db2.gz AHQLHNUJPYDPRB-RUZDIDTESA-N 0 0 415.533 5.590 50 0 HKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000011571684 559111271 /nfs/dbraw/zinc/11/12/71/559111271.db2.gz FSFKWDDKELTRIE-UHFFFAOYSA-N 0 0 423.520 5.095 50 0 HKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000011572549 559111249 /nfs/dbraw/zinc/11/12/49/559111249.db2.gz VVOJDERDZNOCSS-UHFFFAOYSA-N 0 0 405.523 5.161 50 0 HKAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nncs2)cc1 ZINC000011577797 559111480 /nfs/dbraw/zinc/11/14/80/559111480.db2.gz UBGUKQBPBAJOCC-UHFFFAOYSA-N 0 0 421.931 5.113 50 0 HKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585577 560772358 /nfs/dbraw/zinc/77/23/58/560772358.db2.gz PCWXSTAPIJJDSL-GOSISDBHSA-N 0 0 422.941 5.626 50 0 HKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000011585580 559112287 /nfs/dbraw/zinc/11/22/87/559112287.db2.gz PCWXSTAPIJJDSL-SFHVURJKSA-N 0 0 422.941 5.626 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc32)cs1 ZINC000011596110 559113452 /nfs/dbraw/zinc/11/34/52/559113452.db2.gz NERFUWBCQRWXJH-UHFFFAOYSA-N 0 0 422.531 5.265 50 0 HKAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000011596459 559112819 /nfs/dbraw/zinc/11/28/19/559112819.db2.gz DJHPYTKWAOZJCV-UHFFFAOYSA-N 0 0 413.546 5.720 50 0 HKAARN COc1cc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1Cl ZINC000011601491 559113057 /nfs/dbraw/zinc/11/30/57/559113057.db2.gz UTVMPDMZQVAFDS-UHFFFAOYSA-N 0 0 420.296 5.065 50 0 HKAARN CSCC[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000011605918 560772919 /nfs/dbraw/zinc/77/29/19/560772919.db2.gz HCJILUZBGHKPKB-INIZCTEOSA-N 0 0 407.511 5.102 50 0 HKAARN Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc(Cl)c4C)c3)cn2c1 ZINC000011608828 559113419 /nfs/dbraw/zinc/11/34/19/559113419.db2.gz KRIGWPNANIWXDQ-UHFFFAOYSA-N 0 0 405.885 5.436 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000011612225 559113669 /nfs/dbraw/zinc/11/36/69/559113669.db2.gz OTYKNVSRTPIFLP-UHFFFAOYSA-N 0 0 420.490 5.348 50 0 HKAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 ZINC000011613273 559113950 /nfs/dbraw/zinc/11/39/50/559113950.db2.gz FDVYIDUXPNXEDZ-UHFFFAOYSA-N 0 0 415.856 5.364 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc(C)n1 ZINC000011613281 560772911 /nfs/dbraw/zinc/77/29/11/560772911.db2.gz UCXJNOFGJCSCOG-UHFFFAOYSA-N 0 0 421.501 5.278 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)cc(OC(C)C)n1 ZINC000011613282 560772907 /nfs/dbraw/zinc/77/29/07/560772907.db2.gz WEIUJWOTQCOSLX-UHFFFAOYSA-N 0 0 409.465 5.407 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 ZINC000011613283 560772888 /nfs/dbraw/zinc/77/28/88/560772888.db2.gz WAFYIQNOXCLDBK-UHFFFAOYSA-N 0 0 421.501 5.277 50 0 HKAARN CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000011613289 560772931 /nfs/dbraw/zinc/77/29/31/560772931.db2.gz BGNLXYBSMWZKEP-UHFFFAOYSA-N 0 0 421.501 5.359 50 0 HKAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(C)cc2)no1 ZINC000011614344 558264521 /nfs/dbraw/zinc/26/45/21/558264521.db2.gz LALHEPIQCOFFLC-HXUWFJFHSA-N 0 0 420.852 5.109 50 0 HKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O ZINC000011614383 559113554 /nfs/dbraw/zinc/11/35/54/559113554.db2.gz UMDGPMUDKFXSRJ-FQEVSTJZSA-N 0 0 420.852 5.055 50 0 HKAARN CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O ZINC000011614384 559113540 /nfs/dbraw/zinc/11/35/40/559113540.db2.gz UMDGPMUDKFXSRJ-HXUWFJFHSA-N 0 0 420.852 5.055 50 0 HKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000011614460 559113739 /nfs/dbraw/zinc/11/37/39/559113739.db2.gz ICCBENWFUAGHID-NRFANRHFSA-N 0 0 401.849 5.505 50 0 HKAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000011614461 559113750 /nfs/dbraw/zinc/11/37/50/559113750.db2.gz ICCBENWFUAGHID-OAQYLSRUSA-N 0 0 401.849 5.505 50 0 HKAARN COc1cccc(C(=O)c2oc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c1 ZINC000011614595 559114114 /nfs/dbraw/zinc/11/41/14/559114114.db2.gz FTOJUGIKLKZCSL-UHFFFAOYSA-N 0 0 412.367 5.335 50 0 HKAARN COCCNc1oc2c(c1-c1ccc(Br)cc1)c(=O)oc1ccccc21 ZINC000011614791 559114595 /nfs/dbraw/zinc/11/45/95/559114595.db2.gz PMWWDSGIVAUCER-UHFFFAOYSA-N 0 0 414.255 5.027 50 0 HKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc2ccccc21 ZINC000011617271 559115673 /nfs/dbraw/zinc/11/56/73/559115673.db2.gz JFAKNXQNIMQBOV-UHFFFAOYSA-N 0 0 415.337 6.040 50 0 HKAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Br)cc1 ZINC000011617337 558264852 /nfs/dbraw/zinc/26/48/52/558264852.db2.gz BQUISQHZWCSHNF-UHFFFAOYSA-N 0 0 412.106 5.074 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1OC ZINC000011617343 559115643 /nfs/dbraw/zinc/11/56/43/559115643.db2.gz INAZUDYSERHDNN-UHFFFAOYSA-N 0 0 415.323 5.448 50 0 HKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1c(F)cccc1F ZINC000011617346 559115662 /nfs/dbraw/zinc/11/56/62/559115662.db2.gz DACMSVAUXCZPFA-UHFFFAOYSA-N 0 0 416.221 5.211 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000011617413 559115637 /nfs/dbraw/zinc/11/56/37/559115637.db2.gz ITFUXBMYIJWHBU-UHFFFAOYSA-N 0 0 414.317 5.846 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cc(Cl)ccc1Cl ZINC000011617415 559115650 /nfs/dbraw/zinc/11/56/50/559115650.db2.gz QKSSAOLDRVWDNQ-UHFFFAOYSA-N 0 0 419.120 6.071 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2Cl)s1 ZINC000011617417 559115636 /nfs/dbraw/zinc/11/56/36/559115636.db2.gz KNINMCWZFWMJOP-UHFFFAOYSA-N 0 0 414.701 5.183 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000011617419 559115664 /nfs/dbraw/zinc/11/56/64/559115664.db2.gz UGWJNGHCYZABPO-UHFFFAOYSA-N 0 0 418.227 5.783 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000011617472 559115207 /nfs/dbraw/zinc/11/52/07/559115207.db2.gz RDWMNWATVOLMHU-UHFFFAOYSA-N 0 0 420.921 6.148 50 0 HKAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011618692 559115393 /nfs/dbraw/zinc/11/53/93/559115393.db2.gz OCZLTFLHMRMXEU-UHFFFAOYSA-N 0 0 404.819 6.076 50 0 HKAARN Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(Br)c1 ZINC000011620736 559115564 /nfs/dbraw/zinc/11/55/64/559115564.db2.gz CQVLZYISPLVKMW-UHFFFAOYSA-N 0 0 422.754 5.062 50 0 HKAARN Cc1cc2cc(CCNC(=O)CC(c3ccccc3)c3ccccc3)c(=O)[nH]c2cc1C ZINC000011634935 559118178 /nfs/dbraw/zinc/11/81/78/559118178.db2.gz PSWYDAFRNZLVLM-UHFFFAOYSA-N 0 0 424.544 5.026 50 0 HKAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(Nc2nc(C)cc(C)n2)c1 ZINC000011640317 560773155 /nfs/dbraw/zinc/77/31/55/560773155.db2.gz YBNKJWHBCRIZMB-UHFFFAOYSA-N 0 0 417.296 5.405 50 0 HKAARN Cc1cc(C)nc(Nc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1 ZINC000011640410 560773167 /nfs/dbraw/zinc/77/31/67/560773167.db2.gz WLLUHPUXKVAKRM-UHFFFAOYSA-N 0 0 422.532 5.998 50 0 HKAARN COc1ccc2c(c1)CCc1cc(C(=O)Nc3cc(OC)c(OC)cc3C)sc1-2 ZINC000011642103 559119134 /nfs/dbraw/zinc/11/91/34/559119134.db2.gz QWBLKUDPBMFMLG-UHFFFAOYSA-N 0 0 409.507 5.100 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3c(C)noc3n2)c(C)o1 ZINC000011649879 559119177 /nfs/dbraw/zinc/11/91/77/559119177.db2.gz XCERISWQHPITDX-UHFFFAOYSA-N 0 0 401.344 5.078 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1OCC ZINC000011655534 559122916 /nfs/dbraw/zinc/12/29/16/559122916.db2.gz XWBFVXKQSWRGCS-UHFFFAOYSA-N 0 0 403.569 5.605 50 0 HKAARN Cc1ccc2nc(COc3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)cn2c1 ZINC000011660425 559124074 /nfs/dbraw/zinc/12/40/74/559124074.db2.gz WHHADXVVITTYSK-UHFFFAOYSA-N 0 0 423.516 5.151 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2csc(C)n2)c(F)c1 ZINC000011661806 558265616 /nfs/dbraw/zinc/26/56/16/558265616.db2.gz XPSIXTYTPLUZRE-UHFFFAOYSA-N 0 0 422.529 5.084 50 0 HKAARN CC(C)CC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000011661895 558265602 /nfs/dbraw/zinc/26/56/02/558265602.db2.gz MJLSXPCBRPINSK-UHFFFAOYSA-N 0 0 403.526 5.058 50 0 HKAARN COc1cccc([C@H]2CCCCN2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662497 558266157 /nfs/dbraw/zinc/26/61/57/558266157.db2.gz GSNUIJIEOAKZPT-JOCHJYFZSA-N 0 0 410.489 5.534 50 0 HKAARN COc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662498 558266108 /nfs/dbraw/zinc/26/61/08/558266108.db2.gz GSNUIJIEOAKZPT-QFIPXVFZSA-N 0 0 410.489 5.534 50 0 HKAARN O=C(C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000011662528 558266203 /nfs/dbraw/zinc/26/62/03/558266203.db2.gz ALACVSBEXUHBHN-QHCPKHFHSA-N 0 0 414.892 5.178 50 0 HKAARN O=C(C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000011662529 558266240 /nfs/dbraw/zinc/26/62/40/558266240.db2.gz ALACVSBEXUHBHN-HSZRJFAPSA-N 0 0 414.892 5.178 50 0 HKAARN COc1ccc(CN(C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1OC ZINC000011662589 558266492 /nfs/dbraw/zinc/26/64/92/558266492.db2.gz PJCBVKGXOSJXDZ-UHFFFAOYSA-N 0 0 420.431 5.318 50 0 HKAARN O=C(c1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000011663570 558267319 /nfs/dbraw/zinc/26/73/19/558267319.db2.gz CDKCMPNSMMWVSJ-NRFANRHFSA-N 0 0 404.539 5.197 50 0 HKAARN O=C(c1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011663571 558267279 /nfs/dbraw/zinc/26/72/79/558267279.db2.gz CDKCMPNSMMWVSJ-OAQYLSRUSA-N 0 0 404.539 5.197 50 0 HKAARN CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)C1CCCCC1 ZINC000011664629 558268243 /nfs/dbraw/zinc/26/82/43/558268243.db2.gz NSRCDWPPHBYFQU-UHFFFAOYSA-N 0 0 407.461 5.486 50 0 HKAARN CC(C)c1nc2cc(C(=O)N[C@H](c3ccncc3)c3ccc(Cl)cc3)ccc2o1 ZINC000011665038 558268520 /nfs/dbraw/zinc/26/85/20/558268520.db2.gz PEKHRMCEGLDIGI-NRFANRHFSA-N 0 0 405.885 5.519 50 0 HKAARN CC(C)c1nc2cc(C(=O)N[C@@H](c3ccncc3)c3ccc(Cl)cc3)ccc2o1 ZINC000011665039 558268366 /nfs/dbraw/zinc/26/83/66/558268366.db2.gz PEKHRMCEGLDIGI-OAQYLSRUSA-N 0 0 405.885 5.519 50 0 HKAARN Cc1ccc(C2(c3noc(CN4CCCC[C@@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666545 558268948 /nfs/dbraw/zinc/26/89/48/558268948.db2.gz MARPKYFDRPVYMS-JOCHJYFZSA-N 0 0 402.542 5.360 50 0 HKAARN Cc1ccc(C2(c3noc(CN4CCCC[C@H]4c4ccccn4)n3)CCCC2)cc1 ZINC000011666551 558268824 /nfs/dbraw/zinc/26/88/24/558268824.db2.gz MARPKYFDRPVYMS-QFIPXVFZSA-N 0 0 402.542 5.360 50 0 HKAARN O=C(c1ccc2cccc(F)c2n1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011666843 558268931 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C(=C1\CCc2c1nc1c(c2-c2ccccc2)CC/C1=C\c1cccnc1)\c1cccnc1 ZINC000011667020 559150778 /nfs/dbraw/zinc/15/07/78/559150778.db2.gz GZFYTWPBLIQPNG-WPHIWBHXSA-N 0 0 413.524 6.512 50 0 HKAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(C(F)(F)F)c1 ZINC000011667083 559150915 /nfs/dbraw/zinc/15/09/15/559150915.db2.gz IEPPLKBOXAGYFL-UHFFFAOYSA-N 0 0 423.847 5.544 50 0 HKAARN CN(Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccco1 ZINC000011667120 569398948 /nfs/dbraw/zinc/39/89/48/569398948.db2.gz SSERKXWWSBBYNF-UHFFFAOYSA-N 0 0 401.510 5.247 50 0 HKAARN Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000011667121 558268936 /nfs/dbraw/zinc/26/89/36/558268936.db2.gz BKGLSQZYLCYNMS-UHFFFAOYSA-N 0 0 417.509 5.069 50 0 HKAARN Cc1cc(C)c(C)c(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1C ZINC000011667134 558269155 /nfs/dbraw/zinc/26/91/55/558269155.db2.gz XALBWDMQSRUCKF-UHFFFAOYSA-N 0 0 401.510 5.183 50 0 HKAARN CN(Cc1nc2ccccc2n1CCCOc1ccccc1Cl)C(=O)c1ccco1 ZINC000011667145 558269141 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/nfs/dbraw/zinc/17/80/38/559178038.db2.gz QDWVBWMDPVZNJO-UHFFFAOYSA-N 0 0 406.869 5.750 50 0 HKAARN CC(C)c1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)o3)s2)cc1 ZINC000011689994 559178019 /nfs/dbraw/zinc/17/80/19/559178019.db2.gz SRXDWYZOCLIXKO-UHFFFAOYSA-N 0 0 404.491 5.216 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000011690023 559178139 /nfs/dbraw/zinc/17/81/39/559178139.db2.gz NJQNVSIDUOMUFN-UHFFFAOYSA-N 0 0 416.786 6.419 50 0 HKAARN CC(C)c1ccc(Cc2cnc(NC(=O)c3cc(Br)cs3)s2)cc1 ZINC000011690088 559178125 /nfs/dbraw/zinc/17/81/25/559178125.db2.gz XCHICAQYMZAKBF-UHFFFAOYSA-N 0 0 421.385 5.934 50 0 HKAARN O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000011690118 559178273 /nfs/dbraw/zinc/17/82/73/559178273.db2.gz ILDNZIYDDBQYPE-XYOKQWHBSA-N 0 0 404.922 6.192 50 0 HKAARN Cc1ccc(-c2cc(-c3nn4c(nnc4-c4ccccc4)s3)c3ccccc3n2)cc1 ZINC000011690326 559178432 /nfs/dbraw/zinc/17/84/32/559178432.db2.gz HXUASGZROATICA-UHFFFAOYSA-N 0 0 419.513 6.043 50 0 HKAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)o2)cc1 ZINC000011690421 559178447 /nfs/dbraw/zinc/17/84/47/559178447.db2.gz VFKBKSCSIKHCDW-UHFFFAOYSA-N 0 0 416.546 6.182 50 0 HKAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)o2)cc1 ZINC000011690426 559178521 /nfs/dbraw/zinc/17/85/21/559178521.db2.gz HNKZZMFPMVNLQJ-UHFFFAOYSA-N 0 0 420.509 6.013 50 0 HKAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4ccccc4)s3)o2)cc1 ZINC000011690452 559178550 /nfs/dbraw/zinc/17/85/50/559178550.db2.gz HDCVEEBYVMHKDF-UHFFFAOYSA-N 0 0 402.519 5.874 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 ZINC000011690453 559178539 /nfs/dbraw/zinc/17/85/39/559178539.db2.gz ZLXVDYOYGKFNEZ-UHFFFAOYSA-N 0 0 416.546 6.182 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)cc1 ZINC000011690496 559178502 /nfs/dbraw/zinc/17/85/02/559178502.db2.gz VXXBFOLMFHKFIS-UHFFFAOYSA-N 0 0 416.546 6.128 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000011690610 559178537 /nfs/dbraw/zinc/17/85/37/559178537.db2.gz XPFTXKLAOOYXMK-HXUWFJFHSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000011690611 559178548 /nfs/dbraw/zinc/17/85/48/559178548.db2.gz XPFTXKLAOOYXMK-FQEVSTJZSA-N 0 0 412.272 5.700 50 0 HKAARN COc1cc(OC)c(NC(=O)c2nc(-c3ccccc3F)sc2C)cc1Cl ZINC000011691890 559185489 /nfs/dbraw/zinc/18/54/89/559185489.db2.gz AYOYYGSPHCXXIS-UHFFFAOYSA-N 0 0 406.866 5.181 50 0 HKAARN CCCCCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3c(C)c2oc1=O ZINC000011691918 559185543 /nfs/dbraw/zinc/18/55/43/559185543.db2.gz GTHDAEARZKUQMF-UHFFFAOYSA-N 0 0 410.513 7.709 50 0 HKAARN Cc1c2occ(-c3ccc4c(c3)OCO4)c2cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000011691930 569061417 /nfs/dbraw/zinc/06/14/17/569061417.db2.gz LTCHPGRXIIVSPW-UHFFFAOYSA-N 0 0 424.452 6.143 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2cc3c(cc2o1)occ3-c1ccc(Br)cc1 ZINC000011691932 559185570 /nfs/dbraw/zinc/18/55/70/559185570.db2.gz QHMPEMRCXPOPHN-UHFFFAOYSA-N 0 0 417.258 6.636 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5cc6ccccc6o5)c4cc23)cc1 ZINC000011691934 559185582 /nfs/dbraw/zinc/18/55/82/559185582.db2.gz BLEIRSOBFMDDNB-UHFFFAOYSA-N 0 0 422.436 6.936 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5cc6ccccc6o5)c4cc32)cc1 ZINC000011691935 559185566 /nfs/dbraw/zinc/18/55/66/559185566.db2.gz NSTLFTKOFNOYAL-UHFFFAOYSA-N 0 0 408.409 6.628 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc6ccccc6c5)c4cc32)cc1 ZINC000011691936 559185584 /nfs/dbraw/zinc/18/55/84/559185584.db2.gz GRBIQPFWGVRUAH-UHFFFAOYSA-N 0 0 418.448 7.035 50 0 biogenic HKAARN O=c1oc2cc3oc(-c4ccccc4)c(-c4ccc(Cl)cc4)c3cc2c2c1CCC2 ZINC000011691937 559185551 /nfs/dbraw/zinc/18/55/51/559185551.db2.gz ICOBETNDRQZMCH-UHFFFAOYSA-N 0 0 412.872 7.015 50 0 HKAARN COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)cc1 ZINC000011691980 559185292 /nfs/dbraw/zinc/18/52/92/559185292.db2.gz GJXJQIQMDKSZPP-UHFFFAOYSA-N 0 0 419.864 5.683 50 0 HKAARN Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1 ZINC000011691981 559185319 /nfs/dbraw/zinc/18/53/19/559185319.db2.gz JMNYHFDLLFWXOX-UHFFFAOYSA-N 0 0 424.283 6.328 50 0 HKAARN CC(C)n1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(=O)c1ccco1 ZINC000011691997 559185365 /nfs/dbraw/zinc/18/53/65/559185365.db2.gz SPIKJECJPWHJCY-UHFFFAOYSA-N 0 0 406.869 5.748 50 0 HKAARN COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(Cl)cc2)c1 ZINC000011692009 559185350 /nfs/dbraw/zinc/18/53/50/559185350.db2.gz AVPBTGNZZDMCJD-UHFFFAOYSA-N 0 0 421.905 5.843 50 0 HKAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000011692099 559185877 /nfs/dbraw/zinc/18/58/77/559185877.db2.gz PUMRJDHPDJCCOH-UHFFFAOYSA-N 0 0 410.477 5.542 50 0 HKAARN COc1cccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)c1 ZINC000011692199 559186342 /nfs/dbraw/zinc/18/63/42/559186342.db2.gz UYRJKTOFWDSNQB-UHFFFAOYSA-N 0 0 422.492 5.620 50 0 HKAARN Cc1cc(Nc2nc3ccccc3nc2Nc2cccc(F)c2)n(-c2ccccc2)n1 ZINC000011692200 559186288 /nfs/dbraw/zinc/18/62/88/559186288.db2.gz QCBCWXIPQBFRRQ-UHFFFAOYSA-N 0 0 410.456 5.750 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000011692344 559186337 /nfs/dbraw/zinc/18/63/37/559186337.db2.gz LLQMAHTWTWFLMJ-UHFFFAOYSA-N 0 0 424.325 5.827 50 0 HKAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000011692467 559186283 /nfs/dbraw/zinc/18/62/83/559186283.db2.gz CXVBUMOZTXBQLD-QFIPXVFZSA-N 0 0 409.533 5.416 50 0 HKAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000011692468 559186455 /nfs/dbraw/zinc/18/64/55/559186455.db2.gz CXVBUMOZTXBQLD-JOCHJYFZSA-N 0 0 409.533 5.416 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2nnsc2c1 ZINC000011692738 559186682 /nfs/dbraw/zinc/18/66/82/559186682.db2.gz PEVQNLXUOYIIHK-UHFFFAOYSA-N 0 0 420.441 5.010 50 0 HKAARN Cc1cc(C)c2c(N)c(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2n1 ZINC000011692825 559186778 /nfs/dbraw/zinc/18/67/78/559186778.db2.gz BCKPNMJFGFIWMP-UHFFFAOYSA-N 0 0 417.317 6.293 50 0 HKAARN c1ccc(Sc2c(-c3ccccc3)nnc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000011692934 559186968 /nfs/dbraw/zinc/18/69/68/559186968.db2.gz FGHZFXTYYOOOPX-UHFFFAOYSA-N 0 0 416.549 7.629 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(-c3cccs3)cs2)n1 ZINC000011693799 560773776 /nfs/dbraw/zinc/77/37/76/560773776.db2.gz DZHBKQRJGPFVPI-UHFFFAOYSA-N 0 0 400.916 5.271 50 0 HKAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000011693800 559187975 /nfs/dbraw/zinc/18/79/75/559187975.db2.gz HJHGVUHXTMVHQG-UHFFFAOYSA-N 0 0 400.916 5.271 50 0 HKAARN CC(C)c1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1 ZINC000011694979 559188522 /nfs/dbraw/zinc/18/85/22/559188522.db2.gz ANBONEDLNPAKAN-UHFFFAOYSA-N 0 0 416.593 5.484 50 0 HKAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1cccc(Cl)c1 ZINC000011694980 559188516 /nfs/dbraw/zinc/18/85/16/559188516.db2.gz PVNPFAVHILEMDL-UHFFFAOYSA-N 0 0 408.957 5.014 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1Cl ZINC000011694986 559188514 /nfs/dbraw/zinc/18/85/14/559188514.db2.gz YJPTXUGLRCLGFL-UHFFFAOYSA-N 0 0 422.984 5.323 50 0 HKAARN Cc1cc(C)c(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)c(C)c1 ZINC000011694987 559188511 /nfs/dbraw/zinc/18/85/11/559188511.db2.gz YCCQVJYSDVEJFV-UHFFFAOYSA-N 0 0 416.593 5.286 50 0 HKAARN COc1ccccc1NC(=O)Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000011695946 559188720 /nfs/dbraw/zinc/18/87/20/559188720.db2.gz NSOFWYMYPTZANY-UHFFFAOYSA-N 0 0 424.460 5.006 50 0 HKAARN COc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)c1 ZINC000011695947 559188741 /nfs/dbraw/zinc/18/87/41/559188741.db2.gz YXGOMLIPUXXNAD-UHFFFAOYSA-N 0 0 424.460 5.006 50 0 HKAARN COc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)cc1 ZINC000011695948 559188675 /nfs/dbraw/zinc/18/86/75/559188675.db2.gz HLNRNEOFCQHPPF-UHFFFAOYSA-N 0 0 424.460 5.006 50 0 HKAARN CCn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](C)C2 ZINC000011695982 559188820 /nfs/dbraw/zinc/18/88/20/559188820.db2.gz BHGBPHNVBUVYDR-ZDUSSCGKSA-N 0 0 422.579 5.618 50 0 HKAARN CCn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](C)C2 ZINC000011695983 559188775 /nfs/dbraw/zinc/18/87/75/559188775.db2.gz BHGBPHNVBUVYDR-CYBMUJFWSA-N 0 0 422.579 5.618 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000011717806 558271706 /nfs/dbraw/zinc/27/17/06/558271706.db2.gz ZIJVVQSVWXSUIC-GOSISDBHSA-N 0 0 408.498 5.045 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000011717815 558271987 /nfs/dbraw/zinc/27/19/87/558271987.db2.gz ZIJVVQSVWXSUIC-SFHVURJKSA-N 0 0 408.498 5.045 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000011726240 569291402 /nfs/dbraw/zinc/29/14/02/569291402.db2.gz LQSHMNRTDZXJLM-UHFFFAOYSA-N 0 0 408.310 5.551 50 0 HKAARN CC[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1 ZINC000011739829 559256546 /nfs/dbraw/zinc/25/65/46/559256546.db2.gz MPBLMQXRIYHTHV-HNNXBMFYSA-N 0 0 402.903 5.436 50 0 HKAARN CC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1 ZINC000011739832 559256535 /nfs/dbraw/zinc/25/65/35/559256535.db2.gz MPBLMQXRIYHTHV-OAHLLOKOSA-N 0 0 402.903 5.436 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1 ZINC000011746328 559256773 /nfs/dbraw/zinc/25/67/73/559256773.db2.gz AOGKOFKPTRUWJJ-KRWDZBQOSA-N 0 0 402.494 5.026 50 0 HKAARN Cc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)ccc1N1CCCC1=O ZINC000011747220 559256838 /nfs/dbraw/zinc/25/68/38/559256838.db2.gz IHFZTWZACCGXJK-UHFFFAOYSA-N 0 0 411.461 5.182 50 0 HKAARN Cc1nc2cc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccc2n1-c1ccccc1 ZINC000011753592 558272196 /nfs/dbraw/zinc/27/21/96/558272196.db2.gz HWKHJZCVKUMSQC-JOCHJYFZSA-N 0 0 410.521 5.051 50 0 HKAARN Cc1nc2cc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)ccc2n1-c1ccccc1 ZINC000011753593 558272306 /nfs/dbraw/zinc/27/23/06/558272306.db2.gz HWKHJZCVKUMSQC-QFIPXVFZSA-N 0 0 410.521 5.051 50 0 HKAARN CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1nccs1 ZINC000011753678 558272512 /nfs/dbraw/zinc/27/25/12/558272512.db2.gz BDGNXAJEBRRWDS-UHFFFAOYSA-N 0 0 414.534 5.433 50 0 HKAARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O ZINC000011758390 559257860 /nfs/dbraw/zinc/25/78/60/559257860.db2.gz UCGCJWRKZNTBEL-UHFFFAOYSA-N 0 0 424.412 5.044 50 0 HKAARN Fc1cccc(Cl)c1CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1 ZINC000011758563 559257980 /nfs/dbraw/zinc/25/79/80/559257980.db2.gz VBIBEWFAAUMHBS-UHFFFAOYSA-N 0 0 420.300 5.008 50 0 HKAARN Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2c1C ZINC000011762390 559258591 /nfs/dbraw/zinc/25/85/91/559258591.db2.gz XENBFZNAHWTUIV-UHFFFAOYSA-N 0 0 416.550 5.052 50 0 HKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)sc1Cl ZINC000011765115 559258765 /nfs/dbraw/zinc/25/87/65/559258765.db2.gz HKPPZFIHZGCCGI-UHFFFAOYSA-N 0 0 424.378 5.322 50 0 HKAARN C[C@H](NC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1)c1nccs1 ZINC000011767957 559258912 /nfs/dbraw/zinc/25/89/12/559258912.db2.gz WVWIRLDLLHRIIS-NSHDSACASA-N 0 0 417.412 5.461 50 0 HKAARN C[C@@H](NC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1)c1nccs1 ZINC000011767963 559258915 /nfs/dbraw/zinc/25/89/15/559258915.db2.gz WVWIRLDLLHRIIS-LLVKDONJSA-N 0 0 417.412 5.461 50 0 HKAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)c4cccc5ccccc54)c3)csc2n1 ZINC000011768172 559258837 /nfs/dbraw/zinc/25/88/37/559258837.db2.gz BBLYLKJCYJXPDI-UHFFFAOYSA-N 0 0 411.486 5.137 50 0 HKAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc2n1 ZINC000011770910 559258623 /nfs/dbraw/zinc/25/86/23/559258623.db2.gz BQOJPUCWGCTARF-UHFFFAOYSA-N 0 0 410.886 5.029 50 0 HKAARN CC(C)CC(=O)[C@@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771166 558274276 /nfs/dbraw/zinc/27/42/76/558274276.db2.gz OAHXQKIREIGKSK-JOCHJYFZSA-N 0 0 417.553 5.077 50 0 HKAARN CC(C)CC(=O)[C@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011771173 558274291 /nfs/dbraw/zinc/27/42/91/558274291.db2.gz OAHXQKIREIGKSK-QFIPXVFZSA-N 0 0 417.553 5.077 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)c2csc(C)n2)c(F)c1 ZINC000011771574 558274539 /nfs/dbraw/zinc/27/45/39/558274539.db2.gz AFOJIGABYCKKQH-OAHLLOKOSA-N 0 0 422.529 5.303 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2csc(C)n2)c(F)c1 ZINC000011771580 558274529 /nfs/dbraw/zinc/27/45/29/558274529.db2.gz AFOJIGABYCKKQH-HNNXBMFYSA-N 0 0 422.529 5.303 50 0 HKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C)n1 ZINC000011773968 558274522 /nfs/dbraw/zinc/27/45/22/558274522.db2.gz VOPQLWIKFFGSMA-RUZDIDTESA-N 0 0 411.505 5.058 50 0 HKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C)n1 ZINC000011773971 558274536 /nfs/dbraw/zinc/27/45/36/558274536.db2.gz VOPQLWIKFFGSMA-VWLOTQADSA-N 0 0 411.505 5.058 50 0 HKAARN COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(Cc1ccc(C)o1)C2 ZINC000011786641 558276162 /nfs/dbraw/zinc/27/61/62/558276162.db2.gz SOVUHOKESZDECI-UHFFFAOYSA-N 0 0 400.478 5.206 50 0 HKAARN Cc1nc(NCc2c[nH]nc2-c2ccc(F)cc2)sc1-c1ccn(C2CCCC2)n1 ZINC000011789731 558277219 /nfs/dbraw/zinc/27/72/19/558277219.db2.gz VFFGEEWRYYGISB-UHFFFAOYSA-N 0 0 422.533 5.571 50 0 HKAARN Cc1cccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cccs2)C2CC2)c1 ZINC000011791178 558277512 /nfs/dbraw/zinc/27/75/12/558277512.db2.gz IZACMXVTMAKTRT-UHFFFAOYSA-N 0 0 412.558 6.385 50 0 HKAARN CN(c1nnc(-c2ccc(NC(=O)Cc3cccs3)cc2)s1)c1ccccc1 ZINC000011797042 559259909 /nfs/dbraw/zinc/25/99/09/559259909.db2.gz VJNOOQUZPXISFL-UHFFFAOYSA-N 0 0 406.536 5.216 50 0 HKAARN CN(c1nnc(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2)s1)c1ccccc1 ZINC000011797045 559259897 /nfs/dbraw/zinc/25/98/97/559259897.db2.gz HPICPFUGLXAAIB-UHFFFAOYSA-N 0 0 422.460 5.504 50 0 HKAARN COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)s2)cc1 ZINC000011797100 559259893 /nfs/dbraw/zinc/25/98/93/559259893.db2.gz YCJWLHOWQQZZNB-UHFFFAOYSA-N 0 0 422.535 5.295 50 0 HKAARN CCOc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1 ZINC000011806901 559259934 /nfs/dbraw/zinc/25/99/34/559259934.db2.gz CDGSCKFQUCOIIB-UHFFFAOYSA-N 0 0 411.458 5.060 50 0 HKAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2c1 ZINC000011807107 559260120 /nfs/dbraw/zinc/26/01/20/559260120.db2.gz YHNYOXANDLCCBW-UHFFFAOYSA-N 0 0 413.886 5.185 50 0 HKAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000011807110 559260145 /nfs/dbraw/zinc/26/01/45/559260145.db2.gz DLIFWTPUYZDPIU-UHFFFAOYSA-N 0 0 413.886 5.185 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2ccc(F)cc2s1 ZINC000011807637 559260113 /nfs/dbraw/zinc/26/01/13/559260113.db2.gz LBBMCFUAAQKSHB-UHFFFAOYSA-N 0 0 401.850 5.315 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2c(cc(F)cc2F)s1 ZINC000011807738 559260157 /nfs/dbraw/zinc/26/01/57/559260157.db2.gz SPCPMSRSAMFTGM-UHFFFAOYSA-N 0 0 419.840 5.454 50 0 HKAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2c(cc(F)cc2F)s1 ZINC000011807746 559260124 /nfs/dbraw/zinc/26/01/24/559260124.db2.gz SZAGHZMSVWXFBK-UHFFFAOYSA-N 0 0 421.375 5.079 50 0 HKAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccs1 ZINC000011810578 559260251 /nfs/dbraw/zinc/26/02/51/559260251.db2.gz LKSSIJOTWKKSMV-INIZCTEOSA-N 0 0 413.568 5.003 50 0 HKAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccs1 ZINC000011810580 559260243 /nfs/dbraw/zinc/26/02/43/559260243.db2.gz LKSSIJOTWKKSMV-MRXNPFEDSA-N 0 0 413.568 5.003 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4C[C@@H]5C=C[C@H]4C5)CC3)cc2)c1 ZINC000011812868 558277695 /nfs/dbraw/zinc/27/76/95/558277695.db2.gz VETSQAYEQIBFGD-HFRGRHLUSA-N 0 0 414.549 5.051 50 0 HKAARN O=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000011813989 558278277 /nfs/dbraw/zinc/27/82/77/558278277.db2.gz QXUDKGPRYDMWSV-UHFFFAOYSA-N 0 0 406.929 5.327 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000011814409 558278755 /nfs/dbraw/zinc/27/87/55/558278755.db2.gz BNBLIHOKRIKKEX-UHFFFAOYSA-N 0 0 408.885 5.091 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)o1 ZINC000011814571 558278874 /nfs/dbraw/zinc/27/88/74/558278874.db2.gz NGCZHAXOVIDFIL-VWLOTQADSA-N 0 0 402.494 5.064 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2OC)o1 ZINC000011814572 558278720 /nfs/dbraw/zinc/27/87/20/558278720.db2.gz NGCZHAXOVIDFIL-RUZDIDTESA-N 0 0 402.494 5.064 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)n2)cc1 ZINC000011814937 558279021 /nfs/dbraw/zinc/27/90/21/558279021.db2.gz AYYSTGDGCVULJV-RUZDIDTESA-N 0 0 411.505 5.058 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)n2)cc1 ZINC000011814939 558279024 /nfs/dbraw/zinc/27/90/24/558279024.db2.gz AYYSTGDGCVULJV-VWLOTQADSA-N 0 0 411.505 5.058 50 0 HKAARN COc1ccc(-c2nc(CN3CCC(Oc4ccccc4C)CC3)c(C)o2)c(OC)c1 ZINC000011816070 558279519 /nfs/dbraw/zinc/27/95/19/558279519.db2.gz OPXODBDAPBAOEK-UHFFFAOYSA-N 0 0 422.525 5.019 50 0 HKAARN Cc1nc([C@@H](C)N(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)c(C)s1 ZINC000011816619 558280073 /nfs/dbraw/zinc/28/00/73/558280073.db2.gz WDXCPTYYLHEYLO-MRXNPFEDSA-N 0 0 410.587 5.504 50 0 HKAARN Cc1nc([C@H](C)N(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)c(C)s1 ZINC000011816620 558279964 /nfs/dbraw/zinc/27/99/64/558279964.db2.gz WDXCPTYYLHEYLO-INIZCTEOSA-N 0 0 410.587 5.504 50 0 HKAARN O=C(CCC1CCN(C(=O)c2cc3ccccc3o2)CC1)NCc1cccc(Cl)c1 ZINC000011816746 558280098 /nfs/dbraw/zinc/28/00/98/558280098.db2.gz GSQYNPNYPDYEAD-UHFFFAOYSA-N 0 0 424.928 5.035 50 0 HKAARN O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCCCCCC1 ZINC000011816971 558280458 /nfs/dbraw/zinc/28/04/58/558280458.db2.gz DJWKKCRORSJXMJ-UHFFFAOYSA-N 0 0 407.461 5.488 50 0 HKAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000011817103 558280319 /nfs/dbraw/zinc/28/03/19/558280319.db2.gz ODQHIEPHNDDPFG-JOCHJYFZSA-N 0 0 414.505 5.489 50 0 HKAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000011817104 558280306 /nfs/dbraw/zinc/28/03/06/558280306.db2.gz ODQHIEPHNDDPFG-QFIPXVFZSA-N 0 0 414.505 5.489 50 0 HKAARN CSc1ccccc1C(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000011818247 558281538 /nfs/dbraw/zinc/28/15/38/558281538.db2.gz LMCFPRXDQRAFJF-INIZCTEOSA-N 0 0 401.535 5.547 50 0 HKAARN CSc1ccccc1C(=O)N[C@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000011818248 558281505 /nfs/dbraw/zinc/28/15/05/558281505.db2.gz LMCFPRXDQRAFJF-MRXNPFEDSA-N 0 0 401.535 5.547 50 0 HKAARN Cc1ccc(-n2cc(CNCc3cn4ccsc4n3)c(-c3cccc(C)c3)n2)cc1 ZINC000011818337 558281509 /nfs/dbraw/zinc/28/15/09/558281509.db2.gz RBPXTMLXZKMCCL-UHFFFAOYSA-N 0 0 413.550 5.155 50 0 HKAARN O=C(NCc1c[nH]nc1-c1ccccc1)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000011819063 559260536 /nfs/dbraw/zinc/26/05/36/559260536.db2.gz ZHICEZNJWBYRLK-UHFFFAOYSA-N 0 0 400.482 5.196 50 0 HKAARN Cc1c[nH]c(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000011820124 558283299 /nfs/dbraw/zinc/28/32/99/558283299.db2.gz UYMBHOPOXJOXBT-UHFFFAOYSA-N 0 0 411.509 5.008 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000011820526 558284037 /nfs/dbraw/zinc/28/40/37/558284037.db2.gz VSVNKHNVIXCHNC-HSZRJFAPSA-N 0 0 405.473 5.006 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000011820527 558283965 /nfs/dbraw/zinc/28/39/65/558283965.db2.gz VSVNKHNVIXCHNC-QHCPKHFHSA-N 0 0 405.473 5.006 50 0 HKAARN Cc1ccccc1-c1noc(CSc2nc3ccccc3c(=O)n2CCC(C)C)n1 ZINC000011829118 559260632 /nfs/dbraw/zinc/26/06/32/559260632.db2.gz KTTBJFNSGQMRBT-UHFFFAOYSA-N 0 0 420.538 5.093 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000011835135 559261081 /nfs/dbraw/zinc/26/10/81/559261081.db2.gz XXIYKXPSLFOJLS-UHFFFAOYSA-N 0 0 417.893 5.068 50 0 HKAARN CC(C)c1ccccc1NC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000011835156 559261087 /nfs/dbraw/zinc/26/10/87/559261087.db2.gz WGSSZMOOBFCXHK-UHFFFAOYSA-N 0 0 411.502 5.229 50 0 HKAARN CCCCc1ccc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1 ZINC000011835196 559260920 /nfs/dbraw/zinc/26/09/20/559260920.db2.gz LGTKLNVNBHWBPV-UHFFFAOYSA-N 0 0 413.568 5.371 50 0 HKAARN CCCCc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000011835370 559261188 /nfs/dbraw/zinc/26/11/88/559261188.db2.gz LPIICVNNQAYLGK-UHFFFAOYSA-N 0 0 407.539 5.309 50 0 HKAARN Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000011835477 559261177 /nfs/dbraw/zinc/26/11/77/559261177.db2.gz DIHPOHQFCLZMFY-UHFFFAOYSA-N 0 0 413.930 5.237 50 0 HKAARN CSc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 ZINC000011836530 559261241 /nfs/dbraw/zinc/26/12/41/559261241.db2.gz KJTKJIOHFMOLDN-UHFFFAOYSA-N 0 0 418.518 5.998 50 0 HKAARN CSc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000011836540 559261246 /nfs/dbraw/zinc/26/12/46/559261246.db2.gz BSWSPJDORZXLGX-UHFFFAOYSA-N 0 0 407.322 5.942 50 0 HKAARN Cc1ccc(-n2cc(CN(C)[C@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838480 558285255 /nfs/dbraw/zinc/28/52/55/558285255.db2.gz JZHNGXMGGWUVDW-QGZVFWFLSA-N 0 0 406.530 5.636 50 0 HKAARN Cc1ccc(-n2cc(CN(C)[C@@H](C)c3nccs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838482 558285292 /nfs/dbraw/zinc/28/52/92/558285292.db2.gz JZHNGXMGGWUVDW-KRWDZBQOSA-N 0 0 406.530 5.636 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)CC4CCCC4)CC3)cc2)c1 ZINC000011839022 558285645 /nfs/dbraw/zinc/28/56/45/558285645.db2.gz PUIURVTYMNSJKO-UHFFFAOYSA-N 0 0 404.554 5.419 50 0 HKAARN COc1cc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(Cl)cc1O ZINC000011840224 558286431 /nfs/dbraw/zinc/28/64/31/558286431.db2.gz UCJXLNZNUJUUNM-HNNXBMFYSA-N 0 0 421.928 5.552 50 0 HKAARN COc1cc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(Cl)cc1O ZINC000011840225 558286369 /nfs/dbraw/zinc/28/63/69/558286369.db2.gz UCJXLNZNUJUUNM-OAHLLOKOSA-N 0 0 421.928 5.552 50 0 HKAARN CCOc1ccccc1-c1nc(CN(C)Cc2ccc(OC)c3ncccc23)c(C)o1 ZINC000011840787 558286746 /nfs/dbraw/zinc/28/67/46/558286746.db2.gz QILWJSLMPKCZMN-UHFFFAOYSA-N 0 0 417.509 5.238 50 0 HKAARN c1ccc2c(c1)C=C(c1ccc3c(c1)CN(Cc1ccc4c(c1)OCO4)CCO3)CC2 ZINC000011841474 558287113 /nfs/dbraw/zinc/28/71/13/558287113.db2.gz GGIGUKRBWBZVAS-UHFFFAOYSA-N 0 0 411.501 5.297 50 0 HKAARN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000011841842 558287483 /nfs/dbraw/zinc/28/74/83/558287483.db2.gz PGLWRTNPKBAQMH-AWEZNQCLSA-N 0 0 408.926 5.120 50 0 HKAARN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000011841843 558287369 /nfs/dbraw/zinc/28/73/69/558287369.db2.gz PGLWRTNPKBAQMH-CQSZACIVSA-N 0 0 408.926 5.120 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000011842578 559261687 /nfs/dbraw/zinc/26/16/87/559261687.db2.gz AMSWRNRIYJDOIZ-DEOSSOPVSA-N 0 0 407.583 5.572 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011842579 559261689 /nfs/dbraw/zinc/26/16/89/559261689.db2.gz AMSWRNRIYJDOIZ-XMMPIXPASA-N 0 0 407.583 5.572 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@@H](C)c2nccs2)c(F)c1 ZINC000011843013 558287907 /nfs/dbraw/zinc/28/79/07/558287907.db2.gz NJUUFYXOZHOWSI-INIZCTEOSA-N 0 0 422.529 5.337 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@H](C)c2nccs2)c(F)c1 ZINC000011843014 558287973 /nfs/dbraw/zinc/28/79/73/558287973.db2.gz NJUUFYXOZHOWSI-MRXNPFEDSA-N 0 0 422.529 5.337 50 0 HKAARN Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc54)C3)c2c1 ZINC000011843526 558288469 /nfs/dbraw/zinc/28/84/69/558288469.db2.gz NWUYDXIZBSFIMI-FQEVSTJZSA-N 0 0 408.501 5.432 50 0 HKAARN Cc1ccc2nccc(C(=O)N3CCC[C@@H](C(=O)c4cccc5ccccc54)C3)c2c1 ZINC000011843527 558288537 /nfs/dbraw/zinc/28/85/37/558288537.db2.gz NWUYDXIZBSFIMI-HXUWFJFHSA-N 0 0 408.501 5.432 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2=CCCCC2)cc1 ZINC000011843972 558288894 /nfs/dbraw/zinc/28/88/94/558288894.db2.gz FSINVQHQOIQLOV-RUZDIDTESA-N 0 0 400.522 5.541 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2=CCCCC2)cc1 ZINC000011843973 558288840 /nfs/dbraw/zinc/28/88/40/558288840.db2.gz FSINVQHQOIQLOV-VWLOTQADSA-N 0 0 400.522 5.541 50 0 HKAARN O=C(c1ccccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000011844373 558288963 /nfs/dbraw/zinc/28/89/63/558288963.db2.gz LHHWOQUFRQSIAW-QFIPXVFZSA-N 0 0 421.422 5.370 50 0 HKAARN O=C(c1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000011844374 558289067 /nfs/dbraw/zinc/28/90/67/558289067.db2.gz LHHWOQUFRQSIAW-JOCHJYFZSA-N 0 0 421.422 5.370 50 0 HKAARN Cn1c2c(ccc3ccccc23)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000011847343 559261584 /nfs/dbraw/zinc/26/15/84/559261584.db2.gz JNQJVPITGPPQOT-CYYJNZCTSA-N 0 0 408.526 5.652 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(=O)c2ccccc2o1 ZINC000011847403 559261625 /nfs/dbraw/zinc/26/16/25/559261625.db2.gz XNBYSDAEMSMWQC-UHFFFAOYSA-N 0 0 417.273 5.476 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(=O)c2ccccc2o1 ZINC000011847465 559261616 /nfs/dbraw/zinc/26/16/16/559261616.db2.gz FEKNAIMPUIMLOG-UHFFFAOYSA-N 0 0 417.273 5.476 50 0 HKAARN O=C1c2cccc3cccc(c23)N1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000011851865 559262044 /nfs/dbraw/zinc/26/20/44/559262044.db2.gz RFYLYAUXQNFQLR-UHFFFAOYSA-N 0 0 412.681 5.149 50 0 HKAARN O=C(Nc1nc(-c2ccncc2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000011852350 559262217 /nfs/dbraw/zinc/26/22/17/559262217.db2.gz STJVJRQBRPAQOF-UHFFFAOYSA-N 0 0 414.515 5.734 50 0 HKAARN Cc1nc2c(ccc3nc(NC(=O)c4sc5ccccc5c4Cl)sc32)s1 ZINC000011852351 559262232 /nfs/dbraw/zinc/26/22/32/559262232.db2.gz MCOJZJZTHQHFOV-UHFFFAOYSA-N 0 0 415.952 6.335 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[C@H](C)C2 ZINC000011852363 559262064 /nfs/dbraw/zinc/26/20/64/559262064.db2.gz IAQNFNZNPQLLTB-QMMMGPOBSA-N 0 0 418.367 5.670 50 0 HKAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000011852407 559262076 /nfs/dbraw/zinc/26/20/76/559262076.db2.gz ACZOCRAUZJSKCB-SNVBAGLBSA-N 0 0 416.528 5.073 50 0 HKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Br)s1 ZINC000011852789 559262592 /nfs/dbraw/zinc/26/25/92/559262592.db2.gz LKHMBNYIXAKGMC-UHFFFAOYSA-N 0 0 422.325 5.278 50 0 HKAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccccc1Oc1ccccc1 ZINC000011852843 559262596 /nfs/dbraw/zinc/26/25/96/559262596.db2.gz OILWXFHFGHBJIZ-OCEACIFDSA-N 0 0 410.498 5.926 50 0 HKAARN Cn1c2ccc3ccccc3c2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000011852845 559262604 /nfs/dbraw/zinc/26/26/04/559262604.db2.gz LFBVHOMLONPDDH-CYYJNZCTSA-N 0 0 408.526 5.652 50 0 HKAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)COc1ccc(Cl)cc1Cl ZINC000011852852 559262545 /nfs/dbraw/zinc/26/25/45/559262545.db2.gz IRGLFKUDPDSHBJ-BSYVCWPDSA-N 0 0 417.317 5.206 50 0 HKAARN COc1ccc(-c2cc3ccc(Nc4cc(C)cc(C)c4)cc3oc2=O)cc1OC ZINC000011865082 569399073 /nfs/dbraw/zinc/39/90/73/569399073.db2.gz QZVITGQQOQTYOR-UHFFFAOYSA-N 0 0 401.462 5.838 50 0 HKAARN COc1ccc(-c2c(C)c3ccc(Nc4cc(C)cc(C)c4)cc3oc2=O)cc1OC ZINC000011865086 569399045 /nfs/dbraw/zinc/39/90/45/569399045.db2.gz FMOMTNFMCCJMMT-UHFFFAOYSA-N 0 0 415.489 6.146 50 0 HKAARN COc1ccc(-c2c(C)c3ccc(Nc4ccc(C)cc4)cc3oc2=O)cc1OC ZINC000011865089 569399035 /nfs/dbraw/zinc/39/90/35/569399035.db2.gz XVTVLGYOJTTXNX-UHFFFAOYSA-N 0 0 401.462 5.838 50 0 HKAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)Nc3ccccc3)c2c1 ZINC000011865160 559263497 /nfs/dbraw/zinc/26/34/97/559263497.db2.gz ONKJWZVJDCGDQX-UHFFFAOYSA-N 0 0 424.456 6.413 50 0 HKAARN COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2OC(=O)c2ccco2)cc1 ZINC000011865162 559263529 /nfs/dbraw/zinc/26/35/29/559263529.db2.gz NWHVXAMBRYTUAP-UHFFFAOYSA-N 0 0 405.406 5.146 50 0 HKAARN Cc1cc(C)c2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)c1cccs1 ZINC000011865171 559263679 /nfs/dbraw/zinc/26/36/79/559263679.db2.gz HSPXIRJJFPVVFL-UHFFFAOYSA-N 0 0 415.470 6.137 50 0 HKAARN Cc1ccc2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)c1cccs1 ZINC000011865177 559263666 /nfs/dbraw/zinc/26/36/66/559263666.db2.gz VARUIHRBXVAIQA-UHFFFAOYSA-N 0 0 401.443 5.828 50 0 HKAARN Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccco3)c2cc1Cl ZINC000011865179 559263621 /nfs/dbraw/zinc/26/36/21/559263621.db2.gz KAPQFDHXYJEMSO-UHFFFAOYSA-N 0 0 419.820 6.013 50 0 HKAARN COc1cccc(Oc2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)c1 ZINC000011865237 559263384 /nfs/dbraw/zinc/26/33/84/559263384.db2.gz PWDXLFLXKXOQJG-UHFFFAOYSA-N 0 0 422.864 6.135 50 0 HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000011865238 559263399 /nfs/dbraw/zinc/26/33/99/559263399.db2.gz VAPRZPVTHLOBTD-UHFFFAOYSA-N 0 0 406.409 5.620 50 0 HKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 ZINC000011865239 559263449 /nfs/dbraw/zinc/26/34/49/559263449.db2.gz OOZBJEPSORZODY-UHFFFAOYSA-N 0 0 422.864 6.135 50 0 HKAARN COc1cccc2c(NC(=O)c3ccccc3F)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000011865292 559263412 /nfs/dbraw/zinc/26/34/12/559263412.db2.gz ZCUMFFCQCYPKFK-UHFFFAOYSA-N 0 0 423.827 5.717 50 0 HKAARN Cc1cc(C)c2c(N)c(-c3cc(=O)oc4cc(-c5ccccc5)c(O)cc43)sc2n1 ZINC000011865329 559263484 /nfs/dbraw/zinc/26/34/84/559263484.db2.gz XHRNLJOVPZAENC-UHFFFAOYSA-N 0 0 414.486 5.641 50 0 HKAARN CCc1cc2c(cc1O)oc(=O)cc2-c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000011865372 559263522 /nfs/dbraw/zinc/26/35/22/559263522.db2.gz SKBPZIGNIXADAG-UHFFFAOYSA-N 0 0 416.502 5.745 50 0 HKAARN Cc1cc(C)c2c(n1)sc(-c1cc(=O)oc3cc(C)c(O)cc31)c2-n1cccc1 ZINC000011865373 559263553 /nfs/dbraw/zinc/26/35/53/559263553.db2.gz CHHOFKOTHUMBIQ-UHFFFAOYSA-N 0 0 402.475 5.491 50 0 HKAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000011865384 559263503 /nfs/dbraw/zinc/26/35/03/559263503.db2.gz RXJCOYIFGULSHK-UHFFFAOYSA-N 0 0 424.496 5.991 50 0 HKAARN CCCCCCc1c(C)c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2oc1=O ZINC000011865516 559263812 /nfs/dbraw/zinc/26/38/12/559263812.db2.gz LOKMOYYGRHAZTE-UHFFFAOYSA-N 0 0 418.486 5.131 50 0 HKAARN O=c1cc(OCc2ccc(Br)cc2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000011865695 559263919 /nfs/dbraw/zinc/26/39/19/559263919.db2.gz VLXQRVNNSFTXBU-UHFFFAOYSA-N 0 0 423.262 5.507 50 0 biogenic HKAARN C[C@@H](CCc1ccco1)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000011865857 559263869 /nfs/dbraw/zinc/26/38/69/559263869.db2.gz FTQWPQFNSPHSBN-LBPRGKRZSA-N 0 0 409.338 5.390 50 0 HKAARN C[C@H](CCc1ccco1)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000011865858 559263917 /nfs/dbraw/zinc/26/39/17/559263917.db2.gz FTQWPQFNSPHSBN-GFCCVEGCSA-N 0 0 409.338 5.390 50 0 HKAARN CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000011865882 559263899 /nfs/dbraw/zinc/26/38/99/559263899.db2.gz QMXRVSWYISCEDT-UHFFFAOYSA-N 0 0 420.412 5.093 50 0 HKAARN CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000011865883 559263879 /nfs/dbraw/zinc/26/38/79/559263879.db2.gz VEZHIWQINAVQDY-UHFFFAOYSA-N 0 0 420.412 5.093 50 0 HKAARN COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl ZINC000011866094 559264002 /nfs/dbraw/zinc/26/40/02/559264002.db2.gz UERDQIRYNKRWBZ-UHFFFAOYSA-N 0 0 406.866 5.181 50 0 HKAARN COc1ccc(CCNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000011866129 559264029 /nfs/dbraw/zinc/26/40/29/559264029.db2.gz WUWOUPWYPFRWDN-UHFFFAOYSA-N 0 0 421.349 5.027 50 0 biogenic HKAARN COc1ccccc1CCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000011866130 559264010 /nfs/dbraw/zinc/26/40/10/559264010.db2.gz QCLIIDOKQNLYFH-UHFFFAOYSA-N 0 0 421.349 5.027 50 0 HKAARN COc1ccc(-c2c(C)c3cc(OC(=O)C4CCCCC4)ccc3oc2=O)cc1OC ZINC000011866206 559264123 /nfs/dbraw/zinc/26/41/23/559264123.db2.gz GFYAQVTZGJRYMC-UHFFFAOYSA-N 0 0 422.477 5.271 50 0 HKAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4cccs4)ccc3oc2=O)cc1OC ZINC000011866207 559264083 /nfs/dbraw/zinc/26/40/83/559264083.db2.gz NPFYKOJGPBHKIL-UHFFFAOYSA-N 0 0 422.458 5.066 50 0 HKAARN COc1ccc(-c2c(C)c3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1OC ZINC000011866265 559264121 /nfs/dbraw/zinc/26/41/21/559264121.db2.gz UMMGXWLEZXVWJB-UHFFFAOYSA-N 0 0 422.458 5.066 50 0 HKAARN COc1ccc(-c2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1OC ZINC000011866300 559264098 /nfs/dbraw/zinc/26/40/98/559264098.db2.gz SRCMZYDXIXXOEW-UHFFFAOYSA-N 0 0 422.864 5.710 50 0 biogenic HKAARN Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3F)cc2O)n1 ZINC000011866334 559264108 /nfs/dbraw/zinc/26/41/08/559264108.db2.gz QNNWEGLWCHYSLE-UHFFFAOYSA-N 0 0 421.859 5.470 50 0 HKAARN COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000011866395 559264156 /nfs/dbraw/zinc/26/41/56/559264156.db2.gz GEOWWQMPJGSRCF-UHFFFAOYSA-N 0 0 414.177 5.504 50 0 HKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3cc(C)ccc3OC)c2c1 ZINC000011866415 559264135 /nfs/dbraw/zinc/26/41/35/559264135.db2.gz NLKKHYLWKOLIFV-UHFFFAOYSA-N 0 0 401.462 6.068 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000011866427 559264116 /nfs/dbraw/zinc/26/41/16/559264116.db2.gz NANVWLIUIAPEHF-UHFFFAOYSA-N 0 0 401.462 5.890 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000011866437 559264113 /nfs/dbraw/zinc/26/41/13/559264113.db2.gz SUEXOMYQSNIDLL-UHFFFAOYSA-N 0 0 417.461 5.686 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2OC)cc1 ZINC000011866438 559264144 /nfs/dbraw/zinc/26/41/44/559264144.db2.gz ZZUOLAXMHAPAIP-UHFFFAOYSA-N 0 0 403.434 5.378 50 0 HKAARN COc1ccc(NC(=O)c2c3cc(OC)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000011866439 559264119 /nfs/dbraw/zinc/26/41/19/559264119.db2.gz UUGLVDFEIOIETJ-UHFFFAOYSA-N 0 0 403.434 5.378 50 0 HKAARN CCOc1ccc(NC(=O)c2c3cc(OC)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000011866446 559264065 /nfs/dbraw/zinc/26/40/65/559264065.db2.gz HPKPTPBZEZYSLA-UHFFFAOYSA-N 0 0 417.461 5.768 50 0 HKAARN CCOc1ccccc1NC(=O)c1c2cc(OC)ccc2oc1-c1ccc(OC)cc1 ZINC000011866447 559264154 /nfs/dbraw/zinc/26/41/54/559264154.db2.gz MIMAVFDCBSUFRC-UHFFFAOYSA-N 0 0 417.461 5.768 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000011866448 559264072 /nfs/dbraw/zinc/26/40/72/559264072.db2.gz VWPMZEDUDABNHG-UHFFFAOYSA-N 0 0 407.853 6.023 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000011866449 559264103 /nfs/dbraw/zinc/26/41/03/559264103.db2.gz UMVBNGKHVHADDY-UHFFFAOYSA-N 0 0 401.462 5.986 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2c(C)cccc2C)cc1 ZINC000011866450 559264101 /nfs/dbraw/zinc/26/41/01/559264101.db2.gz NLLHFVXLKKXRAF-UHFFFAOYSA-N 0 0 401.462 5.986 50 0 HKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3OCC)c2c1 ZINC000011866454 559264195 /nfs/dbraw/zinc/26/41/95/559264195.db2.gz NXZFVAXMRQMCOP-UHFFFAOYSA-N 0 0 401.462 6.150 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000011866458 559264232 /nfs/dbraw/zinc/26/42/32/559264232.db2.gz QPMLESJLNDPNFK-UHFFFAOYSA-N 0 0 401.462 5.971 50 0 HKAARN CCOc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000011866459 559264221 /nfs/dbraw/zinc/26/42/21/559264221.db2.gz PLYKPENRCGLEQE-UHFFFAOYSA-N 0 0 401.462 5.971 50 0 HKAARN CCOc1ccc(NC(=O)c2c3cc(OCC)ccc3oc2-c2ccccc2)cc1 ZINC000011866463 559264212 /nfs/dbraw/zinc/26/42/12/559264212.db2.gz CBXDUUCPJPUXHV-UHFFFAOYSA-N 0 0 401.462 6.150 50 0 HKAARN COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 ZINC000011866464 559264243 /nfs/dbraw/zinc/26/42/43/559264243.db2.gz UGEKJYFKPHWVQT-UHFFFAOYSA-N 0 0 414.461 5.343 50 0 HKAARN Cc1cc(OCc2ccc(Cl)cc2F)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000011866599 559264197 /nfs/dbraw/zinc/26/41/97/559264197.db2.gz NQRHYQSTYSVFFQ-UHFFFAOYSA-N 0 0 422.883 6.372 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(Cl)cc4F)ccc23)cc1 ZINC000011866631 559264207 /nfs/dbraw/zinc/26/42/07/559264207.db2.gz IKUVGXQEBQWHSU-UHFFFAOYSA-N 0 0 424.855 6.149 50 0 HKAARN O=c1oc2cc(OCc3cccc(Br)c3)c(Cl)cc2c2c1CCCC2 ZINC000011866766 559264350 /nfs/dbraw/zinc/26/43/50/559264350.db2.gz XCAVJOUFUHRGJG-UHFFFAOYSA-N 0 0 419.702 5.667 50 0 HKAARN CCc1cc2c(cc1OCc1ccc(OC)cc1)occ(-c1nc(C)cs1)c2=O ZINC000011867283 559263672 /nfs/dbraw/zinc/26/36/72/559263672.db2.gz GLGYZDBKEBVULS-UHFFFAOYSA-N 0 0 407.491 5.375 50 0 HKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(OC)cc1 ZINC000011867284 559263658 /nfs/dbraw/zinc/26/36/58/559263658.db2.gz ATTBISVVNCDBSA-UHFFFAOYSA-N 0 0 421.522 5.364 50 0 HKAARN CCc1cc2c(cc1OCc1ccc(C)cc1)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867291 559263669 /nfs/dbraw/zinc/26/36/69/559263669.db2.gz KNWJOUKQAAKKEU-UHFFFAOYSA-N 0 0 406.507 5.257 50 0 HKAARN CCc1cc2c(cc1OCc1ccccc1F)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867294 559263617 /nfs/dbraw/zinc/26/36/17/559263617.db2.gz ICZIJZBBNSGAAR-UHFFFAOYSA-N 0 0 410.470 5.088 50 0 HKAARN CCc1cc2c(cc1OCc1cccc(C)c1)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867295 559263642 /nfs/dbraw/zinc/26/36/42/559263642.db2.gz PCWLQJHWGOPOFE-UHFFFAOYSA-N 0 0 406.507 5.257 50 0 HKAARN CCc1cc2c(cc1OCc1ccc(F)cc1)oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867298 559263615 /nfs/dbraw/zinc/26/36/15/559263615.db2.gz MMNLJWWFGGAYKB-UHFFFAOYSA-N 0 0 410.470 5.088 50 0 HKAARN CCc1cc(-c2[nH]nc(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccc(F)cc1 ZINC000011867304 559263655 /nfs/dbraw/zinc/26/36/55/559263655.db2.gz YZKJEVKPFSPNFH-UHFFFAOYSA-N 0 0 424.501 5.077 50 0 HKAARN CCc1cc(-c2[nH]nc(N)c2-c2nc(C)cs2)c(O)cc1OCc1cccc(C)c1 ZINC000011867306 559263631 /nfs/dbraw/zinc/26/36/31/559263631.db2.gz NFYMWDDMMHKRRS-UHFFFAOYSA-N 0 0 420.538 5.246 50 0 HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc12 ZINC000011867410 559264414 /nfs/dbraw/zinc/26/44/14/559264414.db2.gz RYVHNRLAYRNZAW-UHFFFAOYSA-N 0 0 423.896 5.101 50 0 HKAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4ccccc4Cl)c(=O)oc3c2C)c1C ZINC000011867427 559264434 /nfs/dbraw/zinc/26/44/34/559264434.db2.gz RRMLDCYCAJQBHY-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4cccc(Cl)c4)c(=O)oc3c2C)c1C ZINC000011867433 559264433 /nfs/dbraw/zinc/26/44/33/559264433.db2.gz JJVIBDAIKHICBK-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3ccc(Cl)cc3)c(C)c21 ZINC000011867434 559264402 /nfs/dbraw/zinc/26/44/02/559264402.db2.gz UIIWOWBQEIWWMF-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3cccc(Cl)c3)c(C)c21 ZINC000011867435 559264548 /nfs/dbraw/zinc/26/45/48/559264548.db2.gz XIKPLMZAPZHCPP-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4ccc(Cl)cc4)c(=O)oc3c2C)c1C ZINC000011867450 558289900 /nfs/dbraw/zinc/28/99/00/558289900.db2.gz JPIIVNGALINZTG-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc2c1C ZINC000011867451 558289978 /nfs/dbraw/zinc/28/99/78/558289978.db2.gz KKEWXHXZUMVPBI-UHFFFAOYSA-N 0 0 423.896 5.019 50 0 HKAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)c(OC)c1)CC3=O ZINC000011867455 559264546 /nfs/dbraw/zinc/26/45/46/559264546.db2.gz INAWCEXECMPPAV-IBGZPJMESA-N 0 0 422.477 5.168 50 0 biogenic HKAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)c(OC)c1)CC3=O ZINC000011867456 559264544 /nfs/dbraw/zinc/26/45/44/559264544.db2.gz INAWCEXECMPPAV-LJQANCHMSA-N 0 0 422.477 5.168 50 0 biogenic HKAARN Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@H](c1ccc(Br)cc1)O2 ZINC000011867459 559264538 /nfs/dbraw/zinc/26/45/38/559264538.db2.gz VPIMUBYWAXPFRG-MRXNPFEDSA-N 0 0 413.267 5.187 50 0 HKAARN Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@@H](c1ccc(Br)cc1)O2 ZINC000011867460 559264571 /nfs/dbraw/zinc/26/45/71/559264571.db2.gz VPIMUBYWAXPFRG-INIZCTEOSA-N 0 0 413.267 5.187 50 0 HKAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3ccccc3Cl)c(C)c21 ZINC000011867543 559264559 /nfs/dbraw/zinc/26/45/59/559264559.db2.gz ZIBIZQJDBWEBDA-UHFFFAOYSA-N 0 0 423.896 5.285 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccc(Cl)cc3)c(=O)oc1c2C ZINC000011867544 559264570 /nfs/dbraw/zinc/26/45/70/559264570.db2.gz CLPYGYGYHHRCJQ-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C ZINC000011867545 559264564 /nfs/dbraw/zinc/26/45/64/559264564.db2.gz ZLJZXUJDLRNKPV-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccccc3Cl)c(=O)oc1c2C ZINC000011867557 559264566 /nfs/dbraw/zinc/26/45/66/559264566.db2.gz LQOFCWIAYZQDBI-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3cccc(Cl)c3)c(=O)oc1c2C ZINC000011867558 559264552 /nfs/dbraw/zinc/26/45/52/559264552.db2.gz JQUJPEFOMMFCER-UHFFFAOYSA-N 0 0 423.896 5.367 50 0 HKAARN CCOC(=O)c1c(C)oc2ccc3oc(=O)c(-c4nc5ccccc5s4)cc3c21 ZINC000011867638 569399112 /nfs/dbraw/zinc/39/91/12/569399112.db2.gz ULHDCZQCGRDOLY-UHFFFAOYSA-N 0 0 405.431 5.301 50 0 HKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2cc(C)c(Cl)cc21 ZINC000011869910 569399046 /nfs/dbraw/zinc/39/90/46/569399046.db2.gz CVAGJUGPWLOMJJ-UHFFFAOYSA-N 0 0 403.659 6.239 50 0 HKAARN COc1ccc(-n2cc(CN(C)[C@@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872869 558290679 /nfs/dbraw/zinc/29/06/79/558290679.db2.gz GFJXNWRAIUGKBW-INIZCTEOSA-N 0 0 422.529 5.337 50 0 HKAARN COc1ccc(-n2cc(CN(C)[C@H](C)c3nccs3)c(-c3cccc(F)c3)n2)cc1 ZINC000011872870 558290869 /nfs/dbraw/zinc/29/08/69/558290869.db2.gz GFJXNWRAIUGKBW-MRXNPFEDSA-N 0 0 422.529 5.337 50 0 HKAARN CSCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000011873932 558291476 /nfs/dbraw/zinc/29/14/76/558291476.db2.gz HQRFHDYHMSUFLO-NRFANRHFSA-N 0 0 418.484 5.414 50 0 HKAARN CSCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000011873933 558291526 /nfs/dbraw/zinc/29/15/26/558291526.db2.gz HQRFHDYHMSUFLO-OAQYLSRUSA-N 0 0 418.484 5.414 50 0 HKAARN COc1cccc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)c2)c1 ZINC000011874148 558291701 /nfs/dbraw/zinc/29/17/01/558291701.db2.gz KGNAEGBJPGEHMR-MUUNZHRXSA-N 0 0 424.544 5.592 50 0 HKAARN COc1cccc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)c1 ZINC000011874149 558291687 /nfs/dbraw/zinc/29/16/87/558291687.db2.gz KGNAEGBJPGEHMR-NDEPHWFRSA-N 0 0 424.544 5.592 50 0 HKAARN CC(=O)CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000011874331 558291994 /nfs/dbraw/zinc/29/19/94/558291994.db2.gz JYHHKOUZSPCFKB-QFIPXVFZSA-N 0 0 414.427 5.030 50 0 HKAARN CC(=O)CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000011874332 558291963 /nfs/dbraw/zinc/29/19/63/558291963.db2.gz JYHHKOUZSPCFKB-JOCHJYFZSA-N 0 0 414.427 5.030 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC(Oc2ccccc2F)CC1 ZINC000011874345 558291872 /nfs/dbraw/zinc/29/18/72/558291872.db2.gz HHPJYAYMWOJWSS-UHFFFAOYSA-N 0 0 400.881 5.486 50 0 HKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2cn(C)nc2C)c(C)s1 ZINC000011874785 558292226 /nfs/dbraw/zinc/29/22/26/558292226.db2.gz LBNCIEAOOBDLDW-UHFFFAOYSA-N 0 0 423.561 5.031 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2occc2C)cc1 ZINC000011874794 558292316 /nfs/dbraw/zinc/29/23/16/558292316.db2.gz UPXZUVITJQNXCF-HSZRJFAPSA-N 0 0 400.478 5.256 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2occc2C)cc1 ZINC000011874795 558292442 /nfs/dbraw/zinc/29/24/42/558292442.db2.gz UPXZUVITJQNXCF-QHCPKHFHSA-N 0 0 400.478 5.256 50 0 HKAARN COc1ccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c2cccnc12 ZINC000011878794 558293352 /nfs/dbraw/zinc/29/33/52/558293352.db2.gz WIYVNANQHTWLCG-UHFFFAOYSA-N 0 0 407.901 5.492 50 0 HKAARN Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc3ccccc32)oc1C)C1CC1 ZINC000011879025 558293712 /nfs/dbraw/zinc/29/37/12/558293712.db2.gz BOPLNMFAWBFQBL-UHFFFAOYSA-N 0 0 400.526 5.318 50 0 HKAARN C[C@@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1cccs1 ZINC000011879046 558293648 /nfs/dbraw/zinc/29/36/48/558293648.db2.gz UPVLHVPMCKCBTO-QGZVFWFLSA-N 0 0 417.534 5.199 50 0 HKAARN C[C@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1cccs1 ZINC000011879047 558293589 /nfs/dbraw/zinc/29/35/89/558293589.db2.gz UPVLHVPMCKCBTO-KRWDZBQOSA-N 0 0 417.534 5.199 50 0 HKAARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000011879402 558293968 /nfs/dbraw/zinc/29/39/68/558293968.db2.gz VYYALAYTWQZTTQ-UHFFFAOYSA-N 0 0 419.506 5.182 50 0 HKAARN COc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1 ZINC000011879643 558294252 /nfs/dbraw/zinc/29/42/52/558294252.db2.gz UQGZIFIVJAUSSS-UHFFFAOYSA-N 0 0 412.917 5.355 50 0 HKAARN Cc1nn(C)c(C)c1CN(C(=O)c1ccc2nc(C3CCCCC3)oc2c1)C1CC1 ZINC000011879876 558294525 /nfs/dbraw/zinc/29/45/25/558294525.db2.gz XTIUPIQDROWEQD-UHFFFAOYSA-N 0 0 406.530 5.031 50 0 HKAARN Cc1csc(CN(C)C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)n1 ZINC000011879937 558294442 /nfs/dbraw/zinc/29/44/42/558294442.db2.gz BCCJXUKKSBCFGW-UHFFFAOYSA-N 0 0 405.523 5.040 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880078 558294705 /nfs/dbraw/zinc/29/47/05/558294705.db2.gz DBAXUJCCLCCYQN-GOSISDBHSA-N 0 0 410.489 5.089 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880079 558294677 /nfs/dbraw/zinc/29/46/77/558294677.db2.gz DBAXUJCCLCCYQN-SFHVURJKSA-N 0 0 410.489 5.089 50 0 HKAARN Cc1cccc(C(=O)N2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000011881331 559265181 /nfs/dbraw/zinc/26/51/81/559265181.db2.gz LKLXBMMWPSSQDE-HXUWFJFHSA-N 0 0 403.501 5.228 50 0 HKAARN Cc1cccc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1C ZINC000011881332 559265113 /nfs/dbraw/zinc/26/51/13/559265113.db2.gz LKLXBMMWPSSQDE-FQEVSTJZSA-N 0 0 403.501 5.228 50 0 HKAARN CCn1ccnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 ZINC000011890610 559265241 /nfs/dbraw/zinc/26/52/41/559265241.db2.gz DZFYWLPDDSOCIK-UHFFFAOYSA-N 0 0 420.991 5.607 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011902634 559265707 /nfs/dbraw/zinc/26/57/07/559265707.db2.gz SVOXERARUJZOFI-UHFFFAOYSA-N 0 0 401.850 5.116 50 0 HKAARN C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000011903091 559265773 /nfs/dbraw/zinc/26/57/73/559265773.db2.gz LIVZGUNGDXPCKP-CYBMUJFWSA-N 0 0 403.429 5.282 50 0 HKAARN C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000011903093 559265841 /nfs/dbraw/zinc/26/58/41/559265841.db2.gz LIVZGUNGDXPCKP-ZDUSSCGKSA-N 0 0 403.429 5.282 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c(C)c1 ZINC000011903171 559265821 /nfs/dbraw/zinc/26/58/21/559265821.db2.gz REVVRZIJZKPPLP-UHFFFAOYSA-N 0 0 404.539 5.155 50 0 HKAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4cccc(Cl)c4C)n3c12 ZINC000011903177 559265809 /nfs/dbraw/zinc/26/58/09/559265809.db2.gz JTOHAKWVHZEKPK-UHFFFAOYSA-N 0 0 410.930 5.192 50 0 HKAARN COc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)C(C)C)C2CC2)c1 ZINC000011909349 558296388 /nfs/dbraw/zinc/29/63/88/558296388.db2.gz ZUDGYMDIDPYTHS-UHFFFAOYSA-N 0 0 418.537 5.374 50 0 HKAARN C[C@@H](NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccco1 ZINC000011911334 558296943 /nfs/dbraw/zinc/29/69/43/558296943.db2.gz AMUAWRHLPFWEKM-QGZVFWFLSA-N 0 0 422.912 5.178 50 0 HKAARN C[C@H](NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccco1 ZINC000011911335 558296936 /nfs/dbraw/zinc/29/69/36/558296936.db2.gz AMUAWRHLPFWEKM-KRWDZBQOSA-N 0 0 422.912 5.178 50 0 HKAARN COc1cc(CN(Cc2ccccn2)C(=O)C(C)C)ccc1OC1CCCCCC1 ZINC000011912381 558297073 /nfs/dbraw/zinc/29/70/73/558297073.db2.gz UDYSXULLDKNUTJ-UHFFFAOYSA-N 0 0 410.558 5.377 50 0 HKAARN CCC(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000011913524 558297384 /nfs/dbraw/zinc/29/73/84/558297384.db2.gz CXDAYWCAAWYZGN-AWEZNQCLSA-N 0 0 406.983 5.180 50 0 HKAARN CCC(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000011913525 558297364 /nfs/dbraw/zinc/29/73/64/558297364.db2.gz CXDAYWCAAWYZGN-CQSZACIVSA-N 0 0 406.983 5.180 50 0 HKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000011913740 559267069 /nfs/dbraw/zinc/26/70/69/559267069.db2.gz GROGQWCGXAZLNI-UHFFFAOYSA-N 0 0 405.454 5.395 50 0 HKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000011913741 559267050 /nfs/dbraw/zinc/26/70/50/559267050.db2.gz XNDGNVHKNKCCOB-UHFFFAOYSA-N 0 0 411.845 5.486 50 0 HKAARN c1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1-c1ccc2c(c1)OCCO2 ZINC000011913827 559267099 /nfs/dbraw/zinc/26/70/99/559267099.db2.gz HGHKXCMUTCQBRD-IZHYLOQSSA-N 0 0 400.503 5.269 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000011913877 559267089 /nfs/dbraw/zinc/26/70/89/559267089.db2.gz JIMAMGUBMTUUDX-UHFFFAOYSA-N 0 0 402.784 5.889 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913970 559267067 /nfs/dbraw/zinc/26/70/67/559267067.db2.gz BCDGQMPCVJQMKF-UHFFFAOYSA-N 0 0 411.845 5.484 50 0 HKAARN CCc1ccc2oc(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)c(C)c2c1 ZINC000011913972 559267062 /nfs/dbraw/zinc/26/70/62/559267062.db2.gz ADELIBBXSFGDQB-UHFFFAOYSA-N 0 0 405.454 5.393 50 0 HKAARN CCCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000011914156 559267498 /nfs/dbraw/zinc/26/74/98/559267498.db2.gz GHFWKTQUWHXXJS-UHFFFAOYSA-N 0 0 405.454 5.531 50 0 HKAARN Cc1cc2oc(C(=O)Nc3cc4ccc(Cl)cc4s3)cc(=O)c2cc1Cl ZINC000011914299 559267502 /nfs/dbraw/zinc/26/75/02/559267502.db2.gz NEKRTJZVAUNAHG-UHFFFAOYSA-N 0 0 404.274 5.875 50 0 HKAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000011914332 559267490 /nfs/dbraw/zinc/26/74/90/559267490.db2.gz MARZFUWOGFZICO-UHFFFAOYSA-N 0 0 414.284 5.275 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000011914342 559267448 /nfs/dbraw/zinc/26/74/48/559267448.db2.gz WVYGBXQCJWSQPI-UHFFFAOYSA-N 0 0 401.850 5.613 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(F)cc2)cc1Cl ZINC000011914364 559267478 /nfs/dbraw/zinc/26/74/78/559267478.db2.gz QDNZTFWUUOCCGQ-RWEWTDSWSA-N 0 0 424.928 6.298 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914441 559267480 /nfs/dbraw/zinc/26/74/80/559267480.db2.gz BQQDZJNOIHGEQZ-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)ccc1Cl ZINC000011914476 559267579 /nfs/dbraw/zinc/26/75/79/559267579.db2.gz SHOIZTHKPWBVKR-UHFFFAOYSA-N 0 0 401.293 5.309 50 0 HKAARN CCc1ccc2oc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)c(C)c2c1 ZINC000011914513 559267578 /nfs/dbraw/zinc/26/75/78/559267578.db2.gz LSDNYRMWIDFSEQ-UHFFFAOYSA-N 0 0 412.514 6.833 50 0 HKAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C ZINC000011914516 559267584 /nfs/dbraw/zinc/26/75/84/559267584.db2.gz GDONXWLWYRSGRL-QGZVFWFLSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C ZINC000011914517 559267574 /nfs/dbraw/zinc/26/75/74/559267574.db2.gz GDONXWLWYRSGRL-KRWDZBQOSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000011914518 559267595 /nfs/dbraw/zinc/26/75/95/559267595.db2.gz UWUKMYZLHISBCR-UHFFFAOYSA-N 0 0 408.885 5.864 50 0 HKAARN Cc1cc2sc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)nc2c(C)c1 ZINC000011914532 559267608 /nfs/dbraw/zinc/26/76/08/559267608.db2.gz FMRYRUDFRUBURI-CYBMUJFWSA-N 0 0 405.479 5.144 50 0 HKAARN Cc1cc2sc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)nc2c(C)c1 ZINC000011914533 559267580 /nfs/dbraw/zinc/26/75/80/559267580.db2.gz FMRYRUDFRUBURI-ZDUSSCGKSA-N 0 0 405.479 5.144 50 0 HKAARN Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000011914557 559267596 /nfs/dbraw/zinc/26/75/96/559267596.db2.gz VTCIQUCIBHHKSU-UHFFFAOYSA-N 0 0 416.340 5.431 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1Cl ZINC000011914705 559267586 /nfs/dbraw/zinc/26/75/86/559267586.db2.gz ZCFUNHKFUKIFHB-OAHLLOKOSA-N 0 0 406.869 5.863 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1Cl ZINC000011914706 559267603 /nfs/dbraw/zinc/26/76/03/559267603.db2.gz ZCFUNHKFUKIFHB-HNNXBMFYSA-N 0 0 406.869 5.863 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011914709 559267585 /nfs/dbraw/zinc/26/75/85/559267585.db2.gz YDOJTEMWJRXSAK-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011914736 559267600 /nfs/dbraw/zinc/26/76/00/559267600.db2.gz QTLXVHVWKUDFME-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914737 559267598 /nfs/dbraw/zinc/26/75/98/559267598.db2.gz GLRZDJHBGZCOOT-UHFFFAOYSA-N 0 0 402.450 6.409 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000011914839 559267639 /nfs/dbraw/zinc/26/76/39/559267639.db2.gz AFCCUYJUPZCJIN-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000011914866 559267654 /nfs/dbraw/zinc/26/76/54/559267654.db2.gz SQXFQQMPNHMCQP-SFHVURJKSA-N 0 0 406.526 5.433 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000011914867 559267669 /nfs/dbraw/zinc/26/76/69/559267669.db2.gz SQXFQQMPNHMCQP-GOSISDBHSA-N 0 0 406.526 5.433 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000011914877 559267681 /nfs/dbraw/zinc/26/76/81/559267681.db2.gz OPFBNQUZWHDIEC-UHFFFAOYSA-N 0 0 424.953 6.333 50 0 HKAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000011914906 559267635 /nfs/dbraw/zinc/26/76/35/559267635.db2.gz BUIQQMSVJNQMER-KRWDZBQOSA-N 0 0 400.478 6.024 50 0 HKAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000011914907 559267696 /nfs/dbraw/zinc/26/76/96/559267696.db2.gz BUIQQMSVJNQMER-QGZVFWFLSA-N 0 0 400.478 6.024 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000011914922 559267702 /nfs/dbraw/zinc/26/77/02/559267702.db2.gz LDGWHACZWDMGHE-UHFFFAOYSA-N 0 0 414.284 5.275 50 0 HKAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000011915078 559267751 /nfs/dbraw/zinc/26/77/51/559267751.db2.gz VZSRGQNYVBTPHL-UHFFFAOYSA-N 0 0 422.550 5.067 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1 ZINC000011915139 559267764 /nfs/dbraw/zinc/26/77/64/559267764.db2.gz SPUVWBXXCKIUQM-UHFFFAOYSA-N 0 0 410.779 5.665 50 0 HKAARN Cc1cc2oc(C(=O)Nc3onc4c3C[C@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl ZINC000011915235 559267754 /nfs/dbraw/zinc/26/77/54/559267754.db2.gz APRPUDVISBSSSQ-GFCCVEGCSA-N 0 0 414.889 5.146 50 0 HKAARN Cc1cc2oc(C(=O)Nc3onc4c3C[C@@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl ZINC000011915237 559267766 /nfs/dbraw/zinc/26/77/66/559267766.db2.gz APRPUDVISBSSSQ-LBPRGKRZSA-N 0 0 414.889 5.146 50 0 HKAARN CCCOc1ccccc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000011915239 559267796 /nfs/dbraw/zinc/26/77/96/559267796.db2.gz YVQSGCPNNIVJRG-UHFFFAOYSA-N 0 0 401.260 5.145 50 0 HKAARN Cc1ccccc1Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000011915388 559267761 /nfs/dbraw/zinc/26/77/61/559267761.db2.gz XHTBIEKQKRCTQV-UHFFFAOYSA-N 0 0 419.937 6.768 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 ZINC000011915522 559267748 /nfs/dbraw/zinc/26/77/48/559267748.db2.gz GIUPAEAGMPVQSR-UHFFFAOYSA-N 0 0 405.454 5.387 50 0 HKAARN CCCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1OCCC ZINC000011915548 559267752 /nfs/dbraw/zinc/26/77/52/559267752.db2.gz GNFBQYOXMRRWLN-UHFFFAOYSA-N 0 0 415.877 5.220 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000011915924 559267920 /nfs/dbraw/zinc/26/79/20/559267920.db2.gz AIRAKTUHVQILDF-UHFFFAOYSA-N 0 0 408.567 5.513 50 0 HKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000011916102 559267241 /nfs/dbraw/zinc/26/72/41/559267241.db2.gz YESGPTDVFINRNJ-UHFFFAOYSA-N 0 0 418.880 5.851 50 0 HKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916115 559267228 /nfs/dbraw/zinc/26/72/28/559267228.db2.gz WIGQUHYCPUGNEF-UHFFFAOYSA-N 0 0 402.837 5.478 50 0 HKAARN CCCSc1ncc(Br)c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000011916166 559267235 /nfs/dbraw/zinc/26/72/35/559267235.db2.gz QOKBQUVJVLXMAT-UHFFFAOYSA-N 0 0 420.254 5.012 50 0 HKAARN CC(C)c1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000011916227 559267245 /nfs/dbraw/zinc/26/72/45/559267245.db2.gz RYISYEOITGUEGQ-KRWDZBQOSA-N 0 0 408.567 5.593 50 0 HKAARN CC(C)c1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000011916229 559267226 /nfs/dbraw/zinc/26/72/26/559267226.db2.gz RYISYEOITGUEGQ-QGZVFWFLSA-N 0 0 408.567 5.593 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000011916236 559267188 /nfs/dbraw/zinc/26/71/88/559267188.db2.gz KUDVMIDWDZVXCT-UHFFFAOYSA-N 0 0 401.915 5.331 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1 ZINC000011916246 559267204 /nfs/dbraw/zinc/26/72/04/559267204.db2.gz DTXHUMIWGDTTKV-UHFFFAOYSA-N 0 0 402.313 5.366 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1 ZINC000011916264 559267325 /nfs/dbraw/zinc/26/73/25/559267325.db2.gz CVKVQZBAIZYMBC-UHFFFAOYSA-N 0 0 402.313 5.366 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C(C)C)cc3)no2)cc1 ZINC000011916464 559267260 /nfs/dbraw/zinc/26/72/60/559267260.db2.gz HCGHYNSFDFBWDN-UHFFFAOYSA-N 0 0 414.505 6.209 50 0 HKAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000011916467 559267340 /nfs/dbraw/zinc/26/73/40/559267340.db2.gz FJEMYKNCIQQNMV-UHFFFAOYSA-N 0 0 400.478 5.648 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)no2)cc1 ZINC000011916469 559267291 /nfs/dbraw/zinc/26/72/91/559267291.db2.gz LFMIPAULZQJVJO-UHFFFAOYSA-N 0 0 406.869 5.739 50 0 HKAARN CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000011916475 559267274 /nfs/dbraw/zinc/26/72/74/559267274.db2.gz JNDZAKSCUWCPGW-UHFFFAOYSA-N 0 0 412.489 5.896 50 0 HKAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011916479 559267398 /nfs/dbraw/zinc/26/73/98/559267398.db2.gz QJZKUJXBMUPXAE-UHFFFAOYSA-N 0 0 416.321 5.103 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000011916546 559267412 /nfs/dbraw/zinc/26/74/12/559267412.db2.gz CMKUDVXTIVCZQA-UHFFFAOYSA-N 0 0 409.551 5.666 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl ZINC000011916656 559267400 /nfs/dbraw/zinc/26/74/00/559267400.db2.gz HQKOSSXEIZNAHC-OAHLLOKOSA-N 0 0 414.958 5.432 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl ZINC000011916658 559267414 /nfs/dbraw/zinc/26/74/14/559267414.db2.gz HQKOSSXEIZNAHC-HNNXBMFYSA-N 0 0 414.958 5.432 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000011916666 559267402 /nfs/dbraw/zinc/26/74/02/559267402.db2.gz APKYRLHGODKXIM-SFHVURJKSA-N 0 0 422.594 5.902 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000011916667 559267411 /nfs/dbraw/zinc/26/74/11/559267411.db2.gz APKYRLHGODKXIM-GOSISDBHSA-N 0 0 422.594 5.902 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011916854 559268145 /nfs/dbraw/zinc/26/81/45/559268145.db2.gz DCEYMUNMOSBYKQ-UHFFFAOYSA-N 0 0 424.762 5.037 50 0 HKAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000011916943 558297415 /nfs/dbraw/zinc/29/74/15/558297415.db2.gz IJGSODJVAUCBQY-UHFFFAOYSA-N 0 0 406.960 5.161 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nonc1-c1ccc(Br)cc1 ZINC000011917303 559267927 /nfs/dbraw/zinc/26/79/27/559267927.db2.gz RWIWSZNMFGKBOJ-UHFFFAOYSA-N 0 0 412.243 5.114 50 0 HKAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc(Br)cc3)sc2C1 ZINC000011917322 559267965 /nfs/dbraw/zinc/26/79/65/559267965.db2.gz DJFFQJROYKVNOH-GFCCVEGCSA-N 0 0 423.376 5.074 50 0 HKAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccc(Br)cc3)sc2C1 ZINC000011917323 559268013 /nfs/dbraw/zinc/26/80/13/559268013.db2.gz DJFFQJROYKVNOH-LBPRGKRZSA-N 0 0 423.376 5.074 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1ccccc1F ZINC000011917448 559267959 /nfs/dbraw/zinc/26/79/59/559267959.db2.gz AYVWDPKZMBCBLO-UHFFFAOYSA-N 0 0 410.832 5.570 50 0 HKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011917561 559267995 /nfs/dbraw/zinc/26/79/95/559267995.db2.gz IVXOGYIQDYZISX-UHFFFAOYSA-N 0 0 412.898 5.801 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(Br)cc2)CC1 ZINC000011917629 559267953 /nfs/dbraw/zinc/26/79/53/559267953.db2.gz DIOVLBOJYQRCCG-UHFFFAOYSA-N 0 0 406.324 5.434 50 0 HKAARN CSc1ncc(Sc2ccc(C)cc2)c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000011917648 559267985 /nfs/dbraw/zinc/26/79/85/559267985.db2.gz VOLDMGVRFUIWER-UHFFFAOYSA-N 0 0 401.944 5.564 50 0 HKAARN O=C(COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000011917659 559267986 /nfs/dbraw/zinc/26/79/86/559267986.db2.gz HJYUDJXZTJQXIE-UHFFFAOYSA-N 0 0 415.276 5.263 50 0 HKAARN COc1ccc(-n2cc(CN[C@@H](C)c3csc(C)n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011932710 558297376 /nfs/dbraw/zinc/29/73/76/558297376.db2.gz FSKKRCHHMMTPSW-HNNXBMFYSA-N 0 0 422.529 5.303 50 0 HKAARN COc1ccc(-n2cc(CN[C@H](C)c3csc(C)n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011932711 558297369 /nfs/dbraw/zinc/29/73/69/558297369.db2.gz FSKKRCHHMMTPSW-OAHLLOKOSA-N 0 0 422.529 5.303 50 0 HKAARN CSc1ccccc1OCc1cc(C(=O)N(C)Cc2cc3ccccc3s2)no1 ZINC000011933900 558298397 /nfs/dbraw/zinc/29/83/97/558298397.db2.gz GHHGLUPQSCOLEE-UHFFFAOYSA-N 0 0 424.547 5.462 50 0 HKAARN COc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934434 558298704 /nfs/dbraw/zinc/29/87/04/558298704.db2.gz YWIGEJCLONLBBY-QHCPKHFHSA-N 0 0 422.525 5.403 50 0 HKAARN COc1cccc([C@H]2CCCCN2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934435 558298653 /nfs/dbraw/zinc/29/86/53/558298653.db2.gz YWIGEJCLONLBBY-HSZRJFAPSA-N 0 0 422.525 5.403 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(c2ccccn2)CC1 ZINC000011934650 132352413 /nfs/dbraw/zinc/35/24/13/132352413.db2.gz XWQQYXITSXNBPG-UHFFFAOYSA-N 0 0 410.521 5.034 50 0 HKAARN Cc1ccccc1OC1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011934960 558299161 /nfs/dbraw/zinc/29/91/61/558299161.db2.gz NWRBXGUFDPVPBR-UHFFFAOYSA-N 0 0 417.431 5.107 50 0 HKAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3C)cn12 ZINC000011936063 558300245 /nfs/dbraw/zinc/30/02/45/558300245.db2.gz PQQHJZNLEKJONP-MRXNPFEDSA-N 0 0 405.523 5.213 50 0 HKAARN COc1ccccc1[C@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3C)cn12 ZINC000011936064 558300159 /nfs/dbraw/zinc/30/01/59/558300159.db2.gz PQQHJZNLEKJONP-INIZCTEOSA-N 0 0 405.523 5.213 50 0 HKAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2ccccc2)CC1 ZINC000011936321 558300155 /nfs/dbraw/zinc/30/01/55/558300155.db2.gz QUHNVIUKYQAMAI-LJQANCHMSA-N 0 0 401.535 5.473 50 0 HKAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@H](c2ccccc2)CC1 ZINC000011936322 558300223 /nfs/dbraw/zinc/30/02/23/558300223.db2.gz QUHNVIUKYQAMAI-IBGZPJMESA-N 0 0 401.535 5.473 50 0 HKAARN CN(Cc1ccc2ncccc2c1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011936398 558300463 /nfs/dbraw/zinc/30/04/63/558300463.db2.gz ZYBCFMXWTXGGAD-UHFFFAOYSA-N 0 0 416.481 5.022 50 0 HKAARN CC(=O)c1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cs1 ZINC000011955502 558303600 /nfs/dbraw/zinc/30/36/00/558303600.db2.gz QQCLJJPLEGDOQK-QHCPKHFHSA-N 0 0 418.493 5.359 50 0 HKAARN CC(=O)c1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cs1 ZINC000011955508 558303612 /nfs/dbraw/zinc/30/36/12/558303612.db2.gz QQCLJJPLEGDOQK-HSZRJFAPSA-N 0 0 418.493 5.359 50 0 HKAARN Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4o3)c3c(C)noc3n2)s1 ZINC000011960374 559269268 /nfs/dbraw/zinc/26/92/68/559269268.db2.gz AWVMJHDCFQMBNQ-UHFFFAOYSA-N 0 0 405.435 5.066 50 0 HKAARN Cc1nc(/C=C/C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cs1 ZINC000011975948 560776068 /nfs/dbraw/zinc/77/60/68/560776068.db2.gz XDUKIMBKWDKFPI-VMPITWQZSA-N 0 0 407.467 5.137 50 0 HKAARN COc1ccc([C@@H]2CCN(Cc3c(F)cccc3F)c3c(C)cccc3S2)cc1 ZINC000011981229 558306072 /nfs/dbraw/zinc/30/60/72/558306072.db2.gz DMGDZICCEJXAGT-QFIPXVFZSA-N 0 0 411.517 6.526 50 0 HKAARN COc1ccc([C@H]2CCN(Cc3c(F)cccc3F)c3c(C)cccc3S2)cc1 ZINC000011981235 558306041 /nfs/dbraw/zinc/30/60/41/558306041.db2.gz DMGDZICCEJXAGT-JOCHJYFZSA-N 0 0 411.517 6.526 50 0 HKAARN O=C(Nc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1Cl)c1cccs1 ZINC000011985860 559269822 /nfs/dbraw/zinc/26/98/22/559269822.db2.gz SUVZRYKMOPEVOY-UHFFFAOYSA-N 0 0 417.943 5.241 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000011990358 558306324 /nfs/dbraw/zinc/30/63/24/558306324.db2.gz KZRUWMSYXHVGOU-YLJYHZDGSA-N 0 0 413.246 5.424 50 0 HKAARN COC(=O)c1coc(C)c1COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000011995066 558306435 /nfs/dbraw/zinc/30/64/35/558306435.db2.gz ZQPZHEIMJQUCEE-UHFFFAOYSA-N 0 0 424.836 5.380 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000011996705 558306909 /nfs/dbraw/zinc/30/69/09/558306909.db2.gz LSZSPDQRMRWCAJ-UHFFFAOYSA-N 0 0 418.924 5.498 50 0 HKAARN CSc1ccc(-c2nc(CN(C)Cc3nc4cc(C)c(C)cc4[nH]3)c(C)o2)cc1 ZINC000011999470 558307881 /nfs/dbraw/zinc/30/78/81/558307881.db2.gz TWTHANZZDYHDRK-UHFFFAOYSA-N 0 0 406.555 5.497 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000011999823 559270545 /nfs/dbraw/zinc/27/05/45/559270545.db2.gz IDTALWZBLWGVCC-UHFFFAOYSA-N 0 0 412.558 5.834 50 0 HKAARN Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl ZINC000011999836 559270521 /nfs/dbraw/zinc/27/05/21/559270521.db2.gz LFFJYJADMFNSCO-UHFFFAOYSA-N 0 0 414.958 5.352 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002466 558308693 /nfs/dbraw/zinc/30/86/93/558308693.db2.gz HEDCZDAQXRCULZ-OAQYLSRUSA-N 0 0 418.537 5.073 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002475 558308686 /nfs/dbraw/zinc/30/86/86/558308686.db2.gz HEDCZDAQXRCULZ-NRFANRHFSA-N 0 0 418.537 5.073 50 0 HKAARN CC(C)(C)CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012002960 558308658 /nfs/dbraw/zinc/30/86/58/558308658.db2.gz LQUGDLXTKRHBOJ-HXUWFJFHSA-N 0 0 417.553 5.448 50 0 HKAARN CC(C)(C)CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012002966 558308727 /nfs/dbraw/zinc/30/87/27/558308727.db2.gz LQUGDLXTKRHBOJ-FQEVSTJZSA-N 0 0 417.553 5.448 50 0 HKAARN C[C@@H]1CCc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000012009017 132353016 /nfs/dbraw/zinc/35/30/16/132353016.db2.gz IFASAEYGOMPYOV-CQSZACIVSA-N 0 0 413.593 5.123 50 0 HKAARN C[C@H]1CCc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000012009019 132353051 /nfs/dbraw/zinc/35/30/51/132353051.db2.gz IFASAEYGOMPYOV-AWEZNQCLSA-N 0 0 413.593 5.123 50 0 HKAARN Cc1cccc(-c2cc(N3CCOCC3)nc(SCc3ccc(Cl)cc3)n2)c1 ZINC000012016183 132353055 /nfs/dbraw/zinc/35/30/55/132353055.db2.gz ZMYDMFCIPKHMJQ-UHFFFAOYSA-N 0 0 411.958 5.234 50 0 HKAARN COCCc1nc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)cc2o1 ZINC000012022347 558309717 /nfs/dbraw/zinc/30/97/17/558309717.db2.gz JQZLBFJQJRCWRY-QHCPKHFHSA-N 0 0 420.896 5.190 50 0 HKAARN COCCc1nc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)cc2o1 ZINC000012022350 558309749 /nfs/dbraw/zinc/30/97/49/558309749.db2.gz JQZLBFJQJRCWRY-HSZRJFAPSA-N 0 0 420.896 5.190 50 0 HKAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1Cl ZINC000012023020 560886987 /nfs/dbraw/zinc/88/69/87/560886987.db2.gz ALMVOJPBIQGKBV-UHFFFAOYSA-N 0 0 401.897 5.182 50 0 HKAARN CSc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012023572 560887003 /nfs/dbraw/zinc/88/70/03/560887003.db2.gz UARBJRKZXGYVHU-UHFFFAOYSA-N 0 0 413.546 5.250 50 0 HKAARN CC(C)Oc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000012023792 569399445 /nfs/dbraw/zinc/39/94/45/569399445.db2.gz YTRNXEASJGQJIJ-UHFFFAOYSA-N 0 0 411.505 5.257 50 0 HKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000012023861 569399442 /nfs/dbraw/zinc/39/94/42/569399442.db2.gz XIEMRWZNHASONN-UHFFFAOYSA-N 0 0 422.315 5.776 50 0 HKAARN O=C(c1cccnc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012027762 558310472 /nfs/dbraw/zinc/31/04/72/558310472.db2.gz ASEDWMKNXJGSIG-QFIPXVFZSA-N 0 0 421.422 5.370 50 0 HKAARN O=C(c1cccnc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012027765 558310351 /nfs/dbraw/zinc/31/03/51/558310351.db2.gz ASEDWMKNXJGSIG-JOCHJYFZSA-N 0 0 421.422 5.370 50 0 HKAARN CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)c1ccc(F)cc1 ZINC000012027909 558310406 /nfs/dbraw/zinc/31/04/06/558310406.db2.gz KMOZWNMNMPWVEL-QFIPXVFZSA-N 0 0 406.501 5.442 50 0 HKAARN CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)c1ccc(F)cc1 ZINC000012027913 558310445 /nfs/dbraw/zinc/31/04/45/558310445.db2.gz KMOZWNMNMPWVEL-JOCHJYFZSA-N 0 0 406.501 5.442 50 0 HKAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 ZINC000012029845 558311048 /nfs/dbraw/zinc/31/10/48/558311048.db2.gz QSUGDNFGKNQXCF-OAQYLSRUSA-N 0 0 418.537 5.009 50 0 HKAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 ZINC000012029850 558311006 /nfs/dbraw/zinc/31/10/06/558311006.db2.gz QSUGDNFGKNQXCF-NRFANRHFSA-N 0 0 418.537 5.009 50 0 HKAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(Oc2nc(C)cc(C)n2)c1 ZINC000012032672 560887248 /nfs/dbraw/zinc/88/72/48/560887248.db2.gz RLJXUZBTWDNJNJ-UHFFFAOYSA-N 0 0 418.280 5.453 50 0 HKAARN Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000012035063 558311637 /nfs/dbraw/zinc/31/16/37/558311637.db2.gz MZONARFWHVKMKO-UHFFFAOYSA-N 0 0 405.441 5.534 50 0 HKAARN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cccc3cccnc31)C2 ZINC000012036806 558311911 /nfs/dbraw/zinc/31/19/11/558311911.db2.gz KDWCSQHYQGRCGZ-UHFFFAOYSA-N 0 0 416.908 5.655 50 0 HKAARN CCC(=O)N(CCCOC)Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 ZINC000012037271 558312137 /nfs/dbraw/zinc/31/21/37/558312137.db2.gz FOQQMYYRMMCMSL-UHFFFAOYSA-N 0 0 410.945 5.639 50 0 HKAARN COc1ccc(CN(C(=O)c2cccc(Cl)c2)C2CCCC2)cc1OC(C)C ZINC000012037379 560887671 /nfs/dbraw/zinc/88/76/71/560887671.db2.gz HPOAZUFWDCYGPC-UHFFFAOYSA-N 0 0 401.934 5.721 50 0 HKAARN CCOc1ccccc1CNc1nc(C)c(-c2ccn(Cc3ccsc3)n2)s1 ZINC000012038125 558312394 /nfs/dbraw/zinc/31/23/94/558312394.db2.gz ZURAQTWYSNFXFA-UHFFFAOYSA-N 0 0 410.568 5.436 50 0 HKAARN COc1ccc(CCn2ccc(-c3sc(NCc4ccc(C)o4)nc3C)n2)cc1 ZINC000012039144 558312581 /nfs/dbraw/zinc/31/25/81/558312581.db2.gz FNKXGNKRPJDYCB-UHFFFAOYSA-N 0 0 408.527 5.080 50 0 HKAARN CSc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000012039775 560887644 /nfs/dbraw/zinc/88/76/44/560887644.db2.gz YKALZMHYYYIOFR-UHFFFAOYSA-N 0 0 404.535 5.053 50 0 HKAARN O=C(COc1ccc2ccccc2c1)Oc1ccc(Br)c2ccccc12 ZINC000012040036 558312576 /nfs/dbraw/zinc/31/25/76/558312576.db2.gz PSAZYFKLLGZJRH-UHFFFAOYSA-N 0 0 407.263 5.740 50 0 HKAARN O=C(Nc1ccc(I)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000012042209 558313018 /nfs/dbraw/zinc/31/30/18/558313018.db2.gz UDXISMPUNHLXBD-UHFFFAOYSA-N 0 0 423.637 5.457 50 0 HKAARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC ZINC000012042212 558313124 /nfs/dbraw/zinc/31/31/24/558313124.db2.gz XUZHHOTXXLJKEV-UHFFFAOYSA-N 0 0 420.292 5.243 50 0 HKAARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000012042233 558313126 /nfs/dbraw/zinc/31/31/26/558313126.db2.gz JLHLBIUVLGHFJC-UHFFFAOYSA-N 0 0 420.292 5.243 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 ZINC000012042944 558313315 /nfs/dbraw/zinc/31/33/15/558313315.db2.gz WBBMGNIMSNVMAM-CTNGQTDRSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccncc1)O2 ZINC000012042952 558313277 /nfs/dbraw/zinc/31/32/77/558313277.db2.gz SXBBPJLDOJWJHX-CTNGQTDRSA-N 0 0 406.283 5.086 50 0 HKAARN O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)C(c1ccccc1)c1ccccc1 ZINC000012050406 558313731 /nfs/dbraw/zinc/31/37/31/558313731.db2.gz BJZZNZSKWFQZQS-DEOSSOPVSA-N 0 0 420.512 5.000 50 0 HKAARN O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)C(c1ccccc1)c1ccccc1 ZINC000012050411 558313744 /nfs/dbraw/zinc/31/37/44/558313744.db2.gz BJZZNZSKWFQZQS-XMMPIXPASA-N 0 0 420.512 5.000 50 0 HKAARN CCCCN(C)C(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000012050701 558313750 /nfs/dbraw/zinc/31/37/50/558313750.db2.gz CWQSBARRARSMLB-UHFFFAOYSA-N 0 0 421.570 5.008 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2=CCCCC2)cc1 ZINC000012055157 558315347 /nfs/dbraw/zinc/31/53/47/558315347.db2.gz SEFPQPPWIULKSA-DEOSSOPVSA-N 0 0 402.563 5.864 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2=CCCCC2)cc1 ZINC000012055160 558315409 /nfs/dbraw/zinc/31/54/09/558315409.db2.gz SEFPQPPWIULKSA-XMMPIXPASA-N 0 0 402.563 5.864 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012057092 558316365 /nfs/dbraw/zinc/31/63/65/558316365.db2.gz QQUPVOIGONKXTM-CQSZACIVSA-N 0 0 407.297 5.129 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012057094 558316432 /nfs/dbraw/zinc/31/64/32/558316432.db2.gz QQUPVOIGONKXTM-AWEZNQCLSA-N 0 0 407.297 5.129 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000012058055 558316591 /nfs/dbraw/zinc/31/65/91/558316591.db2.gz JJCUOBSXQROCST-DEOSSOPVSA-N 0 0 419.525 5.179 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012058056 558316677 /nfs/dbraw/zinc/31/66/77/558316677.db2.gz JJCUOBSXQROCST-XMMPIXPASA-N 0 0 419.525 5.179 50 0 HKAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012058220 558316595 /nfs/dbraw/zinc/31/65/95/558316595.db2.gz OBNZSNFHYSLCFB-HXUWFJFHSA-N 0 0 404.510 5.199 50 0 HKAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012058221 558316585 /nfs/dbraw/zinc/31/65/85/558316585.db2.gz OBNZSNFHYSLCFB-FQEVSTJZSA-N 0 0 404.510 5.199 50 0 HKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 ZINC000012062033 560888248 /nfs/dbraw/zinc/88/82/48/560888248.db2.gz ZBLBAJBEJVWTBK-QFIPXVFZSA-N 0 0 409.533 5.498 50 0 HKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 ZINC000012062034 560888312 /nfs/dbraw/zinc/88/83/12/560888312.db2.gz ZBLBAJBEJVWTBK-JOCHJYFZSA-N 0 0 409.533 5.498 50 0 HKAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000012062045 560888319 /nfs/dbraw/zinc/88/83/19/560888319.db2.gz KIZKFHYCNFNTNI-QHCPKHFHSA-N 0 0 423.560 5.806 50 0 HKAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000012062046 560888301 /nfs/dbraw/zinc/88/83/01/560888301.db2.gz KIZKFHYCNFNTNI-HSZRJFAPSA-N 0 0 423.560 5.806 50 0 HKAARN COc1ccccc1OCCSc1nc2ccccc2n1CCOc1ccccc1 ZINC000012062304 560888315 /nfs/dbraw/zinc/88/83/15/560888315.db2.gz SRVRKIWFZIJPDI-UHFFFAOYSA-N 0 0 420.534 5.295 50 0 HKAARN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000012062549 558317529 /nfs/dbraw/zinc/31/75/29/558317529.db2.gz CZKACEICKFSTQA-QFIPXVFZSA-N 0 0 401.934 5.050 50 0 HKAARN CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000012062550 558317468 /nfs/dbraw/zinc/31/74/68/558317468.db2.gz CZKACEICKFSTQA-JOCHJYFZSA-N 0 0 401.934 5.050 50 0 HKAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000012062557 558317552 /nfs/dbraw/zinc/31/75/52/558317552.db2.gz MVSHLVXVZUIMGR-UHFFFAOYSA-N 0 0 411.816 5.021 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000012062588 558317476 /nfs/dbraw/zinc/31/74/76/558317476.db2.gz UYSSNMXFQXUEHV-UHFFFAOYSA-N 0 0 416.454 6.104 50 0 HKAARN CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccco1 ZINC000012062613 560887986 /nfs/dbraw/zinc/88/79/86/560887986.db2.gz JQMWFZDLMJTZRK-UHFFFAOYSA-N 0 0 424.821 5.015 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)c1 ZINC000012062679 560888055 /nfs/dbraw/zinc/88/80/55/560888055.db2.gz XCYQQSKAHKJUGU-UHFFFAOYSA-N 0 0 411.461 5.121 50 0 HKAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000012062698 560888049 /nfs/dbraw/zinc/88/80/49/560888049.db2.gz XQWKSJOBRZXEJV-DEOSSOPVSA-N 0 0 424.500 5.678 50 0 HKAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000012062699 560888112 /nfs/dbraw/zinc/88/81/12/560888112.db2.gz XQWKSJOBRZXEJV-XMMPIXPASA-N 0 0 424.500 5.678 50 0 HKAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1Cl ZINC000012062708 560888133 /nfs/dbraw/zinc/88/81/33/560888133.db2.gz CWRQTYBMLREDQD-OUKQBFOZSA-N 0 0 418.817 5.222 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1OC ZINC000012062786 560888111 /nfs/dbraw/zinc/88/81/11/560888111.db2.gz KMHAFBXFHOQGAR-IZHYLOQSSA-N 0 0 402.519 5.515 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)Cc1coc3ccc(C(C)C)cc13)CCCC2 ZINC000012062882 558317441 /nfs/dbraw/zinc/31/74/41/558317441.db2.gz FNAAHJXIEMZSFS-UHFFFAOYSA-N 0 0 411.523 5.464 50 0 HKAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000012062885 560888132 /nfs/dbraw/zinc/88/81/32/560888132.db2.gz QGWPGYVYOOAYOT-QHCPKHFHSA-N 0 0 419.521 5.482 50 0 HKAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000012062886 560888129 /nfs/dbraw/zinc/88/81/29/560888129.db2.gz QGWPGYVYOOAYOT-HSZRJFAPSA-N 0 0 419.521 5.482 50 0 HKAARN CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 ZINC000012062905 560888106 /nfs/dbraw/zinc/88/81/06/560888106.db2.gz XZUZSYZHCIILPK-QFIPXVFZSA-N 0 0 405.494 5.236 50 0 HKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 ZINC000012062906 560888135 /nfs/dbraw/zinc/88/81/35/560888135.db2.gz XZUZSYZHCIILPK-JOCHJYFZSA-N 0 0 405.494 5.236 50 0 HKAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 ZINC000012062907 560888131 /nfs/dbraw/zinc/88/81/31/560888131.db2.gz AKORIYZAKHZVKA-QFIPXVFZSA-N 0 0 405.494 5.236 50 0 HKAARN CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 ZINC000012062908 560888126 /nfs/dbraw/zinc/88/81/26/560888126.db2.gz AKORIYZAKHZVKA-JOCHJYFZSA-N 0 0 405.494 5.236 50 0 HKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000012062933 560888120 /nfs/dbraw/zinc/88/81/20/560888120.db2.gz HCBNOYWDHHNSGA-WCQYABFASA-N 0 0 414.383 5.360 50 0 HKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000012062934 560888130 /nfs/dbraw/zinc/88/81/30/560888130.db2.gz HCBNOYWDHHNSGA-DGCLKSJQSA-N 0 0 414.383 5.360 50 0 HKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000012062935 560888119 /nfs/dbraw/zinc/88/81/19/560888119.db2.gz HCBNOYWDHHNSGA-AAEUAGOBSA-N 0 0 414.383 5.360 50 0 HKAARN CC1(C)[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H]1C=C(Cl)Cl ZINC000012062936 560888178 /nfs/dbraw/zinc/88/81/78/560888178.db2.gz HCBNOYWDHHNSGA-YPMHNXCESA-N 0 0 414.383 5.360 50 0 HKAARN CC(C)Sc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000012070867 560888297 /nfs/dbraw/zinc/88/82/97/560888297.db2.gz DEUBQVMIWHBPGZ-UHFFFAOYSA-N 0 0 401.535 5.912 50 0 HKAARN CC(C)Sc1ccc(CC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 ZINC000012071034 560888414 /nfs/dbraw/zinc/88/84/14/560888414.db2.gz QTHJHLAQOBDGOM-UHFFFAOYSA-N 0 0 424.616 6.707 50 0 HKAARN CN(CC[C@@H]1CCCCO1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012072661 558317963 /nfs/dbraw/zinc/31/79/63/558317963.db2.gz IQZYUDROTBAZGH-IBGZPJMESA-N 0 0 412.917 5.103 50 0 HKAARN CN(CC[C@H]1CCCCO1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012072664 558317926 /nfs/dbraw/zinc/31/79/26/558317926.db2.gz IQZYUDROTBAZGH-LJQANCHMSA-N 0 0 412.917 5.103 50 0 HKAARN CCC(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012073155 558318267 /nfs/dbraw/zinc/31/82/67/558318267.db2.gz ZJAGBUFBTFYQJY-OAQYLSRUSA-N 0 0 417.553 5.448 50 0 HKAARN CCC(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012073157 558318280 /nfs/dbraw/zinc/31/82/80/558318280.db2.gz ZJAGBUFBTFYQJY-NRFANRHFSA-N 0 0 417.553 5.448 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)cc2)c1 ZINC000012074201 558318935 /nfs/dbraw/zinc/31/89/35/558318935.db2.gz AXBMWPSEHQZWPH-QHCPKHFHSA-N 0 0 402.538 5.029 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@H]4CC45CCC5)CC3)cc2)c1 ZINC000012074204 558318891 /nfs/dbraw/zinc/31/88/91/558318891.db2.gz AXBMWPSEHQZWPH-HSZRJFAPSA-N 0 0 402.538 5.029 50 0 HKAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012074907 558319181 /nfs/dbraw/zinc/31/91/81/558319181.db2.gz LFLXIFDCGKCJMS-NRFANRHFSA-N 0 0 411.542 5.051 50 0 HKAARN CC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000012075443 558319630 /nfs/dbraw/zinc/31/96/30/558319630.db2.gz GZIOUCQLVCFYKF-QGZVFWFLSA-N 0 0 403.526 5.058 50 0 HKAARN CC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000012075446 558319667 /nfs/dbraw/zinc/31/96/67/558319667.db2.gz GZIOUCQLVCFYKF-KRWDZBQOSA-N 0 0 403.526 5.058 50 0 HKAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)Cc1ccc(-n2cccn2)cc1 ZINC000012076490 558320185 /nfs/dbraw/zinc/32/01/85/558320185.db2.gz VUTCVIXFRFURMY-UHFFFAOYSA-N 0 0 408.505 5.621 50 0 HKAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2Cl)C1 ZINC000012076498 558320203 /nfs/dbraw/zinc/32/02/03/558320203.db2.gz MQWKTQYQVXMYQP-HSZRJFAPSA-N 0 0 414.933 5.068 50 0 HKAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2Cl)C1 ZINC000012076500 558320195 /nfs/dbraw/zinc/32/01/95/558320195.db2.gz MQWKTQYQVXMYQP-QHCPKHFHSA-N 0 0 414.933 5.068 50 0 HKAARN Cc1nc(NCc2ccccc2-c2ccco2)sc1-c1ccn([C@@H]2CCOC2)n1 ZINC000012079382 558320576 /nfs/dbraw/zinc/32/05/76/558320576.db2.gz YLOMFVHHDBJMIL-QGZVFWFLSA-N 0 0 406.511 5.149 50 0 HKAARN Cc1nc(NCc2ccccc2-c2ccco2)sc1-c1ccn([C@H]2CCOC2)n1 ZINC000012079385 558320585 /nfs/dbraw/zinc/32/05/85/558320585.db2.gz YLOMFVHHDBJMIL-KRWDZBQOSA-N 0 0 406.511 5.149 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000012080441 558320753 /nfs/dbraw/zinc/32/07/53/558320753.db2.gz TWHVATIBINPVNU-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000012080442 558320852 /nfs/dbraw/zinc/32/08/52/558320852.db2.gz TWHVATIBINPVNU-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN Clc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)c1 ZINC000012082716 569399519 /nfs/dbraw/zinc/39/95/19/569399519.db2.gz YLTBBVVJWAUYMI-LYBHJNIJSA-N 0 0 410.698 6.748 50 0 HKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Br)cc3)c2c1 ZINC000012082734 569399533 /nfs/dbraw/zinc/39/95/33/569399533.db2.gz HKDINPLWGHMFGF-LYBHJNIJSA-N 0 0 410.698 6.748 50 0 HKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Cl)c(Cl)c3)c2c1 ZINC000012082736 569399532 /nfs/dbraw/zinc/39/95/32/569399532.db2.gz UXIWHPDESGLEHN-NCELDCMTSA-N 0 0 400.692 7.292 50 0 HKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3cc(Cl)cc(Cl)c3)c2c1 ZINC000012082738 569399497 /nfs/dbraw/zinc/39/94/97/569399497.db2.gz STOIRUOYYZQABZ-NCELDCMTSA-N 0 0 400.692 7.292 50 0 HKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc4c(c3)OCCO4)c2c1 ZINC000012082750 569399558 /nfs/dbraw/zinc/39/95/58/569399558.db2.gz NSMDEXNGTNQSFX-HPNDGRJYSA-N 0 0 413.473 5.674 50 0 HKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)n1 ZINC000012089901 560888916 /nfs/dbraw/zinc/88/89/16/560888916.db2.gz XFGGTKZEJHSHTM-UHFFFAOYSA-N 0 0 409.489 5.656 50 0 HKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1 ZINC000012089924 560888937 /nfs/dbraw/zinc/88/89/37/560888937.db2.gz VUZYPNQCNQHGRG-UHFFFAOYSA-N 0 0 423.516 6.046 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@@H]1c1nccs1 ZINC000012090668 558323899 /nfs/dbraw/zinc/32/38/99/558323899.db2.gz VLNDUOWLHIJJTC-JOCHJYFZSA-N 0 0 401.535 6.111 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H]1c1nccs1 ZINC000012090671 558323977 /nfs/dbraw/zinc/32/39/77/558323977.db2.gz VLNDUOWLHIJJTC-QFIPXVFZSA-N 0 0 401.535 6.111 50 0 HKAARN O=C(c1ccccc1-c1ccccc1F)N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012090836 558324195 /nfs/dbraw/zinc/32/41/95/558324195.db2.gz SGJUMYFUOACPHD-AREMUKBSSA-N 0 0 421.487 5.089 50 0 HKAARN O=C(c1ccccc1-c1ccccc1F)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012090839 558324113 /nfs/dbraw/zinc/32/41/13/558324113.db2.gz SGJUMYFUOACPHD-SANMLTNESA-N 0 0 421.487 5.089 50 0 HKAARN CC(=O)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)s1 ZINC000012092321 558324495 /nfs/dbraw/zinc/32/44/95/558324495.db2.gz UXRAKDMQVCEGLA-QHCPKHFHSA-N 0 0 418.493 5.359 50 0 HKAARN CC(=O)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)s1 ZINC000012092324 558324533 /nfs/dbraw/zinc/32/45/33/558324533.db2.gz UXRAKDMQVCEGLA-HSZRJFAPSA-N 0 0 418.493 5.359 50 0 HKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)[C@H](C)c1nccs1 ZINC000012092930 558324780 /nfs/dbraw/zinc/32/47/80/558324780.db2.gz ZQMQPCRMEGJFER-MRXNPFEDSA-N 0 0 405.523 6.092 50 0 HKAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)[C@@H](C)c1nccs1 ZINC000012092932 558324775 /nfs/dbraw/zinc/32/47/75/558324775.db2.gz ZQMQPCRMEGJFER-INIZCTEOSA-N 0 0 405.523 6.092 50 0 HKAARN COc1ccccc1OC1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000012093432 558324697 /nfs/dbraw/zinc/32/46/97/558324697.db2.gz JBCOFFDYHIPDQI-UHFFFAOYSA-N 0 0 412.917 5.355 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CO)o2)c(C)c1C ZINC000012093489 558324838 /nfs/dbraw/zinc/32/48/38/558324838.db2.gz NQIIPQNKDZBKHW-SANMLTNESA-N 0 0 416.521 5.026 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CO)o2)c(C)c1C ZINC000012093491 558324766 /nfs/dbraw/zinc/32/47/66/558324766.db2.gz NQIIPQNKDZBKHW-AREMUKBSSA-N 0 0 416.521 5.026 50 0 HKAARN Cc1cccc(-c2ccccc2C(=O)N2CCC[C@@](CO)(Cc3ccccc3F)C2)c1 ZINC000012094610 558325063 /nfs/dbraw/zinc/32/50/63/558325063.db2.gz MVVINJZBDWQABJ-HHHXNRCGSA-N 0 0 417.524 5.259 50 0 HKAARN Cc1cccc(-c2ccccc2C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)c1 ZINC000012094613 558325026 /nfs/dbraw/zinc/32/50/26/558325026.db2.gz MVVINJZBDWQABJ-MHZLTWQESA-N 0 0 417.524 5.259 50 0 HKAARN COCCCN(Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1)C(=O)C(C)C ZINC000012097503 558325223 /nfs/dbraw/zinc/32/52/23/558325223.db2.gz BIZKHGADUCSZDS-UHFFFAOYSA-N 0 0 424.972 5.885 50 0 HKAARN Cc1ccsc1CNc1nc(C)c(-c2ccn(-c3ccc4c(c3)OCO4)n2)s1 ZINC000012098386 558325337 /nfs/dbraw/zinc/32/53/37/558325337.db2.gz NHLSYWWCNUGKQL-UHFFFAOYSA-N 0 0 410.524 5.015 50 0 HKAARN Cc1nc(NCc2cc3ccccc3s2)sc1-c1ccn(Cc2ccncc2)n1 ZINC000012100266 558326179 /nfs/dbraw/zinc/32/61/79/558326179.db2.gz FKUHWOUGSFOCSJ-UHFFFAOYSA-N 0 0 417.563 5.585 50 0 HKAARN Cc1cc(C(=O)CSc2nnc(C3CCCC3)[nH]2)c(C)n1CCc1cccs1 ZINC000012104124 560889291 /nfs/dbraw/zinc/88/92/91/560889291.db2.gz PLLOPIBJUSUKFF-UHFFFAOYSA-N 0 0 414.600 5.160 50 0 HKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 ZINC000012111303 560889208 /nfs/dbraw/zinc/88/92/08/560889208.db2.gz ARGVKWMCVJSXEL-UHFFFAOYSA-N 0 0 411.845 5.404 50 0 HKAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)cc1 ZINC000012111362 560889249 /nfs/dbraw/zinc/88/92/49/560889249.db2.gz KFSCDRXSQCWLFV-UHFFFAOYSA-N 0 0 413.886 5.482 50 0 HKAARN Cc1cc(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1 ZINC000012111874 558326390 /nfs/dbraw/zinc/32/63/90/558326390.db2.gz ZKGUCUZNWKMZHA-UHFFFAOYSA-N 0 0 408.452 5.054 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012111982 558326365 /nfs/dbraw/zinc/32/63/65/558326365.db2.gz KGMGSSNQFXBWBZ-CQSZACIVSA-N 0 0 410.823 5.486 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012111983 558326401 /nfs/dbraw/zinc/32/64/01/558326401.db2.gz KGMGSSNQFXBWBZ-AWEZNQCLSA-N 0 0 410.823 5.486 50 0 HKAARN Cc1cc(C(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccc(C)c2)C2CC2)n(C)n1 ZINC000012126075 558331378 /nfs/dbraw/zinc/33/13/78/558331378.db2.gz SYSAEZCHTSLQEM-UHFFFAOYSA-N 0 0 424.548 5.365 50 0 HKAARN Clc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(Cl)c1 ZINC000012132501 560889999 /nfs/dbraw/zinc/88/99/99/560889999.db2.gz HSPDDLNEGNMVFG-UHFFFAOYSA-N 0 0 419.381 5.462 50 0 HKAARN FC(F)(F)c1ccccc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000012132559 560890052 /nfs/dbraw/zinc/89/00/52/560890052.db2.gz PFEAQDVSUADOIM-UHFFFAOYSA-N 0 0 418.488 5.174 50 0 HKAARN Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000012133777 568988205 /nfs/dbraw/zinc/98/82/05/568988205.db2.gz NMANUOYSXFQNMU-KRWDZBQOSA-N 0 0 419.312 5.139 50 0 HKAARN Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000012133781 568988105 /nfs/dbraw/zinc/98/81/05/568988105.db2.gz NMANUOYSXFQNMU-QGZVFWFLSA-N 0 0 419.312 5.139 50 0 HKAARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137057 558333979 /nfs/dbraw/zinc/33/39/79/558333979.db2.gz NHQMGJFJXKTGLH-UHFFFAOYSA-N 0 0 408.542 5.232 50 0 HKAARN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137121 558334203 /nfs/dbraw/zinc/33/42/03/558334203.db2.gz WEJOUJTVPVNFTL-JOCHJYFZSA-N 0 0 408.542 5.196 50 0 HKAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137122 558334216 /nfs/dbraw/zinc/33/42/16/558334216.db2.gz WEJOUJTVPVNFTL-QFIPXVFZSA-N 0 0 408.542 5.196 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 ZINC000012137125 558334229 /nfs/dbraw/zinc/33/42/29/558334229.db2.gz RGUWUCMEGYULQP-UHFFFAOYSA-N 0 0 408.542 5.232 50 0 HKAARN O=C(CCCC(=O)OCCCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012137267 558334188 /nfs/dbraw/zinc/33/41/88/558334188.db2.gz ODOTYLKOTYHXDN-UHFFFAOYSA-N 0 0 417.505 5.764 50 0 HKAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000012137437 558334225 /nfs/dbraw/zinc/33/42/25/558334225.db2.gz XVAPZVRKTRTBDN-JOCHJYFZSA-N 0 0 416.546 6.376 50 0 HKAARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000012137438 558334227 /nfs/dbraw/zinc/33/42/27/558334227.db2.gz XVAPZVRKTRTBDN-QFIPXVFZSA-N 0 0 416.546 6.376 50 0 HKAARN CN(C(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12)C1CCCCC1 ZINC000012137571 558334236 /nfs/dbraw/zinc/33/42/36/558334236.db2.gz JFEUWQJONZLVEM-VHEBQXMUSA-N 0 0 412.533 5.896 50 0 HKAARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137634 558334357 /nfs/dbraw/zinc/33/43/57/558334357.db2.gz LERCKRNFHKZKSX-HSZRJFAPSA-N 0 0 408.542 5.196 50 0 HKAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000012137635 558334326 /nfs/dbraw/zinc/33/43/26/558334326.db2.gz LERCKRNFHKZKSX-QHCPKHFHSA-N 0 0 408.542 5.196 50 0 HKAARN CCOc1ccc(Cl)cc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 ZINC000012137917 558334330 /nfs/dbraw/zinc/33/43/30/558334330.db2.gz DTRFOGPQDARZJF-UHFFFAOYSA-N 0 0 411.885 5.449 50 0 HKAARN CCOc1ccc(Cl)cc1NC(=O)c1cccc(OCCOc2ccccc2)c1 ZINC000012137923 558334388 /nfs/dbraw/zinc/33/43/88/558334388.db2.gz SFUIJJHZWLESNX-UHFFFAOYSA-N 0 0 411.885 5.449 50 0 HKAARN O=C(Nc1ccc(OCCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000012137981 558334399 /nfs/dbraw/zinc/33/43/99/558334399.db2.gz QJHVPUMGWWOJMC-UHFFFAOYSA-N 0 0 407.513 6.079 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1Cl ZINC000012138986 558334573 /nfs/dbraw/zinc/33/45/73/558334573.db2.gz WJSWYJHTAQDDQK-UHFFFAOYSA-N 0 0 419.937 5.989 50 0 HKAARN COc1ccc(-c2cc(C)nc(SCc3cc4c(cc3Cl)OCO4)n2)cc1 ZINC000012139011 560889885 /nfs/dbraw/zinc/88/98/85/560889885.db2.gz DYSYSXMACFEZAA-UHFFFAOYSA-N 0 0 400.887 5.135 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000012139012 560889897 /nfs/dbraw/zinc/88/98/97/560889897.db2.gz SZWSKBIPMWKXBA-UHFFFAOYSA-N 0 0 411.935 6.699 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)s1 ZINC000012139013 560889869 /nfs/dbraw/zinc/88/98/69/560889869.db2.gz GGPKQHBKCRAQPH-UHFFFAOYSA-N 0 0 410.951 6.434 50 0 HKAARN Cc1cc(SCc2nc3ccccc3[nH]2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000012139020 560889902 /nfs/dbraw/zinc/88/99/02/560889902.db2.gz NXAKNQYVPQGDFV-UHFFFAOYSA-N 0 0 418.551 5.122 50 0 HKAARN COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000012139021 560889883 /nfs/dbraw/zinc/88/98/83/560889883.db2.gz LNJDUKVVHUPGCW-UHFFFAOYSA-N 0 0 404.413 5.241 50 0 HKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000012139044 558334580 /nfs/dbraw/zinc/33/45/80/558334580.db2.gz IAIFWWKNSLZPHT-UHFFFAOYSA-N 0 0 420.890 5.914 50 0 HKAARN Oc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c2cccnc12 ZINC000012139500 558334549 /nfs/dbraw/zinc/33/45/49/558334549.db2.gz YAASSFMFYURNFV-UHFFFAOYSA-N 0 0 419.453 5.770 50 0 HKAARN O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(C(F)(F)F)cc1 ZINC000012140444 560890240 /nfs/dbraw/zinc/89/02/40/560890240.db2.gz UYPYKXMXPVDOCJ-UHFFFAOYSA-N 0 0 423.847 5.547 50 0 HKAARN CCc1ccc(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000012140474 560890235 /nfs/dbraw/zinc/89/02/35/560890235.db2.gz IAZYESXIMTYYBT-UHFFFAOYSA-N 0 0 418.349 5.744 50 0 HKAARN O=c1c2c(nc(SCc3ccccc3)n1-c1cccc(C(F)(F)F)c1)CCS2 ZINC000012140588 560890251 /nfs/dbraw/zinc/89/02/51/560890251.db2.gz KXDKZVDPPZOYBF-UHFFFAOYSA-N 0 0 420.481 5.192 50 0 HKAARN C[C@@H](NC(=O)C1CC1)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012150542 558338852 /nfs/dbraw/zinc/33/88/52/558338852.db2.gz LYGUUHNSZUIZOJ-CQSZACIVSA-N 0 0 418.994 5.180 50 0 HKAARN C[C@H](NC(=O)C1CC1)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012150543 558339083 /nfs/dbraw/zinc/33/90/83/558339083.db2.gz LYGUUHNSZUIZOJ-AWEZNQCLSA-N 0 0 418.994 5.180 50 0 HKAARN CC(C)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012152936 558339573 /nfs/dbraw/zinc/33/95/73/558339573.db2.gz MRPNYSNTYFRKAS-UHFFFAOYSA-N 0 0 406.501 5.027 50 0 HKAARN CCOc1ccc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)cc1 ZINC000012157165 558340800 /nfs/dbraw/zinc/34/08/00/558340800.db2.gz AUYTVANSKPLYDP-UHFFFAOYSA-N 0 0 410.568 5.436 50 0 HKAARN Cc1cccc(C(=O)N2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)c1C ZINC000012158298 558340983 /nfs/dbraw/zinc/34/09/83/558340983.db2.gz CWPQXSZBITWVKK-VWLOTQADSA-N 0 0 415.533 5.004 50 0 HKAARN Cc1cccc(C(=O)N2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)c1C ZINC000012158304 558340914 /nfs/dbraw/zinc/34/09/14/558340914.db2.gz CWPQXSZBITWVKK-RUZDIDTESA-N 0 0 415.533 5.004 50 0 HKAARN CCC(=O)N(CCCOC)Cc1cc2ccc(SC)cc2nc1-c1cccc(C)c1 ZINC000012161130 558341724 /nfs/dbraw/zinc/34/17/24/558341724.db2.gz LVOOQGUSUZEUHX-UHFFFAOYSA-N 0 0 422.594 5.707 50 0 HKAARN O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)N1CCCc2ccccc21 ZINC000012173286 132355687 /nfs/dbraw/zinc/35/56/87/132355687.db2.gz NGGNKQCURKSBJU-UHFFFAOYSA-N 0 0 421.591 5.155 50 0 HKAARN CCCc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)sc1C ZINC000012175878 560890964 /nfs/dbraw/zinc/89/09/64/560890964.db2.gz WUKBKCHGEPTLPU-UHFFFAOYSA-N 0 0 419.852 5.477 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000012176757 560890966 /nfs/dbraw/zinc/89/09/66/560890966.db2.gz ZVMXHKQIJXLMDN-UHFFFAOYSA-N 0 0 400.503 5.684 50 0 HKAARN Cc1ccc(-c2nnc(SCc3cc4c(cc3Cl)OCO4)c3ccccc32)cc1 ZINC000012176783 560890918 /nfs/dbraw/zinc/89/09/18/560890918.db2.gz LFYWHHWBQKVCDU-UHFFFAOYSA-N 0 0 420.921 6.280 50 0 HKAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)OCc3cc(-c4ccco4)on3)c12 ZINC000012178044 560890978 /nfs/dbraw/zinc/89/09/78/560890978.db2.gz FFRKJTSMTZNQOG-UHFFFAOYSA-N 0 0 415.405 5.112 50 0 HKAARN C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012192149 560891518 /nfs/dbraw/zinc/89/15/18/560891518.db2.gz BGYQTBTUPIAORX-DUXPYHPUSA-N 0 0 418.928 5.245 50 0 HKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192239 558347873 /nfs/dbraw/zinc/34/78/73/558347873.db2.gz SPPJASBVBZPPEC-VPUSJEBWSA-N 0 0 412.533 6.416 50 0 HKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192246 558347979 /nfs/dbraw/zinc/34/79/79/558347979.db2.gz SPPJASBVBZPPEC-XNMGPUDCSA-N 0 0 412.533 6.416 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012192284 558347981 /nfs/dbraw/zinc/34/79/81/558347981.db2.gz SDYOYTXCRLXSQR-AOYPEHQESA-N 0 0 412.533 6.235 50 0 HKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192289 558347949 /nfs/dbraw/zinc/34/79/49/558347949.db2.gz MPVZWOMNSBNBAJ-RSXGOPAZSA-N 0 0 414.505 5.726 50 0 HKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012192293 558347983 /nfs/dbraw/zinc/34/79/83/558347983.db2.gz MPVZWOMNSBNBAJ-AOYPEHQESA-N 0 0 414.505 5.726 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2=CCCCC2)c(F)c1 ZINC000012192310 558347982 /nfs/dbraw/zinc/34/79/82/558347982.db2.gz UOFFUSSGNQHSLD-SANMLTNESA-N 0 0 418.512 5.680 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2=CCCCC2)c(F)c1 ZINC000012192314 558347916 /nfs/dbraw/zinc/34/79/16/558347916.db2.gz UOFFUSSGNQHSLD-AREMUKBSSA-N 0 0 418.512 5.680 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192341 558347893 /nfs/dbraw/zinc/34/78/93/558347893.db2.gz VGVSVSLLPGUTSD-NAKRPHOHSA-N 0 0 420.512 6.481 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192344 558348084 /nfs/dbraw/zinc/34/80/84/558348084.db2.gz VGVSVSLLPGUTSD-LEAFIULHSA-N 0 0 420.512 6.481 50 0 HKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192415 558348078 /nfs/dbraw/zinc/34/80/78/558348078.db2.gz OHYJGVXBBAKWQN-NOZRDPDXSA-N 0 0 418.924 6.371 50 0 HKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192422 558348059 /nfs/dbraw/zinc/34/80/59/558348059.db2.gz OHYJGVXBBAKWQN-ILBGXUMGSA-N 0 0 418.924 6.371 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1OC ZINC000012192427 558348043 /nfs/dbraw/zinc/34/80/43/558348043.db2.gz RDTQREDQOSTTBU-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1OC ZINC000012192434 558348089 /nfs/dbraw/zinc/34/80/89/558348089.db2.gz RDTQREDQOSTTBU-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192438 558348047 /nfs/dbraw/zinc/34/80/47/558348047.db2.gz XHSREDLMCWSPAJ-AHWVRZQESA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000012192443 558348063 /nfs/dbraw/zinc/34/80/63/558348063.db2.gz XHSREDLMCWSPAJ-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192546 558348055 /nfs/dbraw/zinc/34/80/55/558348055.db2.gz SMEZCCDUTACTOW-UPVQGACJSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192553 558348074 /nfs/dbraw/zinc/34/80/74/558348074.db2.gz SMEZCCDUTACTOW-VWNXMTODSA-N 0 0 404.897 5.899 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192561 558348092 /nfs/dbraw/zinc/34/80/92/558348092.db2.gz DVLRIAZXCQAXAA-NOZRDPDXSA-N 0 0 418.924 6.289 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192566 558348086 /nfs/dbraw/zinc/34/80/86/558348086.db2.gz DVLRIAZXCQAXAA-ILBGXUMGSA-N 0 0 418.924 6.289 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000012192578 568988314 /nfs/dbraw/zinc/98/83/14/568988314.db2.gz UHOWCOKHCPMTAJ-VWNXMTODSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012192585 568988359 /nfs/dbraw/zinc/98/83/59/568988359.db2.gz UHOWCOKHCPMTAJ-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 ZINC000012192663 558348112 /nfs/dbraw/zinc/34/81/12/558348112.db2.gz OCUYEVYYIQOLCN-IRLDBZIGSA-N 0 0 405.295 5.691 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 ZINC000012192666 558348069 /nfs/dbraw/zinc/34/80/69/558348069.db2.gz OCUYEVYYIQOLCN-IFMALSPDSA-N 0 0 405.295 5.691 50 0 HKAARN CC(C)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192818 558348423 /nfs/dbraw/zinc/34/84/23/558348423.db2.gz YNHUCASOFNSWMO-NOZRDPDXSA-N 0 0 418.924 6.370 50 0 HKAARN CC(C)Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192821 558348418 /nfs/dbraw/zinc/34/84/18/558348418.db2.gz YNHUCASOFNSWMO-ILBGXUMGSA-N 0 0 418.924 6.370 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193052 558348416 /nfs/dbraw/zinc/34/84/16/558348416.db2.gz XZXMARJWSOYIMJ-GMAHTHKFSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193056 558348410 /nfs/dbraw/zinc/34/84/10/558348410.db2.gz XZXMARJWSOYIMJ-GGAORHGYSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012193062 558348363 /nfs/dbraw/zinc/34/83/63/558348363.db2.gz XZXMARJWSOYIMJ-FYYLOGMGSA-N 0 0 419.322 6.000 50 0 HKAARN C[C@@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1ccccc1 ZINC000012193110 558348412 /nfs/dbraw/zinc/34/84/12/558348412.db2.gz GNYUJWWXSMDMOO-LJQANCHMSA-N 0 0 411.505 5.137 50 0 HKAARN C[C@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1ccccc1 ZINC000012193121 558348433 /nfs/dbraw/zinc/34/84/33/558348433.db2.gz GNYUJWWXSMDMOO-IBGZPJMESA-N 0 0 411.505 5.137 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 ZINC000012193172 558348372 /nfs/dbraw/zinc/34/83/72/558348372.db2.gz WSHXDXKCIIUSOX-KDOFPFPSSA-N 0 0 401.285 5.346 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1OC ZINC000012193185 558348401 /nfs/dbraw/zinc/34/84/01/558348401.db2.gz UNRCLHZJJQTBTC-PXDATVDWSA-N 0 0 400.478 5.255 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000012193260 558348399 /nfs/dbraw/zinc/34/83/99/558348399.db2.gz OTIJCAIXZVSNST-ZEQKJWHPSA-N 0 0 412.533 6.235 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000012193302 558348414 /nfs/dbraw/zinc/34/84/14/558348414.db2.gz NOMTWUMCHPXIDQ-NZQKXSOJSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000012193310 558348386 /nfs/dbraw/zinc/34/83/86/558348386.db2.gz PQEYDHIRRAVJCS-ZJSXRUAMSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000012193349 558348529 /nfs/dbraw/zinc/34/85/29/558348529.db2.gz PDONABPSOACVER-RCZVLFRGSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nc(C)cs2)c(F)c1 ZINC000012193362 558348601 /nfs/dbraw/zinc/34/86/01/558348601.db2.gz MVIRQXGWEHRUQG-UHFFFAOYSA-N 0 0 422.529 5.084 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012193482 558348648 /nfs/dbraw/zinc/34/86/48/558348648.db2.gz SDAMCNIMHRYSMR-VWNXMTODSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012193490 558348533 /nfs/dbraw/zinc/34/85/33/558348533.db2.gz SDAMCNIMHRYSMR-ISKFKSNPSA-N 0 0 404.897 5.981 50 0 HKAARN Fc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193808 558348682 /nfs/dbraw/zinc/34/86/82/558348682.db2.gz AMLAQUNXECBGFK-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193810 558348656 /nfs/dbraw/zinc/34/86/56/558348656.db2.gz AMLAQUNXECBGFK-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Cc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193822 569282958 /nfs/dbraw/zinc/28/29/58/569282958.db2.gz USKDDIANAWHNFV-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012193823 569282961 /nfs/dbraw/zinc/28/29/61/569282961.db2.gz USKDDIANAWHNFV-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN COc1cccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC000012194120 558348852 /nfs/dbraw/zinc/34/88/52/558348852.db2.gz FGUZPURYQACTJD-JOCHJYFZSA-N 0 0 414.505 5.489 50 0 HKAARN COc1cccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC000012194129 558348913 /nfs/dbraw/zinc/34/89/13/558348913.db2.gz FGUZPURYQACTJD-QFIPXVFZSA-N 0 0 414.505 5.489 50 0 HKAARN CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012194298 558348864 /nfs/dbraw/zinc/34/88/64/558348864.db2.gz RFFLSYKZNDQANK-VPUSJEBWSA-N 0 0 412.533 6.498 50 0 HKAARN CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012194304 558348830 /nfs/dbraw/zinc/34/88/30/558348830.db2.gz RFFLSYKZNDQANK-XNMGPUDCSA-N 0 0 412.533 6.498 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012194368 558348938 /nfs/dbraw/zinc/34/89/38/558348938.db2.gz FSUWUULUSKOAJS-PXNSSMCTSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012194374 558348862 /nfs/dbraw/zinc/34/88/62/558348862.db2.gz FSUWUULUSKOAJS-XLIONFOSSA-N 0 0 401.318 6.297 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194448 558348886 /nfs/dbraw/zinc/34/88/86/558348886.db2.gz SPWYNCKZDQQITE-WIYYLYMNSA-N 0 0 409.283 5.593 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000012194465 568988354 /nfs/dbraw/zinc/98/83/54/568988354.db2.gz GAEHUSRNWGAWOS-AHWVRZQESA-N 0 0 410.904 6.736 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000012194467 568988285 /nfs/dbraw/zinc/98/82/85/568988285.db2.gz GAEHUSRNWGAWOS-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)c(Cl)c1 ZINC000012194766 558349040 /nfs/dbraw/zinc/34/90/40/558349040.db2.gz VYDIEPHOVHAUKW-PXNSSMCTSA-N 0 0 419.695 6.482 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c(Cl)c1 ZINC000012194770 558349100 /nfs/dbraw/zinc/34/91/00/558349100.db2.gz VYDIEPHOVHAUKW-XLIONFOSSA-N 0 0 419.695 6.482 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194834 558349143 /nfs/dbraw/zinc/34/91/43/558349143.db2.gz YRTQDPXEEUNDKX-OFNKIYASSA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194839 558349020 /nfs/dbraw/zinc/34/90/20/558349020.db2.gz YRTQDPXEEUNDKX-NFBKMPQASA-N 0 0 408.885 5.882 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194844 558349032 /nfs/dbraw/zinc/34/90/32/558349032.db2.gz QFCPMCXYUSSNEN-UGKGYDQZSA-N 0 0 422.868 5.270 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194849 558349155 /nfs/dbraw/zinc/34/91/55/558349155.db2.gz QFCPMCXYUSSNEN-KNQAVFIVSA-N 0 0 422.868 5.270 50 0 HKAARN CSc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194854 558349138 /nfs/dbraw/zinc/34/91/38/558349138.db2.gz AUGWBHHCYWRYCK-UGKGYDQZSA-N 0 0 410.926 6.206 50 0 HKAARN CSc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194859 558349028 /nfs/dbraw/zinc/34/90/28/558349028.db2.gz AUGWBHHCYWRYCK-KNQAVFIVSA-N 0 0 410.926 6.206 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000012195007 558349036 /nfs/dbraw/zinc/34/90/36/558349036.db2.gz QHOGPGRCYZYVKW-FXAWDEMLSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(Cl)c1 ZINC000012195010 558349065 /nfs/dbraw/zinc/34/90/65/558349065.db2.gz QHOGPGRCYZYVKW-YLJYHZDGSA-N 0 0 401.318 6.297 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000012195114 558349126 /nfs/dbraw/zinc/34/91/26/558349126.db2.gz AYKVYBMKMHNTPW-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000012195120 558349115 /nfs/dbraw/zinc/34/91/15/558349115.db2.gz AYKVYBMKMHNTPW-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012195422 558349401 /nfs/dbraw/zinc/34/94/01/558349401.db2.gz HCDSGQYVRHRGLU-NOZRDPDXSA-N 0 0 402.925 6.706 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012195430 558349399 /nfs/dbraw/zinc/34/93/99/558349399.db2.gz HCDSGQYVRHRGLU-ILBGXUMGSA-N 0 0 402.925 6.706 50 0 HKAARN Brc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000012195449 558349345 /nfs/dbraw/zinc/34/93/45/558349345.db2.gz BGAHSEUJPBDBFE-UNMCSNQZSA-N 0 0 405.295 5.691 50 0 HKAARN Brc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000012195455 558349349 /nfs/dbraw/zinc/34/93/49/558349349.db2.gz BGAHSEUJPBDBFE-IRLDBZIGSA-N 0 0 405.295 5.691 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195599 558349308 /nfs/dbraw/zinc/34/93/08/558349308.db2.gz LHKPYFXPEGBTQL-VWNXMTODSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012195605 558349314 /nfs/dbraw/zinc/34/93/14/558349314.db2.gz LHKPYFXPEGBTQL-ISKFKSNPSA-N 0 0 420.896 5.600 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000012195684 558349393 /nfs/dbraw/zinc/34/93/93/558349393.db2.gz WWKRMMMPGFJZKU-WIOPSUGQSA-N 0 0 418.468 5.475 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000012196022 558349301 /nfs/dbraw/zinc/34/93/01/558349301.db2.gz IHYQKMQDWLIEQQ-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000012196026 558349333 /nfs/dbraw/zinc/34/93/33/558349333.db2.gz FIKXZGZYKWSBMH-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196037 558349436 /nfs/dbraw/zinc/34/94/36/558349436.db2.gz ZSIMTYCGSOROSH-RBBKRZOGSA-N 0 0 414.814 6.000 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196042 558349338 /nfs/dbraw/zinc/34/93/38/558349338.db2.gz ZSIMTYCGSOROSH-IFMALSPDSA-N 0 0 414.814 6.000 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196048 558349396 /nfs/dbraw/zinc/34/93/96/558349396.db2.gz KTJNUTABNDCFOS-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196053 558349404 /nfs/dbraw/zinc/34/94/04/558349404.db2.gz KTJNUTABNDCFOS-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196080 558349383 /nfs/dbraw/zinc/34/93/83/558349383.db2.gz JTEQEMVOLOOFEG-XUZZJYLKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000012196084 558349600 /nfs/dbraw/zinc/34/96/00/558349600.db2.gz JTEQEMVOLOOFEG-ZJSXRUAMSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196089 558349592 /nfs/dbraw/zinc/34/95/92/558349592.db2.gz HLJZQDKEDAJTRD-XUZZJYLKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000012196096 558349570 /nfs/dbraw/zinc/34/95/70/558349570.db2.gz HLJZQDKEDAJTRD-ZJSXRUAMSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000012196115 558349596 /nfs/dbraw/zinc/34/95/96/558349596.db2.gz KTOYHMFQSXAHEV-NZQKXSOJSA-N 0 0 407.420 5.001 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000012196146 558349612 /nfs/dbraw/zinc/34/96/12/558349612.db2.gz DWHXSYLAXCTONE-NZQKXSOJSA-N 0 0 403.507 5.054 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196227 558349579 /nfs/dbraw/zinc/34/95/79/558349579.db2.gz NGTNILZZVZVIOU-WMZHIEFXSA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196233 558349572 /nfs/dbraw/zinc/34/95/72/558349572.db2.gz FOEKZMRTFDMFFI-WMZHIEFXSA-N 0 0 410.420 5.507 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196240 558349545 /nfs/dbraw/zinc/34/95/45/558349545.db2.gz WCNKEJMSOOHATO-GBXCKJPGSA-N 0 0 404.466 5.238 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012196247 558349594 /nfs/dbraw/zinc/34/95/94/558349594.db2.gz BAZVQJYTTJQAQG-BWKNWUBXSA-N 0 0 418.493 5.628 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012196251 558349524 /nfs/dbraw/zinc/34/95/24/558349524.db2.gz BAZVQJYTTJQAQG-PXDATVDWSA-N 0 0 418.493 5.628 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000012196289 558349609 /nfs/dbraw/zinc/34/96/09/558349609.db2.gz PYHRESQXTDAVMZ-GBXCKJPGSA-N 0 0 420.534 5.951 50 0 HKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196292 558349563 /nfs/dbraw/zinc/34/95/63/558349563.db2.gz GIEKHCISIVMGER-XLIONFOSSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196297 558349578 /nfs/dbraw/zinc/34/95/78/558349578.db2.gz GIEKHCISIVMGER-YLJYHZDGSA-N 0 0 401.318 6.297 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F ZINC000012196302 558349605 /nfs/dbraw/zinc/34/96/05/558349605.db2.gz CBIKFGOZVOXVKJ-PXNSSMCTSA-N 0 0 402.853 5.922 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1F ZINC000012196306 558349575 /nfs/dbraw/zinc/34/95/75/558349575.db2.gz CBIKFGOZVOXVKJ-XLIONFOSSA-N 0 0 402.853 5.922 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196399 558349554 /nfs/dbraw/zinc/34/95/54/558349554.db2.gz CAIUBUCRIYIULJ-RXVVDRJESA-N 0 0 424.909 5.430 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196405 558349548 /nfs/dbraw/zinc/34/95/48/558349548.db2.gz CAIUBUCRIYIULJ-GHTZIAJQSA-N 0 0 424.909 5.430 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196410 558349541 /nfs/dbraw/zinc/34/95/41/558349541.db2.gz CAIUBUCRIYIULJ-NQIIRXRSSA-N 0 0 424.909 5.430 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196414 558349753 /nfs/dbraw/zinc/34/97/53/558349753.db2.gz CAIUBUCRIYIULJ-WIYYLYMNSA-N 0 0 424.909 5.430 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196417 558349726 /nfs/dbraw/zinc/34/97/26/558349726.db2.gz UPPKTVKHZPEGSO-PGRDOPGGSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196425 558349817 /nfs/dbraw/zinc/34/98/17/558349817.db2.gz RXCPGOPMUMFWIZ-PGRDOPGGSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196437 558349768 /nfs/dbraw/zinc/34/97/68/558349768.db2.gz KRQMAVGWRPJGKJ-PGRDOPGGSA-N 0 0 412.461 5.667 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196440 558349813 /nfs/dbraw/zinc/34/98/13/558349813.db2.gz BQCWCNGIGXXZKR-WMZHIEFXSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196443 569399869 /nfs/dbraw/zinc/39/98/69/569399869.db2.gz KAGQOPCFJSHNBV-YKSBVNFPSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196447 569399844 /nfs/dbraw/zinc/39/98/44/569399844.db2.gz KAGQOPCFJSHNBV-HYBUGGRVSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196475 558349741 /nfs/dbraw/zinc/34/97/41/558349741.db2.gz RCNGNGKRWOOMEA-WMZHIEFXSA-N 0 0 422.575 6.111 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000012196476 558349834 /nfs/dbraw/zinc/34/98/34/558349834.db2.gz RCNGNGKRWOOMEA-AUSIDOKSSA-N 0 0 422.575 6.111 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196558 558349748 /nfs/dbraw/zinc/34/97/48/558349748.db2.gz CQBOASORTGPFAK-XUZZJYLKSA-N 0 0 422.431 5.224 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012196561 558349775 /nfs/dbraw/zinc/34/97/75/558349775.db2.gz CQBOASORTGPFAK-ZJSXRUAMSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000012196693 558349736 /nfs/dbraw/zinc/34/97/36/558349736.db2.gz KFRXGTAEPNOWOS-XUZZJYLKSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000012196698 558349822 /nfs/dbraw/zinc/34/98/22/558349822.db2.gz KFRXGTAEPNOWOS-ZJSXRUAMSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196716 558349999 /nfs/dbraw/zinc/34/99/99/558349999.db2.gz ANUNKTQPZZSPEX-NZQKXSOJSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196719 558349971 /nfs/dbraw/zinc/34/99/71/558349971.db2.gz VFMASGKEFJSPMY-NZQKXSOJSA-N 0 0 410.395 5.355 50 0 HKAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196724 558349996 /nfs/dbraw/zinc/34/99/96/558349996.db2.gz AEGDELKUDBWWDG-QPPBQGQZSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196730 558350002 /nfs/dbraw/zinc/35/00/02/558350002.db2.gz AEGDELKUDBWWDG-ZJSXRUAMSA-N 0 0 404.441 5.085 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196733 558350043 /nfs/dbraw/zinc/35/00/43/558350043.db2.gz ZYEVJCTXJALKPZ-RDGATRHJSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196741 558350059 /nfs/dbraw/zinc/35/00/59/558350059.db2.gz ZYEVJCTXJALKPZ-RCZVLFRGSA-N 0 0 418.468 5.475 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)CCC(F)(F)F)CC3)cc2)c1 ZINC000012196744 558350019 /nfs/dbraw/zinc/35/00/19/558350019.db2.gz SMUVVZFVPYQVPK-UHFFFAOYSA-N 0 0 418.459 5.182 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000012196788 558349975 /nfs/dbraw/zinc/34/99/75/558349975.db2.gz KJVAJZAJVZWKBQ-XUZZJYLKSA-N 0 0 420.509 5.799 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196822 558350054 /nfs/dbraw/zinc/35/00/54/558350054.db2.gz PXNQWUDHCGTFAP-XXBNENTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196828 558350057 /nfs/dbraw/zinc/35/00/57/558350057.db2.gz PXNQWUDHCGTFAP-AUSIDOKSSA-N 0 0 406.507 5.398 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012196834 569399875 /nfs/dbraw/zinc/39/98/75/569399875.db2.gz JRXOJSUKFBQUBH-MBSDFSHPSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012196839 569399913 /nfs/dbraw/zinc/39/99/13/569399913.db2.gz JRXOJSUKFBQUBH-FDDCHVKYSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196842 569399857 /nfs/dbraw/zinc/39/98/57/569399857.db2.gz JRXOJSUKFBQUBH-JPYJTQIMSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196848 569399855 /nfs/dbraw/zinc/39/98/55/569399855.db2.gz JRXOJSUKFBQUBH-WZONZLPQSA-N 0 0 422.506 5.016 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196863 560884513 /nfs/dbraw/zinc/88/45/13/560884513.db2.gz FPNIYRJNWXBKMF-PGRDOPGGSA-N 0 0 408.548 5.721 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1OC ZINC000012196930 558350026 /nfs/dbraw/zinc/35/00/26/558350026.db2.gz NBTOHDIKUBOILQ-VGSWGCGISA-N 0 0 410.857 5.193 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1OC ZINC000012196936 558350022 /nfs/dbraw/zinc/35/00/22/558350022.db2.gz NBTOHDIKUBOILQ-VGOFRKELSA-N 0 0 410.857 5.193 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012197052 558350024 /nfs/dbraw/zinc/35/00/24/558350024.db2.gz VVFXCDVAXIXGDV-LADGPHEKSA-N 0 0 422.431 5.224 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000012197057 558350066 /nfs/dbraw/zinc/35/00/66/558350066.db2.gz VVFXCDVAXIXGDV-ISKFKSNPSA-N 0 0 422.431 5.224 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2csc(C)n2)cc1 ZINC000012197912 558350280 /nfs/dbraw/zinc/35/02/80/558350280.db2.gz KXNKJIMDVFARIM-UHFFFAOYSA-N 0 0 422.529 5.084 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(Cc1cnn(C)c1)C(C)C ZINC000012198805 558350546 /nfs/dbraw/zinc/35/05/46/558350546.db2.gz VOZYTTRGARXEDK-UHFFFAOYSA-N 0 0 400.526 5.461 50 0 HKAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3C)C2)cc1 ZINC000012199862 558351052 /nfs/dbraw/zinc/35/10/52/558351052.db2.gz BJXDHKUBTGMPGF-MRXNPFEDSA-N 0 0 402.947 5.497 50 0 HKAARN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3C)C2)cc1 ZINC000012199876 558351049 /nfs/dbraw/zinc/35/10/49/558351049.db2.gz BJXDHKUBTGMPGF-INIZCTEOSA-N 0 0 402.947 5.497 50 0 HKAARN Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2ccccc2-c2ccccc2C)C1 ZINC000012200847 558351295 /nfs/dbraw/zinc/35/12/95/558351295.db2.gz KMMXAMPKWKSDEQ-NDEPHWFRSA-N 0 0 413.561 5.428 50 0 HKAARN Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccccc2-c2ccccc2C)C1 ZINC000012200852 558351331 /nfs/dbraw/zinc/35/13/31/558351331.db2.gz KMMXAMPKWKSDEQ-MUUNZHRXSA-N 0 0 413.561 5.428 50 0 HKAARN CSc1ccc(NC(=O)[C@@H]2CC23CCN(Cc2c(F)cccc2Cl)CC3)cc1 ZINC000012202197 558351820 /nfs/dbraw/zinc/35/18/20/558351820.db2.gz ZMVIKJNHHDBOSP-SFHVURJKSA-N 0 0 418.965 5.442 50 0 HKAARN CSc1ccc(NC(=O)[C@H]2CC23CCN(Cc2c(F)cccc2Cl)CC3)cc1 ZINC000012202203 558351671 /nfs/dbraw/zinc/35/16/71/558351671.db2.gz ZMVIKJNHHDBOSP-GOSISDBHSA-N 0 0 418.965 5.442 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(CCO)Cc1cccs1 ZINC000012202895 558351785 /nfs/dbraw/zinc/35/17/85/558351785.db2.gz ZKPGLHADASHESG-UHFFFAOYSA-N 0 0 404.535 5.373 50 0 HKAARN COc1ccc(OC2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 ZINC000012203168 558351954 /nfs/dbraw/zinc/35/19/54/558351954.db2.gz WFBULNGDWDMSHQ-UHFFFAOYSA-N 0 0 412.917 5.355 50 0 HKAARN Cc1nc([C@@H](C)N(C)Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c(C)s1 ZINC000012206677 558353030 /nfs/dbraw/zinc/35/30/30/558353030.db2.gz WUSGEQXPSOCWOJ-SNVBAGLBSA-N 0 0 419.934 5.298 50 0 HKAARN Cc1nc([C@H](C)N(C)Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c(C)s1 ZINC000012206687 558352990 /nfs/dbraw/zinc/35/29/90/558352990.db2.gz WUSGEQXPSOCWOJ-JTQLQIEISA-N 0 0 419.934 5.298 50 0 HKAARN COc1ccc(-c2csc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000012210678 558354054 /nfs/dbraw/zinc/35/40/54/558354054.db2.gz YELRSTREABFSSF-UHFFFAOYSA-N 0 0 424.469 5.568 50 0 HKAARN O=C(C1CCC1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012217556 558354274 /nfs/dbraw/zinc/35/42/74/558354274.db2.gz IUWDGXYZPNFSSU-UHFFFAOYSA-N 0 0 418.512 5.171 50 0 HKAARN CCOc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(C)n1 ZINC000012225432 560894091 /nfs/dbraw/zinc/89/40/91/560894091.db2.gz BNXHYSQBWMPBNO-UHFFFAOYSA-N 0 0 416.403 5.198 50 0 HKAARN CCOc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC000012225442 560894058 /nfs/dbraw/zinc/89/40/58/560894058.db2.gz WGFMFDXPIRFJBU-UHFFFAOYSA-N 0 0 416.403 5.198 50 0 HKAARN CCOc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(C)n1 ZINC000012225447 560894102 /nfs/dbraw/zinc/89/41/02/560894102.db2.gz MPMYZVROWFWVOY-UHFFFAOYSA-N 0 0 416.403 5.198 50 0 HKAARN COc1cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC000012225784 560894189 /nfs/dbraw/zinc/89/41/89/560894189.db2.gz OWMAWZIVJLLHLE-UHFFFAOYSA-N 0 0 417.391 5.200 50 0 HKAARN COc1cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nc(C)n1 ZINC000012225789 560894197 /nfs/dbraw/zinc/89/41/97/560894197.db2.gz GZYCRZUUNUHINA-UHFFFAOYSA-N 0 0 417.391 5.200 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OCC)cc2)nc(C)n1 ZINC000012225900 560894158 /nfs/dbraw/zinc/89/41/58/560894158.db2.gz XEBNSHDJYDXNOL-UHFFFAOYSA-N 0 0 421.501 5.360 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(C)n1 ZINC000012225916 560894163 /nfs/dbraw/zinc/89/41/63/560894163.db2.gz VDIVLLOMEYWWDD-UHFFFAOYSA-N 0 0 409.465 5.409 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012225931 560894225 /nfs/dbraw/zinc/89/42/25/560894225.db2.gz ODTSDLAANTYBCP-UHFFFAOYSA-N 0 0 411.893 5.615 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012225939 560894204 /nfs/dbraw/zinc/89/42/04/560894204.db2.gz ADPRKDZCXBLWEP-UHFFFAOYSA-N 0 0 411.893 5.615 50 0 HKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 ZINC000012226002 560894227 /nfs/dbraw/zinc/89/42/27/560894227.db2.gz WBCYQNFVPSKJCT-UHFFFAOYSA-N 0 0 411.893 5.615 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 ZINC000012226014 560894206 /nfs/dbraw/zinc/89/42/06/560894206.db2.gz ROEFSMPJBWRNRQ-UHFFFAOYSA-N 0 0 421.501 5.359 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(OC(C)C)n1 ZINC000012226026 560894242 /nfs/dbraw/zinc/89/42/42/560894242.db2.gz LODFWIRWJXKACH-UHFFFAOYSA-N 0 0 411.893 5.613 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(OC(C)C)n1 ZINC000012226033 569291511 /nfs/dbraw/zinc/29/15/11/569291511.db2.gz NOVYTOWAXTVMSK-UHFFFAOYSA-N 0 0 411.893 5.613 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012226151 560894308 /nfs/dbraw/zinc/89/43/08/560894308.db2.gz UMFFIAQSFXQPJP-UHFFFAOYSA-N 0 0 417.214 5.613 50 0 HKAARN CN(Cc1nc2ccccc2o1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012226282 558357120 /nfs/dbraw/zinc/35/71/20/558357120.db2.gz OGHUKDWCUZSZPI-UHFFFAOYSA-N 0 0 411.461 5.026 50 0 HKAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012226328 560894577 /nfs/dbraw/zinc/89/45/77/560894577.db2.gz VXQXXSYKTOECEF-UHFFFAOYSA-N 0 0 414.786 5.028 50 0 HKAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012226856 558357047 /nfs/dbraw/zinc/35/70/47/558357047.db2.gz GXUXOSLGYDABQB-UHFFFAOYSA-N 0 0 414.509 5.333 50 0 HKAARN CSc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000012227316 560895638 /nfs/dbraw/zinc/89/56/38/560895638.db2.gz SKUWOBFVQSJTGO-UHFFFAOYSA-N 0 0 407.417 5.049 50 0 HKAARN CC(C)c1ccccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012228147 560895612 /nfs/dbraw/zinc/89/56/12/560895612.db2.gz HAWXDAPZQKOVCS-UHFFFAOYSA-N 0 0 403.404 5.450 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)cc3Br)c12 ZINC000012228687 560895696 /nfs/dbraw/zinc/89/56/96/560895696.db2.gz PFXHSFCFODNPLT-UHFFFAOYSA-N 0 0 422.282 5.521 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000012240372 568455533 /nfs/dbraw/zinc/45/55/33/568455533.db2.gz NZNHICWBJFTKFF-UHFFFAOYSA-N 0 0 406.486 5.675 50 0 HKAARN CCC(=O)N(Cc1cc2ccc(C)cc2nc1-c1ccc(OC)c(OC)c1)C1CC1 ZINC000012242742 558360960 /nfs/dbraw/zinc/36/09/60/558360960.db2.gz SRLXSQMPQUJPPY-UHFFFAOYSA-N 0 0 404.510 5.128 50 0 HKAARN COc1ccc2cc(CN(C(=O)C(C)C)C3CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000012244685 558361063 /nfs/dbraw/zinc/36/10/63/558361063.db2.gz GWHOWTBZNUHMSH-UHFFFAOYSA-N 0 0 408.929 5.711 50 0 HKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)C(C)C)C2CC2)c1 ZINC000012244691 558361115 /nfs/dbraw/zinc/36/11/15/558361115.db2.gz DMVMXXSRZROOMH-UHFFFAOYSA-N 0 0 420.578 5.779 50 0 HKAARN COCCN(Cc1cc2ccc(F)cc2nc1-c1ccc(C)cc1)C(=O)c1ccco1 ZINC000012244953 558361083 /nfs/dbraw/zinc/36/10/83/558361083.db2.gz PKJQKTGKVPREPQ-UHFFFAOYSA-N 0 0 418.468 5.231 50 0 HKAARN COc1cccc(-n2c(CN(C)C/C=C/c3ccccc3)nnc2SCC(C)C)c1 ZINC000012247380 558362044 /nfs/dbraw/zinc/36/20/44/558362044.db2.gz QJYXYJRBFCHDRO-FMIVXFBMSA-N 0 0 422.598 5.169 50 0 HKAARN Cc1nc(NCc2cccs2)sc1-c1ccn(CCCc2cccc(C)n2)n1 ZINC000012247871 558362084 /nfs/dbraw/zinc/36/20/84/558362084.db2.gz FFUIBVSHPQMXNF-UHFFFAOYSA-N 0 0 409.584 5.325 50 0 HKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)Nc1cccc(Cl)c1Cl ZINC000012249668 568455845 /nfs/dbraw/zinc/45/58/45/568455845.db2.gz BFPCNCXNMWAGNE-UHFFFAOYSA-N 0 0 414.317 6.105 50 0 HKAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000012249827 568456000 /nfs/dbraw/zinc/45/60/00/568456000.db2.gz VLRSWZLVJDCLKA-UHFFFAOYSA-N 0 0 400.459 5.001 50 0 HKAARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC(C)(C)C)c(N)c32)cc1 ZINC000012249989 568455818 /nfs/dbraw/zinc/45/58/18/568455818.db2.gz MDKUIQCQGSLFGJ-UHFFFAOYSA-N 0 0 415.562 6.049 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000012249990 568455875 /nfs/dbraw/zinc/45/58/75/568455875.db2.gz UEAVDSNURZVMRX-UHFFFAOYSA-N 0 0 411.486 6.058 50 0 HKAARN Cc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccco4)c3c2N)cc1 ZINC000012250041 568456011 /nfs/dbraw/zinc/45/60/11/568456011.db2.gz UIQVAYMLQDLYLU-UHFFFAOYSA-N 0 0 424.525 6.653 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000012250470 568456216 /nfs/dbraw/zinc/45/62/16/568456216.db2.gz VINHDRZWFSBFMG-UHFFFAOYSA-N 0 0 418.949 6.309 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1 ZINC000012250492 568456249 /nfs/dbraw/zinc/45/62/49/568456249.db2.gz VUARROJLMFPZIA-UHFFFAOYSA-N 0 0 413.546 5.985 50 0 HKAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000012250493 568456223 /nfs/dbraw/zinc/45/62/23/568456223.db2.gz LFLINHBNDSEVIH-UHFFFAOYSA-N 0 0 417.509 5.816 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000012250508 568456166 /nfs/dbraw/zinc/45/61/66/568456166.db2.gz MCGQDZDHVSXRAC-UHFFFAOYSA-N 0 0 417.509 5.816 50 0 HKAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000012250558 568456219 /nfs/dbraw/zinc/45/62/19/568456219.db2.gz BMRBRRBVXDPOEF-UHFFFAOYSA-N 0 0 424.953 5.888 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(C)cc4)ccc3c2N)c1 ZINC000012250920 568456234 /nfs/dbraw/zinc/45/62/34/568456234.db2.gz VSNTZSVALWJDMC-UHFFFAOYSA-N 0 0 419.506 5.123 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1OC ZINC000012250921 568456243 /nfs/dbraw/zinc/45/62/43/568456243.db2.gz QSCVKXRRLLJQRJ-UHFFFAOYSA-N 0 0 419.506 5.123 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4c(C)cccc4C)sc3n2)cc1 ZINC000012250924 568456226 /nfs/dbraw/zinc/45/62/26/568456226.db2.gz KQDTXPGFHIEIPB-UHFFFAOYSA-N 0 0 403.507 5.423 50 0 HKAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1OC ZINC000012250933 568456233 /nfs/dbraw/zinc/45/62/33/568456233.db2.gz ZPGNOJYBGWEOMP-UHFFFAOYSA-N 0 0 404.491 5.102 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000012253579 568456248 /nfs/dbraw/zinc/45/62/48/568456248.db2.gz YOJKANJGKWLMDM-UHFFFAOYSA-N 0 0 409.898 5.690 50 0 HKAARN COc1ccc2c(c1)nc(S[C@H](C(N)=O)c1ccccc1)cc2-c1ccccc1 ZINC000012257613 568456400 /nfs/dbraw/zinc/45/64/00/568456400.db2.gz IWEGOXIBDZPBTE-QHCPKHFHSA-N 0 0 400.503 5.229 50 0 HKAARN COc1ccc2c(c1)nc(S[C@@H](C(N)=O)c1ccccc1)cc2-c1ccccc1 ZINC000012257619 568456380 /nfs/dbraw/zinc/45/63/80/568456380.db2.gz IWEGOXIBDZPBTE-HSZRJFAPSA-N 0 0 400.503 5.229 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc2ccc(F)cc2s1 ZINC000012261559 568456968 /nfs/dbraw/zinc/45/69/68/568456968.db2.gz HVBMQALGLWDOQV-UHFFFAOYSA-N 0 0 401.850 5.315 50 0 HKAARN Cc1cccc(Nc2nnc(SCc3csc(-c4ccccn4)n3)s2)c1C ZINC000012263651 568456966 /nfs/dbraw/zinc/45/69/66/568456966.db2.gz JKMWBEJJWDODRP-UHFFFAOYSA-N 0 0 411.581 5.709 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000012273696 560884540 /nfs/dbraw/zinc/88/45/40/560884540.db2.gz MMERVNWSGQXRKE-XUZZJYLKSA-N 0 0 404.897 5.981 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C ZINC000012273699 558363427 /nfs/dbraw/zinc/36/34/27/558363427.db2.gz GINITLSEYLQLRN-UHFFFAOYSA-N 0 0 418.276 5.991 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000012273724 558363395 /nfs/dbraw/zinc/36/33/95/558363395.db2.gz QNHVIRAUOIERIW-AHWVRZQESA-N 0 0 414.505 5.725 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000012273725 558363436 /nfs/dbraw/zinc/36/34/36/558363436.db2.gz QNHVIRAUOIERIW-RSXGOPAZSA-N 0 0 414.505 5.725 50 0 HKAARN CC[C@@H]1Oc2c(OC)cc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000012273855 558363475 /nfs/dbraw/zinc/36/34/75/558363475.db2.gz NNJNUAGMWFUVJF-AEFFLSMTSA-N 0 0 421.722 5.391 50 0 HKAARN CC[C@H]1Oc2c(OC)cc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000012273856 558363458 /nfs/dbraw/zinc/36/34/58/558363458.db2.gz NNJNUAGMWFUVJF-SJLPKXTDSA-N 0 0 421.722 5.391 50 0 HKAARN Cc1cc(-c2nn3c(nnc3-c3ccccc3)s2)c2cc(Br)ccc2n1 ZINC000012274141 568457355 /nfs/dbraw/zinc/45/73/55/568457355.db2.gz HQCQSXLRJQFQFB-UHFFFAOYSA-N 0 0 422.311 5.139 50 0 HKAARN FC(F)(F)c1ccc(-c2ccccc2-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000012274143 568457317 /nfs/dbraw/zinc/45/73/17/568457317.db2.gz KGXSAOJSUBXQDX-UHFFFAOYSA-N 0 0 422.435 6.206 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cc2ccccc2c(=O)s1 ZINC000012274414 558363657 /nfs/dbraw/zinc/36/36/57/558363657.db2.gz KIJXGOLMPRXXIB-UHFFFAOYSA-N 0 0 412.923 5.215 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)s3)s2)cc1 ZINC000012274420 558363631 /nfs/dbraw/zinc/36/36/31/558363631.db2.gz KIPJPKQSANJXOP-UHFFFAOYSA-N 0 0 406.532 5.124 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2c(=O)s1 ZINC000012274428 558363633 /nfs/dbraw/zinc/36/36/33/558363633.db2.gz PUXFGKFXZNAYTF-UHFFFAOYSA-N 0 0 412.923 5.215 50 0 HKAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274471 558363644 /nfs/dbraw/zinc/36/36/44/558363644.db2.gz LHNLZDJGEGLESD-UHFFFAOYSA-N 0 0 423.476 5.253 50 0 HKAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274474 558363658 /nfs/dbraw/zinc/36/36/58/558363658.db2.gz XXQTZRZQNMJAOA-UHFFFAOYSA-N 0 0 423.476 5.253 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012274566 568457433 /nfs/dbraw/zinc/45/74/33/568457433.db2.gz MTEDSEGMNWFMEE-HXUWFJFHSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012274567 568457464 /nfs/dbraw/zinc/45/74/64/568457464.db2.gz MTEDSEGMNWFMEE-FQEVSTJZSA-N 0 0 412.272 5.700 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1 ZINC000012274603 568457384 /nfs/dbraw/zinc/45/73/84/568457384.db2.gz SMTNGCKDMQAHQL-JOCHJYFZSA-N 0 0 419.864 5.249 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1 ZINC000012274604 568457431 /nfs/dbraw/zinc/45/74/31/568457431.db2.gz SMTNGCKDMQAHQL-QFIPXVFZSA-N 0 0 419.864 5.249 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000012274611 568457476 /nfs/dbraw/zinc/45/74/76/568457476.db2.gz NPQAFMZTTBCTCC-FQEVSTJZSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000012274612 568457376 /nfs/dbraw/zinc/45/73/76/568457376.db2.gz NPQAFMZTTBCTCC-HXUWFJFHSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000012274617 568457402 /nfs/dbraw/zinc/45/74/02/568457402.db2.gz GORTXXGCRNJISE-FQEVSTJZSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000012274618 568457478 /nfs/dbraw/zinc/45/74/78/568457478.db2.gz GORTXXGCRNJISE-HXUWFJFHSA-N 0 0 412.272 5.700 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1C ZINC000012274621 568457406 /nfs/dbraw/zinc/45/74/06/568457406.db2.gz NOSNKLHVLWOWBR-JOCHJYFZSA-N 0 0 405.881 5.663 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1C ZINC000012274622 568457427 /nfs/dbraw/zinc/45/74/27/568457427.db2.gz NOSNKLHVLWOWBR-QFIPXVFZSA-N 0 0 405.881 5.663 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1 ZINC000012274623 568457381 /nfs/dbraw/zinc/45/73/81/568457381.db2.gz LQDFOMQYHYPFFW-JOCHJYFZSA-N 0 0 405.881 5.663 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1 ZINC000012274624 568457373 /nfs/dbraw/zinc/45/73/73/568457373.db2.gz LQDFOMQYHYPFFW-QFIPXVFZSA-N 0 0 405.881 5.663 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C ZINC000012274733 568457454 /nfs/dbraw/zinc/45/74/54/568457454.db2.gz ZNZZIJILHVNNPP-UHFFFAOYSA-N 0 0 417.914 6.016 50 0 HKAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2coc(-c3ccccc3)c2c1 ZINC000012274822 568457389 /nfs/dbraw/zinc/45/73/89/568457389.db2.gz IGOMLKUQHRXUBL-UHFFFAOYSA-N 0 0 412.424 5.380 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012276106 558364230 /nfs/dbraw/zinc/36/42/30/558364230.db2.gz UYJMAOUZBPZVAZ-NOZRDPDXSA-N 0 0 400.478 5.336 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012276108 558364234 /nfs/dbraw/zinc/36/42/34/558364234.db2.gz UYJMAOUZBPZVAZ-ILBGXUMGSA-N 0 0 400.478 5.336 50 0 HKAARN COc1cccc(CNc2nc(C)c(-c3ccn(CCc4cccs4)n3)s2)c1 ZINC000012278411 558364730 /nfs/dbraw/zinc/36/47/30/558364730.db2.gz ZXZLXCULMDIPMN-UHFFFAOYSA-N 0 0 410.568 5.240 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000012278529 568457576 /nfs/dbraw/zinc/45/75/76/568457576.db2.gz NKFODADZZIFUEI-OAHLLOKOSA-N 0 0 420.440 5.018 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000012278530 568457489 /nfs/dbraw/zinc/45/74/89/568457489.db2.gz NKFODADZZIFUEI-HNNXBMFYSA-N 0 0 420.440 5.018 50 0 HKAARN COc1ccc(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)cc1 ZINC000012279145 558364943 /nfs/dbraw/zinc/36/49/43/558364943.db2.gz HRXZQSSUGRQRQG-UHFFFAOYSA-N 0 0 408.502 5.123 50 0 HKAARN COc1cc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)ccc1F ZINC000012279186 558364919 /nfs/dbraw/zinc/36/49/19/558364919.db2.gz NQNBVUCBCLVJLD-UHFFFAOYSA-N 0 0 414.531 5.185 50 0 HKAARN COc1ccc(CNc2nc(C)c(-c3ccn(Cc4ccccc4F)n3)s2)cc1 ZINC000012279263 558364939 /nfs/dbraw/zinc/36/49/39/558364939.db2.gz OYDVNUYRXPLDME-UHFFFAOYSA-N 0 0 408.502 5.123 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000012285044 558365670 /nfs/dbraw/zinc/36/56/70/558365670.db2.gz CFSZZSJOHNXJEJ-UHFFFAOYSA-N 0 0 421.230 5.776 50 0 HKAARN COc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 ZINC000012285085 568458185 /nfs/dbraw/zinc/45/81/85/568458185.db2.gz RFBQAXUUGFKKPP-UHFFFAOYSA-N 0 0 419.289 6.124 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)oc2cc1C ZINC000012285342 569319925 /nfs/dbraw/zinc/31/99/25/569319925.db2.gz DMWJRFBKMVVDMD-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012285348 558365669 /nfs/dbraw/zinc/36/56/69/558365669.db2.gz QDYFYWQOVDBTGL-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 ZINC000012285349 558365739 /nfs/dbraw/zinc/36/57/39/558365739.db2.gz QDYFYWQOVDBTGL-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN O=c1[nH]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000012285372 569319929 /nfs/dbraw/zinc/31/99/29/569319929.db2.gz JWFBLHTZWRWSKE-UHFFFAOYSA-N 0 0 417.317 6.097 50 0 HKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000012285375 569319945 /nfs/dbraw/zinc/31/99/45/569319945.db2.gz BGSPCAGUHZVBMY-CIAFOILYSA-N 0 0 424.283 5.917 50 0 HKAARN Cc1c(C(=O)Nc2nc3ccc(F)cc3s2)sc2nc(-c3ccccc3)cn12 ZINC000012289145 569400304 /nfs/dbraw/zinc/40/03/04/569400304.db2.gz MZDPEVDWRQIIKU-UHFFFAOYSA-N 0 0 408.483 5.372 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1I ZINC000012289815 558365730 /nfs/dbraw/zinc/36/57/30/558365730.db2.gz GKZJLVVQCMVBBT-UHFFFAOYSA-N 0 0 406.050 5.159 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000012292613 558365675 /nfs/dbraw/zinc/36/56/75/558365675.db2.gz NNWGQDZMCBSVKM-QGZVFWFLSA-N 0 0 402.519 5.986 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000012292618 558365717 /nfs/dbraw/zinc/36/57/17/558365717.db2.gz NNWGQDZMCBSVKM-KRWDZBQOSA-N 0 0 402.519 5.986 50 0 HKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 ZINC000012296819 568462466 /nfs/dbraw/zinc/46/24/66/568462466.db2.gz FSDAWCPVBDWVJO-UHFFFAOYSA-N 0 0 411.413 5.467 50 0 biogenic HKAARN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012297723 558367599 /nfs/dbraw/zinc/36/75/99/558367599.db2.gz RZZNCNYIVVCSAP-OAHLLOKOSA-N 0 0 424.850 5.794 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012297724 558367603 /nfs/dbraw/zinc/36/76/03/558367603.db2.gz RZZNCNYIVVCSAP-HNNXBMFYSA-N 0 0 424.850 5.794 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccccc1F ZINC000012297894 558367969 /nfs/dbraw/zinc/36/79/69/558367969.db2.gz IGKKJUCPPRPAIA-HSZRJFAPSA-N 0 0 405.473 5.006 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccccc1F ZINC000012297895 558367924 /nfs/dbraw/zinc/36/79/24/558367924.db2.gz IGKKJUCPPRPAIA-QHCPKHFHSA-N 0 0 405.473 5.006 50 0 HKAARN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CNCc1cc(-c2ccccc2)on1 ZINC000012298188 558368205 /nfs/dbraw/zinc/36/82/05/558368205.db2.gz IYZZSTXHVWJPFP-UHFFFAOYSA-N 0 0 406.489 5.689 50 0 HKAARN CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000012298711 558368605 /nfs/dbraw/zinc/36/86/05/558368605.db2.gz OUROMCPKPPHOQL-LJQANCHMSA-N 0 0 409.530 5.177 50 0 HKAARN CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000012298712 558368760 /nfs/dbraw/zinc/36/87/60/558368760.db2.gz OUROMCPKPPHOQL-IBGZPJMESA-N 0 0 409.530 5.177 50 0 HKAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc(C(C)C)n[nH]1 ZINC000012299038 558369067 /nfs/dbraw/zinc/36/90/67/558369067.db2.gz GWYKBZUMBXIKER-VWLOTQADSA-N 0 0 400.526 5.171 50 0 HKAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc(C(C)C)n[nH]1 ZINC000012299039 558369208 /nfs/dbraw/zinc/36/92/08/558369208.db2.gz GWYKBZUMBXIKER-RUZDIDTESA-N 0 0 400.526 5.171 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000012299212 558369226 /nfs/dbraw/zinc/36/92/26/558369226.db2.gz PWWPKDHNQIGAMG-OAHLLOKOSA-N 0 0 400.931 5.460 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C(=O)c2cccs2)C1 ZINC000012299213 558369311 /nfs/dbraw/zinc/36/93/11/558369311.db2.gz PWWPKDHNQIGAMG-HNNXBMFYSA-N 0 0 400.931 5.460 50 0 HKAARN CC(C)N(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1nccn1C ZINC000012300845 558370672 /nfs/dbraw/zinc/37/06/72/558370672.db2.gz ZMZHJGXHZMJBAK-UHFFFAOYSA-N 0 0 405.590 5.279 50 0 HKAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012301048 558370961 /nfs/dbraw/zinc/37/09/61/558370961.db2.gz WEHYRECWJYVGOA-IBGZPJMESA-N 0 0 421.497 5.188 50 0 HKAARN COc1ccccc1[C@H]1CCCN1C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012301050 558370878 /nfs/dbraw/zinc/37/08/78/558370878.db2.gz WEHYRECWJYVGOA-LJQANCHMSA-N 0 0 421.497 5.188 50 0 HKAARN CCn1ccnc1CN(C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000012301302 558370897 /nfs/dbraw/zinc/37/08/97/558370897.db2.gz ALOMAXREJKNSED-UHFFFAOYSA-N 0 0 423.561 5.205 50 0 HKAARN Cc1ccc(C2(c3noc(CN(C)Cc4cccc5cnccc54)n3)CCCC2)cc1 ZINC000012301508 558371287 /nfs/dbraw/zinc/37/12/87/558371287.db2.gz OESFBJYADAEHCK-UHFFFAOYSA-N 0 0 412.537 5.418 50 0 HKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000012301835 558371459 /nfs/dbraw/zinc/37/14/59/558371459.db2.gz NMALGZXHDVGIQW-UHFFFAOYSA-N 0 0 413.521 5.122 50 0 HKAARN C[C@H](c1nccs1)N(C)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012301934 558371566 /nfs/dbraw/zinc/37/15/66/558371566.db2.gz RIGBRUVVKIRASN-LLVKDONJSA-N 0 0 402.932 5.006 50 0 HKAARN C[C@@H](c1nccs1)N(C)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012301935 558371516 /nfs/dbraw/zinc/37/15/16/558371516.db2.gz RIGBRUVVKIRASN-NSHDSACASA-N 0 0 402.932 5.006 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012302187 558371764 /nfs/dbraw/zinc/37/17/64/558371764.db2.gz YOJSQVWNUXBRDP-OAQYLSRUSA-N 0 0 412.533 5.682 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012302189 558371840 /nfs/dbraw/zinc/37/18/40/558371840.db2.gz YOJSQVWNUXBRDP-NRFANRHFSA-N 0 0 412.533 5.682 50 0 HKAARN COc1ccc(F)c(-c2nc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305930 558374875 /nfs/dbraw/zinc/37/48/75/558374875.db2.gz OZZMVUSPVBIJRJ-JOCHJYFZSA-N 0 0 420.488 5.401 50 0 HKAARN COc1ccc(F)c(-c2nc(CN3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c1 ZINC000012305932 558375033 /nfs/dbraw/zinc/37/50/33/558375033.db2.gz OZZMVUSPVBIJRJ-QFIPXVFZSA-N 0 0 420.488 5.401 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000012308250 558376667 /nfs/dbraw/zinc/37/66/67/558376667.db2.gz ZEBUVWVVCOBGPN-UHFFFAOYSA-N 0 0 423.463 5.003 50 0 HKAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1OC ZINC000012308264 558376717 /nfs/dbraw/zinc/37/67/17/558376717.db2.gz GUPKNSOUJGGHSQ-HSZRJFAPSA-N 0 0 416.521 5.088 50 0 HKAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1OC ZINC000012308265 558376709 /nfs/dbraw/zinc/37/67/09/558376709.db2.gz GUPKNSOUJGGHSQ-QHCPKHFHSA-N 0 0 416.521 5.088 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C(F)(F)F)cc1 ZINC000012311338 568466101 /nfs/dbraw/zinc/46/61/01/568466101.db2.gz QOOALVDQAXWPFZ-IFMALSPDSA-N 0 0 412.386 6.087 50 0 HKAARN CCn1c2ccccc2nc1[C@@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012311347 558377298 /nfs/dbraw/zinc/37/72/98/558377298.db2.gz JEGSQGJFUXOPOS-HXUWFJFHSA-N 0 0 409.599 5.578 50 0 HKAARN CCn1c2ccccc2nc1[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000012311348 558377193 /nfs/dbraw/zinc/37/71/93/558377193.db2.gz JEGSQGJFUXOPOS-FQEVSTJZSA-N 0 0 409.599 5.578 50 0 HKAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1)c1ccccn1 ZINC000012311530 568466063 /nfs/dbraw/zinc/46/60/63/568466063.db2.gz ZEUQIEFKAYKXPS-UHFFFAOYSA-N 0 0 410.317 6.098 50 0 HKAARN O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012311609 568466095 /nfs/dbraw/zinc/46/60/95/568466095.db2.gz GCAJDLWNZZCGQI-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1cccnc1)O2 ZINC000012311676 568466122 /nfs/dbraw/zinc/46/61/22/568466122.db2.gz NTSXZTJFYARBHS-APWZRJJASA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1cccnc1)O2 ZINC000012311677 568466272 /nfs/dbraw/zinc/46/62/72/568466272.db2.gz NTSXZTJFYARBHS-VQIMIIECSA-N 0 0 412.312 5.148 50 0 HKAARN C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccc2ccccc12 ZINC000012311875 568466422 /nfs/dbraw/zinc/46/64/22/568466422.db2.gz DXCVXRJCJKTRRT-UHFFFAOYSA-N 0 0 420.562 7.648 50 0 HKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3c(F)cccc3F)C2=O)cc1 ZINC000012311930 132358342 /nfs/dbraw/zinc/35/83/42/132358342.db2.gz CJFLRLPAPLTAPC-RGEXLXHISA-N 0 0 420.415 5.004 50 0 HKAARN COc1cccc([C@@H]2CCCN2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313814 558377112 /nfs/dbraw/zinc/37/71/12/558377112.db2.gz HGIWSWBOPJPFHJ-NRFANRHFSA-N 0 0 408.498 5.013 50 0 HKAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313815 558377220 /nfs/dbraw/zinc/37/72/20/558377220.db2.gz HGIWSWBOPJPFHJ-OAQYLSRUSA-N 0 0 408.498 5.013 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1CCCC(F)(F)F ZINC000012313967 558377476 /nfs/dbraw/zinc/37/74/76/558377476.db2.gz RVZQVHYGJPSLKF-LJQANCHMSA-N 0 0 407.436 5.009 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1CCCC(F)(F)F ZINC000012313968 558377545 /nfs/dbraw/zinc/37/75/45/558377545.db2.gz RVZQVHYGJPSLKF-IBGZPJMESA-N 0 0 407.436 5.009 50 0 HKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2c(F)cccc2Cl)no1 ZINC000012314091 558377538 /nfs/dbraw/zinc/37/75/38/558377538.db2.gz ZXWORROWIGBYGX-NRFANRHFSA-N 0 0 409.848 5.045 50 0 HKAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2c(F)cccc2Cl)no1 ZINC000012314092 558377544 /nfs/dbraw/zinc/37/75/44/558377544.db2.gz ZXWORROWIGBYGX-OAQYLSRUSA-N 0 0 409.848 5.045 50 0 HKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@H](C)c2ccon2)c(C)s1 ZINC000012314336 558377756 /nfs/dbraw/zinc/37/77/56/558377756.db2.gz MLUXNOMXJSMJIT-OAHLLOKOSA-N 0 0 410.518 5.538 50 0 HKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@@H](C)c2ccon2)c(C)s1 ZINC000012314337 558377769 /nfs/dbraw/zinc/37/77/69/558377769.db2.gz MLUXNOMXJSMJIT-HNNXBMFYSA-N 0 0 410.518 5.538 50 0 HKAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)c2)c1 ZINC000012314927 558378407 /nfs/dbraw/zinc/37/84/07/558378407.db2.gz QXUQQGBFRKNBLP-LJQANCHMSA-N 0 0 418.459 5.182 50 0 HKAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCC(F)(F)F)C3)c2)c1 ZINC000012314928 558378401 /nfs/dbraw/zinc/37/84/01/558378401.db2.gz QXUQQGBFRKNBLP-IBGZPJMESA-N 0 0 418.459 5.182 50 0 HKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000012315741 558379106 /nfs/dbraw/zinc/37/91/06/558379106.db2.gz TVHJGZGKNQDXNP-HXUWFJFHSA-N 0 0 410.880 5.656 50 0 HKAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000012315742 558379171 /nfs/dbraw/zinc/37/91/71/558379171.db2.gz TVHJGZGKNQDXNP-FQEVSTJZSA-N 0 0 410.880 5.656 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@@H]1c1nccn1C ZINC000012316305 558379658 /nfs/dbraw/zinc/37/96/58/558379658.db2.gz RRQUVHHXQSWBMP-GOSISDBHSA-N 0 0 404.436 5.130 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1c1nccn1C ZINC000012316306 558379644 /nfs/dbraw/zinc/37/96/44/558379644.db2.gz RRQUVHHXQSWBMP-SFHVURJKSA-N 0 0 404.436 5.130 50 0 HKAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC2(C=Cc3ccccc32)CC1 ZINC000012316471 568466859 /nfs/dbraw/zinc/46/68/59/568466859.db2.gz XWXGPVPXYJBANP-UHFFFAOYSA-N 0 0 411.530 5.264 50 0 HKAARN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316584 558379898 /nfs/dbraw/zinc/37/98/98/558379898.db2.gz FKVFRWZEHSRXNW-JOCHJYFZSA-N 0 0 420.488 5.401 50 0 HKAARN COc1ccc(-c2nc(CN3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)c(F)c1 ZINC000012316585 558379998 /nfs/dbraw/zinc/37/99/98/558379998.db2.gz FKVFRWZEHSRXNW-QFIPXVFZSA-N 0 0 420.488 5.401 50 0 HKAARN CN(Cc1cc(C2CC2)n[nH]1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012316616 558379820 /nfs/dbraw/zinc/37/98/20/558379820.db2.gz VWFSHBXFERDJSN-UHFFFAOYSA-N 0 0 413.525 5.112 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000012318362 558381312 /nfs/dbraw/zinc/38/13/12/558381312.db2.gz DKLZGVGTPRKJTK-UHFFFAOYSA-N 0 0 423.463 5.003 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000012318863 558381800 /nfs/dbraw/zinc/38/18/00/558381800.db2.gz OYQPEFQPKQHVBB-HSZRJFAPSA-N 0 0 405.473 5.006 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000012318865 558381737 /nfs/dbraw/zinc/38/17/37/558381737.db2.gz OYQPEFQPKQHVBB-QHCPKHFHSA-N 0 0 405.473 5.006 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@@H]1c1cccnc1 ZINC000012319077 558381688 /nfs/dbraw/zinc/38/16/88/558381688.db2.gz SGUPMUHBJDUVCR-HXUWFJFHSA-N 0 0 401.432 5.791 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1c1cccnc1 ZINC000012319079 558381745 /nfs/dbraw/zinc/38/17/45/558381745.db2.gz SGUPMUHBJDUVCR-FQEVSTJZSA-N 0 0 401.432 5.791 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1cccc(F)c1F ZINC000012319202 558381756 /nfs/dbraw/zinc/38/17/56/558381756.db2.gz PCOHQQISOOURRI-JOCHJYFZSA-N 0 0 423.463 5.145 50 0 HKAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1cccc(F)c1F ZINC000012319203 558381792 /nfs/dbraw/zinc/38/17/92/558381792.db2.gz PCOHQQISOOURRI-QFIPXVFZSA-N 0 0 423.463 5.145 50 0 HKAARN O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@@H]1c1cccnc1 ZINC000012319531 569381640 /nfs/dbraw/zinc/38/16/40/569381640.db2.gz IXAZZIYGNFZVJV-HSZRJFAPSA-N 0 0 411.505 5.375 50 0 HKAARN O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1c1cccnc1 ZINC000012319532 569381605 /nfs/dbraw/zinc/38/16/05/569381605.db2.gz IXAZZIYGNFZVJV-QHCPKHFHSA-N 0 0 411.505 5.375 50 0 HKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@@H]1c1cccnc1 ZINC000012320054 558382037 /nfs/dbraw/zinc/38/20/37/558382037.db2.gz IXKQCQXMEJSCHC-LJQANCHMSA-N 0 0 411.889 5.154 50 0 HKAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@H]1c1cccnc1 ZINC000012320056 558382055 /nfs/dbraw/zinc/38/20/55/558382055.db2.gz IXKQCQXMEJSCHC-IBGZPJMESA-N 0 0 411.889 5.154 50 0 HKAARN Clc1ccc(-c2cc3nn4c(nc(-c5ccccc5)c4-c4ccccc4)nc3o2)cc1 ZINC000012320960 568470640 /nfs/dbraw/zinc/47/06/40/568470640.db2.gz INSPBZJLIGNJGT-UHFFFAOYSA-N 0 0 422.875 6.525 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2c1[C@H](C(F)(F)F)C=C(c1cccs1)N2 ZINC000012320965 568470635 /nfs/dbraw/zinc/47/06/35/568470635.db2.gz CJKHDVRTYDWDQC-LLVKDONJSA-N 0 0 421.469 5.757 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](C(F)(F)F)C=C(c1cccs1)N2 ZINC000012320966 568470641 /nfs/dbraw/zinc/47/06/41/568470641.db2.gz CJKHDVRTYDWDQC-NSHDSACASA-N 0 0 421.469 5.757 50 0 HKAARN Cc1occc1-c1nnc2sc(-c3cc(-c4cccs4)nc4ccccc43)nn21 ZINC000012321224 558382527 /nfs/dbraw/zinc/38/25/27/558382527.db2.gz CPJWDEGEAIEXEV-UHFFFAOYSA-N 0 0 415.503 5.698 50 0 HKAARN CC(C)C(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc2nccnc2c1 ZINC000012321260 568470678 /nfs/dbraw/zinc/47/06/78/568470678.db2.gz QGVWWJOLVNYEOX-HXUWFJFHSA-N 0 0 413.308 5.270 50 0 HKAARN CC(C)C(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccc2nccnc2c1 ZINC000012321261 568470732 /nfs/dbraw/zinc/47/07/32/568470732.db2.gz QGVWWJOLVNYEOX-FQEVSTJZSA-N 0 0 413.308 5.270 50 0 HKAARN O=C(Nc1ccnn1Cc1cccs1)c1sc2cccc(Cl)c2c1Cl ZINC000012321495 568470942 /nfs/dbraw/zinc/47/09/42/568470942.db2.gz FCXIVKFXAIRBAN-UHFFFAOYSA-N 0 0 408.335 5.767 50 0 HKAARN COc1ccccc1CCNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000012321738 568471067 /nfs/dbraw/zinc/47/10/67/568471067.db2.gz YYQKPWMIFUQIRQ-UHFFFAOYSA-N 0 0 421.349 5.027 50 0 HKAARN Cc1nc2sc3c(c2c2nc(-c4ccc(Cl)cc4Cl)nn21)CC(C)(C)OC3 ZINC000012321865 568471007 /nfs/dbraw/zinc/47/10/07/568471007.db2.gz MMNAHOWTADTCIZ-UHFFFAOYSA-N 0 0 419.337 5.473 50 0 HKAARN COc1ccc(CCNC(=O)Cc2cnc(-c3c(Cl)cccc3Cl)s2)cc1 ZINC000012322118 568470848 /nfs/dbraw/zinc/47/08/48/568470848.db2.gz AWYQKQBCBCWAAV-UHFFFAOYSA-N 0 0 421.349 5.027 50 0 HKAARN CC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000012322379 568471293 /nfs/dbraw/zinc/47/12/93/568471293.db2.gz LSIAMLNXTXDILI-UHFFFAOYSA-N 0 0 420.412 5.093 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1Cl ZINC000012322421 558382926 /nfs/dbraw/zinc/38/29/26/558382926.db2.gz ZUQVZNAGQNQQPP-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)SCCO1 ZINC000012322501 568471378 /nfs/dbraw/zinc/47/13/78/568471378.db2.gz UZBRMNGHIDKOBK-UHFFFAOYSA-N 0 0 411.548 5.311 50 0 HKAARN Clc1ccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4)nn32)c(Cl)c1 ZINC000012322635 568471098 /nfs/dbraw/zinc/47/10/98/568471098.db2.gz OKWGCAJLYMINFZ-UHFFFAOYSA-N 0 0 413.293 5.012 50 0 HKAARN COc1ccccc1NC(=O)c1sc2nc(Cc3ccccc3)nc(C)c2c1C ZINC000012323418 568471388 /nfs/dbraw/zinc/47/13/88/568471388.db2.gz BAZUUWSMXDWFRA-UHFFFAOYSA-N 0 0 403.507 5.160 50 0 HKAARN Cc1c(C(=O)Nc2nccs2)sc2nc(-c3ccccc3Cl)nc(C)c12 ZINC000012323569 568471511 /nfs/dbraw/zinc/47/15/11/568471511.db2.gz CPHOXKVWZQRFNM-UHFFFAOYSA-N 0 0 400.916 5.337 50 0 HKAARN CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000012323972 568471509 /nfs/dbraw/zinc/47/15/09/568471509.db2.gz HQVJNEKMKYGWTP-UHFFFAOYSA-N 0 0 418.526 5.091 50 0 HKAARN Fc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)o2)cc1 ZINC000012338464 569400281 /nfs/dbraw/zinc/40/02/81/569400281.db2.gz PSEUZFGICOZSOO-UHFFFAOYSA-N 0 0 417.469 5.144 50 0 HKAARN O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000012338546 569400431 /nfs/dbraw/zinc/40/04/31/569400431.db2.gz RFFXUDMUIBQENK-AATRIKPKSA-N 0 0 412.198 5.463 50 0 HKAARN CN1C[C@@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000012338623 558385775 /nfs/dbraw/zinc/38/57/75/558385775.db2.gz GUAHHIHOYRGRSC-ZLNRFVROSA-N 0 0 403.909 5.325 50 0 HKAARN CC(C)(CNC(=O)Nc1ccc(Cl)cc1)SCc1cccc(C(F)(F)F)c1 ZINC000012338643 569400434 /nfs/dbraw/zinc/40/04/34/569400434.db2.gz CKYQRMURDMNYST-UHFFFAOYSA-N 0 0 416.896 6.192 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000012339824 558385944 /nfs/dbraw/zinc/38/59/44/558385944.db2.gz QYYUBCPTWCLIIJ-UHFFFAOYSA-N 0 0 415.198 6.228 50 0 HKAARN O=S(=O)(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000012340101 558386010 /nfs/dbraw/zinc/38/60/10/558386010.db2.gz SFXAQLJREJTMAR-UHFFFAOYSA-N 0 0 424.374 5.623 50 0 HKAARN O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012340102 558386034 /nfs/dbraw/zinc/38/60/34/558386034.db2.gz MPUJGDGRFRKIOD-UHFFFAOYSA-N 0 0 422.764 6.728 50 0 HKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000012340415 558385930 /nfs/dbraw/zinc/38/59/30/558385930.db2.gz ABFFAXAUDJIANV-UHFFFAOYSA-N 0 0 412.127 5.739 50 0 HKAARN O=C(Nc1ccccc1Sc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 ZINC000012340449 558386098 /nfs/dbraw/zinc/38/60/98/558386098.db2.gz GADJONIWYVYSAJ-UHFFFAOYSA-N 0 0 414.914 6.492 50 0 HKAARN CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000012340456 558385977 /nfs/dbraw/zinc/38/59/77/558385977.db2.gz SWWFYQMBUJZICU-UHFFFAOYSA-N 0 0 417.814 5.866 50 0 HKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc4ccccc4c3)n2C)cc1Cl ZINC000012340460 558386029 /nfs/dbraw/zinc/38/60/29/558386029.db2.gz ASIQSTSSOOXOFV-OAHLLOKOSA-N 0 0 421.953 5.961 50 0 HKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4ccccc4c3)n2C)cc1Cl ZINC000012340461 558386053 /nfs/dbraw/zinc/38/60/53/558386053.db2.gz ASIQSTSSOOXOFV-HNNXBMFYSA-N 0 0 421.953 5.961 50 0 HKAARN O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000012340480 558386014 /nfs/dbraw/zinc/38/60/14/558386014.db2.gz PVGPVDXYKKQDFT-UHFFFAOYSA-N 0 0 421.324 6.605 50 0 HKAARN CN(CCOC(=O)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)nc2ccccc21 ZINC000012340520 558385950 /nfs/dbraw/zinc/38/59/50/558385950.db2.gz XJDWGWWYONBZEP-UHFFFAOYSA-N 0 0 423.822 5.592 50 0 HKAARN Clc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000012340676 558386270 /nfs/dbraw/zinc/38/62/70/558386270.db2.gz VMUQUCUYUBHCEI-UHFFFAOYSA-N 0 0 418.287 5.851 50 0 HKAARN O=C(C[C@@H](Sc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)c1ccccc1 ZINC000012340677 558386226 /nfs/dbraw/zinc/38/62/26/558386226.db2.gz BFMYYFNJXDQWFP-OAQYLSRUSA-N 0 0 421.776 7.753 50 0 HKAARN O=C(C[C@@H](Sc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000012340679 558386320 /nfs/dbraw/zinc/38/63/20/558386320.db2.gz ZSUZICJTDMJJID-OAQYLSRUSA-N 0 0 421.776 7.753 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000012341987 568483197 /nfs/dbraw/zinc/48/31/97/568483197.db2.gz WPOHKWFPTWGFKM-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c(C)c1 ZINC000012342013 568484227 /nfs/dbraw/zinc/48/42/27/568484227.db2.gz PSUPLRQXZAWWPP-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 ZINC000012342025 568484229 /nfs/dbraw/zinc/48/42/29/568484229.db2.gz AFKNMEUAPGGTPF-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 ZINC000012342031 568484201 /nfs/dbraw/zinc/48/42/01/568484201.db2.gz JKNWGIKLYQWRNN-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342061 568484331 /nfs/dbraw/zinc/48/43/31/568484331.db2.gz IBQBCAYLGUAWNQ-UHFFFAOYSA-N 0 0 423.394 5.024 50 0 HKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000012342086 568484286 /nfs/dbraw/zinc/48/42/86/568484286.db2.gz NYVSEOZTZQXEKC-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn32)cc1C ZINC000012342090 568484366 /nfs/dbraw/zinc/48/43/66/568484366.db2.gz WNUAMEBUFAEWGZ-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342092 568484277 /nfs/dbraw/zinc/48/42/77/568484277.db2.gz GBKSVFTYJVSJLH-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn32)cc1 ZINC000012342100 568484362 /nfs/dbraw/zinc/48/43/62/568484362.db2.gz NJVKDEAGGSZMMW-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)cc1Cl ZINC000012342102 568484301 /nfs/dbraw/zinc/48/43/01/568484301.db2.gz LWHSULGYYNHJRW-UHFFFAOYSA-N 0 0 409.898 5.028 50 0 HKAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1Cl ZINC000012342104 568483800 /nfs/dbraw/zinc/48/38/00/568483800.db2.gz UFTWURXESWPKTK-UHFFFAOYSA-N 0 0 421.859 5.106 50 0 HKAARN Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342113 568483757 /nfs/dbraw/zinc/48/37/57/568483757.db2.gz CAOTXLXNCMSNHS-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000012342120 568483774 /nfs/dbraw/zinc/48/37/74/568483774.db2.gz KSYQPHHIKTYMFI-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342124 568483720 /nfs/dbraw/zinc/48/37/20/568483720.db2.gz ANCVEUVVRWBVRM-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342137 568483861 /nfs/dbraw/zinc/48/38/61/568483861.db2.gz KRQNQXNDTLDCNQ-UHFFFAOYSA-N 0 0 424.287 5.312 50 0 HKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn32)cc1 ZINC000012342152 568483875 /nfs/dbraw/zinc/48/38/75/568483875.db2.gz XTXYGEBGJKHDQR-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 ZINC000012342154 568483829 /nfs/dbraw/zinc/48/38/29/568483829.db2.gz POEXLGSCGZFPGW-UHFFFAOYSA-N 0 0 409.898 5.028 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 ZINC000012342156 568483881 /nfs/dbraw/zinc/48/38/81/568483881.db2.gz VZNJTIYHXKHHEK-UHFFFAOYSA-N 0 0 421.859 5.106 50 0 HKAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn32)cc1 ZINC000012342161 568483953 /nfs/dbraw/zinc/48/39/53/568483953.db2.gz IRUKIGSLUIKHCH-UHFFFAOYSA-N 0 0 417.896 5.275 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 ZINC000012342163 568484027 /nfs/dbraw/zinc/48/40/27/568484027.db2.gz JKNBNMKUZZHVOS-UHFFFAOYSA-N 0 0 409.898 5.028 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 ZINC000012342165 568484041 /nfs/dbraw/zinc/48/40/41/568484041.db2.gz YTXZLLXXRSLCQW-UHFFFAOYSA-N 0 0 421.859 5.106 50 0 HKAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012342279 568488628 /nfs/dbraw/zinc/48/86/28/568488628.db2.gz XOEUPCUTOIYSNG-UHFFFAOYSA-N 0 0 424.287 5.253 50 0 HKAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000012342312 568488018 /nfs/dbraw/zinc/48/80/18/568488018.db2.gz GCZWQGMXPVCJGH-UHFFFAOYSA-N 0 0 422.531 5.009 50 0 HKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000012342316 568488016 /nfs/dbraw/zinc/48/80/16/568488016.db2.gz CUPVVYQRQFMESV-UHFFFAOYSA-N 0 0 422.531 5.009 50 0 HKAARN O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000012344171 568493508 /nfs/dbraw/zinc/49/35/08/568493508.db2.gz ZTSTYIFSLRRGSW-IBGZPJMESA-N 0 0 404.272 5.571 50 0 HKAARN O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012344176 568493595 /nfs/dbraw/zinc/49/35/95/568493595.db2.gz ZTSTYIFSLRRGSW-LJQANCHMSA-N 0 0 404.272 5.571 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000012347068 568494504 /nfs/dbraw/zinc/49/45/04/568494504.db2.gz NDTXJIJZLLHFLI-UHFFFAOYSA-N 0 0 408.429 6.133 50 0 HKAARN O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000012350060 558386629 /nfs/dbraw/zinc/38/66/29/558386629.db2.gz SBJLBYZBOIPTTD-XDOMSBSOSA-N 0 0 418.443 5.995 50 0 HKAARN O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000012350063 558386452 /nfs/dbraw/zinc/38/64/52/558386452.db2.gz SBJLBYZBOIPTTD-DTKUHUSLSA-N 0 0 418.443 5.995 50 0 HKAARN O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000012350068 558386599 /nfs/dbraw/zinc/38/65/99/558386599.db2.gz SBJLBYZBOIPTTD-JMAOXEMGSA-N 0 0 418.443 5.995 50 0 HKAARN O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000012350071 558386415 /nfs/dbraw/zinc/38/64/15/558386415.db2.gz SBJLBYZBOIPTTD-GDLYEYDXSA-N 0 0 418.443 5.995 50 0 HKAARN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000012351769 568498735 /nfs/dbraw/zinc/49/87/35/568498735.db2.gz KAJUQNRNAFKZGC-VIZOYTHASA-N 0 0 414.697 5.589 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000012353779 558386905 /nfs/dbraw/zinc/38/69/05/558386905.db2.gz ABRMNMWSRYGJAX-UHFFFAOYSA-N 0 0 403.310 5.178 50 0 HKAARN COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1Cl ZINC000012354266 558386818 /nfs/dbraw/zinc/38/68/18/558386818.db2.gz DCDSZRDBOYAQNL-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN Clc1c(-c2cccc(Br)c2)n[nH]c1-c1cccc(Br)c1 ZINC000012357683 558386781 /nfs/dbraw/zinc/38/67/81/558386781.db2.gz ILQQKWRMYUTCJW-UHFFFAOYSA-N 0 0 412.512 5.922 50 0 HKAARN Clc1c(-c2ccc(Br)cc2)n[nH]c1-c1ccc(Br)cc1 ZINC000012357692 558386853 /nfs/dbraw/zinc/38/68/53/558386853.db2.gz ZCORJOGONKPSMW-UHFFFAOYSA-N 0 0 412.512 5.922 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360218 568506080 /nfs/dbraw/zinc/50/60/80/568506080.db2.gz QPBPKHCZIITJND-UHFFFAOYSA-N 0 0 423.299 5.818 50 0 HKAARN O=C(Nc1cccc(Cl)c1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360223 568505935 /nfs/dbraw/zinc/50/59/35/568505935.db2.gz BBUCBYZIMOKZLZ-UHFFFAOYSA-N 0 0 423.299 5.818 50 0 HKAARN O=C(Nc1ccccc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360224 568505875 /nfs/dbraw/zinc/50/58/75/568505875.db2.gz UDPHKPGCMHHJNK-UHFFFAOYSA-N 0 0 423.299 5.818 50 0 HKAARN O=C(Nc1cccnc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360225 568506199 /nfs/dbraw/zinc/50/61/99/568506199.db2.gz RCEXTVYTEFJTKD-UHFFFAOYSA-N 0 0 424.287 5.213 50 0 HKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCCCn1c2ccccc2c2ccccc21 ZINC000012360288 558386928 /nfs/dbraw/zinc/38/69/28/558386928.db2.gz VQHKQNYZYCINNE-UHFFFAOYSA-N 0 0 400.566 5.907 50 0 HKAARN O=C(c1cc2ccccc2s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012360311 558386872 /nfs/dbraw/zinc/38/68/72/558386872.db2.gz MZJQRJOFGNFZOY-UHFFFAOYSA-N 0 0 410.542 5.429 50 0 HKAARN Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000012360394 568509277 /nfs/dbraw/zinc/50/92/77/568509277.db2.gz QXNBMJMLLGVNER-UHFFFAOYSA-N 0 0 417.246 6.702 50 0 HKAARN O=C(CCNc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000012360499 568509436 /nfs/dbraw/zinc/50/94/36/568509436.db2.gz RASJGNWQQNLRFY-UHFFFAOYSA-N 0 0 400.522 5.587 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)cc2)cn2ccccc12 ZINC000012360587 568509451 /nfs/dbraw/zinc/50/94/51/568509451.db2.gz LTSYDZVPXQBYHC-UHFFFAOYSA-N 0 0 415.707 6.819 50 0 HKAARN O=C(NCCSc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000012360629 558386831 /nfs/dbraw/zinc/38/68/31/558386831.db2.gz URFXJBRRKCZPFY-UHFFFAOYSA-N 0 0 414.983 5.549 50 0 HKAARN Cc1sc(NC(=O)c2ccc3c(c2)OCCO3)c(-c2nc3ccccc3s2)c1C ZINC000012361201 568509438 /nfs/dbraw/zinc/50/94/38/568509438.db2.gz CTVRUUBOMUVDIP-UHFFFAOYSA-N 0 0 422.531 5.665 50 0 HKAARN Cc1sc(NC(=O)[C@H]2COc3ccccc3O2)c(-c2nc3ccccc3s2)c1C ZINC000012361204 568509470 /nfs/dbraw/zinc/50/94/70/568509470.db2.gz XGKRJRQRDLNKHA-QGZVFWFLSA-N 0 0 422.531 5.420 50 0 HKAARN COc1cccc(C(=O)Nc2sc(C)c(C)c2-c2nc3ccccc3s2)c1OC ZINC000012361206 568509504 /nfs/dbraw/zinc/50/95/04/568509504.db2.gz YDQSZVDQHUYPEW-UHFFFAOYSA-N 0 0 424.547 5.911 50 0 HKAARN CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000012365013 568509705 /nfs/dbraw/zinc/50/97/05/568509705.db2.gz TUAYFDYEFMNXJQ-DEOSSOPVSA-N 0 0 421.581 7.271 50 0 HKAARN CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 ZINC000012365014 568509724 /nfs/dbraw/zinc/50/97/24/568509724.db2.gz TUAYFDYEFMNXJQ-XMMPIXPASA-N 0 0 421.581 7.271 50 0 HKAARN Brc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 ZINC000012366823 558388508 /nfs/dbraw/zinc/38/85/08/558388508.db2.gz ZWFDWJWIXMUZBE-AUSIDOKSSA-N 0 0 420.375 6.979 50 0 HKAARN Brc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 ZINC000012366824 558388574 /nfs/dbraw/zinc/38/85/74/558388574.db2.gz ZWFDWJWIXMUZBE-WMZHIEFXSA-N 0 0 420.375 6.979 50 0 HKAARN N#C/C(=C/c1ccccc1OCc1c(Cl)cccc1Cl)C(=O)c1cccs1 ZINC000012367192 569381847 /nfs/dbraw/zinc/38/18/47/569381847.db2.gz VUZUMQMUQAKAEI-PTNGSMBKSA-N 0 0 414.313 6.424 50 0 HKAARN CCOC(=O)c1sc(/S(C)=N/C(=O)Nc2ccc(Cl)cc2)c2c1CCC=C2 ZINC000012367203 558388503 /nfs/dbraw/zinc/38/85/03/558388503.db2.gz JOCRUDXWEQHPFV-UHFFFAOYSA-N 0 0 422.959 5.560 50 0 HKAARN CC(=O)Oc1ccccc1/C(=C/C=C(c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000012368079 558388706 /nfs/dbraw/zinc/38/87/06/558388706.db2.gz CCGCELJTKBBTMD-RRAHZORUSA-N 0 0 423.556 6.571 50 0 HKAARN FC(F)(F)c1cc(Oc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1 ZINC000012368180 558388762 /nfs/dbraw/zinc/38/87/62/558388762.db2.gz FDJLPQZXPDIQCD-UHFFFAOYSA-N 0 0 417.774 6.263 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C(F)(F)F)cc1 ZINC000012368232 558388813 /nfs/dbraw/zinc/38/88/13/558388813.db2.gz CGZINFMIUYHWQF-UHFFFAOYSA-N 0 0 417.239 6.388 50 0 HKAARN O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccc(SC(F)(F)F)cc1 ZINC000012368662 558388786 /nfs/dbraw/zinc/38/87/86/558388786.db2.gz HGHDFZQBZPKBLJ-UHFFFAOYSA-N 0 0 412.380 6.554 50 0 HKAARN N=C1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc2ccccc21 ZINC000012368745 558388849 /nfs/dbraw/zinc/38/88/49/558388849.db2.gz AHPQUUTUXBSMGH-UHFFFAOYSA-N 0 0 400.290 5.898 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012368793 569357024 /nfs/dbraw/zinc/35/70/24/569357024.db2.gz LINVVMHRTUSXHL-NRWUNFCISA-N 0 0 400.647 6.712 50 0 HKAARN Clc1ccc(OCc2noc(COc3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000012368830 558388758 /nfs/dbraw/zinc/38/87/58/558388758.db2.gz OSMXVRALUXVMDT-UHFFFAOYSA-N 0 0 420.079 5.841 50 0 HKAARN C[C@@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000012368862 558388817 /nfs/dbraw/zinc/38/88/17/558388817.db2.gz IFRGNNLAIPGIER-LURJTMIESA-N 0 0 416.576 6.059 50 0 HKAARN C[C@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000012368863 558388752 /nfs/dbraw/zinc/38/87/52/558388752.db2.gz IFRGNNLAIPGIER-ZCFIWIBFSA-N 0 0 416.576 6.059 50 0 HKAARN Clc1ccc(C2(c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)c(Cl)c1 ZINC000012369178 558389142 /nfs/dbraw/zinc/38/91/42/558389142.db2.gz IITXXHSJZZABJF-UHFFFAOYSA-N 0 0 415.172 7.504 50 0 HKAARN FC(F)(F)c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000012369179 558389084 /nfs/dbraw/zinc/38/90/84/558389084.db2.gz HEMFXLUXQRHCLQ-UHFFFAOYSA-N 0 0 414.279 7.216 50 0 HKAARN FC(F)(F)c1cc(Cl)c(-c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1 ZINC000012369188 558389080 /nfs/dbraw/zinc/38/90/80/558389080.db2.gz CFDVJUSMGKBXPH-UHFFFAOYSA-N 0 0 408.659 7.456 50 0 HKAARN O=C(NCc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000012369192 558389161 /nfs/dbraw/zinc/38/91/61/558389161.db2.gz KMSBPHZSSBLVCK-UHFFFAOYSA-N 0 0 416.148 5.961 50 0 HKAARN CCN(CC)c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)c1Cl ZINC000012369270 558389094 /nfs/dbraw/zinc/38/90/94/558389094.db2.gz SHLIFDJJOGJCOD-UHFFFAOYSA-N 0 0 414.642 5.058 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)s1 ZINC000012369277 558389031 /nfs/dbraw/zinc/38/90/31/558389031.db2.gz GNMMURBRMAJXFW-UHFFFAOYSA-N 0 0 420.361 7.397 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1)c1cccs1 ZINC000012369290 558389163 /nfs/dbraw/zinc/38/91/63/558389163.db2.gz UFOQTOICHJLKOP-UHFFFAOYSA-N 0 0 420.584 6.698 50 0 HKAARN O=S(=O)(Oc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000012369320 558389146 /nfs/dbraw/zinc/38/91/46/558389146.db2.gz VLVLOQMFDGUKTC-UHFFFAOYSA-N 0 0 421.318 5.040 50 0 HKAARN O=C(NCCSCc1cccc(C(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000012369376 558389148 /nfs/dbraw/zinc/38/91/48/558389148.db2.gz DKJHCOGJDIBAML-UHFFFAOYSA-N 0 0 423.378 5.267 50 0 HKAARN Fc1cccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c1 ZINC000012369445 558389155 /nfs/dbraw/zinc/38/91/55/558389155.db2.gz ZKOLSGGPAAINKP-UHFFFAOYSA-N 0 0 416.399 6.822 50 0 HKAARN Fc1ccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1F ZINC000012369455 558389106 /nfs/dbraw/zinc/38/91/06/558389106.db2.gz VBQAWMGBQJVBAS-UHFFFAOYSA-N 0 0 410.194 7.081 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C3SCCS3)cc2)n1 ZINC000012369465 558389089 /nfs/dbraw/zinc/38/90/89/558389089.db2.gz HOBBQJXSEOUJMX-UHFFFAOYSA-N 0 0 422.600 6.919 50 0 HKAARN COc1ccc(Br)c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000012369491 558389069 /nfs/dbraw/zinc/38/90/69/558389069.db2.gz XSPYMMBTXMKFPD-UHFFFAOYSA-N 0 0 415.165 5.073 50 0 HKAARN Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000012369534 558389136 /nfs/dbraw/zinc/38/91/36/558389136.db2.gz RCBLXSXXOQEFDM-UHFFFAOYSA-N 0 0 421.728 5.692 50 0 HKAARN CC(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000012369679 558389100 /nfs/dbraw/zinc/38/91/00/558389100.db2.gz SASZCAFOFBMEIA-UHFFFAOYSA-N 0 0 405.350 6.416 50 0 HKAARN Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(C)cc1Cl ZINC000012369706 558389110 /nfs/dbraw/zinc/38/91/10/558389110.db2.gz WGRAETQOJVSXAY-UHFFFAOYSA-N 0 0 414.836 6.198 50 0 HKAARN Cc1nc(-c2nc(-c3ccnc(SCc4ccccc4Cl)n3)cs2)cs1 ZINC000012369727 558389220 /nfs/dbraw/zinc/38/92/20/558389220.db2.gz YPIWKGQEDCOUQZ-UHFFFAOYSA-N 0 0 416.984 5.978 50 0 HKAARN O=C(Sc1ccc(Cl)cc1)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 ZINC000012369906 558389244 /nfs/dbraw/zinc/38/92/44/558389244.db2.gz LAXHLTNADHKPJU-UHFFFAOYSA-N 0 0 423.843 5.501 50 0 HKAARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccccc2F)n1 ZINC000012369915 558389197 /nfs/dbraw/zinc/38/91/97/558389197.db2.gz BGBHQFHIAUGVAQ-UHFFFAOYSA-N 0 0 420.296 6.963 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)s2)nc1 ZINC000012369938 558389224 /nfs/dbraw/zinc/38/92/24/558389224.db2.gz ZVUJTFUQJXSEHA-UHFFFAOYSA-N 0 0 422.284 6.218 50 0 HKAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)c1ccc(Cl)cc1 ZINC000012369939 558389246 /nfs/dbraw/zinc/38/92/46/558389246.db2.gz JHZQERNDMJFPFG-UHFFFAOYSA-N 0 0 415.849 5.247 50 0 HKAARN Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(c(-c4cccnc4)c12)CCC3 ZINC000012369952 558389316 /nfs/dbraw/zinc/38/93/16/558389316.db2.gz CRJQATFHRJLHKQ-UHFFFAOYSA-N 0 0 420.925 5.335 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccc2Cl)n1 ZINC000012370099 558389274 /nfs/dbraw/zinc/38/92/74/558389274.db2.gz UPFVMSSJUAEJDB-UHFFFAOYSA-N 0 0 421.736 7.401 50 0 HKAARN COc1ccc(C=O)cc1CN1CCC(Cl)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012371091 558389623 /nfs/dbraw/zinc/38/96/23/558389623.db2.gz RHVLXKZFNXBKRH-UHFFFAOYSA-N 0 0 411.851 5.257 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1F ZINC000012371130 558389538 /nfs/dbraw/zinc/38/95/38/558389538.db2.gz VPDMLBDCTSVKDV-LCUIJRPUSA-N 0 0 404.510 5.839 50 0 HKAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000012371775 558389835 /nfs/dbraw/zinc/38/98/35/558389835.db2.gz HFVUPCLWXWEUON-UHFFFAOYSA-N 0 0 422.484 5.867 50 0 HKAARN CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000012371849 558389848 /nfs/dbraw/zinc/38/98/48/558389848.db2.gz VKHJSCXSYKYORB-QFIPXVFZSA-N 0 0 415.562 5.309 50 0 HKAARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000012371850 558389812 /nfs/dbraw/zinc/38/98/12/558389812.db2.gz VKHJSCXSYKYORB-JOCHJYFZSA-N 0 0 415.562 5.309 50 0 HKAARN Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000012372385 558390035 /nfs/dbraw/zinc/39/00/35/558390035.db2.gz SIAWDLYVXOHSSE-UHFFFAOYSA-N 0 0 407.598 6.002 50 0 HKAARN Cc1c(Cl)cc2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)oc2c1Cl ZINC000012372429 558390090 /nfs/dbraw/zinc/39/00/90/558390090.db2.gz WEBBZKWCGGUXTF-NSHDSACASA-N 0 0 406.334 6.295 50 0 HKAARN Cc1c(Cl)cc2nc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)oc2c1Cl ZINC000012372430 558390067 /nfs/dbraw/zinc/39/00/67/558390067.db2.gz WEBBZKWCGGUXTF-LLVKDONJSA-N 0 0 406.334 6.295 50 0 HKAARN Cc1c(F)cccc1NC(=O)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000012372494 558390045 /nfs/dbraw/zinc/39/00/45/558390045.db2.gz FNZRFMROOCIKFJ-UHFFFAOYSA-N 0 0 420.871 5.612 50 0 HKAARN Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 ZINC000012372519 558390048 /nfs/dbraw/zinc/39/00/48/558390048.db2.gz IHQMIZWSADQYOU-UHFFFAOYSA-N 0 0 405.328 5.380 50 0 HKAARN Cc1c(C)n(CCc2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012372566 558389997 /nfs/dbraw/zinc/38/99/97/558389997.db2.gz IDYLEKWPPHSMMD-UHFFFAOYSA-N 0 0 423.365 5.069 50 0 HKAARN CC(=O)c1cc(CN2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 ZINC000012373593 558390807 /nfs/dbraw/zinc/39/08/07/558390807.db2.gz RJPPMDINBWDDHS-UHFFFAOYSA-N 0 0 422.953 5.374 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(Br)cc3)c3cc(O)ccc3o2)cc1 ZINC000012374168 558391407 /nfs/dbraw/zinc/39/14/07/558391407.db2.gz CQYKPKLKNXNBDG-HIXSDJFHSA-N 0 0 422.278 5.809 50 0 biogenic HKAARN COc1ccc(-c2c/c(=N\c3cccc(C(F)(F)F)c3)c3cc(O)ccc3o2)cc1 ZINC000012374169 568519313 /nfs/dbraw/zinc/51/93/13/568519313.db2.gz URVBKEPVDHABLL-NHFJDJAPSA-N 0 0 411.379 6.065 50 0 HKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N4CCCC4)cc3)c2c1 ZINC000012374230 568519670 /nfs/dbraw/zinc/51/96/70/568519670.db2.gz KLRLGKUIUUZWKC-SLEBQGDGSA-N 0 0 400.909 6.586 50 0 HKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3nc(-c4ccccc4)cs3)c2c1 ZINC000012374233 568519802 /nfs/dbraw/zinc/51/98/02/568519802.db2.gz XKQFACJLQLOMNL-LHLOQNFPSA-N 0 0 414.917 7.109 50 0 HKAARN Cc1cccc(N2C(=O)C(Cl)=C(NC3CCCCCCCCCCC3)C2=O)c1C ZINC000012374241 568527421 /nfs/dbraw/zinc/52/74/21/568527421.db2.gz VLYCTHLCZKLCBF-UHFFFAOYSA-N 0 0 416.993 5.890 50 0 HKAARN COc1ccc(N2C(=O)C(Cl)=C(NC3CCCCCCCCCCC3)C2=O)cc1 ZINC000012374242 568527409 /nfs/dbraw/zinc/52/74/09/568527409.db2.gz DFSXXDYUJWXGTH-UHFFFAOYSA-N 0 0 418.965 5.282 50 0 HKAARN CC(C)(C)c1ccc(-c2c/c(=N\Nc3ccccc3)c3cc(Cl)ccc3o2)cc1 ZINC000012374272 568526309 /nfs/dbraw/zinc/52/63/09/568526309.db2.gz ZUHKRGSWPJAKKM-XAYXJRQQSA-N 0 0 402.925 6.979 50 0 HKAARN Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N/c3ccc(Br)cc3)c2c1 ZINC000012374313 568526390 /nfs/dbraw/zinc/52/63/90/568526390.db2.gz RONJHEFDZJOYMJ-QQTULTPQSA-N 0 0 424.725 7.057 50 0 HKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2NCc2ccccn2)c1-c1ccccc1 ZINC000012374424 558391385 /nfs/dbraw/zinc/39/13/85/558391385.db2.gz OKTNECLYFJQXJA-UHFFFAOYSA-N 0 0 419.532 5.611 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000012374583 558391389 /nfs/dbraw/zinc/39/13/89/558391389.db2.gz FNGBRYAGRVPKBR-HDICACEKSA-N 0 0 421.328 5.248 50 0 HKAARN Clc1cc(Cl)c(OCc2nc(-c3ccc(Br)o3)no2)cc1Cl ZINC000012374944 558391495 /nfs/dbraw/zinc/39/14/95/558391495.db2.gz WXTOXUANCSCWRK-UHFFFAOYSA-N 0 0 424.465 5.631 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)Nc1nc(SCc2ccc(F)cc2)ns1 ZINC000012375270 558391605 /nfs/dbraw/zinc/39/16/05/558391605.db2.gz DEORNJALMGFFHN-JXMROGBWSA-N 0 0 405.907 5.275 50 0 HKAARN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1F ZINC000012375367 558391512 /nfs/dbraw/zinc/39/15/12/558391512.db2.gz GELLRLJMABWDBG-UHFFFAOYSA-N 0 0 417.292 6.662 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000012375388 558391555 /nfs/dbraw/zinc/39/15/55/558391555.db2.gz ICQUVZKKFJCGPR-UHFFFAOYSA-N 0 0 418.802 5.863 50 0 HKAARN O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccccc1C(F)(F)F ZINC000012375408 558391546 /nfs/dbraw/zinc/39/15/46/558391546.db2.gz FTLOGQBQEHDNBG-UHFFFAOYSA-N 0 0 424.216 5.639 50 0 HKAARN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000012375792 568538121 /nfs/dbraw/zinc/53/81/21/568538121.db2.gz VLTZRKJEGGIZHK-XFXZXTDPSA-N 0 0 409.272 6.454 50 0 HKAARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000012375807 568538119 /nfs/dbraw/zinc/53/81/19/568538119.db2.gz XTRPYSJRQXCPKZ-YNUQAMOLSA-N 0 0 400.906 6.026 50 0 HKAARN O=C(NCCSC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 ZINC000012376008 558391901 /nfs/dbraw/zinc/39/19/01/558391901.db2.gz WXHWLTPTZBKOBR-UHFFFAOYSA-N 0 0 405.607 5.637 50 0 HKAARN O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1(c2ccccc2)CC1 ZINC000012376036 558391889 /nfs/dbraw/zinc/39/18/89/558391889.db2.gz WOESRXRTRCIDSS-UHFFFAOYSA-N 0 0 414.549 5.512 50 0 HKAARN O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)C1(c2ccccc2)CC1 ZINC000012376038 558391849 /nfs/dbraw/zinc/39/18/49/558391849.db2.gz DRKJWKWEAJZVFX-UHFFFAOYSA-N 0 0 414.549 5.512 50 0 HKAARN O=C(Cc1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012376212 558392162 /nfs/dbraw/zinc/39/21/62/558392162.db2.gz WFBWIOVACOYJGI-UHFFFAOYSA-N 0 0 424.287 5.892 50 0 HKAARN O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000012376537 568545344 /nfs/dbraw/zinc/54/53/44/568545344.db2.gz KGRNITCXNPDLHB-UHFFFAOYSA-N 0 0 410.311 5.713 50 0 HKAARN O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012376538 568545458 /nfs/dbraw/zinc/54/54/58/568545458.db2.gz AMDJWLCKPFDBBU-UHFFFAOYSA-N 0 0 407.513 6.618 50 0 HKAARN Clc1ccc(/C=C/c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(Cl)c1 ZINC000012376542 558392166 /nfs/dbraw/zinc/39/21/66/558392166.db2.gz AYRJRACDFVYBCH-UKTHLTGXSA-N 0 0 423.299 6.793 50 0 HKAARN c1ccc(CO[C@@H](c2nc3ccccc3n2Cc2ccccc2)c2ccccc2)cc1 ZINC000012376627 558392130 /nfs/dbraw/zinc/39/21/30/558392130.db2.gz NLMHLSPUKKDDNP-HHHXNRCGSA-N 0 0 404.513 6.391 50 0 HKAARN c1ccc(CO[C@H](c2nc3ccccc3n2Cc2ccccc2)c2ccccc2)cc1 ZINC000012376628 558392185 /nfs/dbraw/zinc/39/21/85/558392185.db2.gz NLMHLSPUKKDDNP-MHZLTWQESA-N 0 0 404.513 6.391 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000012376874 558392299 /nfs/dbraw/zinc/39/22/99/558392299.db2.gz LMCRXJVONPQBGR-UHFFFAOYSA-N 0 0 409.272 5.963 50 0 HKAARN Fc1ccc(COc2cccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2)cc1 ZINC000012376913 568545588 /nfs/dbraw/zinc/54/55/88/568545588.db2.gz PKTNJQBATOIYGW-UHFFFAOYSA-N 0 0 420.487 7.129 50 0 HKAARN c1s/c(=N\c2ccccn2)n(-c2ccccc2)c1-c1ccc(-c2ccccc2)cc1 ZINC000012376978 558392306 /nfs/dbraw/zinc/39/23/06/558392306.db2.gz NVJLBYAGOOWSPZ-SGEDCAFJSA-N 0 0 405.526 6.500 50 0 HKAARN O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000012376985 558392333 /nfs/dbraw/zinc/39/23/33/558392333.db2.gz GGKJSAOTKGUNNR-UHFFFAOYSA-N 0 0 416.933 6.806 50 0 HKAARN OCCCCn1c(-c2ccccc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000012376994 558392232 /nfs/dbraw/zinc/39/22/32/558392232.db2.gz VVIDNRFFRZCFEU-UHFFFAOYSA-N 0 0 407.517 5.909 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000012377037 558392329 /nfs/dbraw/zinc/39/23/29/558392329.db2.gz SIPVBYMJLGMRDL-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1 ZINC000012377041 558392359 /nfs/dbraw/zinc/39/23/59/558392359.db2.gz CWVMIUGXCGEDBZ-UHFFFAOYSA-N 0 0 410.227 5.011 50 0 HKAARN Oc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000012377108 558392296 /nfs/dbraw/zinc/39/22/96/558392296.db2.gz USAGZKFVTHEPMM-UHFFFAOYSA-N 0 0 421.953 5.704 50 0 HKAARN c1coc(-c2nnc(SCc3csc(C4CCCCC4)n3)n2-c2ccccc2)c1 ZINC000012377114 558392271 /nfs/dbraw/zinc/39/22/71/558392271.db2.gz WAACTSHGSOWSDM-UHFFFAOYSA-N 0 0 422.579 6.324 50 0 HKAARN O=C(Nc1cccc(CCc2ccccn2)c1)C1c2ccccc2Oc2ccccc21 ZINC000012377283 558392361 /nfs/dbraw/zinc/39/23/61/558392361.db2.gz FWGVYVGQHVLZNV-UHFFFAOYSA-N 0 0 406.485 5.743 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1 ZINC000012377471 558392551 /nfs/dbraw/zinc/39/25/51/558392551.db2.gz HLXJXDJJXIMIAB-NRFANRHFSA-N 0 0 412.514 6.103 50 0 aggregator HKAARN COc1ccccc1[C@H]1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1 ZINC000012377472 558392572 /nfs/dbraw/zinc/39/25/72/558392572.db2.gz HLXJXDJJXIMIAB-OAQYLSRUSA-N 0 0 412.514 6.103 50 0 aggregator HKAARN COc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000012377778 558392614 /nfs/dbraw/zinc/39/26/14/558392614.db2.gz YVVMNHUCUYELTJ-UHFFFAOYSA-N 0 0 422.912 5.746 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000012377782 558392606 /nfs/dbraw/zinc/39/26/06/558392606.db2.gz PCPMFNMAKCRLIP-UHFFFAOYSA-N 0 0 404.941 6.749 50 0 HKAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1 ZINC000012377808 568552266 /nfs/dbraw/zinc/55/22/66/568552266.db2.gz GBVCEPAFFBNJKS-NXVVXOECSA-N 0 0 407.517 5.718 50 0 HKAARN CC(C)OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000012377810 568552303 /nfs/dbraw/zinc/55/23/03/568552303.db2.gz DTCGTJMARQVTDK-QXMHVHEDSA-N 0 0 411.299 5.267 50 0 HKAARN Clc1ccc(Cn2ncc3c2ncnc3NCc2ccc(Cl)cc2Cl)cc1 ZINC000012377812 568552258 /nfs/dbraw/zinc/55/22/58/568552258.db2.gz GNVVDGQHISHVTK-UHFFFAOYSA-N 0 0 418.715 5.447 50 0 HKAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000012377824 568552395 /nfs/dbraw/zinc/55/23/95/568552395.db2.gz DHFTXTSTQGQOOY-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN CCOc1cccc2s/c(=N/C(=O)c3cccc(Oc4ccccc4)c3)n(CC)c21 ZINC000012378121 568552643 /nfs/dbraw/zinc/55/26/43/568552643.db2.gz KGZLVKSSIXUKIK-OCOZRVBESA-N 0 0 418.518 5.655 50 0 HKAARN Cc1cc2sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)nc2c(C)c1 ZINC000012378201 568552282 /nfs/dbraw/zinc/55/22/82/568552282.db2.gz LTSFMULNEBPYMT-UHFFFAOYSA-N 0 0 421.572 6.504 50 0 HKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000012378202 568552394 /nfs/dbraw/zinc/55/23/94/568552394.db2.gz FHWAEGSKTLQMLM-UHFFFAOYSA-N 0 0 411.508 6.026 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000012378203 569400745 /nfs/dbraw/zinc/40/07/45/569400745.db2.gz AMKVACRYUREKCA-UHFFFAOYSA-N 0 0 419.556 6.401 50 0 HKAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000012378207 568551262 /nfs/dbraw/zinc/55/12/62/568551262.db2.gz KNMZMLSQWXQQPF-UHFFFAOYSA-N 0 0 419.487 5.122 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000012378327 558392767 /nfs/dbraw/zinc/39/27/67/558392767.db2.gz ZHOGVBYMPOHIFC-UHFFFAOYSA-N 0 0 404.941 6.615 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000012378329 558392746 /nfs/dbraw/zinc/39/27/46/558392746.db2.gz PCVWJRDBOJYZRD-UHFFFAOYSA-N 0 0 404.941 6.615 50 0 HKAARN COc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000012378331 558392750 /nfs/dbraw/zinc/39/27/50/558392750.db2.gz UJLRJOJUHFTLLA-UHFFFAOYSA-N 0 0 400.522 5.970 50 0 HKAARN CC(C)c1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000012378332 558392787 /nfs/dbraw/zinc/39/27/87/558392787.db2.gz USMAOAJELJPKIW-UHFFFAOYSA-N 0 0 412.577 7.085 50 0 HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000012379277 569356978 /nfs/dbraw/zinc/35/69/78/569356978.db2.gz XGZQDBRFMPJPBO-OJUPHLMNSA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000012379279 569357033 /nfs/dbraw/zinc/35/70/33/569357033.db2.gz XGZQDBRFMPJPBO-TXLJJDLMSA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000012379285 569357045 /nfs/dbraw/zinc/35/70/45/569357045.db2.gz HONOKMUVEQPOAM-OJUPHLMNSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000012379287 569357101 /nfs/dbraw/zinc/35/71/01/569357101.db2.gz HONOKMUVEQPOAM-TXLJJDLMSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN COc1cc(NC(=O)[C@H](C)Oc2ccccc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000012380751 558393049 /nfs/dbraw/zinc/39/30/49/558393049.db2.gz LGKKKMVWYZSOQQ-HNNXBMFYSA-N 0 0 424.884 5.007 50 0 HKAARN COc1cc(NC(=O)[C@@H](C)Oc2ccccc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000012380752 558393089 /nfs/dbraw/zinc/39/30/89/558393089.db2.gz LGKKKMVWYZSOQQ-OAHLLOKOSA-N 0 0 424.884 5.007 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012380824 558393159 /nfs/dbraw/zinc/39/31/59/558393159.db2.gz GSNFFYCTAVZTDH-QMMMGPOBSA-N 0 0 412.622 6.072 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012380825 558393134 /nfs/dbraw/zinc/39/31/34/558393134.db2.gz GSNFFYCTAVZTDH-MRVPVSSYSA-N 0 0 412.622 6.072 50 0 HKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012380914 558393070 /nfs/dbraw/zinc/39/30/70/558393070.db2.gz XWOMOZDSUZRXDM-INIZCTEOSA-N 0 0 424.953 5.389 50 0 HKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012380915 558393117 /nfs/dbraw/zinc/39/31/17/558393117.db2.gz XWOMOZDSUZRXDM-MRXNPFEDSA-N 0 0 424.953 5.389 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000012381194 558393318 /nfs/dbraw/zinc/39/33/18/558393318.db2.gz FLBVHTGZUXMDRF-UHFFFAOYSA-N 0 0 422.937 6.413 50 0 HKAARN CN(C)C1(c2nnnn2[C@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000012381212 568608005 /nfs/dbraw/zinc/60/80/05/568608005.db2.gz HMFZJGNSWBAPTK-LECLMCCNSA-N 0 0 422.404 5.611 50 0 HKAARN CN(C)C1(c2nnnn2[C@@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000012381213 568607996 /nfs/dbraw/zinc/60/79/96/568607996.db2.gz HMFZJGNSWBAPTK-FYGXRCCRSA-N 0 0 422.404 5.611 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=C[C@@](O)(C(C)(C)C)[C@@H]2C(=O)C(C)(C)C)cc1 ZINC000012381224 558393331 /nfs/dbraw/zinc/39/33/31/558393331.db2.gz BLCORHYSCGUWJY-QONNDPFASA-N 0 0 420.593 6.275 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=C[C@@](O)(C(C)(C)C)[C@H]2C(=O)C(C)(C)C)cc1 ZINC000012381225 569356974 /nfs/dbraw/zinc/35/69/74/569356974.db2.gz BLCORHYSCGUWJY-JPYHZWLXSA-N 0 0 420.593 6.275 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000012381322 558393559 /nfs/dbraw/zinc/39/35/59/558393559.db2.gz PTDHZXFNRDTSEZ-UHFFFAOYSA-N 0 0 420.250 5.084 50 0 HKAARN CC(C)(C)c1cc(-n2c3ccc(Cl)cc3nc2-c2ccco2)cc(C(C)(C)C)c1O ZINC000012381554 558393529 /nfs/dbraw/zinc/39/35/29/558393529.db2.gz XJPPCNNYUKNDRF-UHFFFAOYSA-N 0 0 422.956 7.240 50 0 HKAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@H]2CC=CCC2)cc1 ZINC000012381729 558393572 /nfs/dbraw/zinc/39/35/72/558393572.db2.gz UNDQUGIVFLCGRH-PZJWPPBQSA-N 0 0 404.554 5.597 50 0 HKAARN CC(C)(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H]2CC=CCC2)cc1 ZINC000012381730 558393505 /nfs/dbraw/zinc/39/35/05/558393505.db2.gz UNDQUGIVFLCGRH-FPOVZHCZSA-N 0 0 404.554 5.597 50 0 HKAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H]2CC=CCC2)cc1 ZINC000012381731 558393490 /nfs/dbraw/zinc/39/34/90/558393490.db2.gz UNDQUGIVFLCGRH-TZIWHRDSSA-N 0 0 404.554 5.597 50 0 HKAARN CC(C)(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H]2CC=CCC2)cc1 ZINC000012381732 558393587 /nfs/dbraw/zinc/39/35/87/558393587.db2.gz UNDQUGIVFLCGRH-CTNGQTDRSA-N 0 0 404.554 5.597 50 0 HKAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012382246 558393637 /nfs/dbraw/zinc/39/36/37/558393637.db2.gz HXRHKNNAHAAFFC-MRXNPFEDSA-N 0 0 415.459 5.622 50 0 HKAARN CC(C)CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012382247 558393565 /nfs/dbraw/zinc/39/35/65/558393565.db2.gz HXRHKNNAHAAFFC-INIZCTEOSA-N 0 0 415.459 5.622 50 0 HKAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000012383861 560780022 /nfs/dbraw/zinc/78/00/22/560780022.db2.gz SHYFJJBCHMDBQC-SFHVURJKSA-N 0 0 413.546 5.713 50 0 HKAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000012383862 560780082 /nfs/dbraw/zinc/78/00/82/560780082.db2.gz SHYFJJBCHMDBQC-GOSISDBHSA-N 0 0 413.546 5.713 50 0 HKAARN C[C@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)c1ccco1 ZINC000012384142 558393810 /nfs/dbraw/zinc/39/38/10/558393810.db2.gz GSVOTNZTSXDSKF-FDJWOJMMSA-N 0 0 422.436 5.208 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000012384993 534779496 /nfs/dbraw/zinc/77/94/96/534779496.db2.gz VVLNDNHZGBIEPT-DPQOWFAMSA-N 0 0 414.505 5.269 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000012384994 534779821 /nfs/dbraw/zinc/77/98/21/534779821.db2.gz VVLNDNHZGBIEPT-WYRQLCSISA-N 0 0 414.505 5.269 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000012384995 534779932 /nfs/dbraw/zinc/77/99/32/534779932.db2.gz VVLNDNHZGBIEPT-MQVPCNEGSA-N 0 0 414.505 5.269 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000012384996 534779580 /nfs/dbraw/zinc/77/95/80/534779580.db2.gz VVLNDNHZGBIEPT-UODBTFMRSA-N 0 0 414.505 5.269 50 0 HKAARN C[C@H](c1ccon1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385296 558394216 /nfs/dbraw/zinc/39/42/16/558394216.db2.gz KFENEJSDIYTKHE-GOSISDBHSA-N 0 0 412.493 5.526 50 0 HKAARN C[C@@H](c1ccon1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012385297 558394170 /nfs/dbraw/zinc/39/41/70/558394170.db2.gz KFENEJSDIYTKHE-SFHVURJKSA-N 0 0 412.493 5.526 50 0 HKAARN CCc1cc(CNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)on1 ZINC000012385504 558394520 /nfs/dbraw/zinc/39/45/20/558394520.db2.gz IFGLHPARKPEAAR-UHFFFAOYSA-N 0 0 412.493 5.185 50 0 HKAARN CC(C)CCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000012386215 558394964 /nfs/dbraw/zinc/39/49/64/558394964.db2.gz GKDAYOBRUCQUSH-UHFFFAOYSA-N 0 0 419.525 5.108 50 0 HKAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012386499 558395335 /nfs/dbraw/zinc/39/53/35/558395335.db2.gz NORHRGBEBFFLNW-LJQANCHMSA-N 0 0 403.526 5.058 50 0 HKAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012386500 558395373 /nfs/dbraw/zinc/39/53/73/558395373.db2.gz NORHRGBEBFFLNW-IBGZPJMESA-N 0 0 403.526 5.058 50 0 HKAARN Cc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012386698 558395562 /nfs/dbraw/zinc/39/55/62/558395562.db2.gz MQGICBWQUNYWHC-FQEVSTJZSA-N 0 0 410.533 5.033 50 0 HKAARN Cc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012386699 558395605 /nfs/dbraw/zinc/39/56/05/558395605.db2.gz MQGICBWQUNYWHC-HXUWFJFHSA-N 0 0 410.533 5.033 50 0 HKAARN COc1ccc(-c2nc(CN3CCC(Oc4ccc(C)cc4)CC3)c(C)o2)cc1C ZINC000012386961 558395906 /nfs/dbraw/zinc/39/59/06/558395906.db2.gz FUFWXLAVUZLSEK-UHFFFAOYSA-N 0 0 406.526 5.319 50 0 HKAARN Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C1CC1 ZINC000012387550 558396412 /nfs/dbraw/zinc/39/64/12/558396412.db2.gz JXLIQTRERGYDFR-UHFFFAOYSA-N 0 0 418.463 5.184 50 0 HKAARN O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccccc1Br ZINC000012388894 568683442 /nfs/dbraw/zinc/68/34/42/568683442.db2.gz PGPIQPRKYFTGOD-UHFFFAOYSA-N 0 0 420.262 5.679 50 0 HKAARN C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000012389030 568685363 /nfs/dbraw/zinc/68/53/63/568685363.db2.gz PVQRTODVOFEVPR-CQSZACIVSA-N 0 0 402.296 6.219 50 0 HKAARN C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000012389031 568685753 /nfs/dbraw/zinc/68/57/53/568685753.db2.gz PVQRTODVOFEVPR-AWEZNQCLSA-N 0 0 402.296 6.219 50 0 HKAARN COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1Cl ZINC000012390293 568694731 /nfs/dbraw/zinc/69/47/31/568694731.db2.gz CDRHLEZFHXGFTK-UHFFFAOYSA-N 0 0 406.866 5.181 50 0 HKAARN O=C(CCS[C@@H]1CCc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000012390435 568694639 /nfs/dbraw/zinc/69/46/39/568694639.db2.gz SEEFFJDPERGMBA-QGZVFWFLSA-N 0 0 409.338 5.009 50 0 HKAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000012390436 568694684 /nfs/dbraw/zinc/69/46/84/568694684.db2.gz SEEFFJDPERGMBA-KRWDZBQOSA-N 0 0 409.338 5.009 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000012390523 568694976 /nfs/dbraw/zinc/69/49/76/568694976.db2.gz GWLPXWJIBHRPNY-UHFFFAOYSA-N 0 0 409.482 5.080 50 0 HKAARN C[C@@H](CCc1ccco1)NC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000012391146 568695596 /nfs/dbraw/zinc/69/55/96/568695596.db2.gz JRMGJAIGCVXLMF-LBPRGKRZSA-N 0 0 409.338 5.390 50 0 HKAARN C[C@H](CCc1ccco1)NC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000012391147 568695582 /nfs/dbraw/zinc/69/55/82/568695582.db2.gz JRMGJAIGCVXLMF-GFCCVEGCSA-N 0 0 409.338 5.390 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1ccccc1F ZINC000012391224 568695884 /nfs/dbraw/zinc/69/58/84/568695884.db2.gz FQNSUAIIPDWNST-UHFFFAOYSA-N 0 0 409.482 5.080 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc1 ZINC000012391480 568696018 /nfs/dbraw/zinc/69/60/18/568696018.db2.gz DSXKPDJVSBBBQG-QRWLVFNGSA-N 0 0 420.538 5.049 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc1 ZINC000012391481 568696137 /nfs/dbraw/zinc/69/61/37/568696137.db2.gz DSXKPDJVSBBBQG-YWZLYKJASA-N 0 0 420.538 5.049 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)cc1 ZINC000012391482 568696151 /nfs/dbraw/zinc/69/61/51/568696151.db2.gz DSXKPDJVSBBBQG-FOIQADDNSA-N 0 0 420.538 5.049 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)cc1 ZINC000012391483 568696001 /nfs/dbraw/zinc/69/60/01/568696001.db2.gz DSXKPDJVSBBBQG-MGPUTAFESA-N 0 0 420.538 5.049 50 0 HKAARN c1csc(-c2cc(-c3nn4c(nnc4-c4cccnc4)s3)c3ccccc3n2)c1 ZINC000012391813 558396979 /nfs/dbraw/zinc/39/69/79/558396979.db2.gz VCBXKTMHQOUTLU-UHFFFAOYSA-N 0 0 412.503 5.192 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2sc(-c3c(Cl)cccc3Cl)nc2C)c1 ZINC000012391824 568695892 /nfs/dbraw/zinc/69/58/92/568695892.db2.gz NVBHCZZVFZNFAN-UHFFFAOYSA-N 0 0 420.321 5.636 50 0 HKAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396039 558397202 /nfs/dbraw/zinc/39/72/02/558397202.db2.gz BEMYQSPUCMTIHN-UHFFFAOYSA-N 0 0 401.441 5.199 50 0 HKAARN Cc1nc(-c2ccc(CCNC(=O)Cc3c(C)nc4ccccc4c3C)s2)cs1 ZINC000012396456 568697694 /nfs/dbraw/zinc/69/76/94/568697694.db2.gz LBFKPDSDGPVDSB-UHFFFAOYSA-N 0 0 421.591 5.246 50 0 HKAARN COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012397213 568697979 /nfs/dbraw/zinc/69/79/79/568697979.db2.gz MOKJDCUCMGUQTB-UHFFFAOYSA-N 0 0 405.404 5.030 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(CC)cc1)cc2C(F)(F)F ZINC000012397259 568698500 /nfs/dbraw/zinc/69/85/00/568698500.db2.gz NWADPKCPJPCSBD-UHFFFAOYSA-N 0 0 417.431 5.120 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NCCOc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000012401065 558397194 /nfs/dbraw/zinc/39/71/94/558397194.db2.gz ZYSXAQFXJWYELW-UHFFFAOYSA-N 0 0 415.577 6.119 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000012401115 558397256 /nfs/dbraw/zinc/39/72/56/558397256.db2.gz MESKMCKMWBIAIT-UHFFFAOYSA-N 0 0 420.556 7.114 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000012401117 558397180 /nfs/dbraw/zinc/39/71/80/558397180.db2.gz ZMHYQVRPTFLXQN-UHFFFAOYSA-N 0 0 420.556 7.114 50 0 HKAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 ZINC000012401125 568700145 /nfs/dbraw/zinc/70/01/45/568700145.db2.gz RDZFWEOBCIDNTH-UHFFFAOYSA-N 0 0 424.518 5.109 50 0 HKAARN CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C ZINC000012401261 558397225 /nfs/dbraw/zinc/39/72/25/558397225.db2.gz DASMUCALWSLXOE-CTNGQTDRSA-N 0 0 421.459 6.054 50 0 HKAARN CC(C)[C@H]1O[C@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C ZINC000012401263 558397297 /nfs/dbraw/zinc/39/72/97/558397297.db2.gz DASMUCALWSLXOE-TZIWHRDSSA-N 0 0 421.459 6.054 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCCn2c3ccccc3c3ccccc32)cc1 ZINC000012401508 558397294 /nfs/dbraw/zinc/39/72/94/558397294.db2.gz KQHRAVXKHPQOHI-OAQYLSRUSA-N 0 0 412.577 6.303 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)NCCCn2c3ccccc3c3ccccc32)cc1 ZINC000012401510 558397458 /nfs/dbraw/zinc/39/74/58/558397458.db2.gz KQHRAVXKHPQOHI-NRFANRHFSA-N 0 0 412.577 6.303 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)(C)C)cc1 ZINC000012401520 132359458 /nfs/dbraw/zinc/35/94/58/132359458.db2.gz SSMZQOWWFBTUJK-LJQANCHMSA-N 0 0 420.597 5.953 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)(C)C)cc1 ZINC000012401522 132359443 /nfs/dbraw/zinc/35/94/43/132359443.db2.gz SSMZQOWWFBTUJK-IBGZPJMESA-N 0 0 420.597 5.953 50 0 HKAARN CC(C)Cn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000012401546 558397452 /nfs/dbraw/zinc/39/74/52/558397452.db2.gz FTYIAVNWQCUIKG-PLRJNAJWSA-N 0 0 410.892 6.777 50 0 HKAARN CC(C)c1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 ZINC000012401734 558397608 /nfs/dbraw/zinc/39/76/08/558397608.db2.gz STKUYGAIWROXEA-UHFFFAOYSA-N 0 0 406.529 6.940 50 0 HKAARN CC(C)c1ccc(Cn2c(COc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000012401735 558397602 /nfs/dbraw/zinc/39/76/02/558397602.db2.gz PNWFFYVYDAWKKD-UHFFFAOYSA-N 0 0 406.529 6.940 50 0 HKAARN CC(C)c1ccc(Cn2c3ccccc3nc2-c2cccc(Br)c2)cc1 ZINC000012401737 558397557 /nfs/dbraw/zinc/39/75/57/558397557.db2.gz DHNAHMAPFYLBPB-UHFFFAOYSA-N 0 0 405.339 6.638 50 0 HKAARN COc1cccc(CCC(=O)N[C@@H](C)Cc2ccc3oc4ccccc4c3c2)c1OC ZINC000012401831 558397554 /nfs/dbraw/zinc/39/75/54/558397554.db2.gz VVYCAAHPOPWYCZ-KRWDZBQOSA-N 0 0 417.505 5.283 50 0 HKAARN COc1cccc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)c1OC ZINC000012401832 558397434 /nfs/dbraw/zinc/39/74/34/558397434.db2.gz VVYCAAHPOPWYCZ-QGZVFWFLSA-N 0 0 417.505 5.283 50 0 HKAARN C[C@H](NC(=O)NC1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 ZINC000012401860 558397486 /nfs/dbraw/zinc/39/74/86/558397486.db2.gz AKYBWSDYRSHGHI-AWEZNQCLSA-N 0 0 423.310 5.705 50 0 HKAARN C[C@@H](NC(=O)NC1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 ZINC000012401861 558397543 /nfs/dbraw/zinc/39/75/43/558397543.db2.gz AKYBWSDYRSHGHI-CQSZACIVSA-N 0 0 423.310 5.705 50 0 HKAARN C[C@H](NC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000012401938 568704912 /nfs/dbraw/zinc/70/49/12/568704912.db2.gz HMWLFBYVOJPLTH-KRWDZBQOSA-N 0 0 406.913 5.516 50 0 HKAARN C[C@@H](NC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000012401939 568704915 /nfs/dbraw/zinc/70/49/15/568704915.db2.gz HMWLFBYVOJPLTH-QGZVFWFLSA-N 0 0 406.913 5.516 50 0 HKAARN C[C@@H](c1ccccc1)n1c2ccc(Cl)cc2nc1SCC(=O)c1ccccn1 ZINC000012401953 558397576 /nfs/dbraw/zinc/39/75/76/558397576.db2.gz KWRROBQKFURBFE-HNNXBMFYSA-N 0 0 407.926 5.669 50 0 HKAARN C[C@H](c1ccccc1)n1c2ccc(Cl)cc2nc1SCC(=O)c1ccccn1 ZINC000012401954 558397547 /nfs/dbraw/zinc/39/75/47/558397547.db2.gz KWRROBQKFURBFE-OAHLLOKOSA-N 0 0 407.926 5.669 50 0 HKAARN COc1ccc(Cl)cc1N(C(=O)Nc1cccc(Cl)c1)C1=NCC(C)(C)S1 ZINC000012402433 558397461 /nfs/dbraw/zinc/39/74/61/558397461.db2.gz FDJOPFWKAOESOC-UHFFFAOYSA-N 0 0 424.353 5.922 50 0 HKAARN CC1(C)CN=C(N(C(=O)Nc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)S1 ZINC000012402435 568710044 /nfs/dbraw/zinc/71/00/44/568710044.db2.gz AGBJNEUSNYLGNX-UHFFFAOYSA-N 0 0 411.424 5.764 50 0 HKAARN COc1ccc(C=C[C@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000012402527 568710142 /nfs/dbraw/zinc/71/01/42/568710142.db2.gz LRFINWKNLJRYBV-SFPUGHMZSA-N 0 0 424.544 5.245 50 0 HKAARN C[C@]12CC3CC(CC(=O)Nc4ccc(C(=O)c5cccs5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000012402570 558397569 /nfs/dbraw/zinc/39/75/69/558397569.db2.gz WHPZEYUVPOXVOA-FXOOJFCESA-N 0 0 407.579 6.304 50 0 HKAARN COC(=O)N1CCCc2cc(NC(=O)CC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)ccc21 ZINC000012402574 536426374 /nfs/dbraw/zinc/42/63/74/536426374.db2.gz KXTKHVFTXXIWNP-FXOOJFCESA-N 0 0 410.558 5.531 50 0 HKAARN C[C@]12CC3CC(CC(=O)Nc4ccc5[nH]c(C(F)(F)F)nc5c4)(C1)C[C@@](C)(C3)C2 ZINC000012402578 558397581 /nfs/dbraw/zinc/39/75/81/558397581.db2.gz DYFRVEYNBAYUKF-SWOGZVPRSA-N 0 0 405.464 5.907 50 0 HKAARN CCOc1ccc(Br)cc1C(=O)Oc1ccc(C)cc1Br ZINC000012404279 558397782 /nfs/dbraw/zinc/39/77/82/558397782.db2.gz KRUSARUWRSOCMG-UHFFFAOYSA-N 0 0 414.093 5.138 50 0 HKAARN COc1cc(Nc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc(OC)c1 ZINC000012406691 522765907 /nfs/dbraw/zinc/76/59/07/522765907.db2.gz WLWWCBYDZTYWJF-UHFFFAOYSA-N 0 0 406.869 5.609 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000012406960 568711699 /nfs/dbraw/zinc/71/16/99/568711699.db2.gz XLSQEZWWBRKIAN-UHFFFAOYSA-N 0 0 409.482 5.080 50 0 HKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2o1 ZINC000012407674 568711886 /nfs/dbraw/zinc/71/18/86/568711886.db2.gz ODWYQRLRYNTXQX-UHFFFAOYSA-N 0 0 411.413 5.467 50 0 HKAARN Cc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccccc1OC(F)(F)F)CC3=O ZINC000012408071 558399147 /nfs/dbraw/zinc/39/91/47/558399147.db2.gz QOSAJPNBFDVQAF-OAHLLOKOSA-N 0 0 404.340 5.015 50 0 HKAARN Cc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccccc1OC(F)(F)F)CC3=O ZINC000012408073 558399123 /nfs/dbraw/zinc/39/91/23/558399123.db2.gz QOSAJPNBFDVQAF-HNNXBMFYSA-N 0 0 404.340 5.015 50 0 HKAARN Clc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c(Cl)c1 ZINC000012408265 558399173 /nfs/dbraw/zinc/39/91/73/558399173.db2.gz HBRBMTKDKSVMFO-UHFFFAOYSA-N 0 0 416.293 5.220 50 0 HKAARN CC(C)C(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccc2nccnc2c1 ZINC000012408384 558399483 /nfs/dbraw/zinc/39/94/83/558399483.db2.gz NGLNBYWZZXBORE-HXUWFJFHSA-N 0 0 413.308 5.270 50 0 HKAARN CC(C)C(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccc2nccnc2c1 ZINC000012408385 558399487 /nfs/dbraw/zinc/39/94/87/558399487.db2.gz NGLNBYWZZXBORE-FQEVSTJZSA-N 0 0 413.308 5.270 50 0 HKAARN Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)on4)nn32)c(Cl)c1 ZINC000012408447 558399469 /nfs/dbraw/zinc/39/94/69/558399469.db2.gz XNEGGNYIIZJLNX-UHFFFAOYSA-N 0 0 414.277 5.482 50 0 HKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccnn1Cc1cccs1 ZINC000012408449 558399464 /nfs/dbraw/zinc/39/94/64/558399464.db2.gz PUQTYQZBWUHTTG-UHFFFAOYSA-N 0 0 416.300 5.062 50 0 HKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012408457 558399490 /nfs/dbraw/zinc/39/94/90/558399490.db2.gz XDEHYQZSBBVTMV-UHFFFAOYSA-N 0 0 416.568 5.141 50 0 HKAARN CC(=O)c1cccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)c1 ZINC000012408869 558399587 /nfs/dbraw/zinc/39/95/87/558399587.db2.gz RBBQAGCRCMUBHV-UHFFFAOYSA-N 0 0 420.412 5.093 50 0 HKAARN Cc1c(C)n(C2CCCC2)c(NC(=O)C(C)(C)C)c1S(=O)(=O)c1ccccc1 ZINC000012409891 558400269 /nfs/dbraw/zinc/40/02/69/558400269.db2.gz COIJZXUAQYAAMR-UHFFFAOYSA-N 0 0 402.560 5.037 50 0 HKAARN CN(Cc1cccc2ccccc21)C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012409933 558400295 /nfs/dbraw/zinc/40/02/95/558400295.db2.gz ITVYTKSUYIIHJZ-UHFFFAOYSA-N 0 0 411.383 5.181 50 0 HKAARN Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3cccc4ncccc43)cc12 ZINC000012409940 558400290 /nfs/dbraw/zinc/40/02/90/558400290.db2.gz WAIVMHFGCKBJJR-UHFFFAOYSA-N 0 0 416.477 5.008 50 0 HKAARN CCOC(=O)c1cc(CSc2nc3cc(Cl)c4cccnc4c3o2)c(C)o1 ZINC000012410678 558400516 /nfs/dbraw/zinc/40/05/16/558400516.db2.gz RULGISDJXXGLFL-UHFFFAOYSA-N 0 0 402.859 5.400 50 0 HKAARN CCCCc1ccc(NC(=O)C(CCCC)C(=O)Nc2ccc(CCCC)cc2)cc1 ZINC000012410933 568714693 /nfs/dbraw/zinc/71/46/93/568714693.db2.gz HLKDUNUZJJFRDM-UHFFFAOYSA-N 0 0 422.613 6.755 50 0 HKAARN CCO[C@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012411219 558400720 /nfs/dbraw/zinc/40/07/20/558400720.db2.gz ZUAFVQCRZKHAGL-QFIPXVFZSA-N 0 0 416.546 6.291 50 0 HKAARN CCO[C@@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012411221 558400764 /nfs/dbraw/zinc/40/07/64/558400764.db2.gz ZUAFVQCRZKHAGL-JOCHJYFZSA-N 0 0 416.546 6.291 50 0 HKAARN CCCOc1ccccc1/N=c1\ssc2c1-c1cc(C)c(C)cc1NC2(C)C ZINC000012411376 558400750 /nfs/dbraw/zinc/40/07/50/558400750.db2.gz IXPIKLYFCIOLBL-GYHWCHFESA-N 0 0 410.608 6.775 50 0 HKAARN CCCc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)c4ccccc4c32)cc1 ZINC000012411461 558648999 /nfs/dbraw/zinc/64/89/99/558648999.db2.gz UDZPZYAZRCNJSE-UHFFFAOYSA-N 0 0 417.505 5.627 50 0 biogenic,in-vitro HKAARN CCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000012411501 558401025 /nfs/dbraw/zinc/40/10/25/558401025.db2.gz ZPWVZDIQKNEVGA-QYQHSDTDSA-N 0 0 412.480 7.031 50 0 HKAARN CCOc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1 ZINC000012411598 558400913 /nfs/dbraw/zinc/40/09/13/558400913.db2.gz HFBVKNNIFCLXQE-KRWDZBQOSA-N 0 0 413.926 5.853 50 0 HKAARN CCOc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1 ZINC000012411600 558400974 /nfs/dbraw/zinc/40/09/74/558400974.db2.gz HFBVKNNIFCLXQE-QGZVFWFLSA-N 0 0 413.926 5.853 50 0 HKAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000012411744 558401032 /nfs/dbraw/zinc/40/10/32/558401032.db2.gz SJFIJCZSPIFPCZ-XMMPIXPASA-N 0 0 424.504 5.363 50 0 HKAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000012411746 558401016 /nfs/dbraw/zinc/40/10/16/558401016.db2.gz SJFIJCZSPIFPCZ-DEOSSOPVSA-N 0 0 424.504 5.363 50 0 HKAARN CCOc1ccc(CSc2nc3ccccc3s2)cc1-n1nc2ccccc2n1 ZINC000012412260 558401229 /nfs/dbraw/zinc/40/12/29/558401229.db2.gz FTZBIPQYBXPOSK-UHFFFAOYSA-N 0 0 418.547 5.721 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1C)C(C)(C)N2 ZINC000012412262 558401208 /nfs/dbraw/zinc/40/12/08/558401208.db2.gz XRTZOICOIQEGIO-ATJXCDBQSA-N 0 0 416.999 6.730 50 0 HKAARN CCSCCn1c(C)c(C(=O)OCc2ccccc2)c2cc(O)c3ccccc3c21 ZINC000012412565 560211889 /nfs/dbraw/zinc/21/18/89/560211889.db2.gz ZZQCCTVQWIMHDK-UHFFFAOYSA-N 0 0 419.546 5.919 50 0 biogenic,in-vitro HKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc2oc3ccccc3c2c1 ZINC000012412692 558401162 /nfs/dbraw/zinc/40/11/62/558401162.db2.gz NNZSSGZDVFWUNI-DEOSSOPVSA-N 0 0 423.472 5.788 50 0 HKAARN CCc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000012413253 568716533 /nfs/dbraw/zinc/71/65/33/568716533.db2.gz XIRUETAAURBFGS-VWLOTQADSA-N 0 0 419.996 7.626 50 0 HKAARN CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012413368 558401426 /nfs/dbraw/zinc/40/14/26/558401426.db2.gz FIZNUUFGNDMUAX-UHFFFAOYSA-N 0 0 416.521 5.444 50 0 HKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000012413400 568716767 /nfs/dbraw/zinc/71/67/67/568716767.db2.gz XPSOMYFPYPAGFC-VWLOTQADSA-N 0 0 419.996 7.626 50 0 HKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000012413401 568716525 /nfs/dbraw/zinc/71/65/25/568716525.db2.gz XPSOMYFPYPAGFC-RUZDIDTESA-N 0 0 419.996 7.626 50 0 HKAARN CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 ZINC000012413415 558401677 /nfs/dbraw/zinc/40/16/77/558401677.db2.gz ODNXENUOGDOEKS-UHFFFAOYSA-N 0 0 415.946 5.366 50 0 HKAARN CCc1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2Cc2ccccc2)cc1 ZINC000012413447 558401621 /nfs/dbraw/zinc/40/16/21/558401621.db2.gz SEFHWLLFAVHMNM-QPLCGJKRSA-N 0 0 400.547 6.068 50 0 HKAARN CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2cc(Br)c(OC)cc21 ZINC000012413731 558401618 /nfs/dbraw/zinc/40/16/18/558401618.db2.gz BXXJPMFGJGEGAZ-UHFFFAOYSA-N 0 0 422.706 5.540 50 0 HKAARN CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)c1ccc2ccccc2n1 ZINC000012414089 558401898 /nfs/dbraw/zinc/40/18/98/558401898.db2.gz ARSHEFGJJQEZGI-UHFFFAOYSA-N 0 0 421.544 5.634 50 0 HKAARN Cc1ccc(C)c(CN2[C@@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 ZINC000012414849 568717314 /nfs/dbraw/zinc/71/73/14/568717314.db2.gz VTBTWRMQVLGLLL-QFIPXVFZSA-N 0 0 412.942 5.272 50 0 HKAARN Cc1ccc(C)c(CN2[C@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 ZINC000012414850 568717321 /nfs/dbraw/zinc/71/73/21/568717321.db2.gz VTBTWRMQVLGLLL-JOCHJYFZSA-N 0 0 412.942 5.272 50 0 HKAARN COc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3C)n2)cc1OC ZINC000012415589 558402131 /nfs/dbraw/zinc/40/21/31/558402131.db2.gz BOIUUBDCBSNSFB-UHFFFAOYSA-N 0 0 406.511 5.000 50 0 HKAARN CSc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C(C)C)n2)cc1 ZINC000012415745 568717997 /nfs/dbraw/zinc/71/79/97/568717997.db2.gz IUTDPNXJAMFFNC-UHFFFAOYSA-N 0 0 424.551 5.042 50 0 HKAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O ZINC000012415999 568718068 /nfs/dbraw/zinc/71/80/68/568718068.db2.gz BNIHUDPSKTWCOK-INIZCTEOSA-N 0 0 411.889 5.043 50 0 HKAARN COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O ZINC000012416000 568718035 /nfs/dbraw/zinc/71/80/35/568718035.db2.gz BNIHUDPSKTWCOK-MRXNPFEDSA-N 0 0 411.889 5.043 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000012417693 558402593 /nfs/dbraw/zinc/40/25/93/558402593.db2.gz QAYPNOUDDNDCLS-HDICACEKSA-N 0 0 401.510 5.887 50 0 HKAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000012418108 568718577 /nfs/dbraw/zinc/71/85/77/568718577.db2.gz VFOHGJUSFZQIFJ-SECBINFHSA-N 0 0 404.319 5.254 50 0 HKAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccccc1Cl)c1ccccc1 ZINC000012419345 558403069 /nfs/dbraw/zinc/40/30/69/558403069.db2.gz PSELADRXGCKLKU-UHFFFAOYSA-N 0 0 414.870 5.033 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N[C@H](C)c2ccccc2)cc1 ZINC000012419409 569401121 /nfs/dbraw/zinc/40/11/21/569401121.db2.gz DATRELRAOYMALU-MRXNPFEDSA-N 0 0 408.479 5.249 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N[C@@H](C)c2ccccc2)cc1 ZINC000012419412 569401085 /nfs/dbraw/zinc/40/10/85/569401085.db2.gz DATRELRAOYMALU-INIZCTEOSA-N 0 0 408.479 5.249 50 0 HKAARN CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012419443 558403046 /nfs/dbraw/zinc/40/30/46/558403046.db2.gz XHRHSKIOBZLIFT-UHFFFAOYSA-N 0 0 424.478 5.218 50 0 HKAARN O=S(=O)(c1nc(-c2ccco2)oc1NC1CCCCC1)c1ccc(Cl)cc1 ZINC000012419497 558403086 /nfs/dbraw/zinc/40/30/86/558403086.db2.gz CCEMVHOSJRGLQS-UHFFFAOYSA-N 0 0 406.891 5.165 50 0 HKAARN Cc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012419531 558403218 /nfs/dbraw/zinc/40/32/18/558403218.db2.gz SOVKEDMJJINNSS-UHFFFAOYSA-N 0 0 414.870 5.473 50 0 HKAARN O=S(=O)(c1nc(-c2ccco2)oc1Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012419540 558403151 /nfs/dbraw/zinc/40/31/51/558403151.db2.gz CVGLWQRQRZHDFK-UHFFFAOYSA-N 0 0 418.833 5.304 50 0 HKAARN Cc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012419555 558403235 /nfs/dbraw/zinc/40/32/35/558403235.db2.gz QCYJLMFSRAVPLF-UHFFFAOYSA-N 0 0 410.520 5.156 50 0 HKAARN O=S(=O)(c1nc(-c2cccs2)oc1Nc1ccc(F)cc1)c1ccccc1 ZINC000012419594 569401076 /nfs/dbraw/zinc/40/10/76/569401076.db2.gz UKCRKXITXWDYSF-UHFFFAOYSA-N 0 0 400.456 5.119 50 0 HKAARN Cc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012419625 558403254 /nfs/dbraw/zinc/40/32/54/558403254.db2.gz RVVKKADCHPQMIH-UHFFFAOYSA-N 0 0 424.547 5.465 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCc2ccccc2)cc1 ZINC000012419630 569401238 /nfs/dbraw/zinc/40/12/38/569401238.db2.gz CDRZXJGDJZUWFG-UHFFFAOYSA-N 0 0 424.547 5.199 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N(C)Cc2ccccc2)cc1 ZINC000012419636 569401220 /nfs/dbraw/zinc/40/12/20/569401220.db2.gz VHNPZFBWLNBZOB-UHFFFAOYSA-N 0 0 424.547 5.181 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012419649 569401215 /nfs/dbraw/zinc/40/12/15/569401215.db2.gz OFSZKTZBIOOAMI-HZPDHXFCSA-N 0 0 416.568 5.027 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012419654 569401226 /nfs/dbraw/zinc/40/12/26/569401226.db2.gz OFSZKTZBIOOAMI-IYBDPMFKSA-N 0 0 416.568 5.027 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000012419656 569401229 /nfs/dbraw/zinc/40/12/29/569401229.db2.gz OFSZKTZBIOOAMI-HOTGVXAUSA-N 0 0 416.568 5.027 50 0 HKAARN O=S(=O)(c1nc(-c2cccs2)oc1N1CCCCCC1)c1ccc(Cl)cc1 ZINC000012419676 558403220 /nfs/dbraw/zinc/40/32/20/558403220.db2.gz RZLATRFRWKHYSC-UHFFFAOYSA-N 0 0 422.959 5.270 50 0 HKAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000012419688 558403185 /nfs/dbraw/zinc/40/31/85/558403185.db2.gz ODYJYVUWOXGJNZ-UHFFFAOYSA-N 0 0 420.899 5.094 50 0 HKAARN CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000012420073 568719549 /nfs/dbraw/zinc/71/95/49/568719549.db2.gz LBEQQXKKBZSLPJ-AREMUKBSSA-N 0 0 405.538 5.342 50 0 HKAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000012420075 568719579 /nfs/dbraw/zinc/71/95/79/568719579.db2.gz LBEQQXKKBZSLPJ-SANMLTNESA-N 0 0 405.538 5.342 50 0 HKAARN CCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)C1=O ZINC000012420097 517559573 /nfs/dbraw/zinc/55/95/73/517559573.db2.gz SQAXVLMWOCCYKI-AREMUKBSSA-N 0 0 411.505 5.067 50 0 HKAARN CCCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)C1=O ZINC000012420100 568719340 /nfs/dbraw/zinc/71/93/40/568719340.db2.gz SQAXVLMWOCCYKI-SANMLTNESA-N 0 0 411.505 5.067 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Cl)cc2)cc1 ZINC000012420654 560211903 /nfs/dbraw/zinc/21/19/03/560211903.db2.gz BYZPHLHEULUCKR-RUZDIDTESA-N 0 0 402.925 5.978 50 0 biogenic,in-vitro HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Cl)cc2)cc1 ZINC000012420655 560211835 /nfs/dbraw/zinc/21/18/35/560211835.db2.gz BYZPHLHEULUCKR-VWLOTQADSA-N 0 0 402.925 5.978 50 0 biogenic,in-vitro HKAARN O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012420900 568720618 /nfs/dbraw/zinc/72/06/18/568720618.db2.gz HXAKDTDQOKEGSX-HXUWFJFHSA-N 0 0 418.909 5.336 50 0 HKAARN O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012420901 568720609 /nfs/dbraw/zinc/72/06/09/568720609.db2.gz HXAKDTDQOKEGSX-FQEVSTJZSA-N 0 0 418.909 5.336 50 0 HKAARN Clc1ccc(OCCCc2nc(-c3ccc(Br)o3)no2)c(Cl)c1 ZINC000012428500 558403981 /nfs/dbraw/zinc/40/39/81/558403981.db2.gz AFVGGASLPOMSNZ-UHFFFAOYSA-N 0 0 418.074 5.411 50 0 HKAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000012428504 558403938 /nfs/dbraw/zinc/40/39/38/558403938.db2.gz RXEWOVBYKWBSHY-UHFFFAOYSA-N 0 0 423.365 5.921 50 0 HKAARN O=C(Nc1cccc(Br)c1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000012428635 558403957 /nfs/dbraw/zinc/40/39/57/558403957.db2.gz YLNAXLXLRCUAOJ-CAPBHKODSA-N 0 0 403.147 5.244 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(Cl)c1 ZINC000012428736 558403952 /nfs/dbraw/zinc/40/39/52/558403952.db2.gz OUOJDKAHNPVITH-HDICACEKSA-N 0 0 421.328 5.248 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc(F)c1 ZINC000012428756 558403961 /nfs/dbraw/zinc/40/39/61/558403961.db2.gz BAQCRXRCOYWPMR-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN COc1ccc(-n2ncc([C@@H](C)NCc3nc(-c4cccs4)oc3C)c2C)cc1 ZINC000012431100 558405603 /nfs/dbraw/zinc/40/56/03/558405603.db2.gz KPOBBBZATAAVSD-CQSZACIVSA-N 0 0 408.527 5.065 50 0 HKAARN COc1ccc(-n2ncc([C@H](C)NCc3nc(-c4cccs4)oc3C)c2C)cc1 ZINC000012431101 558405733 /nfs/dbraw/zinc/40/57/33/558405733.db2.gz KPOBBBZATAAVSD-AWEZNQCLSA-N 0 0 408.527 5.065 50 0 HKAARN O=C(c1ccoc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012431303 558405622 /nfs/dbraw/zinc/40/56/22/558405622.db2.gz GCZZTMRIWKMYLQ-NRFANRHFSA-N 0 0 410.395 5.568 50 0 HKAARN O=C(c1ccoc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012431304 558405649 /nfs/dbraw/zinc/40/56/49/558405649.db2.gz GCZZTMRIWKMYLQ-OAQYLSRUSA-N 0 0 410.395 5.568 50 0 HKAARN C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1cccc2ccccc21 ZINC000012432250 558406465 /nfs/dbraw/zinc/40/64/65/558406465.db2.gz NQFOYJVEFSQCLF-CQSZACIVSA-N 0 0 408.404 5.176 50 0 HKAARN C[C@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1cccc2ccccc21 ZINC000012432251 558406468 /nfs/dbraw/zinc/40/64/68/558406468.db2.gz NQFOYJVEFSQCLF-AWEZNQCLSA-N 0 0 408.404 5.176 50 0 HKAARN COc1ccc([C@@H](C)N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1 ZINC000012432761 558406922 /nfs/dbraw/zinc/40/69/22/558406922.db2.gz OHZDUUUAQHHCLN-CQSZACIVSA-N 0 0 409.486 5.044 50 0 HKAARN COc1ccc([C@H](C)N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1 ZINC000012432762 558407053 /nfs/dbraw/zinc/40/70/53/558407053.db2.gz OHZDUUUAQHHCLN-AWEZNQCLSA-N 0 0 409.486 5.044 50 0 HKAARN O=C(c1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCC(c2ccncc2)CC1 ZINC000012433988 558407805 /nfs/dbraw/zinc/40/78/05/558407805.db2.gz MDJFBGNORXRLCI-UHFFFAOYSA-N 0 0 422.941 5.131 50 0 HKAARN Cc1ccc(C2(c3noc(CN4CCCC[C@@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436269 558409113 /nfs/dbraw/zinc/40/91/13/558409113.db2.gz VZIVRPOAPVIJIJ-JOCHJYFZSA-N 0 0 402.542 5.360 50 0 HKAARN Cc1ccc(C2(c3noc(CN4CCCC[C@H]4c4cccnc4)n3)CCCC2)cc1 ZINC000012436270 558409100 /nfs/dbraw/zinc/40/91/00/558409100.db2.gz VZIVRPOAPVIJIJ-QFIPXVFZSA-N 0 0 402.542 5.360 50 0 HKAARN c1ccc(C(c2noc(CN3CCC(c4ccncc4)CC3)n2)c2ccccc2)cc1 ZINC000012436318 568722561 /nfs/dbraw/zinc/72/25/61/568722561.db2.gz YVZUZNAARFZBLK-UHFFFAOYSA-N 0 0 410.521 5.024 50 0 HKAARN CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c1 ZINC000012436583 558409055 /nfs/dbraw/zinc/40/90/55/558409055.db2.gz TWQOYDVDHMTZPY-FLFQWRMESA-N 0 0 409.580 6.027 50 0 HKAARN CCCOc1ccc(-c2cn3c4c(sc3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 ZINC000012436632 558409096 /nfs/dbraw/zinc/40/90/96/558409096.db2.gz MJKYIBXHUMCZJJ-GOSISDBHSA-N 0 0 402.519 5.764 50 0 HKAARN CCCOc1ccc(-c2cn3c4c(sc3n2)C(=O)C[C@@H](c2ccccc2)C4)cc1 ZINC000012436633 558409086 /nfs/dbraw/zinc/40/90/86/558409086.db2.gz MJKYIBXHUMCZJJ-SFHVURJKSA-N 0 0 402.519 5.764 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012436634 558409077 /nfs/dbraw/zinc/40/90/77/558409077.db2.gz PBJNLUYKGSEFIB-PXJZQJOASA-N 0 0 418.540 7.206 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000012436635 558409284 /nfs/dbraw/zinc/40/92/84/558409284.db2.gz PBJNLUYKGSEFIB-XRKRLSELSA-N 0 0 418.540 7.206 50 0 HKAARN CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(-c3cccc(OC)c3)c(C)c21 ZINC000012436728 558409333 /nfs/dbraw/zinc/40/93/33/558409333.db2.gz DVDGBADYEXAXDG-SLEBQGDGSA-N 0 0 404.554 5.888 50 0 biogenic HKAARN CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c1 ZINC000012436889 558409342 /nfs/dbraw/zinc/40/93/42/558409342.db2.gz UTRKOMGJUIMFRW-LVWGJNHUSA-N 0 0 423.607 6.335 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000012436945 558409242 /nfs/dbraw/zinc/40/92/42/558409242.db2.gz LKSFOAXKKAKLEJ-OFVILXPXSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000012436946 558409254 /nfs/dbraw/zinc/40/92/54/558409254.db2.gz LKSFOAXKKAKLEJ-BWKNWUBXSA-N 0 0 400.478 5.255 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000012437259 558409258 /nfs/dbraw/zinc/40/92/58/558409258.db2.gz RNFZNORCPIBXNF-PXJZQJOASA-N 0 0 418.540 7.206 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000012437260 558409246 /nfs/dbraw/zinc/40/92/46/558409246.db2.gz RNFZNORCPIBXNF-XRKRLSELSA-N 0 0 418.540 7.206 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012437305 558409362 /nfs/dbraw/zinc/40/93/62/558409362.db2.gz YYEWOFWMPKYEEY-AOYPEHQESA-N 0 0 414.505 5.725 50 0 HKAARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000012437309 558409370 /nfs/dbraw/zinc/40/93/70/558409370.db2.gz REXCLMSTNKKINX-UHFFFAOYSA-N 0 0 417.940 6.288 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1 ZINC000012437372 569042952 /nfs/dbraw/zinc/04/29/52/569042952.db2.gz XVGXYRHWNJVQDC-BZZOAKBMSA-N 0 0 423.921 5.768 50 0 HKAARN CCc1cccc(/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccccc2)c1 ZINC000012437380 568722714 /nfs/dbraw/zinc/72/27/14/568722714.db2.gz UZKVPYMTEAHBLD-IZHYLOQSSA-N 0 0 419.502 5.069 50 0 HKAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccccc3C)oc21 ZINC000012437465 568723040 /nfs/dbraw/zinc/72/30/40/568723040.db2.gz UKIFMZDUCRLARP-IZHYLOQSSA-N 0 0 419.502 5.123 50 0 HKAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 ZINC000012437841 132359933 /nfs/dbraw/zinc/35/99/33/132359933.db2.gz FPYZZVDKGLVBSK-UHFFFAOYSA-N 0 0 400.931 5.020 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2c1 ZINC000012437856 568722986 /nfs/dbraw/zinc/72/29/86/568722986.db2.gz DTJJGEYNUBMGMF-UHFFFAOYSA-N 0 0 424.566 5.155 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)c2c1 ZINC000012437857 535445874 /nfs/dbraw/zinc/44/58/74/535445874.db2.gz WEHIWZZHNVAHMQ-UHFFFAOYSA-N 0 0 424.566 5.011 50 0 HKAARN CC1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012437893 132360107 /nfs/dbraw/zinc/36/01/07/132360107.db2.gz DLGDHWIZTYQVKE-UHFFFAOYSA-N 0 0 418.921 5.096 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCCC1 ZINC000012437904 568722909 /nfs/dbraw/zinc/72/29/09/568722909.db2.gz ONCCGIYSNKQAKZ-UHFFFAOYSA-N 0 0 400.931 5.101 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@@H](C)C3)c2c1 ZINC000012437911 535445667 /nfs/dbraw/zinc/44/56/67/535445667.db2.gz FOEZDKGRHMLLDF-GOSISDBHSA-N 0 0 424.566 5.011 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@H](C)C3)c2c1 ZINC000012437913 535445106 /nfs/dbraw/zinc/44/51/06/535445106.db2.gz FOEZDKGRHMLLDF-SFHVURJKSA-N 0 0 424.566 5.011 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCCC3)c2c1 ZINC000012437963 535445313 /nfs/dbraw/zinc/44/53/13/535445313.db2.gz RQYGYQGNKIMOTM-UHFFFAOYSA-N 0 0 424.566 5.073 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000012438340 568723072 /nfs/dbraw/zinc/72/30/72/568723072.db2.gz NUZYBGYRLCAZCB-LZNRXBQRSA-N 0 0 421.537 5.220 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000012438344 568723051 /nfs/dbraw/zinc/72/30/51/568723051.db2.gz NUZYBGYRLCAZCB-JUXOCIIHSA-N 0 0 421.537 5.220 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012438925 558410417 /nfs/dbraw/zinc/41/04/17/558410417.db2.gz LBPFLZFQZIQGKX-QGZVFWFLSA-N 0 0 408.464 5.496 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012438926 558410394 /nfs/dbraw/zinc/41/03/94/558410394.db2.gz LBPFLZFQZIQGKX-KRWDZBQOSA-N 0 0 408.464 5.496 50 0 HKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2CCCC2)c1OC ZINC000012439171 558410614 /nfs/dbraw/zinc/41/06/14/558410614.db2.gz YGIYSCNXDWVZKC-VWLOTQADSA-N 0 0 418.537 5.240 50 0 HKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC2CCCC2)c1OC ZINC000012439172 558410584 /nfs/dbraw/zinc/41/05/84/558410584.db2.gz YGIYSCNXDWVZKC-RUZDIDTESA-N 0 0 418.537 5.240 50 0 HKAARN O=C(CCc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000012439559 558411104 /nfs/dbraw/zinc/41/11/04/558411104.db2.gz KTQRBLMUFWGJAE-VWLOTQADSA-N 0 0 415.924 5.323 50 0 HKAARN O=C(CCc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000012439560 558411001 /nfs/dbraw/zinc/41/10/01/558411001.db2.gz KTQRBLMUFWGJAE-RUZDIDTESA-N 0 0 415.924 5.323 50 0 HKAARN CC(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000012440867 568723507 /nfs/dbraw/zinc/72/35/07/568723507.db2.gz VRSDPCXSLLWCLD-UHFFFAOYSA-N 0 0 409.917 5.106 50 0 HKAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000012441143 568723867 /nfs/dbraw/zinc/72/38/67/568723867.db2.gz SKLGEZIZHVCTQY-UHFFFAOYSA-N 0 0 423.516 5.305 50 0 HKAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000012441230 568723980 /nfs/dbraw/zinc/72/39/80/568723980.db2.gz GDDBSYFHDRQGET-UHFFFAOYSA-N 0 0 408.461 5.119 50 0 HKAARN CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl)c1ccccc1 ZINC000012441262 568724167 /nfs/dbraw/zinc/72/41/67/568724167.db2.gz HJYZEJDBQAQLRO-QGZVFWFLSA-N 0 0 420.900 5.191 50 0 HKAARN CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl)c1ccccc1 ZINC000012441264 568724115 /nfs/dbraw/zinc/72/41/15/568724115.db2.gz HJYZEJDBQAQLRO-KRWDZBQOSA-N 0 0 420.900 5.191 50 0 HKAARN O=C(CCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1c(F)cccc1Cl ZINC000012441376 558412032 /nfs/dbraw/zinc/41/20/32/558412032.db2.gz NDOUFSPARLBLDU-DEOSSOPVSA-N 0 0 422.887 5.660 50 0 HKAARN O=C(CCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1c1c(F)cccc1Cl ZINC000012441378 558412026 /nfs/dbraw/zinc/41/20/26/558412026.db2.gz NDOUFSPARLBLDU-XMMPIXPASA-N 0 0 422.887 5.660 50 0 HKAARN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441691 568724326 /nfs/dbraw/zinc/72/43/26/568724326.db2.gz XIPNWEABAJIKKN-UHFFFAOYSA-N 0 0 418.566 5.459 50 0 HKAARN Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441718 568724360 /nfs/dbraw/zinc/72/43/60/568724360.db2.gz WBBVRALUGKAEED-UHFFFAOYSA-N 0 0 412.877 5.349 50 0 HKAARN Cc1cc(NC(=O)CSCc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441747 568724388 /nfs/dbraw/zinc/72/43/88/568724388.db2.gz BPNFLMWIIUBOIG-UHFFFAOYSA-N 0 0 420.563 5.176 50 0 HKAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441772 568724396 /nfs/dbraw/zinc/72/43/96/568724396.db2.gz YEMDMOFAFGMQBV-UHFFFAOYSA-N 0 0 400.463 5.303 50 0 HKAARN CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 ZINC000012441797 568724279 /nfs/dbraw/zinc/72/42/79/568724279.db2.gz RCILPJFEVQWHCY-UHFFFAOYSA-N 0 0 406.536 5.278 50 0 HKAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441842 568724271 /nfs/dbraw/zinc/72/42/71/568724271.db2.gz UDZBUNKYTSTBNW-UHFFFAOYSA-N 0 0 414.943 5.200 50 0 HKAARN Cc1cc(NC(=O)CCc2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441843 568724417 /nfs/dbraw/zinc/72/44/17/568724417.db2.gz ZDKDHUHUYPBGGS-UHFFFAOYSA-N 0 0 422.941 5.529 50 0 HKAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441848 568724419 /nfs/dbraw/zinc/72/44/19/568724419.db2.gz USHDTECABPVEEZ-UHFFFAOYSA-N 0 0 400.916 5.271 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000012441881 568724358 /nfs/dbraw/zinc/72/43/58/568724358.db2.gz LYSSFGWDBKZRPX-UHFFFAOYSA-N 0 0 418.522 5.264 50 0 HKAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441893 568724329 /nfs/dbraw/zinc/72/43/29/568724329.db2.gz WYUBOZCKBPDENM-UHFFFAOYSA-N 0 0 410.449 5.143 50 0 HKAARN Cc1cc(NC(=O)Cc2cccc(C)c2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441919 568724552 /nfs/dbraw/zinc/72/45/52/568724552.db2.gz WPHXGRGEXLSWLG-UHFFFAOYSA-N 0 0 402.523 5.102 50 0 HKAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441931 568724667 /nfs/dbraw/zinc/72/46/67/568724667.db2.gz QMMMZSMSTPVZOG-UHFFFAOYSA-N 0 0 414.490 5.611 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441966 568724627 /nfs/dbraw/zinc/72/46/27/568724627.db2.gz RJHCVODPICCBOM-UHFFFAOYSA-N 0 0 410.449 5.143 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442003 568724633 /nfs/dbraw/zinc/72/46/33/568724633.db2.gz FMNUOWBDTBNPPU-UHFFFAOYSA-N 0 0 412.877 5.349 50 0 HKAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442005 568724598 /nfs/dbraw/zinc/72/45/98/568724598.db2.gz WSDBWXPZDYCEHK-UHFFFAOYSA-N 0 0 412.877 5.349 50 0 HKAARN Cc1cc(NC(=O)/C=C\c2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442020 568724573 /nfs/dbraw/zinc/72/45/73/568724573.db2.gz YZOQCHCUBDSMJK-GHXNOFRVSA-N 0 0 404.470 5.095 50 0 HKAARN Cc1cc(NC(=O)CCCc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442044 568724618 /nfs/dbraw/zinc/72/46/18/568724618.db2.gz PHOLPJQSCXMRLC-UHFFFAOYSA-N 0 0 420.513 5.405 50 0 HKAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442054 568724536 /nfs/dbraw/zinc/72/45/36/568724536.db2.gz SVHFSTKQZRIWMZ-UHFFFAOYSA-N 0 0 418.453 5.442 50 0 HKAARN CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000012442072 568724559 /nfs/dbraw/zinc/72/45/59/568724559.db2.gz KQVHIUCZRXBWMX-UHFFFAOYSA-N 0 0 424.526 5.418 50 0 HKAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c(C)c3)n2)c1 ZINC000012442096 568724344 /nfs/dbraw/zinc/72/43/44/568724344.db2.gz PDXMNNHIBMKKHA-UHFFFAOYSA-N 0 0 418.522 5.182 50 0 HKAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3Cl)n2)c1 ZINC000012442100 568724333 /nfs/dbraw/zinc/72/43/33/568724333.db2.gz TUCZOXRLOAAEML-UHFFFAOYSA-N 0 0 424.913 5.219 50 0 HKAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1 ZINC000012442137 568724353 /nfs/dbraw/zinc/72/43/53/568724353.db2.gz GYAJXDPEEBUFIA-UHFFFAOYSA-N 0 0 410.543 5.222 50 0 HKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3C)n2)cc1 ZINC000012442157 568724347 /nfs/dbraw/zinc/72/43/47/568724347.db2.gz XDHKXUXAORJGBL-UHFFFAOYSA-N 0 0 418.522 5.264 50 0 HKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1 ZINC000012442160 568724321 /nfs/dbraw/zinc/72/43/21/568724321.db2.gz ZEKMYOLJOXGTRH-UHFFFAOYSA-N 0 0 422.485 5.094 50 0 HKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccs3)n2)cc1 ZINC000012442197 568724269 /nfs/dbraw/zinc/72/42/69/568724269.db2.gz MTNJJAKDIBJYNK-UHFFFAOYSA-N 0 0 410.524 5.017 50 0 HKAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442206 558412659 /nfs/dbraw/zinc/41/26/59/558412659.db2.gz AHHBCZYNLJEJGY-OAQYLSRUSA-N 0 0 407.535 5.207 50 0 HKAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4csc(C(C)=O)c4)C3)ccc2c1 ZINC000012442208 558412641 /nfs/dbraw/zinc/41/26/41/558412641.db2.gz AHHBCZYNLJEJGY-NRFANRHFSA-N 0 0 407.535 5.207 50 0 HKAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)Nc3ccccc3C)cc1)c2=O ZINC000012442380 568724877 /nfs/dbraw/zinc/72/48/77/568724877.db2.gz MKHLKTAYCRBBQD-UHFFFAOYSA-N 0 0 401.418 5.155 50 0 HKAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)Nc3c(C)cccc3C)cc1)c2=O ZINC000012442401 568724892 /nfs/dbraw/zinc/72/48/92/568724892.db2.gz FVOOEVFKMWUPIY-UHFFFAOYSA-N 0 0 415.445 5.463 50 0 HKAARN COc1ccccc1Oc1coc2c(ccc3c2CN(Cc2cccs2)CO3)c1=O ZINC000012442421 568724842 /nfs/dbraw/zinc/72/48/42/568724842.db2.gz JBOAGTJXMGXBMM-UHFFFAOYSA-N 0 0 421.474 5.008 50 0 HKAARN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012443564 558413013 /nfs/dbraw/zinc/41/30/13/558413013.db2.gz ZKSZURGZLUJNQS-OAHLLOKOSA-N 0 0 407.457 5.162 50 0 HKAARN CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012443566 558413014 /nfs/dbraw/zinc/41/30/14/558413014.db2.gz ZKSZURGZLUJNQS-HNNXBMFYSA-N 0 0 407.457 5.162 50 0 HKAARN CCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012443699 558413183 /nfs/dbraw/zinc/41/31/83/558413183.db2.gz KNBTVBQFSAVOIZ-LJQANCHMSA-N 0 0 420.484 5.087 50 0 HKAARN CCc1noc(C)c1C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012443701 558413255 /nfs/dbraw/zinc/41/32/55/558413255.db2.gz KNBTVBQFSAVOIZ-IBGZPJMESA-N 0 0 420.484 5.087 50 0 HKAARN CSc1cccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c1 ZINC000012444173 568725281 /nfs/dbraw/zinc/72/52/81/568725281.db2.gz MMWCITABZLVBND-UHFFFAOYSA-N 0 0 414.577 5.021 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000012444376 568725656 /nfs/dbraw/zinc/72/56/56/568725656.db2.gz CLVPVEYWAFJQLY-GFCCVEGCSA-N 0 0 408.552 5.135 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000012444378 568725828 /nfs/dbraw/zinc/72/58/28/568725828.db2.gz CLVPVEYWAFJQLY-LBPRGKRZSA-N 0 0 408.552 5.135 50 0 HKAARN CSc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444628 558413190 /nfs/dbraw/zinc/41/31/90/558413190.db2.gz GMYKFRKPFAPJMS-OAQYLSRUSA-N 0 0 422.529 5.724 50 0 HKAARN CSc1ccc(-c2nc(CN3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012444632 558413508 /nfs/dbraw/zinc/41/35/08/558413508.db2.gz GMYKFRKPFAPJMS-NRFANRHFSA-N 0 0 422.529 5.724 50 0 HKAARN Cc1nc2sc(C(=O)N(Cc3ccccc3)c3ccccc3)c(N)c2c(C)c1Cl ZINC000012444703 558413532 /nfs/dbraw/zinc/41/35/32/558413532.db2.gz OFBYEXOLRAEATP-UHFFFAOYSA-N 0 0 421.953 5.996 50 0 HKAARN Cc1nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl ZINC000012444715 558413480 /nfs/dbraw/zinc/41/34/80/558413480.db2.gz CPOVUFXRKBTVHO-UHFFFAOYSA-N 0 0 420.921 6.050 50 0 HKAARN Cc1nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl ZINC000012444718 558413476 /nfs/dbraw/zinc/41/34/76/558413476.db2.gz OJELRXSYWVVPNU-HXUWFJFHSA-N 0 0 422.937 5.901 50 0 HKAARN Cc1nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl ZINC000012444721 558413417 /nfs/dbraw/zinc/41/34/17/558413417.db2.gz OJELRXSYWVVPNU-FQEVSTJZSA-N 0 0 422.937 5.901 50 0 HKAARN Cc1nc2c(c(NC(=O)C(c3ccccc3)c3ccccc3)nn2C)c(C)c1Cl ZINC000012444804 558413411 /nfs/dbraw/zinc/41/34/11/558413411.db2.gz ROTIERVUMYYUIA-UHFFFAOYSA-N 0 0 404.901 5.009 50 0 HKAARN COc1ccc(OC)c(-c2nc(-c3cc(C)sc3C)c(-c3cc(C)sc3C)[nH]2)c1 ZINC000012445324 569401494 /nfs/dbraw/zinc/40/14/94/569401494.db2.gz WAPFIKYEOUEXID-UHFFFAOYSA-N 0 0 424.591 6.785 50 0 HKAARN COCc1cc(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(-n3cccc3)c21 ZINC000012445398 558413760 /nfs/dbraw/zinc/41/37/60/558413760.db2.gz QZZTVMNFUMMOMJ-UHFFFAOYSA-N 0 0 402.479 5.259 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1cccs1)n1c2ccccc2nc1-3 ZINC000012445663 558413755 /nfs/dbraw/zinc/41/37/55/558413755.db2.gz UFSOJIXHEBDULO-HXUWFJFHSA-N 0 0 418.547 5.802 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1cccs1)n1c2ccccc2nc1-3 ZINC000012445665 558413789 /nfs/dbraw/zinc/41/37/89/558413789.db2.gz UFSOJIXHEBDULO-FQEVSTJZSA-N 0 0 418.547 5.802 50 0 HKAARN COc1c(C)cc(NC(=O)C(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1C ZINC000012445778 558413803 /nfs/dbraw/zinc/41/38/03/558413803.db2.gz HUPZGDKURYLFSZ-UHFFFAOYSA-N 0 0 412.489 5.292 50 0 HKAARN C[C@@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1nccs1 ZINC000012445946 558414023 /nfs/dbraw/zinc/41/40/23/558414023.db2.gz JLMJZQBZCFGTMA-SNVBAGLBSA-N 0 0 422.457 5.029 50 0 HKAARN C[C@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1nccs1 ZINC000012445948 558414076 /nfs/dbraw/zinc/41/40/76/558414076.db2.gz JLMJZQBZCFGTMA-JTQLQIEISA-N 0 0 422.457 5.029 50 0 HKAARN COC(=O)/C(=C(/F)Sc1ccc(OC(=O)c2ccccc2)cc1C)C(F)(F)F ZINC000012445973 558413971 /nfs/dbraw/zinc/41/39/71/558413971.db2.gz DVPPRUYHTYYJMH-FOCLMDBBSA-N 0 0 414.376 5.223 50 0 HKAARN Cc1cc(C)n2nc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2n1 ZINC000012446129 558414093 /nfs/dbraw/zinc/41/40/93/558414093.db2.gz YCAWLZSFWOVMMO-UHFFFAOYSA-N 0 0 422.557 5.825 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2NC(=O)C1CCCCC1 ZINC000012446486 558414306 /nfs/dbraw/zinc/41/43/06/558414306.db2.gz FFWLNFQQCCOELA-UHFFFAOYSA-N 0 0 421.566 5.709 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2NC(=O)CC(C)(C)C ZINC000012446487 558414405 /nfs/dbraw/zinc/41/44/05/558414405.db2.gz WIQZBAYWEQFGCE-UHFFFAOYSA-N 0 0 409.555 5.564 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2NC(=O)c1ccco1 ZINC000012446500 558414212 /nfs/dbraw/zinc/41/42/12/558414212.db2.gz BFQFFASVQQPGIP-UHFFFAOYSA-N 0 0 405.479 5.035 50 0 HKAARN Cc1cc(C)c2c(n1)sc(-c1ccon1)c2N(C(=O)CC(C)C)C(=O)CC(C)C ZINC000012446547 558414354 /nfs/dbraw/zinc/41/43/54/558414354.db2.gz QUTPZPGYBJEBKV-UHFFFAOYSA-N 0 0 413.543 5.520 50 0 HKAARN Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000012446954 558414636 /nfs/dbraw/zinc/41/46/36/558414636.db2.gz GRMVPMPHQBQXBL-SXGWCWSVSA-N 0 0 414.280 5.744 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000012447216 558414675 /nfs/dbraw/zinc/41/46/75/558414675.db2.gz GANAYFSRMHCTMD-JOCHJYFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000012447218 558414549 /nfs/dbraw/zinc/41/45/49/558414549.db2.gz GANAYFSRMHCTMD-QFIPXVFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000012447795 558415223 /nfs/dbraw/zinc/41/52/23/558415223.db2.gz AEODDGQHDRSGKN-OAQYLSRUSA-N 0 0 401.554 5.836 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000012447796 558415235 /nfs/dbraw/zinc/41/52/35/558415235.db2.gz AEODDGQHDRSGKN-NRFANRHFSA-N 0 0 401.554 5.836 50 0 HKAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)CCC(F)(F)F)C2 ZINC000012452584 558416320 /nfs/dbraw/zinc/41/63/20/558416320.db2.gz CHYJKKCTYRJQQB-AWEZNQCLSA-N 0 0 420.456 5.034 50 0 HKAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)CCC(F)(F)F)C2 ZINC000012452586 558416340 /nfs/dbraw/zinc/41/63/40/558416340.db2.gz CHYJKKCTYRJQQB-CQSZACIVSA-N 0 0 420.456 5.034 50 0 HKAARN O=Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC000012454396 558416629 /nfs/dbraw/zinc/41/66/29/558416629.db2.gz YDHPBZNTXGKTSK-JOCHJYFZSA-N 0 0 413.473 5.027 50 0 HKAARN O=Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC000012454398 558416912 /nfs/dbraw/zinc/41/69/12/558416912.db2.gz YDHPBZNTXGKTSK-QFIPXVFZSA-N 0 0 413.473 5.027 50 0 HKAARN COc1cccc(-c2nc(CN(C)Cc3cccc(C(F)(F)F)c3)c(C)o2)c1OC ZINC000012455888 558417112 /nfs/dbraw/zinc/41/71/12/558417112.db2.gz GNGPCHCDTPLUCY-UHFFFAOYSA-N 0 0 420.431 5.318 50 0 HKAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012456085 558417287 /nfs/dbraw/zinc/41/72/87/558417287.db2.gz ULTMQTPVUFPBGP-QFIPXVFZSA-N 0 0 412.489 5.405 50 0 HKAARN COc1ccccc1[C@H]1CCCN1C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012456087 558417304 /nfs/dbraw/zinc/41/73/04/558417304.db2.gz ULTMQTPVUFPBGP-JOCHJYFZSA-N 0 0 412.489 5.405 50 0 HKAARN CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)Cc1nccs1 ZINC000012456692 558417449 /nfs/dbraw/zinc/41/74/49/558417449.db2.gz NKWAGJYNWAQNQW-UHFFFAOYSA-N 0 0 412.921 5.420 50 0 HKAARN Cc1ccc(OCCCC(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 ZINC000012461738 558419048 /nfs/dbraw/zinc/41/90/48/558419048.db2.gz OOQDTJPQHAEQBP-UHFFFAOYSA-N 0 0 405.450 5.314 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(C)c(C)c3)cc2)cc1 ZINC000012461858 568829276 /nfs/dbraw/zinc/82/92/76/568829276.db2.gz GBEUIZITCOUWII-UHFFFAOYSA-N 0 0 422.550 5.098 50 0 HKAARN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000012462006 558419120 /nfs/dbraw/zinc/41/91/20/558419120.db2.gz QXYJSPUBVIIGRW-IZHYLOQSSA-N 0 0 400.503 5.534 50 0 aggregator HKAARN Cc1ccc(-c2csc(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)n2)cc1 ZINC000012462018 558419133 /nfs/dbraw/zinc/41/91/33/558419133.db2.gz CONCDVFUPRACPB-ZHACJKMWSA-N 0 0 423.969 5.134 50 0 HKAARN Cc1ccc(-c2csc(N3CCN(C(=O)c4cc5ccccc5s4)CC3)n2)cc1 ZINC000012462021 558419143 /nfs/dbraw/zinc/41/91/43/558419143.db2.gz WBQIBLQMRNCVTG-UHFFFAOYSA-N 0 0 419.575 5.296 50 0 HKAARN COc1ccc(OC)c2c(C)cc(SCc3nnc(-c4ccc(C)cc4)o3)nc12 ZINC000012462089 558419207 /nfs/dbraw/zinc/41/92/07/558419207.db2.gz HMHNLRPQZJMWAK-UHFFFAOYSA-N 0 0 407.495 5.211 50 0 HKAARN COc1ccc(CCn2c(-c3ccc(C)c(C)c3)cs/c2=N\c2ccccc2)cc1 ZINC000012462273 558419299 /nfs/dbraw/zinc/41/92/99/558419299.db2.gz QNWJHOFFFHVILL-RQZHXJHFSA-N 0 0 414.574 6.317 50 0 HKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1Cl)C(C)(C)N2 ZINC000012462549 558419264 /nfs/dbraw/zinc/41/92/64/558419264.db2.gz ZHBKTQZEGPKDIA-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 ZINC000012462550 558419321 /nfs/dbraw/zinc/41/93/21/558419321.db2.gz HCNVKTANQGMUTD-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 ZINC000012462551 558419261 /nfs/dbraw/zinc/41/92/61/558419261.db2.gz NRVYOIQPXNSMNL-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN Cc1cccc(Oc2cc(Oc3cccc(C)c3)c3c(c2)Oc2ccccc2NC3=O)c1 ZINC000012462866 558419622 /nfs/dbraw/zinc/41/96/22/558419622.db2.gz LDANHEXARLUBHK-UHFFFAOYSA-N 0 0 423.468 7.246 50 0 biogenic HKAARN COc1c(C)cccc1C(=O)NCC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 ZINC000012462952 558419610 /nfs/dbraw/zinc/41/96/10/558419610.db2.gz QMBUYIOUHQTFJU-LDCALFFHSA-N 0 0 417.593 5.888 50 0 HKAARN Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCCOc1c(C)cccc1C ZINC000012462965 558419704 /nfs/dbraw/zinc/41/97/04/558419704.db2.gz FBYZNXDASLLHHD-UHFFFAOYSA-N 0 0 407.554 5.481 50 0 HKAARN Cc1nc2c(sc(=S)n2-c2ccccc2)c(Sc2nc3ccccc3s2)n1 ZINC000012463257 558419607 /nfs/dbraw/zinc/41/96/07/558419607.db2.gz WIPXCWRAYBDNPT-UHFFFAOYSA-N 0 0 424.601 6.281 50 0 HKAARN COc1ccccc1C1=N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O1 ZINC000012463461 558419659 /nfs/dbraw/zinc/41/96/59/558419659.db2.gz OVHQZMAIPROPIH-KGENOOAVSA-N 0 0 419.864 5.272 50 0 HKAARN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000012464430 568837880 /nfs/dbraw/zinc/83/78/80/568837880.db2.gz OLWPOBZDVXVHOQ-ZDLGFXPLSA-N 0 0 422.333 6.019 50 0 HKAARN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)Nc3ccccc32)cc1 ZINC000012468362 568838307 /nfs/dbraw/zinc/83/83/07/568838307.db2.gz ILFQYCDNZKGDNS-MOSHPQCFSA-N 0 0 420.306 5.829 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000012468879 568838247 /nfs/dbraw/zinc/83/82/47/568838247.db2.gz MYDDVGCNMWNAOM-PDGQHHTCSA-N 0 0 424.269 5.660 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000012468902 568838214 /nfs/dbraw/zinc/83/82/14/568838214.db2.gz SBCRLEMCIOQBPN-UNOMPAQXSA-N 0 0 424.269 5.660 50 0 HKAARN O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012469057 568838217 /nfs/dbraw/zinc/83/82/17/568838217.db2.gz LWGBGJWDYRSMMD-UHFFFAOYSA-N 0 0 419.527 5.482 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000012469479 568838014 /nfs/dbraw/zinc/83/80/14/568838014.db2.gz IEPQENMABCSGCU-SXGWCWSVSA-N 0 0 414.263 6.204 50 0 HKAARN Cc1ccsc1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012469927 558421689 /nfs/dbraw/zinc/42/16/89/558421689.db2.gz MQMCNHGOTFXUKO-IBGZPJMESA-N 0 0 418.562 5.006 50 0 HKAARN Cc1ccsc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012469932 558421714 /nfs/dbraw/zinc/42/17/14/558421714.db2.gz MQMCNHGOTFXUKO-LJQANCHMSA-N 0 0 418.562 5.006 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000012469971 568838227 /nfs/dbraw/zinc/83/82/27/568838227.db2.gz BNYFMRMGMKHGDV-UNOMPAQXSA-N 0 0 424.269 5.660 50 0 HKAARN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000012469981 568838228 /nfs/dbraw/zinc/83/82/28/568838228.db2.gz PYHWFQGVTMJSSN-ODLFYWEKSA-N 0 0 423.871 5.950 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470353 558421700 /nfs/dbraw/zinc/42/17/00/558421700.db2.gz IHFKXAWBYDGFOC-LJQANCHMSA-N 0 0 405.523 5.605 50 0 HKAARN COc1ccccc1-c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)c(C)o1 ZINC000012470358 558421791 /nfs/dbraw/zinc/42/17/91/558421791.db2.gz IHFKXAWBYDGFOC-IBGZPJMESA-N 0 0 405.523 5.605 50 0 HKAARN CCCCn1c(SCc2nc(-c3ccccc3)oc2C)nc2ccccc2c1=O ZINC000012470903 568838310 /nfs/dbraw/zinc/83/83/10/568838310.db2.gz MTLYMUXIBLEMCC-UHFFFAOYSA-N 0 0 405.523 5.452 50 0 HKAARN c1sc(-c2ccccn2)nc1CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000012472632 568838479 /nfs/dbraw/zinc/83/84/79/568838479.db2.gz QPOZUBGBOLVVKI-UHFFFAOYSA-N 0 0 418.572 6.169 50 0 HKAARN C=Cc1ccc(C(=O)N2CCC(CCCc3ccccc3)(C(=O)OCC)CC2)cc1 ZINC000012473951 558422348 /nfs/dbraw/zinc/42/23/48/558422348.db2.gz LDBITXFHEXWXEA-UHFFFAOYSA-N 0 0 405.538 5.138 50 0 HKAARN O=C(c1sccc1Cl)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012474746 558422675 /nfs/dbraw/zinc/42/26/75/558422675.db2.gz XIIJGRBNAUKQMZ-GFCCVEGCSA-N 0 0 401.837 5.155 50 0 HKAARN O=C(c1sccc1Cl)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012474749 558422508 /nfs/dbraw/zinc/42/25/08/558422508.db2.gz XIIJGRBNAUKQMZ-LBPRGKRZSA-N 0 0 401.837 5.155 50 0 HKAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(c3ccc4ccccc4n3)C2)c(C)c1 ZINC000012475070 132361039 /nfs/dbraw/zinc/36/10/39/132361039.db2.gz MYVUQNVPHKCQFA-IBGZPJMESA-N 0 0 403.526 5.187 50 0 HKAARN COc1ccc(NC(=O)CC[C@H]2CCCN(c3ccc4ccccc4n3)C2)c(C)c1 ZINC000012475074 536764430 /nfs/dbraw/zinc/76/44/30/536764430.db2.gz MYVUQNVPHKCQFA-LJQANCHMSA-N 0 0 403.526 5.187 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000012475960 568838682 /nfs/dbraw/zinc/83/86/82/568838682.db2.gz HWMCUHAYIXNJJA-UHFFFAOYSA-N 0 0 424.835 5.657 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)CC4=CCCCC4)CC3)cc2)c1 ZINC000012477947 558423229 /nfs/dbraw/zinc/42/32/29/558423229.db2.gz QRGGVDWWDHAFGI-UHFFFAOYSA-N 0 0 416.565 5.730 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000012479907 568838679 /nfs/dbraw/zinc/83/86/79/568838679.db2.gz YIAILKPYLSXMRQ-UHFFFAOYSA-N 0 0 401.413 5.904 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(SCc2csc(-c3ccccn3)n2)n1 ZINC000012479912 568838619 /nfs/dbraw/zinc/83/86/19/568838619.db2.gz GJCYIZWYXBIVPU-UHFFFAOYSA-N 0 0 404.442 5.459 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2ccccc2c1 ZINC000012481770 568838694 /nfs/dbraw/zinc/83/86/94/568838694.db2.gz JUWGIAPVOAPXIW-UHFFFAOYSA-N 0 0 415.320 5.176 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)sc2c1 ZINC000012482114 568838653 /nfs/dbraw/zinc/83/86/53/568838653.db2.gz FQFUNNODSSEWOK-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1OC ZINC000012482303 558423465 /nfs/dbraw/zinc/42/34/65/558423465.db2.gz RACKGBMDHNDFHT-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012482306 568838839 /nfs/dbraw/zinc/83/88/39/568838839.db2.gz JHYPSAJSFBJAIB-UHFFFAOYSA-N 0 0 419.230 5.113 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000012484806 568838836 /nfs/dbraw/zinc/83/88/36/568838836.db2.gz QQOCVVSBGZXUMD-UHFFFAOYSA-N 0 0 418.415 5.082 50 0 HKAARN Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 ZINC000012486493 558423765 /nfs/dbraw/zinc/42/37/65/558423765.db2.gz JMZCHUWAJZOSET-UHFFFAOYSA-N 0 0 401.495 5.063 50 0 HKAARN O=C(CCCSc1nc2ccccc2[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000012486562 568838864 /nfs/dbraw/zinc/83/88/64/568838864.db2.gz BCMYMRRKOJZLCJ-UHFFFAOYSA-N 0 0 401.535 5.341 50 0 HKAARN O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccccc1Br ZINC000012488700 568838853 /nfs/dbraw/zinc/83/88/53/568838853.db2.gz JDIULZOMTXLKOD-UHFFFAOYSA-N 0 0 417.328 5.268 50 0 HKAARN O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccc(Cl)cc1Cl ZINC000012488739 568838844 /nfs/dbraw/zinc/83/88/44/568838844.db2.gz FQEUKTFTUBJDNP-UHFFFAOYSA-N 0 0 407.322 5.813 50 0 HKAARN Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(-c2ccccc2)c1N ZINC000012489110 568838900 /nfs/dbraw/zinc/83/89/00/568838900.db2.gz VMERFPYAXUQMTP-UHFFFAOYSA-N 0 0 411.534 5.599 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc(N3CCCC3)sc2c1 ZINC000012489621 568839071 /nfs/dbraw/zinc/83/90/71/568839071.db2.gz ACPDMMOBDHODSM-UHFFFAOYSA-N 0 0 423.321 5.188 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012495504 568839064 /nfs/dbraw/zinc/83/90/64/568839064.db2.gz KPQJBAGUKHGXBF-GBXCKJPGSA-N 0 0 418.880 5.354 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012495514 568839107 /nfs/dbraw/zinc/83/91/07/568839107.db2.gz KPQJBAGUKHGXBF-HYBUGGRVSA-N 0 0 418.880 5.354 50 0 HKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000012495640 568839054 /nfs/dbraw/zinc/83/90/54/568839054.db2.gz QPYBCKWPRLKFDV-GBXCKJPGSA-N 0 0 418.880 5.354 50 0 HKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000012495650 568839046 /nfs/dbraw/zinc/83/90/46/568839046.db2.gz QPYBCKWPRLKFDV-HYBUGGRVSA-N 0 0 418.880 5.354 50 0 HKAARN Cc1ccc2c(c1)nc(-c1cccnc1)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012497468 568839037 /nfs/dbraw/zinc/83/90/37/568839037.db2.gz CMLMYVSPDSSMAG-UHFFFAOYSA-N 0 0 413.565 6.697 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)N1 ZINC000012500522 568839225 /nfs/dbraw/zinc/83/92/25/568839225.db2.gz MCQWJTZGHRPYDH-NRFANRHFSA-N 0 0 417.921 5.872 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)N1 ZINC000012500526 568839245 /nfs/dbraw/zinc/83/92/45/568839245.db2.gz MCQWJTZGHRPYDH-OAQYLSRUSA-N 0 0 417.921 5.872 50 0 HKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 ZINC000012506072 568839239 /nfs/dbraw/zinc/83/92/39/568839239.db2.gz BKTJRPNOLMJQKE-UHFFFAOYSA-N 0 0 417.469 5.177 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000012508514 568840085 /nfs/dbraw/zinc/84/00/85/568840085.db2.gz KGJOKICUUYNSNI-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN C[C@@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)c1ccncc1 ZINC000012508738 568840134 /nfs/dbraw/zinc/84/01/34/568840134.db2.gz SIJLNVDNBKOYSE-OAHLLOKOSA-N 0 0 405.448 5.318 50 0 HKAARN C[C@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)c1ccncc1 ZINC000012508747 568840080 /nfs/dbraw/zinc/84/00/80/568840080.db2.gz SIJLNVDNBKOYSE-HNNXBMFYSA-N 0 0 405.448 5.318 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012510632 132361117 /nfs/dbraw/zinc/36/11/17/132361117.db2.gz GGRVMDNAJQOIAW-AYHJJNSGSA-N 0 0 402.629 5.228 50 0 HKAARN Cc1cc(CN(C)Cc2cc3cc(C)ccc3nc2OCc2ccccc2C)on1 ZINC000012512153 558423923 /nfs/dbraw/zinc/42/39/23/558423923.db2.gz OJRFINFYRFRPJK-UHFFFAOYSA-N 0 0 401.510 5.359 50 0 HKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1 ZINC000012514167 568840469 /nfs/dbraw/zinc/84/04/69/568840469.db2.gz WMQJWVGNEVETKW-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccccc1 ZINC000012514193 568840459 /nfs/dbraw/zinc/84/04/59/568840459.db2.gz ZGDSZWKCPJYSGM-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(F)cc1 ZINC000012514241 568840458 /nfs/dbraw/zinc/84/04/58/568840458.db2.gz AZELBFJKLPEYQO-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1cccc(F)c1 ZINC000012514249 568840433 /nfs/dbraw/zinc/84/04/33/568840433.db2.gz OTLHYELZDFCUIS-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN CC(C)(C)c1cc(CCC(=O)N2CCC[C@@H]2c2ccncc2)cc(C(C)(C)C)c1O ZINC000012515907 568840639 /nfs/dbraw/zinc/84/06/39/568840639.db2.gz JTIVCBYOHHJGRH-JOCHJYFZSA-N 0 0 408.586 5.679 50 0 HKAARN CC(C)(C)c1cc(CCC(=O)N2CCC[C@H]2c2ccncc2)cc(C(C)(C)C)c1O ZINC000012515910 568840663 /nfs/dbraw/zinc/84/06/63/568840663.db2.gz JTIVCBYOHHJGRH-QFIPXVFZSA-N 0 0 408.586 5.679 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCCCC3)cc2)cs1 ZINC000012516259 568840622 /nfs/dbraw/zinc/84/06/22/568840622.db2.gz ODHBBPBILMITSX-UHFFFAOYSA-N 0 0 421.566 5.663 50 0 HKAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4ccccc4C)cc3[nH]c2=S)c1C ZINC000012516830 568840640 /nfs/dbraw/zinc/84/06/40/568840640.db2.gz AYGYGBLOBAXPIN-UHFFFAOYSA-N 0 0 415.518 5.226 50 0 HKAARN C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516907 568840587 /nfs/dbraw/zinc/84/05/87/568840587.db2.gz BNTDVMCMQKLYCH-QZTJIDSGSA-N 0 0 410.562 5.807 50 0 HKAARN C[C@H](c1nnc(S[C@@H](C)c2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000012516908 568840660 /nfs/dbraw/zinc/84/06/60/568840660.db2.gz BNTDVMCMQKLYCH-MSOLQXFVSA-N 0 0 410.562 5.807 50 0 HKAARN C[C@@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516909 568840574 /nfs/dbraw/zinc/84/05/74/568840574.db2.gz BNTDVMCMQKLYCH-ZWKOTPCHSA-N 0 0 410.562 5.807 50 0 HKAARN C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012516910 568840822 /nfs/dbraw/zinc/84/08/22/568840822.db2.gz BNTDVMCMQKLYCH-ROUUACIJSA-N 0 0 410.562 5.807 50 0 HKAARN C[C@@H](Sc1nnc(N)s1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000012519971 568840900 /nfs/dbraw/zinc/84/09/00/568840900.db2.gz KUYRKSNRRGOARP-LLVKDONJSA-N 0 0 401.948 5.025 50 0 HKAARN C[C@H](Sc1nnc(N)s1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000012519972 568840935 /nfs/dbraw/zinc/84/09/35/568840935.db2.gz KUYRKSNRRGOARP-NSHDSACASA-N 0 0 401.948 5.025 50 0 HKAARN CC(C)CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000012520112 568841006 /nfs/dbraw/zinc/84/10/06/568841006.db2.gz ZCHNJAAQRJQSTH-AWEZNQCLSA-N 0 0 403.498 5.480 50 0 HKAARN CC(C)CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000012520113 568840981 /nfs/dbraw/zinc/84/09/81/568840981.db2.gz ZCHNJAAQRJQSTH-CQSZACIVSA-N 0 0 403.498 5.480 50 0 HKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccccc1OC ZINC000012520275 568841054 /nfs/dbraw/zinc/84/10/54/568841054.db2.gz DRBRKCDBOHDQOU-UHFFFAOYSA-N 0 0 423.460 5.205 50 0 HKAARN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000012520677 568841177 /nfs/dbraw/zinc/84/11/77/568841177.db2.gz GMQGMWPIYGQCNI-UHFFFAOYSA-N 0 0 412.921 5.060 50 0 HKAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000012521823 568841645 /nfs/dbraw/zinc/84/16/45/568841645.db2.gz JYRQAGPNVCMOBT-UHFFFAOYSA-N 0 0 410.473 5.482 50 0 HKAARN CCc1c(C)sc2nc(SCc3cccnc3)n(-c3ccc(OC)cc3)c(=O)c12 ZINC000012521968 568841673 /nfs/dbraw/zinc/84/16/73/568841673.db2.gz FABQHXFOVVFTLR-UHFFFAOYSA-N 0 0 423.563 5.014 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)n1 ZINC000012522052 568842047 /nfs/dbraw/zinc/84/20/47/568842047.db2.gz NZJLUGMHHSAWSJ-OAHLLOKOSA-N 0 0 421.526 5.132 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)n1 ZINC000012522053 568841992 /nfs/dbraw/zinc/84/19/92/568841992.db2.gz NZJLUGMHHSAWSJ-HNNXBMFYSA-N 0 0 421.526 5.132 50 0 HKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012522066 568842074 /nfs/dbraw/zinc/84/20/74/568842074.db2.gz WKNZKYVTONGVBV-UHFFFAOYSA-N 0 0 418.516 5.051 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C(C)(C)C)no3)c2n1 ZINC000012522449 568842217 /nfs/dbraw/zinc/84/22/17/568842217.db2.gz XMYGWFGZPXWOGZ-UHFFFAOYSA-N 0 0 408.285 5.153 50 0 HKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(Cl)c2ncccc12 ZINC000012522532 568842192 /nfs/dbraw/zinc/84/21/92/568842192.db2.gz LCZHAHHTBLLPQV-UHFFFAOYSA-N 0 0 405.841 5.093 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(Nc2ccc(-n3cnc4ccccc43)nc2)n1 ZINC000012522573 568842173 /nfs/dbraw/zinc/84/21/73/568842173.db2.gz RSQOLNZJSQXQAH-UHFFFAOYSA-N 0 0 406.371 5.126 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012522746 568842093 /nfs/dbraw/zinc/84/20/93/568842093.db2.gz HAZJUCZEHGGFDU-UHFFFAOYSA-N 0 0 404.510 6.138 50 0 HKAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000012522955 132361764 /nfs/dbraw/zinc/36/17/64/132361764.db2.gz PELGUIFULHELFB-UHFFFAOYSA-N 0 0 423.557 5.296 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012523044 568842164 /nfs/dbraw/zinc/84/21/64/568842164.db2.gz SQWBHQMGAMXJJY-UHFFFAOYSA-N 0 0 401.432 5.358 50 0 HKAARN COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1cccnc1 ZINC000012523268 523736482 /nfs/dbraw/zinc/73/64/82/523736482.db2.gz PNZMTUQUVQIWOH-QHCPKHFHSA-N 0 0 424.928 5.450 50 0 HKAARN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1cccnc1 ZINC000012523269 568842516 /nfs/dbraw/zinc/84/25/16/568842516.db2.gz PNZMTUQUVQIWOH-HSZRJFAPSA-N 0 0 424.928 5.450 50 0 HKAARN Clc1ccc2nc(CSc3cccc4cccnc43)c(Br)n2c1 ZINC000012523683 568842494 /nfs/dbraw/zinc/84/24/94/568842494.db2.gz RAQHSRANTSWWIO-UHFFFAOYSA-N 0 0 404.720 5.591 50 0 HKAARN O=P1(NCCCn2ccnc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000012523820 568842520 /nfs/dbraw/zinc/84/25/20/568842520.db2.gz GZNDGCYFMZXLMS-UHFFFAOYSA-N 0 0 407.479 5.885 50 0 HKAARN Cc1ccc(OCCn2c3ccccc3nc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000012523875 568842517 /nfs/dbraw/zinc/84/25/17/568842517.db2.gz AKSPSAOSCREVGX-UHFFFAOYSA-N 0 0 405.885 5.329 50 0 HKAARN CCN(CC)[P@]1(=Nc2ccccc2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524177 568842473 /nfs/dbraw/zinc/84/24/73/568842473.db2.gz MBSWVNAXEMQASO-KIQDDBAESA-N 0 0 421.529 6.262 50 0 HKAARN CCN(CC)[P@@]1(=Nc2ccccc2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1C ZINC000012524178 568842513 /nfs/dbraw/zinc/84/25/13/568842513.db2.gz MBSWVNAXEMQASO-PIKQWGIYSA-N 0 0 421.529 6.262 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1)C(C)(C)N2 ZINC000012524243 558424503 /nfs/dbraw/zinc/42/45/03/558424503.db2.gz GKVNNHGPOFNIQT-QOCHGBHMSA-N 0 0 402.972 6.422 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cncc(C(F)(F)F)c3)cc12 ZINC000012524266 568842519 /nfs/dbraw/zinc/84/25/19/568842519.db2.gz ILMQVBMIHJJRJA-UHFFFAOYSA-N 0 0 402.401 5.062 50 0 HKAARN Cc1ccc(NC=C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)cc1 ZINC000012524297 132361710 /nfs/dbraw/zinc/36/17/10/132361710.db2.gz BYOBBQOVYGJUQE-RGEXLXHISA-N 0 0 422.406 5.654 50 0 HKAARN FC(F)Sc1ccc(NC(=S)NN(Cc2ccccc2)c2ccccc2)cc1 ZINC000012524478 568842518 /nfs/dbraw/zinc/84/25/18/568842518.db2.gz HKDHYHYZUSZRME-UHFFFAOYSA-N 0 0 415.534 5.910 50 0 HKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccnc1 ZINC000012524583 569401753 /nfs/dbraw/zinc/40/17/53/569401753.db2.gz AOIYMAOKGFKCFX-DRXLFAFDSA-N 0 0 415.260 7.246 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)COc1ccc(Cl)cc1C ZINC000012524806 568842505 /nfs/dbraw/zinc/84/25/05/568842505.db2.gz RNOWYFULCSZIQY-UHFFFAOYSA-N 0 0 423.875 5.428 50 0 HKAARN Cc1ccccc1Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 ZINC000012524864 568842695 /nfs/dbraw/zinc/84/26/95/568842695.db2.gz SGLGKASJQGMWLT-UHFFFAOYSA-N 0 0 420.357 5.328 50 0 HKAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000012524902 568842704 /nfs/dbraw/zinc/84/27/04/568842704.db2.gz YXORNAFBVLAILL-UHFFFAOYSA-N 0 0 420.357 5.328 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524967 568842674 /nfs/dbraw/zinc/84/26/74/568842674.db2.gz LPIWOQOMKWKKQO-GOSISDBHSA-N 0 0 422.598 5.308 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012524968 568842690 /nfs/dbraw/zinc/84/26/90/568842690.db2.gz LPIWOQOMKWKKQO-SFHVURJKSA-N 0 0 422.598 5.308 50 0 HKAARN CCn1c(SCc2c(-c3ccccc3)nc3ccccn32)nnc1-c1ccoc1C ZINC000012525424 523236611 /nfs/dbraw/zinc/23/66/11/523236611.db2.gz QYAULINFJWLGHC-UHFFFAOYSA-N 0 0 415.522 5.473 50 0 HKAARN COc1ccc2c(c1)c(C(=O)N(C)Cc1nc3ccccc3s1)c(C)n2C1CC1 ZINC000012526565 568843264 /nfs/dbraw/zinc/84/32/64/568843264.db2.gz YJYBDJFRVNFMFP-UHFFFAOYSA-N 0 0 405.523 5.175 50 0 HKAARN COCCCn1c(Sc2cc(C)nc3ccccc32)nnc1-c1ccccc1Cl ZINC000012527406 568843895 /nfs/dbraw/zinc/84/38/95/568843895.db2.gz WPORILFGSCTADM-UHFFFAOYSA-N 0 0 424.957 5.643 50 0 HKAARN CCCCc1noc([C@@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 ZINC000012527643 568843636 /nfs/dbraw/zinc/84/36/36/568843636.db2.gz FTQYRYITJYCJTH-OAHLLOKOSA-N 0 0 409.515 5.415 50 0 HKAARN CCCCc1noc([C@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 ZINC000012527644 568843653 /nfs/dbraw/zinc/84/36/53/568843653.db2.gz FTQYRYITJYCJTH-HNNXBMFYSA-N 0 0 409.515 5.415 50 0 HKAARN FC(F)(F)c1cc(Sc2nnc(-c3ccccc3Cl)o2)c2ccccc2n1 ZINC000012527775 568843798 /nfs/dbraw/zinc/84/37/98/568843798.db2.gz NSZDYRKTUUBNFR-UHFFFAOYSA-N 0 0 407.804 6.108 50 0 HKAARN FC(F)(F)c1ccc(Oc2ccc(Oc3nccc(C(F)(F)F)n3)cc2)nc1 ZINC000012527944 568843744 /nfs/dbraw/zinc/84/37/44/568843744.db2.gz QCBBUYDCMUKDDK-UHFFFAOYSA-N 0 0 401.266 5.494 50 0 HKAARN Cc1cc(OCCCC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)ccc1Cl ZINC000012528388 568843886 /nfs/dbraw/zinc/84/38/86/568843886.db2.gz JSRUKDCLJJZQDJ-UHFFFAOYSA-N 0 0 401.919 5.294 50 0 HKAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 ZINC000012528794 568843852 /nfs/dbraw/zinc/84/38/52/568843852.db2.gz NOUWZYOGXPGLGH-HDICACEKSA-N 0 0 406.551 5.605 50 0 HKAARN O=C(c1ccc(Br)cc1)c1ccc(C(F)(F)F)n2c3ccccc3nc12 ZINC000012529283 568844061 /nfs/dbraw/zinc/84/40/61/568844061.db2.gz CXNNGIPUEMHECX-UHFFFAOYSA-N 0 0 419.200 5.500 50 0 HKAARN Cc1c(=O)c2cc(F)ccc2oc1-c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012529489 568843981 /nfs/dbraw/zinc/84/39/81/568843981.db2.gz YONRRDNLJDHSHL-UHFFFAOYSA-N 0 0 415.851 6.776 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 ZINC000012529720 568844013 /nfs/dbraw/zinc/84/40/13/568844013.db2.gz ILRQGTMHNXYKDL-UHFFFAOYSA-N 0 0 401.491 5.310 50 0 HKAARN O=C(OCc1nc2ccccc2n1C(F)F)c1cc(Br)ccc1Cl ZINC000012530299 568844024 /nfs/dbraw/zinc/84/40/24/568844024.db2.gz XVIJMAYLZWFCTQ-UHFFFAOYSA-N 0 0 415.621 5.204 50 0 HKAARN O=C(CSc1nccn1Cc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000012530915 568844160 /nfs/dbraw/zinc/84/41/60/568844160.db2.gz NFSFURVUMXTVRY-UHFFFAOYSA-N 0 0 413.546 5.253 50 0 HKAARN O=C(COc1cnc2ccccc2n1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000012531793 568844318 /nfs/dbraw/zinc/84/43/18/568844318.db2.gz XXZNJTHDZNFUAJ-UHFFFAOYSA-N 0 0 421.909 5.452 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2n[nH]c3ccccc32)c2ccccc2)cc1Cl ZINC000012532391 568844309 /nfs/dbraw/zinc/84/43/09/568844309.db2.gz CRAPOEDHDLLRLA-NRFANRHFSA-N 0 0 419.868 5.062 50 0 HKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2n[nH]c3ccccc32)c2ccccc2)cc1Cl ZINC000012532393 568844344 /nfs/dbraw/zinc/84/43/44/568844344.db2.gz CRAPOEDHDLLRLA-OAQYLSRUSA-N 0 0 419.868 5.062 50 0 HKAARN Cc1ccc2cc(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(N3CCCCC3)nc2c1 ZINC000012532434 132362031 /nfs/dbraw/zinc/36/20/31/132362031.db2.gz YJWWVLUXCSCJPP-DEDYPNTBSA-N 0 0 403.913 5.680 50 0 HKAARN Clc1ccc(Sc2c(-c3ccc(Br)cc3)nc3ccccn32)cc1 ZINC000012533312 558426087 /nfs/dbraw/zinc/42/60/87/558426087.db2.gz LPFGZCHPJVDIFE-UHFFFAOYSA-N 0 0 415.743 6.568 50 0 HKAARN COc1ccc(OCCOC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000012533460 569291597 /nfs/dbraw/zinc/29/15/97/569291597.db2.gz KZZVLGJSRNSPAN-FTRDYKAISA-N 0 0 420.549 5.464 50 0 HKAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012534046 132362079 /nfs/dbraw/zinc/36/20/79/132362079.db2.gz GDLDFBYOPYPPKC-UHFFFAOYSA-N 0 0 416.399 5.054 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000012534450 568844718 /nfs/dbraw/zinc/84/47/18/568844718.db2.gz XAJBYITVNIJCFN-UHFFFAOYSA-N 0 0 404.495 5.313 50 0 HKAARN O=C(CSc1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000012534752 568844959 /nfs/dbraw/zinc/84/49/59/568844959.db2.gz YOENRXWWOCYAGR-UHFFFAOYSA-N 0 0 400.503 5.545 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@H](C)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000012534972 568844948 /nfs/dbraw/zinc/84/49/48/568844948.db2.gz VHVPWMWJULQNKL-GFCCVEGCSA-N 0 0 419.888 5.827 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@@H](C)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000012534973 568844946 /nfs/dbraw/zinc/84/49/46/568844946.db2.gz VHVPWMWJULQNKL-LBPRGKRZSA-N 0 0 419.888 5.827 50 0 HKAARN COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc(Br)cc2)nc1C ZINC000012535204 568845021 /nfs/dbraw/zinc/84/50/21/568845021.db2.gz SFMSATXYZHOXLS-UHFFFAOYSA-N 0 0 422.282 5.149 50 0 HKAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012535399 568845204 /nfs/dbraw/zinc/84/52/04/568845204.db2.gz WLLVJHMHIDOHJY-UHFFFAOYSA-N 0 0 413.399 5.054 50 0 HKAARN O=C(NCc1ccccc1Cn1ccnc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012535498 568845268 /nfs/dbraw/zinc/84/52/68/568845268.db2.gz ABJZXMIUMKWCCK-DEOSSOPVSA-N 0 0 413.546 5.081 50 0 HKAARN O=C(NCc1ccccc1Cn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012535499 568845305 /nfs/dbraw/zinc/84/53/05/568845305.db2.gz ABJZXMIUMKWCCK-XMMPIXPASA-N 0 0 413.546 5.081 50 0 HKAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F ZINC000012535715 568845210 /nfs/dbraw/zinc/84/52/10/568845210.db2.gz LMEIXNFWUHXPLD-OLZOCXBDSA-N 0 0 406.864 5.548 50 0 HKAARN C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F ZINC000012535716 568845527 /nfs/dbraw/zinc/84/55/27/568845527.db2.gz LMEIXNFWUHXPLD-STQMWFEESA-N 0 0 406.864 5.548 50 0 HKAARN C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F ZINC000012535717 568845486 /nfs/dbraw/zinc/84/54/86/568845486.db2.gz LMEIXNFWUHXPLD-CHWSQXEVSA-N 0 0 406.864 5.548 50 0 HKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000012535718 568845665 /nfs/dbraw/zinc/84/56/65/568845665.db2.gz LMEIXNFWUHXPLD-QWHCGFSZSA-N 0 0 406.864 5.548 50 0 HKAARN Cc1cccc2sc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)nc21 ZINC000012535752 568845627 /nfs/dbraw/zinc/84/56/27/568845627.db2.gz UTENZYCJCFUPAD-UHFFFAOYSA-N 0 0 404.520 5.162 50 0 HKAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F ZINC000012535774 568845683 /nfs/dbraw/zinc/84/56/83/568845683.db2.gz PQFSLMHKHHRNSG-KGLIPLIRSA-N 0 0 412.440 5.641 50 0 HKAARN C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F ZINC000012535775 568845633 /nfs/dbraw/zinc/84/56/33/568845633.db2.gz PQFSLMHKHHRNSG-KBPBESRZSA-N 0 0 412.440 5.641 50 0 HKAARN C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F ZINC000012535776 568845714 /nfs/dbraw/zinc/84/57/14/568845714.db2.gz PQFSLMHKHHRNSG-ZIAGYGMSSA-N 0 0 412.440 5.641 50 0 HKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000012535777 568845645 /nfs/dbraw/zinc/84/56/45/568845645.db2.gz PQFSLMHKHHRNSG-UONOGXRCSA-N 0 0 412.440 5.641 50 0 HKAARN CSc1nncn1-c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000012536554 568845654 /nfs/dbraw/zinc/84/56/54/568845654.db2.gz BJWOBBVVUILTTI-UHFFFAOYSA-N 0 0 420.469 5.173 50 0 HKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000012536645 568845868 /nfs/dbraw/zinc/84/58/68/568845868.db2.gz KAEVUURKTYXOEA-UHFFFAOYSA-N 0 0 424.504 5.534 50 0 HKAARN Clc1ccc(-n2c(SCc3cccnc3)nnc2-c2c[nH]c3ccccc23)cc1 ZINC000012536865 568845998 /nfs/dbraw/zinc/84/59/98/568845998.db2.gz KVKXBIDLSIEFQW-UHFFFAOYSA-N 0 0 417.925 5.756 50 0 HKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(C2SCCS2)c1 ZINC000012536876 568845964 /nfs/dbraw/zinc/84/59/64/568845964.db2.gz OFNLBVGCIPBBJX-UHFFFAOYSA-N 0 0 424.547 5.370 50 0 HKAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000012536905 568845972 /nfs/dbraw/zinc/84/59/72/568845972.db2.gz OGMBTWUDJYDWGU-UHFFFAOYSA-N 0 0 411.461 5.635 50 0 HKAARN CCOc1ccc(-c2nc(CSc3nnc(C)n3-c3ccccc3)cs2)cc1 ZINC000012537078 568845877 /nfs/dbraw/zinc/84/58/77/568845877.db2.gz ZGVHUYWASPJARN-UHFFFAOYSA-N 0 0 408.552 5.390 50 0 HKAARN O=C(Nc1ccc(Cl)c2ncccc12)c1csc(COc2ccc(F)cc2)n1 ZINC000012537601 568846224 /nfs/dbraw/zinc/84/62/24/568846224.db2.gz LITYXFGYHHTZEQ-UHFFFAOYSA-N 0 0 413.861 5.315 50 0 HKAARN COc1ccc(COC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1F ZINC000012537604 568846155 /nfs/dbraw/zinc/84/61/55/568846155.db2.gz NYSDIOIMMFNYOD-FTRDYKAISA-N 0 0 422.540 6.033 50 0 HKAARN COc1ccc2c(C)cc(Oc3ccc(Br)cc3Br)nc2c1 ZINC000012537878 568846357 /nfs/dbraw/zinc/84/63/57/568846357.db2.gz YVUYIVQNSCUPSH-UHFFFAOYSA-N 0 0 423.104 5.869 50 0 HKAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1-c1cccs1 ZINC000012538029 568846332 /nfs/dbraw/zinc/84/63/32/568846332.db2.gz IUSIYNYAALVAMC-UHFFFAOYSA-N 0 0 402.475 5.620 50 0 HKAARN COc1ccc(C(=O)[C@H](Sc2nc3ccccc3n2C)c2ccc(OC)cc2)cc1 ZINC000012538239 568846408 /nfs/dbraw/zinc/84/64/08/568846408.db2.gz SJOIOFIYAZUJMD-HSZRJFAPSA-N 0 0 418.518 5.307 50 0 HKAARN COc1ccc(C(=O)[C@@H](Sc2nc3ccccc3n2C)c2ccc(OC)cc2)cc1 ZINC000012538241 568846327 /nfs/dbraw/zinc/84/63/27/568846327.db2.gz SJOIOFIYAZUJMD-QHCPKHFHSA-N 0 0 418.518 5.307 50 0 HKAARN CC(=O)Nc1cccc(Nc2nnc(SCc3nc4ccccc4s3)s2)c1 ZINC000012538281 568846563 /nfs/dbraw/zinc/84/65/63/568846563.db2.gz MFXLFLIYIAOADG-UHFFFAOYSA-N 0 0 413.553 5.142 50 0 HKAARN Cc1ccc(Nc2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)s2)cc1C ZINC000012538367 568846516 /nfs/dbraw/zinc/84/65/16/568846516.db2.gz ZFPGFAKUAISIOJ-CYBMUJFWSA-N 0 0 410.528 5.197 50 0 HKAARN Cc1ccc(Nc2nnc(S[C@@H](C)c3nc(-c4ccncc4)no3)s2)cc1C ZINC000012538368 568846553 /nfs/dbraw/zinc/84/65/53/568846553.db2.gz ZFPGFAKUAISIOJ-ZDUSSCGKSA-N 0 0 410.528 5.197 50 0 HKAARN COc1ccc(C(=O)Oc2c(C)c(C)c(O)c(C)c2Cc2nc3ccccc3[nH]2)cc1 ZINC000012538461 568846558 /nfs/dbraw/zinc/84/65/58/568846558.db2.gz NSUSRLWQVVKLCQ-UHFFFAOYSA-N 0 0 416.477 5.012 50 0 HKAARN Cc1csc(SCc2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc2)n1 ZINC000012538539 568846507 /nfs/dbraw/zinc/84/65/07/568846507.db2.gz AZVHKOGAMRNVTD-CQSZACIVSA-N 0 0 408.552 5.111 50 0 HKAARN Cc1csc(SCc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc2)n1 ZINC000012538542 568846526 /nfs/dbraw/zinc/84/65/26/568846526.db2.gz AZVHKOGAMRNVTD-AWEZNQCLSA-N 0 0 408.552 5.111 50 0 HKAARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000012538560 568846554 /nfs/dbraw/zinc/84/65/54/568846554.db2.gz VBRHYBUGEBTSAS-UHFFFAOYSA-N 0 0 424.472 5.677 50 0 HKAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012538579 568846717 /nfs/dbraw/zinc/84/67/17/568846717.db2.gz ZICMFEPJMUYEQH-UHFFFAOYSA-N 0 0 419.484 5.914 50 0 HKAARN COc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 ZINC000012538619 568846659 /nfs/dbraw/zinc/84/66/59/568846659.db2.gz GXFDYKIAQMTPNC-UHFFFAOYSA-N 0 0 417.534 5.360 50 0 HKAARN COc1ccccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 ZINC000012538656 568846647 /nfs/dbraw/zinc/84/66/47/568846647.db2.gz QCDDLXSRTPPOEU-UHFFFAOYSA-N 0 0 403.507 5.431 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000012538662 568846714 /nfs/dbraw/zinc/84/67/14/568846714.db2.gz YSCXZBMTBURDKE-UHFFFAOYSA-N 0 0 403.385 5.214 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000012538674 568846636 /nfs/dbraw/zinc/84/66/36/568846636.db2.gz OTDSYHCNVGRBFX-NRFANRHFSA-N 0 0 413.496 5.048 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000012538675 568846723 /nfs/dbraw/zinc/84/67/23/568846723.db2.gz OTDSYHCNVGRBFX-OAQYLSRUSA-N 0 0 413.496 5.048 50 0 HKAARN COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nn2)cc1OC ZINC000012539075 568846547 /nfs/dbraw/zinc/84/65/47/568846547.db2.gz ZJFJEUOXYWQINH-UHFFFAOYSA-N 0 0 408.461 5.371 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)CCCSc3nc4ccccc4[nH]3)n2)cc1C ZINC000012539083 568846482 /nfs/dbraw/zinc/84/64/82/568846482.db2.gz XTJZEBLDLLDQNT-UHFFFAOYSA-N 0 0 422.579 5.814 50 0 HKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2cc(C)c3ccccc3n2)c1 ZINC000012539131 568846699 /nfs/dbraw/zinc/84/66/99/568846699.db2.gz HIDSSXIWUDHUQW-NRFANRHFSA-N 0 0 422.550 5.016 50 0 HKAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2cc(C)c3ccccc3n2)c1 ZINC000012539135 568846672 /nfs/dbraw/zinc/84/66/72/568846672.db2.gz HIDSSXIWUDHUQW-OAQYLSRUSA-N 0 0 422.550 5.016 50 0 HKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1C ZINC000012539270 568846899 /nfs/dbraw/zinc/84/68/99/568846899.db2.gz MDQDQPCOZSJODC-LJQANCHMSA-N 0 0 417.509 5.206 50 0 HKAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1C ZINC000012539272 568846901 /nfs/dbraw/zinc/84/69/01/568846901.db2.gz MDQDQPCOZSJODC-IBGZPJMESA-N 0 0 417.509 5.206 50 0 HKAARN O=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)c1ccco1 ZINC000012539278 568846902 /nfs/dbraw/zinc/84/69/02/568846902.db2.gz BKTVHBCVMUVHDI-UHFFFAOYSA-N 0 0 423.900 5.072 50 0 HKAARN Cc1ccc(C)c(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000012539284 568846823 /nfs/dbraw/zinc/84/68/23/568846823.db2.gz HOYPDZHGHBUWTN-UHFFFAOYSA-N 0 0 417.509 5.035 50 0 HKAARN Cc1cccc(C)c1OCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000012539292 568846875 /nfs/dbraw/zinc/84/68/75/568846875.db2.gz SOEPBTMDDNOJJQ-UHFFFAOYSA-N 0 0 417.509 5.035 50 0 HKAARN CN(Cc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000012539302 558426764 /nfs/dbraw/zinc/42/67/64/558426764.db2.gz KTKGUFOFDJOHGU-UHFFFAOYSA-N 0 0 423.900 5.024 50 0 HKAARN COc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccccc2)cc1Cl ZINC000012539387 568846915 /nfs/dbraw/zinc/84/69/15/568846915.db2.gz HHYIJCFTQWZGNL-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN Cc1cccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1C ZINC000012539624 568847072 /nfs/dbraw/zinc/84/70/72/568847072.db2.gz CERHZBCZJZGSIX-UHFFFAOYSA-N 0 0 417.509 5.035 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539662 568847095 /nfs/dbraw/zinc/84/70/95/568847095.db2.gz QDAOGJPFLZYGNX-NRFANRHFSA-N 0 0 413.496 5.048 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012539664 568847013 /nfs/dbraw/zinc/84/70/13/568847013.db2.gz QDAOGJPFLZYGNX-OAQYLSRUSA-N 0 0 413.496 5.048 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012539705 568847052 /nfs/dbraw/zinc/84/70/52/568847052.db2.gz YYQZAYFAJRHCOQ-NRFANRHFSA-N 0 0 413.496 5.048 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012539707 568847066 /nfs/dbraw/zinc/84/70/66/568847066.db2.gz YYQZAYFAJRHCOQ-OAQYLSRUSA-N 0 0 413.496 5.048 50 0 HKAARN Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000012539729 568847037 /nfs/dbraw/zinc/84/70/37/568847037.db2.gz JSOSVNATEHNFAR-UHFFFAOYSA-N 0 0 417.509 5.070 50 0 HKAARN Cc1nc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)ccc2n1-c1ccccc1 ZINC000012539920 568847163 /nfs/dbraw/zinc/84/71/63/568847163.db2.gz CTOSFRJOOLPENN-UHFFFAOYSA-N 0 0 404.853 5.027 50 0 HKAARN O=C(CCSCc1cn2ccccc2n1)Nc1ccccc1Cc1ccccc1 ZINC000012539938 568847274 /nfs/dbraw/zinc/84/72/74/568847274.db2.gz WIRYYDNHXYTUKV-UHFFFAOYSA-N 0 0 401.535 5.187 50 0 HKAARN CCOc1ccc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000012539982 568847247 /nfs/dbraw/zinc/84/72/47/568847247.db2.gz HEJFRCFMFRKGKJ-UHFFFAOYSA-N 0 0 416.546 5.653 50 0 HKAARN Cc1cc(C)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(C)c1 ZINC000012540097 568847313 /nfs/dbraw/zinc/84/73/13/568847313.db2.gz XZGKOAMAOXXWND-UHFFFAOYSA-N 0 0 401.535 5.804 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000012540118 568847222 /nfs/dbraw/zinc/84/72/22/568847222.db2.gz RHLJVVMVCBUARK-UHFFFAOYSA-N 0 0 407.926 5.841 50 0 HKAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccs1 ZINC000012540120 568847282 /nfs/dbraw/zinc/84/72/82/568847282.db2.gz LPAYBSADVKDPND-KRWDZBQOSA-N 0 0 401.413 5.163 50 0 HKAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccs1 ZINC000012540122 568847251 /nfs/dbraw/zinc/84/72/51/568847251.db2.gz LPAYBSADVKDPND-QGZVFWFLSA-N 0 0 401.413 5.163 50 0 HKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3Oc3ccccc3)nc2c1 ZINC000012540149 568847298 /nfs/dbraw/zinc/84/72/98/568847298.db2.gz NCLGMLWAPLIYIL-UHFFFAOYSA-N 0 0 419.506 5.485 50 0 HKAARN Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1cccs1 ZINC000012540153 568847168 /nfs/dbraw/zinc/84/71/68/568847168.db2.gz 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568848540 /nfs/dbraw/zinc/84/85/40/568848540.db2.gz YBNAGAAIQBVRJG-SFHVURJKSA-N 0 0 401.691 5.017 50 0 HKAARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccc1Br ZINC000012540776 568848571 /nfs/dbraw/zinc/84/85/71/568848571.db2.gz YBNAGAAIQBVRJG-GOSISDBHSA-N 0 0 401.691 5.017 50 0 HKAARN Cc1ccc(-c2nc(SCC(=O)NCC(F)(F)F)[nH]c2-c2ccc(C)cc2)cc1 ZINC000012541392 568848536 /nfs/dbraw/zinc/84/85/36/568848536.db2.gz XPOVRSBFKBMPCW-UHFFFAOYSA-N 0 0 419.472 5.131 50 0 HKAARN Cc1cc(C)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 ZINC000012541635 568848751 /nfs/dbraw/zinc/84/87/51/568848751.db2.gz BISJZXOHNOCECZ-UHFFFAOYSA-N 0 0 423.896 5.853 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012541826 568848793 /nfs/dbraw/zinc/84/87/93/568848793.db2.gz FATHWVPPKVDVRP-UHFFFAOYSA-N 0 0 409.511 5.255 50 0 HKAARN c1ccc(CCn2c3ccccc3nc2SCc2nnc(-c3ccccc3)o2)cc1 ZINC000012542007 526468478 /nfs/dbraw/zinc/46/84/78/526468478.db2.gz FHWQMKPLFLAYFB-UHFFFAOYSA-N 0 0 412.518 5.621 50 0 HKAARN O=C(Nc1nc2ccccc2[nH]1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000012542038 527514884 /nfs/dbraw/zinc/51/48/84/527514884.db2.gz CMXIIMXCYYTPGP-UHFFFAOYSA-N 0 0 413.502 5.995 50 0 HKAARN C[C@@H](OC(=O)C=Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012542233 560781940 /nfs/dbraw/zinc/78/19/40/560781940.db2.gz VXAUKQZDKFRCCZ-KEQVLUGWSA-N 0 0 402.437 5.413 50 0 HKAARN C[C@H](OC(=O)C=Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012542234 560782014 /nfs/dbraw/zinc/78/20/14/560782014.db2.gz VXAUKQZDKFRCCZ-LULHVWEPSA-N 0 0 402.437 5.413 50 0 HKAARN O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000012542318 568848795 /nfs/dbraw/zinc/84/87/95/568848795.db2.gz VYZLGTMQJGVUGL-UHFFFAOYSA-N 0 0 423.335 5.656 50 0 HKAARN CCCN(CC(=O)Nc1ccccc1OC)Cc1csc(Nc2ccccc2C)n1 ZINC000012542485 568848938 /nfs/dbraw/zinc/84/89/38/568848938.db2.gz GGARKTSIIHEXGP-UHFFFAOYSA-N 0 0 424.570 5.054 50 0 HKAARN COc1cccc(NCc2nnc(SCc3cscn3)n2C2CCCCC2)c1 ZINC000012543155 568848950 /nfs/dbraw/zinc/84/89/50/568848950.db2.gz CFRDFWFPIAPWDD-UHFFFAOYSA-N 0 0 415.588 5.153 50 0 HKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4cccnc4)n3C3CC3)cs2)cc1 ZINC000012543241 568849170 /nfs/dbraw/zinc/84/91/70/568849170.db2.gz JKDGBLIVRFVRNR-UHFFFAOYSA-N 0 0 420.567 5.476 50 0 HKAARN Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C3CCCC3)cc2)cs1 ZINC000012543341 568849294 /nfs/dbraw/zinc/84/92/94/568849294.db2.gz OXVJYRKFKBVPOQ-HSZRJFAPSA-N 0 0 419.550 5.540 50 0 HKAARN Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3C3CCCC3)cc2)cs1 ZINC000012543342 568849274 /nfs/dbraw/zinc/84/92/74/568849274.db2.gz OXVJYRKFKBVPOQ-QHCPKHFHSA-N 0 0 419.550 5.540 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(CNc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000012544030 568849355 /nfs/dbraw/zinc/84/93/55/568849355.db2.gz ZAFAYRNXQGCEEO-UHFFFAOYSA-N 0 0 421.500 5.803 50 0 HKAARN Cc1ccsc1CN(C)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S ZINC000012544041 568849311 /nfs/dbraw/zinc/84/93/11/568849311.db2.gz JCIGODJVELQJTE-UHFFFAOYSA-N 0 0 421.595 5.233 50 0 HKAARN O=C(Oc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1)c1ccccc1 ZINC000012544130 568849300 /nfs/dbraw/zinc/84/93/00/568849300.db2.gz OKUYAYXZMIWTFW-UHFFFAOYSA-N 0 0 401.465 6.788 50 0 HKAARN Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000012544384 568849690 /nfs/dbraw/zinc/84/96/90/568849690.db2.gz QQBJBECTLBDRBQ-CYBMUJFWSA-N 0 0 421.353 5.310 50 0 HKAARN Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000012544385 568849701 /nfs/dbraw/zinc/84/97/01/568849701.db2.gz QQBJBECTLBDRBQ-ZDUSSCGKSA-N 0 0 421.353 5.310 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 ZINC000012544561 568849882 /nfs/dbraw/zinc/84/98/82/568849882.db2.gz OTMPLYSRSOSPOK-UHFFFAOYSA-N 0 0 413.521 5.599 50 0 HKAARN Cc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2nc3n(c2n1)CCCCC3 ZINC000012544714 568849838 /nfs/dbraw/zinc/84/98/38/568849838.db2.gz RCKXOWCLACCUQM-UHFFFAOYSA-N 0 0 424.595 5.197 50 0 HKAARN O=c1c2c(-c3ccco3)csc2nc(SCc2cccnc2)n1-c1ccccc1 ZINC000012545646 568850180 /nfs/dbraw/zinc/85/01/80/568850180.db2.gz ZGGJFPKRSRXFEL-UHFFFAOYSA-N 0 0 417.515 5.395 50 0 HKAARN CCCn1c2ccccc2nc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000012546266 568850617 /nfs/dbraw/zinc/85/06/17/568850617.db2.gz LFBSOHATIUAQCL-UHFFFAOYSA-N 0 0 412.518 5.975 50 0 HKAARN Cc1cc(C(=O)CSc2nc3ccccc3n2CC(C)C)c(C)n1-c1nccs1 ZINC000012546401 568850512 /nfs/dbraw/zinc/85/05/12/568850512.db2.gz IFRFIOFRZSKOBY-UHFFFAOYSA-N 0 0 424.595 5.531 50 0 HKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000012546403 568850561 /nfs/dbraw/zinc/85/05/61/568850561.db2.gz KCHNUFSHAYVGOK-UHFFFAOYSA-N 0 0 409.411 5.285 50 0 HKAARN CSCC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000012546417 568850571 /nfs/dbraw/zinc/85/05/71/568850571.db2.gz OMXSJDFVDJNXJC-KRWDZBQOSA-N 0 0 408.354 5.023 50 0 HKAARN CSCC[C@H](NC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2[nH]1 ZINC000012546435 568850564 /nfs/dbraw/zinc/85/05/64/568850564.db2.gz VUAKSWCAYUYSQM-HNNXBMFYSA-N 0 0 415.971 5.655 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000012546457 568850558 /nfs/dbraw/zinc/85/05/58/568850558.db2.gz PPZJGPLCISUFLM-UHFFFAOYSA-N 0 0 416.531 5.747 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012546459 568850624 /nfs/dbraw/zinc/85/06/24/568850624.db2.gz ISLIDAXCJNGPGJ-UHFFFAOYSA-N 0 0 416.531 5.747 50 0 HKAARN COc1ccccc1C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000012546519 568850752 /nfs/dbraw/zinc/85/07/52/568850752.db2.gz WOMHXFHNYZWGBU-UHFFFAOYSA-N 0 0 422.937 5.722 50 0 HKAARN OC12C[C@@H]3C[C@H](C1)CC(c1cc(-c4ccccc4Cl)c4cc(Cl)ccc4n1)(C3)C2 ZINC000012546687 568850748 /nfs/dbraw/zinc/85/07/48/568850748.db2.gz DYYSEIBEBCYWQM-MEYXOBLXSA-N 0 0 424.371 6.791 50 0 HKAARN Cc1ccc(-c2c3c4c(sc3nc3c2CSc2ccc(F)cc2-3)CCCC4)cc1 ZINC000012546856 568850949 /nfs/dbraw/zinc/85/09/49/568850949.db2.gz WRVNOQVTRNZCPJ-UHFFFAOYSA-N 0 0 417.574 7.562 50 0 HKAARN COc1ccc2c(C)cc(SCC(=O)c3ccc(NC(=O)CC(C)C)cc3)nc2c1 ZINC000012546964 568850838 /nfs/dbraw/zinc/85/08/38/568850838.db2.gz FDJIDSVKELPWGY-UHFFFAOYSA-N 0 0 422.550 5.511 50 0 HKAARN COc1ccc2c(c1)nc(SCC(=O)N1CCCCCC1)cc2-c1ccccc1 ZINC000012547065 568850873 /nfs/dbraw/zinc/85/08/73/568850873.db2.gz PAMLMZIMNPOYLJ-UHFFFAOYSA-N 0 0 406.551 5.405 50 0 HKAARN Brc1ccc(-c2oc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012547144 568850920 /nfs/dbraw/zinc/85/09/20/568850920.db2.gz NERIYVMKPWPUJX-UHFFFAOYSA-N 0 0 415.290 6.919 50 0 HKAARN CCc1sc(-c2nnc(CSc3nc(C)c(Cc4ccccc4)[nH]3)o2)cc1C ZINC000012547411 568851532 /nfs/dbraw/zinc/85/15/32/568851532.db2.gz SXYYBHGFTMJYOJ-UHFFFAOYSA-N 0 0 410.568 5.584 50 0 HKAARN CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000012547510 568851445 /nfs/dbraw/zinc/85/14/45/568851445.db2.gz WIMACSYHYGKRPM-UHFFFAOYSA-N 0 0 400.507 5.345 50 0 HKAARN CCCOc1ccccc1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000012547599 568850817 /nfs/dbraw/zinc/85/08/17/568850817.db2.gz MUTGOIHLBLXTKG-UHFFFAOYSA-N 0 0 415.493 5.263 50 0 HKAARN Cc1c(-c2ccccc2)sc2ncnc(N[C@H](c3nccn3C)c3ccccc3)c12 ZINC000012547619 568850935 /nfs/dbraw/zinc/85/09/35/568850935.db2.gz GIOSQFUDQWAJQQ-FQEVSTJZSA-N 0 0 411.534 5.602 50 0 HKAARN Cc1c(-c2ccccc2)sc2ncnc(N[C@@H](c3nccn3C)c3ccccc3)c12 ZINC000012547620 568851124 /nfs/dbraw/zinc/85/11/24/568851124.db2.gz GIOSQFUDQWAJQQ-HXUWFJFHSA-N 0 0 411.534 5.602 50 0 HKAARN CCc1sc(-c2nnc(CSc3nccn3-c3ccc(OC)cc3)o2)cc1C ZINC000012547788 568850975 /nfs/dbraw/zinc/85/09/75/568850975.db2.gz MIOMJAFNKYZGNE-UHFFFAOYSA-N 0 0 412.540 5.156 50 0 HKAARN COc1ccc(C(=O)C2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000012548090 568851329 /nfs/dbraw/zinc/85/13/29/568851329.db2.gz OCVWWAIQWUGJDS-HNNXBMFYSA-N 0 0 413.468 5.096 50 0 HKAARN COc1ccc(C(=O)C2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000012548091 568851309 /nfs/dbraw/zinc/85/13/09/568851309.db2.gz OCVWWAIQWUGJDS-OAHLLOKOSA-N 0 0 413.468 5.096 50 0 HKAARN Cc1nc(NC(=O)CC(c2ccccc2)c2ccccc2)sc1-c1nccn1C ZINC000012548101 568851207 /nfs/dbraw/zinc/85/12/07/568851207.db2.gz DAUIOXLQVYIYFY-UHFFFAOYSA-N 0 0 402.523 5.013 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000012548165 568851291 /nfs/dbraw/zinc/85/12/91/568851291.db2.gz AJFKTHUUTANMJR-UHFFFAOYSA-N 0 0 411.914 5.130 50 0 HKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000012548299 568851362 /nfs/dbraw/zinc/85/13/62/568851362.db2.gz CHKRZSGMCDDKCN-UHFFFAOYSA-N 0 0 421.932 5.401 50 0 HKAARN O=C1C[C@@H](c2cccc(C(F)(F)F)c2)n2c3ccccc3nc2N1Cc1ccccc1 ZINC000012548803 568851813 /nfs/dbraw/zinc/85/18/13/568851813.db2.gz CIHSXXMXMOEHAY-NRFANRHFSA-N 0 0 421.422 5.581 50 0 HKAARN O=C1C[C@H](c2cccc(C(F)(F)F)c2)n2c3ccccc3nc2N1Cc1ccccc1 ZINC000012548805 568851849 /nfs/dbraw/zinc/85/18/49/568851849.db2.gz CIHSXXMXMOEHAY-OAQYLSRUSA-N 0 0 421.422 5.581 50 0 HKAARN COc1cccc(Nc2nc(-c3ccc(CNC(=O)C(C)(C)C)s3)cs2)c1 ZINC000012549212 568851801 /nfs/dbraw/zinc/85/18/01/568851801.db2.gz NAWAKYWVXQBQRF-UHFFFAOYSA-N 0 0 401.557 5.286 50 0 HKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4ccncc4)n3C3CC3)cs2)cc1 ZINC000012549331 568852299 /nfs/dbraw/zinc/85/22/99/568852299.db2.gz DESIOKPXHBILGX-UHFFFAOYSA-N 0 0 420.567 5.476 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3N3CCCCC3)cs2)cc1 ZINC000012549426 132363028 /nfs/dbraw/zinc/36/30/28/132363028.db2.gz GAPUUAGETJHLKD-UHFFFAOYSA-N 0 0 421.566 5.202 50 0 HKAARN Cc1ccc(NC(=O)Cc2nc(CSc3cc(C)c4ccccc4n3)cs2)cc1 ZINC000012550336 568852910 /nfs/dbraw/zinc/85/29/10/568852910.db2.gz ZIEZIOAWQUZZGL-UHFFFAOYSA-N 0 0 419.575 5.782 50 0 HKAARN C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012550495 568853240 /nfs/dbraw/zinc/85/32/40/568853240.db2.gz QEZKYQPUTRKAFB-GFCCVEGCSA-N 0 0 420.412 5.013 50 0 HKAARN C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012550497 568853230 /nfs/dbraw/zinc/85/32/30/568853230.db2.gz QEZKYQPUTRKAFB-LBPRGKRZSA-N 0 0 420.412 5.013 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012550978 568853054 /nfs/dbraw/zinc/85/30/54/568853054.db2.gz VCQHBBZXMHPPHA-UHFFFAOYSA-N 0 0 415.496 5.816 50 0 HKAARN Cc1c2ccccc2oc1-c1nc2ccccc2c(-c2ccccc2)c1Br ZINC000012551025 568853122 /nfs/dbraw/zinc/85/31/22/568853122.db2.gz AVYSCIRGEDRFAH-UHFFFAOYSA-N 0 0 414.302 7.386 50 0 HKAARN CC(C)n1c2ccccc2nc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012551054 132363055 /nfs/dbraw/zinc/36/30/55/132363055.db2.gz JEEJLUVKWXFAAL-UHFFFAOYSA-N 0 0 408.571 5.338 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(Br)c1 ZINC000012551070 568853139 /nfs/dbraw/zinc/85/31/39/568853139.db2.gz NAOJOEYMUVGWDV-UHFFFAOYSA-N 0 0 410.724 5.018 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(C2SCCS2)cc1 ZINC000012551303 568853450 /nfs/dbraw/zinc/85/34/50/568853450.db2.gz YRDWPDDQTILQKQ-UHFFFAOYSA-N 0 0 417.559 5.961 50 0 HKAARN Cn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012551317 568853461 /nfs/dbraw/zinc/85/34/61/568853461.db2.gz DKLUKLBDTSSCDT-UHFFFAOYSA-N 0 0 423.517 5.261 50 0 HKAARN Cc1ccc(-c2cn(-c3ccccc3)c(Sc3nnnn3-c3ccccc3)n2)cc1C ZINC000012551356 568853662 /nfs/dbraw/zinc/85/36/62/568853662.db2.gz QFOCUTBFPXXASL-UHFFFAOYSA-N 0 0 424.533 5.283 50 0 HKAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(C)ccc4[nH]3)cs2)cc1 ZINC000012551510 568853620 /nfs/dbraw/zinc/85/36/20/568853620.db2.gz QHDXRMCOWGRJCT-UHFFFAOYSA-N 0 0 408.552 5.110 50 0 HKAARN FC(F)Oc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 ZINC000012551579 558427015 /nfs/dbraw/zinc/42/70/15/558427015.db2.gz QVKPEGJQGUTDMY-DTQAZKPQSA-N 0 0 419.456 6.363 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012552094 568854031 /nfs/dbraw/zinc/85/40/31/568854031.db2.gz OWNLRGBCOKSUDU-UHFFFAOYSA-N 0 0 419.264 5.370 50 0 HKAARN Cc1cnc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c32)CCC4)s1 ZINC000012552355 568854154 /nfs/dbraw/zinc/85/41/54/568854154.db2.gz NNMUWVZLBWITKV-UHFFFAOYSA-N 0 0 424.576 5.348 50 0 HKAARN COc1ccc(Nc2ccccc2NC(=O)Cc2coc3cc(OC)ccc23)cc1 ZINC000012552672 568854404 /nfs/dbraw/zinc/85/44/04/568854404.db2.gz BFPMPBOQXOYAGW-UHFFFAOYSA-N 0 0 402.450 5.375 50 0 HKAARN Cc1nc2ccccc2c(C)c1CC(=O)OCCOc1cc(Cl)ccc1Cl ZINC000012552675 568854369 /nfs/dbraw/zinc/85/43/69/568854369.db2.gz KQFPBCMTWBUUOR-UHFFFAOYSA-N 0 0 404.293 5.323 50 0 HKAARN CSc1ccc(CN(C)Cn2nc(Nc3ccccc3C)sc2=S)cc1 ZINC000012552736 568854415 /nfs/dbraw/zinc/85/44/15/568854415.db2.gz ZCVIQSPIMWIARH-UHFFFAOYSA-N 0 0 402.614 5.538 50 0 HKAARN S=c1n(CN(Cc2ccncc2)C2CC2)nc(-c2cccs2)n1-c1ccccc1 ZINC000012552906 568854222 /nfs/dbraw/zinc/85/42/22/568854222.db2.gz UCRORZSCRCKNCQ-UHFFFAOYSA-N 0 0 419.579 5.149 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2oc1-c1ccccc1 ZINC000012552942 568854166 /nfs/dbraw/zinc/85/41/66/568854166.db2.gz GJEQFHYWRFKYHB-UHFFFAOYSA-N 0 0 401.437 5.180 50 0 HKAARN O=c1nc(CSc2ncccc2Cl)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000012553051 568854224 /nfs/dbraw/zinc/85/42/24/568854224.db2.gz AIBDGACSGMVDRG-UHFFFAOYSA-N 0 0 403.891 5.131 50 0 HKAARN CC(C)N(C(=O)CSc1ccc(F)c(F)c1)c1ccc(Nc2ccccc2)cc1 ZINC000012553138 568854593 /nfs/dbraw/zinc/85/45/93/568854593.db2.gz MLHDUQIAYYDVPB-UHFFFAOYSA-N 0 0 412.505 6.242 50 0 HKAARN CCOc1ccc(-n2c(SCC(C)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000012553493 568854759 /nfs/dbraw/zinc/85/47/59/568854759.db2.gz APDIZDDFUHTGDI-UHFFFAOYSA-N 0 0 409.555 5.312 50 0 HKAARN CC(=O)Nc1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)c(C(F)(F)F)c1 ZINC000012553763 568854723 /nfs/dbraw/zinc/85/47/23/568854723.db2.gz VOEHOHAMNYGXSB-UHFFFAOYSA-N 0 0 409.795 5.584 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000012553897 568854913 /nfs/dbraw/zinc/85/49/13/568854913.db2.gz AEDDAGGQALINPB-UHFFFAOYSA-N 0 0 422.484 5.922 50 0 HKAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cc(Cl)sc1Cl ZINC000012553901 568854935 /nfs/dbraw/zinc/85/49/35/568854935.db2.gz HGUUSEMIZGBUHT-UHFFFAOYSA-N 0 0 410.351 5.488 50 0 HKAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554122 568854849 /nfs/dbraw/zinc/85/48/49/568854849.db2.gz AEJQXUOHVDFWLI-GOSISDBHSA-N 0 0 423.504 5.143 50 0 HKAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554123 568854922 /nfs/dbraw/zinc/85/49/22/568854922.db2.gz AEJQXUOHVDFWLI-SFHVURJKSA-N 0 0 423.504 5.143 50 0 HKAARN COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000012554251 568854950 /nfs/dbraw/zinc/85/49/50/568854950.db2.gz NYKOUMODJAJEHJ-HNNXBMFYSA-N 0 0 423.900 5.040 50 0 HKAARN COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000012554253 568854970 /nfs/dbraw/zinc/85/49/70/568854970.db2.gz NYKOUMODJAJEHJ-OAHLLOKOSA-N 0 0 423.900 5.040 50 0 HKAARN CC[C@@H](C)c1ccc(-c2csc(Cc3nnc4n3-c3ccccc3SC4)n2)cc1 ZINC000012554622 568855150 /nfs/dbraw/zinc/85/51/50/568855150.db2.gz MAGHKXNUWYMOKF-OAHLLOKOSA-N 0 0 418.591 6.101 50 0 HKAARN CC[C@H](C)c1ccc(-c2csc(Cc3nnc4n3-c3ccccc3SC4)n2)cc1 ZINC000012554623 568855038 /nfs/dbraw/zinc/85/50/38/568855038.db2.gz MAGHKXNUWYMOKF-HNNXBMFYSA-N 0 0 418.591 6.101 50 0 HKAARN COc1ccc(Nc2ccc(NC(=O)CCc3cccc(OC)c3OC)cc2)cc1 ZINC000012554886 568855214 /nfs/dbraw/zinc/85/52/14/568855214.db2.gz RRXZMCRMMQWXID-UHFFFAOYSA-N 0 0 406.482 5.027 50 0 HKAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012554934 132363506 /nfs/dbraw/zinc/36/35/06/132363506.db2.gz OWDGVULYQGWGPS-UHFFFAOYSA-N 0 0 405.498 5.113 50 0 HKAARN O=C(NCCc1ccccn1)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000012555134 568855276 /nfs/dbraw/zinc/85/52/76/568855276.db2.gz VMJNKYMCRVWFPC-UHFFFAOYSA-N 0 0 403.485 5.423 50 0 HKAARN Ic1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012555137 568855231 /nfs/dbraw/zinc/85/52/31/568855231.db2.gz JOYVLWHBAWDLNC-LJQANCHMSA-N 0 0 423.257 5.280 50 0 HKAARN Ic1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012555138 568855254 /nfs/dbraw/zinc/85/52/54/568855254.db2.gz JOYVLWHBAWDLNC-IBGZPJMESA-N 0 0 423.257 5.280 50 0 HKAARN CCOc1ccc2nc(SCc3cn4cc(Br)ccc4n3)sc2c1 ZINC000012555259 568855233 /nfs/dbraw/zinc/85/52/33/568855233.db2.gz GHBOLBYEQQRRLG-UHFFFAOYSA-N 0 0 420.357 5.398 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 ZINC000012555410 568855423 /nfs/dbraw/zinc/85/54/23/568855423.db2.gz WYZQNHPADLUVGE-DEOSSOPVSA-N 0 0 402.494 5.257 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 ZINC000012555411 568855416 /nfs/dbraw/zinc/85/54/16/568855416.db2.gz WYZQNHPADLUVGE-XMMPIXPASA-N 0 0 402.494 5.257 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)c1 ZINC000012555418 568855426 /nfs/dbraw/zinc/85/54/26/568855426.db2.gz XUGKPRBIDDUQNX-UHFFFAOYSA-N 0 0 401.535 5.682 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(C(F)(F)F)cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000012555803 568855432 /nfs/dbraw/zinc/85/54/32/568855432.db2.gz VPMLCAPXNLPIKP-NZQKXSOJSA-N 0 0 424.422 5.956 50 0 HKAARN COc1cccc2c1O[C@H](c1ccc(C(F)(F)F)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000012555805 568855425 /nfs/dbraw/zinc/85/54/25/568855425.db2.gz VPMLCAPXNLPIKP-NFBKMPQASA-N 0 0 424.422 5.956 50 0 HKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000012556281 568856034 /nfs/dbraw/zinc/85/60/34/568856034.db2.gz LRPBEWBKKWIVOG-UHFFFAOYSA-N 0 0 411.530 6.052 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000012556346 568855645 /nfs/dbraw/zinc/85/56/45/568855645.db2.gz NXFZJUNPDLQKNU-UHFFFAOYSA-N 0 0 405.567 5.245 50 0 HKAARN CCCOc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 ZINC000012556571 568855814 /nfs/dbraw/zinc/85/58/14/568855814.db2.gz DEYRIIRAXLEUMC-UHFFFAOYSA-N 0 0 415.493 5.263 50 0 HKAARN C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000012556898 568856041 /nfs/dbraw/zinc/85/60/41/568856041.db2.gz VBYHHGQYQFIFQK-NSHDSACASA-N 0 0 412.267 5.201 50 0 HKAARN C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F ZINC000012556899 568856054 /nfs/dbraw/zinc/85/60/54/568856054.db2.gz VBYHHGQYQFIFQK-LLVKDONJSA-N 0 0 412.267 5.201 50 0 HKAARN CSCC[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2[nH]1 ZINC000012556905 568855954 /nfs/dbraw/zinc/85/59/54/568855954.db2.gz PUUHMPNQJNEVBM-CQSZACIVSA-N 0 0 400.857 5.536 50 0 HKAARN CSCC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nc2ccccc2[nH]1 ZINC000012556906 568855986 /nfs/dbraw/zinc/85/59/86/568855986.db2.gz PUUHMPNQJNEVBM-AWEZNQCLSA-N 0 0 400.857 5.536 50 0 HKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C ZINC000012557846 568856451 /nfs/dbraw/zinc/85/64/51/568856451.db2.gz VIBDARWMFNBTMS-FQEVSTJZSA-N 0 0 415.324 5.051 50 0 HKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C ZINC000012557847 568856510 /nfs/dbraw/zinc/85/65/10/568856510.db2.gz VIBDARWMFNBTMS-HXUWFJFHSA-N 0 0 415.324 5.051 50 0 HKAARN c1c(-c2ccccc2)sc2ncnc(Sc3nnc4[nH]c5ccccc5n43)c12 ZINC000012557965 568856423 /nfs/dbraw/zinc/85/64/23/568856423.db2.gz WAHPFHQMKFVQPF-UHFFFAOYSA-N 0 0 400.492 5.034 50 0 HKAARN Cc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2N2CCCC2)cc1 ZINC000012558368 568856739 /nfs/dbraw/zinc/85/67/39/568856739.db2.gz LAMWRWADILWWSR-UHFFFAOYSA-N 0 0 407.568 5.078 50 0 HKAARN C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@H]2C1 ZINC000012558901 568856936 /nfs/dbraw/zinc/85/69/36/568856936.db2.gz DBOVRNHDBFCWEW-DSOHFVAKSA-N 0 0 419.575 5.887 50 0 HKAARN C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@@H]2C1 ZINC000012558904 568856928 /nfs/dbraw/zinc/85/69/28/568856928.db2.gz DBOVRNHDBFCWEW-VYWQRKLJSA-N 0 0 419.575 5.887 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000012558934 568856933 /nfs/dbraw/zinc/85/69/33/568856933.db2.gz VOEFFZTVDCCQKE-UHFFFAOYSA-N 0 0 415.202 5.842 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000012558935 568856939 /nfs/dbraw/zinc/85/69/39/568856939.db2.gz FOOQUBUBOCWPMM-UHFFFAOYSA-N 0 0 414.309 5.554 50 0 HKAARN O=c1[nH]c(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)nc2ccccc21 ZINC000012559060 568856929 /nfs/dbraw/zinc/85/69/29/568856929.db2.gz YQTMAMACYFARPO-UHFFFAOYSA-N 0 0 422.560 5.396 50 0 HKAARN c1ccc(-c2ccccc2O[C@H]2OCCO[C@H]2Oc2ccccc2-c2ccccc2)cc1 ZINC000012559191 558427658 /nfs/dbraw/zinc/42/76/58/558427658.db2.gz YAXDSMYNNBMXKF-HNRBIFIRSA-N 0 0 424.496 6.177 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000012559237 568856938 /nfs/dbraw/zinc/85/69/38/568856938.db2.gz MTFNCAWTWQWUQM-XTVRUMMYSA-N 0 0 414.530 6.161 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000012559298 568857110 /nfs/dbraw/zinc/85/71/10/568857110.db2.gz GQLUWAHWJWZYDI-UHFFFAOYSA-N 0 0 415.202 5.842 50 0 HKAARN Cc1ccc(-c2c(Br)s/c(=N/c3ccccc3)n2-c2ccccc2)cc1 ZINC000012559539 558427646 /nfs/dbraw/zinc/42/76/46/558427646.db2.gz UXDZCUQVXHLWLV-ZNTNEXAZSA-N 0 0 421.363 6.509 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(c3ccccn3)c3ccccn3)cc12 ZINC000012559730 568857257 /nfs/dbraw/zinc/85/72/57/568857257.db2.gz VFSOZMCPEHCSCG-UHFFFAOYSA-N 0 0 411.490 5.164 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2NCc2ccco2)cc1 ZINC000012559897 569401837 /nfs/dbraw/zinc/40/18/37/569401837.db2.gz MXTBVLFBKFPVSY-SDNWHVSQSA-N 0 0 420.490 5.191 50 0 HKAARN Cc1ccc2nc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)sc2c1 ZINC000012559951 568857219 /nfs/dbraw/zinc/85/72/19/568857219.db2.gz UXHAHYNTMFJHBQ-UHFFFAOYSA-N 0 0 404.520 5.162 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(Cl)c(Cl)c1 ZINC000012560161 568857465 /nfs/dbraw/zinc/85/74/65/568857465.db2.gz QPVLMMVBRNGDAD-UHFFFAOYSA-N 0 0 400.187 5.450 50 0 HKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)c(Cl)c1 ZINC000012560449 569401923 /nfs/dbraw/zinc/40/19/23/569401923.db2.gz YVNOWAPCUVCGEL-ATJXCDBQSA-N 0 0 401.318 6.397 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000012560774 568858100 /nfs/dbraw/zinc/85/81/00/568858100.db2.gz OBMJFYIWHXFLMO-FLCJAFJVSA-N 0 0 409.957 6.134 50 0 HKAARN C[C@@H]1CN(c2ncnc3scc(-c4ccc(-c5ccccc5)cc4)c32)C[C@H](C)O1 ZINC000012561747 132364036 /nfs/dbraw/zinc/36/40/36/132364036.db2.gz IKECPJZTMBXKON-CALCHBBNSA-N 0 0 401.535 5.639 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012561812 558428124 /nfs/dbraw/zinc/42/81/24/558428124.db2.gz QCIDOIDUBJUKQP-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012561814 558428139 /nfs/dbraw/zinc/42/81/39/558428139.db2.gz QCIDOIDUBJUKQP-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012561816 558428127 /nfs/dbraw/zinc/42/81/27/558428127.db2.gz QCIDOIDUBJUKQP-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN CCCc1cc(CCC)n2cc(Cc3cn4c(n3)nc(CCC)cc4CCC)nc2n1 ZINC000012561826 568858756 /nfs/dbraw/zinc/85/87/56/568858756.db2.gz SIXXFORMXOQCQJ-UHFFFAOYSA-N 0 0 418.589 5.173 50 0 HKAARN Oc1ccccc1-c1nc(/C=C/c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000012561902 569401822 /nfs/dbraw/zinc/40/18/22/569401822.db2.gz RZCULOATVPTGON-NTCAYCPXSA-N 0 0 418.294 5.573 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1Cl ZINC000012562086 132364012 /nfs/dbraw/zinc/36/40/12/132364012.db2.gz XIHFEGXCEQQQLG-UHFFFAOYSA-N 0 0 420.384 5.363 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000012562328 568859223 /nfs/dbraw/zinc/85/92/23/568859223.db2.gz YHATVZCKRCKOPC-GFCCVEGCSA-N 0 0 401.919 5.220 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000012562330 568859218 /nfs/dbraw/zinc/85/92/18/568859218.db2.gz YHATVZCKRCKOPC-LBPRGKRZSA-N 0 0 401.919 5.220 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1Cl ZINC000012562351 568859221 /nfs/dbraw/zinc/85/92/21/568859221.db2.gz YXERUFYQISCKFE-GFCCVEGCSA-N 0 0 401.919 5.220 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1Cl ZINC000012562353 568859227 /nfs/dbraw/zinc/85/92/27/568859227.db2.gz YXERUFYQISCKFE-LBPRGKRZSA-N 0 0 401.919 5.220 50 0 HKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2)cs1 ZINC000012562355 568859188 /nfs/dbraw/zinc/85/91/88/568859188.db2.gz KLNRWMQSMXHRAA-LLVKDONJSA-N 0 0 406.338 5.864 50 0 HKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2)cs1 ZINC000012562357 568859238 /nfs/dbraw/zinc/85/92/38/568859238.db2.gz KLNRWMQSMXHRAA-NSHDSACASA-N 0 0 406.338 5.864 50 0 HKAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 ZINC000012562870 568859063 /nfs/dbraw/zinc/85/90/63/568859063.db2.gz IOBVZOROVSCBLF-NEPJUHHUSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 ZINC000012562872 568859023 /nfs/dbraw/zinc/85/90/23/568859023.db2.gz IOBVZOROVSCBLF-RYUDHWBXSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 ZINC000012562874 568859029 /nfs/dbraw/zinc/85/90/29/568859029.db2.gz IOBVZOROVSCBLF-VXGBXAGGSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 ZINC000012562876 568859054 /nfs/dbraw/zinc/85/90/54/568859054.db2.gz IOBVZOROVSCBLF-NWDGAFQWSA-N 0 0 409.313 5.155 50 0 HKAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc2c1 ZINC000012562982 568859071 /nfs/dbraw/zinc/85/90/71/568859071.db2.gz IPEGDNBJIBLJKO-SGEDCAFJSA-N 0 0 411.505 5.277 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012563427 568859391 /nfs/dbraw/zinc/85/93/91/568859391.db2.gz WEAWFUMNQFSUHW-XMMPIXPASA-N 0 0 411.896 5.823 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012563429 568859419 /nfs/dbraw/zinc/85/94/19/568859419.db2.gz WEAWFUMNQFSUHW-DEOSSOPVSA-N 0 0 411.896 5.823 50 0 HKAARN Clc1ccccc1OCc1nnc(SCc2ccc3ccccc3n2)n1C1CC1 ZINC000012563722 568859409 /nfs/dbraw/zinc/85/94/09/568859409.db2.gz CTICWNFXNRJXCP-UHFFFAOYSA-N 0 0 422.941 5.686 50 0 HKAARN CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)c1nc2ccccc2[nH]1 ZINC000012563783 568859499 /nfs/dbraw/zinc/85/94/99/568859499.db2.gz RKBDQJACWJMUJS-PMACEKPBSA-N 0 0 415.990 5.567 50 0 HKAARN CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)c1nc2ccccc2[nH]1 ZINC000012563785 568859551 /nfs/dbraw/zinc/85/95/51/568859551.db2.gz RKBDQJACWJMUJS-VQTJNVASSA-N 0 0 415.990 5.567 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2SCCC(C)C)c(Cl)c1 ZINC000012564678 568859745 /nfs/dbraw/zinc/85/97/45/568859745.db2.gz VHQMZKZIKPEDQK-UHFFFAOYSA-N 0 0 401.963 5.775 50 0 HKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000012564728 568859927 /nfs/dbraw/zinc/85/99/27/568859927.db2.gz DWNSQHBYFXKMJO-QHCPKHFHSA-N 0 0 418.327 6.971 50 0 HKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000012564730 568859949 /nfs/dbraw/zinc/85/99/49/568859949.db2.gz DWNSQHBYFXKMJO-HSZRJFAPSA-N 0 0 418.327 6.971 50 0 HKAARN Clc1ccccc1CSc1cc2nc3ccccc3n2c(-c2ccccc2)n1 ZINC000012564777 558428371 /nfs/dbraw/zinc/42/83/71/558428371.db2.gz VQAYSPZQKOVGQF-UHFFFAOYSA-N 0 0 401.922 6.495 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 ZINC000012564827 558428303 /nfs/dbraw/zinc/42/83/03/558428303.db2.gz VAHAKZWTXMJSCY-XCZPVHLTSA-N 0 0 420.487 6.735 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 ZINC000012564829 558428362 /nfs/dbraw/zinc/42/83/62/558428362.db2.gz VAHAKZWTXMJSCY-IAPPQJPRSA-N 0 0 420.487 6.735 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012564974 568859846 /nfs/dbraw/zinc/85/98/46/568859846.db2.gz VEPPNCHXZZMADP-UHFFFAOYSA-N 0 0 423.541 6.508 50 0 HKAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 ZINC000012565015 568859810 /nfs/dbraw/zinc/85/98/10/568859810.db2.gz RPWAHBOOVKWPNM-QZTJIDSGSA-N 0 0 405.567 5.340 50 0 HKAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 ZINC000012565017 568859912 /nfs/dbraw/zinc/85/99/12/568859912.db2.gz RPWAHBOOVKWPNM-HDICACEKSA-N 0 0 405.567 5.340 50 0 HKAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 ZINC000012565019 568859874 /nfs/dbraw/zinc/85/98/74/568859874.db2.gz RPWAHBOOVKWPNM-ROUUACIJSA-N 0 0 405.567 5.340 50 0 HKAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@H](C)C2 ZINC000012565055 568859835 /nfs/dbraw/zinc/85/98/35/568859835.db2.gz XMRNUFCSVBMJSP-NEPJUHHUSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@@H](C)C2 ZINC000012565057 568859863 /nfs/dbraw/zinc/85/98/63/568859863.db2.gz XMRNUFCSVBMJSP-RYUDHWBXSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@H](C)C2 ZINC000012565059 568859879 /nfs/dbraw/zinc/85/98/79/568859879.db2.gz XMRNUFCSVBMJSP-VXGBXAGGSA-N 0 0 409.313 5.155 50 0 HKAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@@H](C)C2 ZINC000012565061 568859871 /nfs/dbraw/zinc/85/98/71/568859871.db2.gz XMRNUFCSVBMJSP-NWDGAFQWSA-N 0 0 409.313 5.155 50 0 HKAARN O=C(Oc1ccc2cc(Br)ccc2c1)C(c1ccccc1)c1ccccc1 ZINC000012565211 568859936 /nfs/dbraw/zinc/85/99/36/568859936.db2.gz GBOUUKTYTYPOCW-UHFFFAOYSA-N 0 0 417.302 6.340 50 0 HKAARN Cc1cc(C)c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c(C)c1 ZINC000012565311 568859997 /nfs/dbraw/zinc/85/99/97/568859997.db2.gz LAKNEUNESIUXNH-UHFFFAOYSA-N 0 0 421.012 6.217 50 0 HKAARN Clc1ccccc1OCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000012565400 568860000 /nfs/dbraw/zinc/86/00/00/568860000.db2.gz GTWMNUWGALPNAV-UHFFFAOYSA-N 0 0 419.937 6.030 50 0 HKAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)s2)c(C)c1 ZINC000012565495 568860072 /nfs/dbraw/zinc/86/00/72/568860072.db2.gz FZSYSKNJIIHAQB-UHFFFAOYSA-N 0 0 421.494 5.475 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000012565759 568860242 /nfs/dbraw/zinc/86/02/42/568860242.db2.gz AJCOJNIDPWQPOB-QBIMZIAESA-N 0 0 401.330 5.083 50 0 HKAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012566665 568860172 /nfs/dbraw/zinc/86/01/72/568860172.db2.gz RQOIEPALVVSQJW-SECBINFHSA-N 0 0 416.877 6.088 50 0 HKAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012566666 568860185 /nfs/dbraw/zinc/86/01/85/568860185.db2.gz RQOIEPALVVSQJW-VIFPVBQESA-N 0 0 416.877 6.088 50 0 HKAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000012566677 568860187 /nfs/dbraw/zinc/86/01/87/568860187.db2.gz NINUPLYIYAIYHI-UHFFFAOYSA-N 0 0 422.531 5.308 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567031 132364471 /nfs/dbraw/zinc/36/44/71/132364471.db2.gz STHLDUVYGRGXED-SANMLTNESA-N 0 0 413.565 6.086 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567032 132364480 /nfs/dbraw/zinc/36/44/80/132364480.db2.gz STHLDUVYGRGXED-AREMUKBSSA-N 0 0 413.565 6.086 50 0 HKAARN Cc1ccc2cccc(OC(=O)c3ccccc3OCc3ccc(Cl)cc3)c2n1 ZINC000012567076 568860409 /nfs/dbraw/zinc/86/04/09/568860409.db2.gz RSQXSXZKEBEFCW-UHFFFAOYSA-N 0 0 403.865 5.995 50 0 HKAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012567204 568860455 /nfs/dbraw/zinc/86/04/55/568860455.db2.gz GGODXWLFYWLBJV-RUZDIDTESA-N 0 0 401.506 5.103 50 0 HKAARN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012567205 568860415 /nfs/dbraw/zinc/86/04/15/568860415.db2.gz GGODXWLFYWLBJV-VWLOTQADSA-N 0 0 401.506 5.103 50 0 HKAARN O=C(CSc1ccc2ccccc2c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012567207 568860406 /nfs/dbraw/zinc/86/04/06/568860406.db2.gz XAGSXXJCJWBMHX-FQEVSTJZSA-N 0 0 404.560 5.905 50 0 HKAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012567208 568860443 /nfs/dbraw/zinc/86/04/43/568860443.db2.gz BCIMPCMBLSTRKQ-KRWDZBQOSA-N 0 0 409.511 5.536 50 0 HKAARN CCc1ccc(-c2nc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n[nH]2)cc1 ZINC000012567224 568860447 /nfs/dbraw/zinc/86/04/47/568860447.db2.gz BHQHJEDWOFDQTN-UHFFFAOYSA-N 0 0 422.554 5.206 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567310 537128856 /nfs/dbraw/zinc/12/88/56/537128856.db2.gz YETDZRNSLBENJQ-VWLOTQADSA-N 0 0 415.537 5.477 50 0 HKAARN COc1cccc(NC(=O)[C@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567311 132364438 /nfs/dbraw/zinc/36/44/38/132364438.db2.gz YETDZRNSLBENJQ-RUZDIDTESA-N 0 0 415.537 5.477 50 0 HKAARN C[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012567327 568860730 /nfs/dbraw/zinc/86/07/30/568860730.db2.gz SMHWDBUXCZSGEF-MRXNPFEDSA-N 0 0 422.912 5.113 50 0 HKAARN C[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012567328 568860720 /nfs/dbraw/zinc/86/07/20/568860720.db2.gz SMHWDBUXCZSGEF-INIZCTEOSA-N 0 0 422.912 5.113 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000012567340 568860682 /nfs/dbraw/zinc/86/06/82/568860682.db2.gz PQYCODAYUZOQFC-UHFFFAOYSA-N 0 0 409.898 5.385 50 0 HKAARN COc1ccccc1-c1nc(CN2CCCC[C@@H]2c2nc3ccccc3s2)cs1 ZINC000012567430 568860424 /nfs/dbraw/zinc/86/04/24/568860424.db2.gz HITMQLBZAUCTRQ-LJQANCHMSA-N 0 0 421.591 6.156 50 0 HKAARN COc1ccccc1-c1nc(CN2CCCC[C@H]2c2nc3ccccc3s2)cs1 ZINC000012567431 568860389 /nfs/dbraw/zinc/86/03/89/568860389.db2.gz HITMQLBZAUCTRQ-IBGZPJMESA-N 0 0 421.591 6.156 50 0 HKAARN CC(C)c1csc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 ZINC000012567877 568860586 /nfs/dbraw/zinc/86/05/86/568860586.db2.gz VDDYMAYKFMOUKB-UHFFFAOYSA-N 0 0 408.552 5.492 50 0 HKAARN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3c4ccccc4nc4c3CCCC4)o2)c1 ZINC000012567922 568860576 /nfs/dbraw/zinc/86/05/76/568860576.db2.gz OGFBMCWLPZZBGT-MRXNPFEDSA-N 0 0 413.477 5.390 50 0 HKAARN Cc1cccc(-c2nnc([C@H](C)OC(=O)c3c4ccccc4nc4c3CCCC4)o2)c1 ZINC000012567923 568860563 /nfs/dbraw/zinc/86/05/63/568860563.db2.gz OGFBMCWLPZZBGT-INIZCTEOSA-N 0 0 413.477 5.390 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012568004 568860707 /nfs/dbraw/zinc/86/07/07/568860707.db2.gz GMLUKOCLIFAPJJ-UHFFFAOYSA-N 0 0 402.542 5.051 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)COc1cc(C)ccc1C ZINC000012568028 568860687 /nfs/dbraw/zinc/86/06/87/568860687.db2.gz BUBFFGADEBKGEE-UHFFFAOYSA-N 0 0 403.457 5.083 50 0 HKAARN COc1ccc(-c2cc(N[C@@H](C(=O)N3CCCC3)c3ccccc3)ccc2OC)cc1 ZINC000012568035 568860683 /nfs/dbraw/zinc/86/06/83/568860683.db2.gz NZPRVASMMDJDSE-RUZDIDTESA-N 0 0 416.521 5.146 50 0 HKAARN COc1ccc(-c2cc(N[C@H](C(=O)N3CCCC3)c3ccccc3)ccc2OC)cc1 ZINC000012568036 568860756 /nfs/dbraw/zinc/86/07/56/568860756.db2.gz NZPRVASMMDJDSE-VWLOTQADSA-N 0 0 416.521 5.146 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012568063 132364477 /nfs/dbraw/zinc/36/44/77/132364477.db2.gz MNKMWKJDPRKULT-UHFFFAOYSA-N 0 0 408.505 5.539 50 0 HKAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000012568089 568860709 /nfs/dbraw/zinc/86/07/09/568860709.db2.gz GOSUNJDCGXXIRL-XMMPIXPASA-N 0 0 415.464 5.085 50 0 HKAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000012568090 568860726 /nfs/dbraw/zinc/86/07/26/568860726.db2.gz GOSUNJDCGXXIRL-DEOSSOPVSA-N 0 0 415.464 5.085 50 0 HKAARN CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc(Nc2ccccc2)cc1 ZINC000012568106 568860722 /nfs/dbraw/zinc/86/07/22/568860722.db2.gz AHWUBBNXNMXLPR-UHFFFAOYSA-N 0 0 415.537 5.068 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000012568277 568860847 /nfs/dbraw/zinc/86/08/47/568860847.db2.gz XATWHGKBCVSBBX-QGZVFWFLSA-N 0 0 415.415 5.151 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000012568278 568860947 /nfs/dbraw/zinc/86/09/47/568860947.db2.gz XATWHGKBCVSBBX-KRWDZBQOSA-N 0 0 415.415 5.151 50 0 HKAARN CCSc1nnc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)s1 ZINC000012568308 568860925 /nfs/dbraw/zinc/86/09/25/568860925.db2.gz HDXDEOVAGJFSNA-UHFFFAOYSA-N 0 0 404.586 5.001 50 0 HKAARN O=Cc1cn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1-c1cccnc1 ZINC000012568329 568860927 /nfs/dbraw/zinc/86/09/27/568860927.db2.gz SQDWXTPENDBXAO-UHFFFAOYSA-N 0 0 411.852 5.010 50 0 HKAARN O=Cc1cn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1-c1ccncc1 ZINC000012568330 568860907 /nfs/dbraw/zinc/86/09/07/568860907.db2.gz QDKJPNLYOZOEHO-UHFFFAOYSA-N 0 0 411.852 5.010 50 0 HKAARN O=Cc1cn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1-c1cccs1 ZINC000012568331 568860844 /nfs/dbraw/zinc/86/08/44/568860844.db2.gz MPIDFJISGIHJAU-UHFFFAOYSA-N 0 0 416.893 5.677 50 0 HKAARN O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1NCc1ccco1 ZINC000012568379 568860901 /nfs/dbraw/zinc/86/09/01/568860901.db2.gz FAMMQMXFXRIRMW-UHFFFAOYSA-N 0 0 424.909 6.026 50 0 HKAARN CSc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000012568432 568861121 /nfs/dbraw/zinc/86/11/21/568861121.db2.gz FRPYEGTWCIUQGW-QGZVFWFLSA-N 0 0 414.577 5.288 50 0 HKAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000012568446 568861082 /nfs/dbraw/zinc/86/10/82/568861082.db2.gz QWOXLMZWAXWKKZ-UHFFFAOYSA-N 0 0 419.506 5.170 50 0 HKAARN O=C(C1CCC1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 ZINC000012568588 568860999 /nfs/dbraw/zinc/86/09/99/568860999.db2.gz JIKIFHAUYWYBAO-UHFFFAOYSA-N 0 0 400.906 5.936 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc(C(C)C)cs3)cc12 ZINC000012568620 568860973 /nfs/dbraw/zinc/86/09/73/568860973.db2.gz QHVHNUZXRABWPU-UHFFFAOYSA-N 0 0 414.531 5.426 50 0 HKAARN Cc1ccc(Sc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)c(C)c1 ZINC000012568720 569042999 /nfs/dbraw/zinc/04/29/99/569042999.db2.gz OLACMNZBAOYPAG-LFYBBSHMSA-N 0 0 403.503 5.835 50 0 HKAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccccc1Oc1ccccc1 ZINC000012568967 132364422 /nfs/dbraw/zinc/36/44/22/132364422.db2.gz KBKQEOLIMIJSPZ-UHFFFAOYSA-N 0 0 401.510 5.520 50 0 HKAARN Cc1cc(C(=O)CN(C)Cc2nc3ccccc3s2)c(C)n1Cc1cccs1 ZINC000012569107 568861461 /nfs/dbraw/zinc/86/14/61/568861461.db2.gz SZCJIYGRYZWQHT-UHFFFAOYSA-N 0 0 409.580 5.139 50 0 HKAARN COc1cc(SC)ccc1C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 ZINC000012569293 568861351 /nfs/dbraw/zinc/86/13/51/568861351.db2.gz UGHSMYAKVOFKJU-UHFFFAOYSA-N 0 0 409.576 6.437 50 0 HKAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000012569418 568861467 /nfs/dbraw/zinc/86/14/67/568861467.db2.gz NARINOVYSWZDBY-UHFFFAOYSA-N 0 0 417.292 5.208 50 0 HKAARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1cnn(-c2ccccc2)c1 ZINC000012569470 527093148 /nfs/dbraw/zinc/09/31/48/527093148.db2.gz IIPDEKBRQPLFEH-HAHDFKILSA-N 0 0 407.429 5.009 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)c3cc(C4CC4)nn3-c3ccccc3)ccc2c1 ZINC000012569506 568861428 /nfs/dbraw/zinc/86/14/28/568861428.db2.gz NXNAFHTYEWVPJJ-UHFFFAOYSA-N 0 0 411.505 5.184 50 0 HKAARN COc1ccc(Cl)cc1CSCC(=O)Nc1ccc(C)cc1Br ZINC000012569520 568861393 /nfs/dbraw/zinc/86/13/93/568861393.db2.gz RKWYJVUDNIPRFC-UHFFFAOYSA-N 0 0 414.752 5.291 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(SCc2nc(-c3ccccc3Cl)no2)n1 ZINC000012569552 568861631 /nfs/dbraw/zinc/86/16/31/568861631.db2.gz CRGZGMPGIYRGFN-UHFFFAOYSA-N 0 0 422.819 5.644 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(SCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC000012569553 568861604 /nfs/dbraw/zinc/86/16/04/568861604.db2.gz SCIUFJXJBYTZSV-UHFFFAOYSA-N 0 0 422.819 5.644 50 0 HKAARN O=Cc1cn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000012569562 568861584 /nfs/dbraw/zinc/86/15/84/568861584.db2.gz FCMZUBCFGHAMHT-UHFFFAOYSA-N 0 0 410.864 5.615 50 0 HKAARN CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000012569584 568861623 /nfs/dbraw/zinc/86/16/23/568861623.db2.gz BWQQFMPYMKQMHF-UHFFFAOYSA-N 0 0 407.370 5.091 50 0 HKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012569618 568861595 /nfs/dbraw/zinc/86/15/95/568861595.db2.gz RGDAHFZPVYIROC-LJQANCHMSA-N 0 0 418.449 5.142 50 0 HKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012569619 527514311 /nfs/dbraw/zinc/51/43/11/527514311.db2.gz RGDAHFZPVYIROC-IBGZPJMESA-N 0 0 418.449 5.142 50 0 HKAARN CC(=O)N(c1nc(CSc2c(Cl)cccc2Cl)cs1)c1cccc(C)c1 ZINC000012569708 519478588 /nfs/dbraw/zinc/47/85/88/519478588.db2.gz NIJZUOQKLGWMCI-UHFFFAOYSA-N 0 0 423.390 6.735 50 0 HKAARN CC1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000012569748 520968407 /nfs/dbraw/zinc/96/84/07/520968407.db2.gz RQOLLRORHVJEKE-FMIVXFBMSA-N 0 0 405.929 5.464 50 0 HKAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012570427 568862211 /nfs/dbraw/zinc/86/22/11/568862211.db2.gz OYHCEFXALLURCJ-UHFFFAOYSA-N 0 0 417.468 6.341 50 0 HKAARN CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)no1 ZINC000012570550 558428643 /nfs/dbraw/zinc/42/86/43/558428643.db2.gz NKJCRTCBRZFFPH-LJQANCHMSA-N 0 0 420.484 5.339 50 0 HKAARN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)no1 ZINC000012570555 558428613 /nfs/dbraw/zinc/42/86/13/558428613.db2.gz NKJCRTCBRZFFPH-IBGZPJMESA-N 0 0 420.484 5.339 50 0 HKAARN Cc1ccc(-n2cc(CNCc3cc(C(C)C)no3)c(-c3cccc(C)c3)n2)cc1 ZINC000012570781 558428810 /nfs/dbraw/zinc/42/88/10/558428810.db2.gz QPGBNPSQHUXFKE-UHFFFAOYSA-N 0 0 400.526 5.557 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)cc1 ZINC000012570861 568862242 /nfs/dbraw/zinc/86/22/42/568862242.db2.gz RCCRRYYXNAROHR-QHCPKHFHSA-N 0 0 421.338 5.809 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)cc1 ZINC000012570866 568862132 /nfs/dbraw/zinc/86/21/32/568862132.db2.gz RCCRRYYXNAROHR-HSZRJFAPSA-N 0 0 421.338 5.809 50 0 HKAARN Cc1ccc2cc(CN(C(=O)CC3CCCC3)C3CC3)c(-c3cccs3)nc2c1 ZINC000012570905 558429009 /nfs/dbraw/zinc/42/90/09/558429009.db2.gz WYXVSRXVGOEIDW-UHFFFAOYSA-N 0 0 404.579 6.343 50 0 HKAARN Cc1cc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)on1 ZINC000012571379 558429295 /nfs/dbraw/zinc/42/92/95/558429295.db2.gz ZFISJOBXBPYUCS-UHFFFAOYSA-N 0 0 412.493 5.273 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C1\C(=O)Nc2cc(Cl)ccc21 ZINC000012571867 569401950 /nfs/dbraw/zinc/40/19/50/569401950.db2.gz QAXKVARJMZNSAF-SXGWCWSVSA-N 0 0 404.684 5.634 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc12 ZINC000012571980 568862174 /nfs/dbraw/zinc/86/21/74/568862174.db2.gz DQFYVQVMIGATCL-SNUQEOBHSA-N 0 0 401.963 5.603 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 ZINC000012571989 568862115 /nfs/dbraw/zinc/86/21/15/568862115.db2.gz DQFYVQVMIGATCL-VEVIJQCQSA-N 0 0 401.963 5.603 50 0 HKAARN Cc1ccccc1-n1cc(-c2ccc(Cl)cc2)nc1SCC(=O)c1ccccc1 ZINC000012572487 568862199 /nfs/dbraw/zinc/86/21/99/568862199.db2.gz AGVDBYMTQAZRAO-UHFFFAOYSA-N 0 0 418.949 6.476 50 0 HKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1 ZINC000012574238 558430316 /nfs/dbraw/zinc/43/03/16/558430316.db2.gz FZWCHEJUESSCFR-UHFFFAOYSA-N 0 0 416.496 5.292 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccccc2Cl)N1 ZINC000012574476 568862361 /nfs/dbraw/zinc/86/23/61/568862361.db2.gz XDEGGNAXHGDGBD-NRFANRHFSA-N 0 0 417.921 5.872 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccccc2Cl)N1 ZINC000012574481 568862436 /nfs/dbraw/zinc/86/24/36/568862436.db2.gz XDEGGNAXHGDGBD-OAQYLSRUSA-N 0 0 417.921 5.872 50 0 HKAARN CCC[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012574883 558430592 /nfs/dbraw/zinc/43/05/92/558430592.db2.gz SHENSUBRLCOSDE-GHTZIAJQSA-N 0 0 424.516 5.231 50 0 HKAARN Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000012574940 569401992 /nfs/dbraw/zinc/40/19/92/569401992.db2.gz UXSUDJVOCWBPSB-UHFFFAOYSA-N 0 0 418.949 6.476 50 0 HKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCOCC1 ZINC000012575126 569402058 /nfs/dbraw/zinc/40/20/58/569402058.db2.gz NGEVOOPYJIHRAN-IKBKFCNISA-N 0 0 408.265 6.072 50 0 HKAARN CCCN(CCC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000012575164 569402002 /nfs/dbraw/zinc/40/20/02/569402002.db2.gz KYMRQWADFKWTHC-SVJWQLCWSA-N 0 0 422.336 7.861 50 0 HKAARN CCc1sc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1C ZINC000012575788 568862340 /nfs/dbraw/zinc/86/23/40/568862340.db2.gz YYZSXZBTNZKSOF-UHFFFAOYSA-N 0 0 423.567 5.419 50 0 HKAARN CCOc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1OCC ZINC000012575803 568862359 /nfs/dbraw/zinc/86/23/59/568862359.db2.gz JETFLYPAOCAAPM-UHFFFAOYSA-N 0 0 410.539 5.785 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012575848 568862342 /nfs/dbraw/zinc/86/23/42/568862342.db2.gz FLNVIAFLZZMIIR-GJZUVCINSA-N 0 0 412.489 5.263 50 0 HKAARN CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012575852 568862412 /nfs/dbraw/zinc/86/24/12/568862412.db2.gz FLNVIAFLZZMIIR-ATIYNZHBSA-N 0 0 412.489 5.263 50 0 HKAARN Clc1ccc(-c2[nH]nc(-c3ccccc3)c2Cc2nc3ccccc3s2)cc1 ZINC000012576337 568862598 /nfs/dbraw/zinc/86/25/98/568862598.db2.gz WKBQOGASSCGPHI-UHFFFAOYSA-N 0 0 401.922 6.598 50 0 HKAARN c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000012576374 568862607 /nfs/dbraw/zinc/86/26/07/568862607.db2.gz ZVGTXZIZTSUMDH-UHFFFAOYSA-N 0 0 424.507 7.021 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1OC ZINC000012576825 568862628 /nfs/dbraw/zinc/86/26/28/568862628.db2.gz VQXMJNPJEPWFHS-UHFFFAOYSA-N 0 0 421.522 5.270 50 0 HKAARN COc1ccc(O)c(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 ZINC000012578284 568863252 /nfs/dbraw/zinc/86/32/52/568863252.db2.gz GOEPMIUVAZXXIZ-UHFFFAOYSA-N 0 0 416.527 6.209 50 0 HKAARN O=C(CSc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012578539 568863421 /nfs/dbraw/zinc/86/34/21/568863421.db2.gz DJFPXJVMHKYEQB-NRFANRHFSA-N 0 0 405.519 5.067 50 0 HKAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000012578631 568863368 /nfs/dbraw/zinc/86/33/68/568863368.db2.gz LVEATIPCLOIDKV-UHFFFAOYSA-N 0 0 403.507 5.155 50 0 HKAARN Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C(C)C)cc1Cl ZINC000012578865 568863393 /nfs/dbraw/zinc/86/33/93/568863393.db2.gz HBSRIDDZIQZHJM-HXUWFJFHSA-N 0 0 411.933 5.391 50 0 HKAARN Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C(C)C)cc1Cl ZINC000012578873 568863477 /nfs/dbraw/zinc/86/34/77/568863477.db2.gz HBSRIDDZIQZHJM-FQEVSTJZSA-N 0 0 411.933 5.391 50 0 HKAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1Cl ZINC000012579098 569040194 /nfs/dbraw/zinc/04/01/94/569040194.db2.gz NPLMAEGBBWTLLJ-UHFFFAOYSA-N 0 0 423.925 5.418 50 0 HKAARN Brc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000012579807 558432086 /nfs/dbraw/zinc/43/20/86/558432086.db2.gz BQACHTJVYRIJGM-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012579813 558432105 /nfs/dbraw/zinc/43/21/05/558432105.db2.gz BQACHTJVYRIJGM-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN CC(=O)c1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cs1 ZINC000012581174 558432589 /nfs/dbraw/zinc/43/25/89/558432589.db2.gz IDGOOUGISHPWPX-UHFFFAOYSA-N 0 0 404.963 5.235 50 0 HKAARN Cc1oc(-c2cccs2)nc1CN1CCC(CO)(CCCc2ccccc2)CC1 ZINC000012581495 558432646 /nfs/dbraw/zinc/43/26/46/558432646.db2.gz KPIMERHQITYLDF-UHFFFAOYSA-N 0 0 410.583 5.309 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000012582118 568864605 /nfs/dbraw/zinc/86/46/05/568864605.db2.gz CJXLAZCJVZXDAK-STSQHVNTSA-N 0 0 423.553 5.274 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000012582126 568864536 /nfs/dbraw/zinc/86/45/36/568864536.db2.gz CJXLAZCJVZXDAK-PNCHPQGNSA-N 0 0 423.553 5.274 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000012582145 568864655 /nfs/dbraw/zinc/86/46/55/568864655.db2.gz PGVMHVLTGCAKJB-QMMLZNLJSA-N 0 0 404.522 5.185 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000012582154 568864539 /nfs/dbraw/zinc/86/45/39/568864539.db2.gz PGVMHVLTGCAKJB-UIFIKXQLSA-N 0 0 404.522 5.185 50 0 HKAARN O=c1cc(CSCc2ccc(Cl)c(Cl)c2)nc2sc3c(n21)CCCC3 ZINC000012582278 568864937 /nfs/dbraw/zinc/86/49/37/568864937.db2.gz KIMOYFPVWJFXQK-UHFFFAOYSA-N 0 0 411.379 5.375 50 0 HKAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000012582527 558433106 /nfs/dbraw/zinc/43/31/06/558433106.db2.gz FCJTWXHTKYQDCU-UHFFFAOYSA-N 0 0 422.569 5.449 50 0 HKAARN CCCOc1ccccc1NC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 ZINC000012582694 568864899 /nfs/dbraw/zinc/86/48/99/568864899.db2.gz ZDQBGCDWBHVCGJ-UHFFFAOYSA-N 0 0 415.493 5.263 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000012582790 558433118 /nfs/dbraw/zinc/43/31/18/558433118.db2.gz JGOFNUOGGPJPPF-UHFFFAOYSA-N 0 0 424.953 5.559 50 0 HKAARN CCN(Cc1ccncc1)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000012582901 568865225 /nfs/dbraw/zinc/86/52/25/568865225.db2.gz WYXUXEPPWYLOSO-UHFFFAOYSA-N 0 0 410.930 5.106 50 0 HKAARN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012583051 558433104 /nfs/dbraw/zinc/43/31/04/558433104.db2.gz PWXTYYBIYYUDRY-UHFFFAOYSA-N 0 0 408.885 5.091 50 0 HKAARN Cc1c2cccc(F)c2oc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000012583342 558433359 /nfs/dbraw/zinc/43/33/59/558433359.db2.gz KKMCRNXWMQGWTN-UHFFFAOYSA-N 0 0 421.390 5.583 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)cc12 ZINC000012583794 568865714 /nfs/dbraw/zinc/86/57/14/568865714.db2.gz HPHRDRZGRWQBPQ-UHFFFAOYSA-N 0 0 401.473 5.939 50 0 HKAARN c1sc2ncnc(Nc3ccc4c(c3)OCO4)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000012583931 558433675 /nfs/dbraw/zinc/43/36/75/558433675.db2.gz HSAWKFBFNNZVIU-UHFFFAOYSA-N 0 0 423.497 6.498 50 0 HKAARN CC(C)c1csc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584594 558433654 /nfs/dbraw/zinc/43/36/54/558433654.db2.gz CDWYDAWLSQTOKC-GOSISDBHSA-N 0 0 409.555 5.377 50 0 HKAARN CC(C)c1csc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584602 558433608 /nfs/dbraw/zinc/43/36/08/558433608.db2.gz CDWYDAWLSQTOKC-SFHVURJKSA-N 0 0 409.555 5.377 50 0 HKAARN O=C(CCC(F)(F)F)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012585336 558433911 /nfs/dbraw/zinc/43/39/11/558433911.db2.gz MQNYITBPSACLOM-QGZVFWFLSA-N 0 0 405.416 5.243 50 0 HKAARN O=C(CCC(F)(F)F)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012585341 558433854 /nfs/dbraw/zinc/43/38/54/558433854.db2.gz MQNYITBPSACLOM-KRWDZBQOSA-N 0 0 405.416 5.243 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012585742 568866296 /nfs/dbraw/zinc/86/62/96/568866296.db2.gz IHVSUNAUJQJZFQ-LJQANCHMSA-N 0 0 401.506 5.593 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012585747 568866360 /nfs/dbraw/zinc/86/63/60/568866360.db2.gz IHVSUNAUJQJZFQ-IBGZPJMESA-N 0 0 401.506 5.593 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c(C)c1 ZINC000012586495 568867075 /nfs/dbraw/zinc/86/70/75/568867075.db2.gz GWQAADUTUGDSBV-UHFFFAOYSA-N 0 0 417.534 5.886 50 0 HKAARN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)coc2c1C ZINC000012586628 526121846 /nfs/dbraw/zinc/12/18/46/526121846.db2.gz GQRFODQQJGDJIR-OAQYLSRUSA-N 0 0 405.494 5.117 50 0 HKAARN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)coc2c1C ZINC000012586634 568866968 /nfs/dbraw/zinc/86/69/68/568866968.db2.gz GQRFODQQJGDJIR-NRFANRHFSA-N 0 0 405.494 5.117 50 0 HKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)s2)cc1 ZINC000012586755 568867021 /nfs/dbraw/zinc/86/70/21/568867021.db2.gz WQOLAMCWWGBUKO-GASCZTMLSA-N 0 0 404.605 5.287 50 0 HKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(C)cs1 ZINC000012586781 568866991 /nfs/dbraw/zinc/86/69/91/568866991.db2.gz JEZHEESRJZODQM-UHFFFAOYSA-N 0 0 418.565 5.088 50 0 HKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1Cc1ccccc1 ZINC000012587162 568867361 /nfs/dbraw/zinc/86/73/61/568867361.db2.gz IWPHAHDBUHHXRV-UHFFFAOYSA-N 0 0 410.521 5.733 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000012587320 568867487 /nfs/dbraw/zinc/86/74/87/568867487.db2.gz DFNSITKSPHEKCV-YCPHGPKFSA-N 0 0 408.947 5.716 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000012587327 568867476 /nfs/dbraw/zinc/86/74/76/568867476.db2.gz DFNSITKSPHEKCV-FMKPAKJESA-N 0 0 408.947 5.716 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4C[C@H]3C)c2n1 ZINC000012587391 568867458 /nfs/dbraw/zinc/86/74/58/568867458.db2.gz OOWFYARAYWSGAM-CYBMUJFWSA-N 0 0 401.293 5.207 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4C[C@@H]3C)c2n1 ZINC000012587397 568867494 /nfs/dbraw/zinc/86/74/94/568867494.db2.gz OOWFYARAYWSGAM-ZDUSSCGKSA-N 0 0 401.293 5.207 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000012587432 568867484 /nfs/dbraw/zinc/86/74/84/568867484.db2.gz HGRDMXNKRGVJKG-STSQHVNTSA-N 0 0 422.521 5.471 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000012587447 568867528 /nfs/dbraw/zinc/86/75/28/568867528.db2.gz HGRDMXNKRGVJKG-PNCHPQGNSA-N 0 0 422.521 5.471 50 0 HKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000012587525 568867694 /nfs/dbraw/zinc/86/76/94/568867694.db2.gz RXKHTGABOVKPEX-UHFFFAOYSA-N 0 0 416.531 5.366 50 0 HKAARN Cc1cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)n1CCc1ccc(F)cc1 ZINC000012587647 568867744 /nfs/dbraw/zinc/86/77/44/568867744.db2.gz MUXPGAQXDJVOET-UHFFFAOYSA-N 0 0 421.541 5.646 50 0 HKAARN O=C(CC[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012588302 558434903 /nfs/dbraw/zinc/43/49/03/558434903.db2.gz YGXMOZDDHYXWQH-SFHVURJKSA-N 0 0 422.491 5.553 50 0 HKAARN O=C(CC[C@H]1CCCN(C(=O)CC2=CCCCC2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012588310 558434823 /nfs/dbraw/zinc/43/48/23/558434823.db2.gz YGXMOZDDHYXWQH-GOSISDBHSA-N 0 0 422.491 5.553 50 0 HKAARN C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012588506 568867748 /nfs/dbraw/zinc/86/77/48/568867748.db2.gz UUJQMIGOZGVPMD-HXUWFJFHSA-N 0 0 415.537 5.305 50 0 HKAARN C[C@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012588512 568867725 /nfs/dbraw/zinc/86/77/25/568867725.db2.gz UUJQMIGOZGVPMD-FQEVSTJZSA-N 0 0 415.537 5.305 50 0 HKAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012589166 568867652 /nfs/dbraw/zinc/86/76/52/568867652.db2.gz JPENSNKKTSBOHD-OAQYLSRUSA-N 0 0 400.503 6.066 50 0 HKAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012589173 568867666 /nfs/dbraw/zinc/86/76/66/568867666.db2.gz JPENSNKKTSBOHD-NRFANRHFSA-N 0 0 400.503 6.066 50 0 HKAARN Cc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccccc2)cc1C ZINC000012589389 568867850 /nfs/dbraw/zinc/86/78/50/568867850.db2.gz FNTPFQUNSXXSGJ-UHFFFAOYSA-N 0 0 417.563 5.553 50 0 HKAARN CSc1nc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cs1 ZINC000012589464 558435329 /nfs/dbraw/zinc/43/53/29/558435329.db2.gz NXPNSPGEESIVKN-LJQANCHMSA-N 0 0 422.575 5.267 50 0 HKAARN CSc1nc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cs1 ZINC000012589473 558435364 /nfs/dbraw/zinc/43/53/64/558435364.db2.gz NXPNSPGEESIVKN-IBGZPJMESA-N 0 0 422.575 5.267 50 0 HKAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)c1 ZINC000012590368 558435556 /nfs/dbraw/zinc/43/55/56/558435556.db2.gz ZQOFOVCFYREUBB-MRXNPFEDSA-N 0 0 403.881 5.001 50 0 HKAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)c1 ZINC000012590375 558435544 /nfs/dbraw/zinc/43/55/44/558435544.db2.gz ZQOFOVCFYREUBB-INIZCTEOSA-N 0 0 403.881 5.001 50 0 HKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 ZINC000012591235 568868247 /nfs/dbraw/zinc/86/82/47/568868247.db2.gz UWKVIRCDABXLPT-DEOSSOPVSA-N 0 0 420.509 5.246 50 0 HKAARN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)Cc1nccs1 ZINC000012593309 558436370 /nfs/dbraw/zinc/43/63/70/558436370.db2.gz YNBPCPOOWXTCIC-UHFFFAOYSA-N 0 0 410.493 5.214 50 0 HKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000012593450 568868658 /nfs/dbraw/zinc/86/86/58/568868658.db2.gz RWUADHFBPCTLES-UHFFFAOYSA-N 0 0 423.925 5.578 50 0 HKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012593596 132364773 /nfs/dbraw/zinc/36/47/73/132364773.db2.gz PFOPZZTWMWGRAH-UHFFFAOYSA-N 0 0 408.505 5.539 50 0 HKAARN COc1ccc(CN(C)Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)cc1 ZINC000012594502 568868760 /nfs/dbraw/zinc/86/87/60/568868760.db2.gz SLKSGPTYHXWDJE-UHFFFAOYSA-N 0 0 400.573 5.133 50 0 HKAARN CC(C)c1nc(CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000012594913 558437232 /nfs/dbraw/zinc/43/72/32/558437232.db2.gz RCSAOWKFYKTUDQ-UHFFFAOYSA-N 0 0 418.566 5.749 50 0 HKAARN Fc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C[C@@H]2CCCO2)cc1 ZINC000012595661 568869049 /nfs/dbraw/zinc/86/90/49/568869049.db2.gz JPXWLESTZXWCFR-HNNXBMFYSA-N 0 0 421.900 5.348 50 0 HKAARN c1ccc(-c2nnc(CSc3nc(C4CCCCC4)n(-c4ccccc4)n3)o2)cc1 ZINC000012595776 568868980 /nfs/dbraw/zinc/86/89/80/568868980.db2.gz WBSFEMLJJGZBAD-UHFFFAOYSA-N 0 0 417.538 5.657 50 0 HKAARN C[C@@H]1C[C@@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)C(=O)O1 ZINC000012595780 525283660 /nfs/dbraw/zinc/28/36/60/525283660.db2.gz HDLDVWWHTXLDSY-CRICUBBOSA-N 0 0 423.468 5.430 50 0 HKAARN C[C@H]1C[C@@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)C(=O)O1 ZINC000012595786 568868968 /nfs/dbraw/zinc/86/89/68/568868968.db2.gz HDLDVWWHTXLDSY-SSOJOUAXSA-N 0 0 423.468 5.430 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)C(=O)O1 ZINC000012595787 568869066 /nfs/dbraw/zinc/86/90/66/568869066.db2.gz HDLDVWWHTXLDSY-NSYGIPOTSA-N 0 0 423.468 5.430 50 0 HKAARN C[C@H]1C[C@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)C(=O)O1 ZINC000012595790 568869038 /nfs/dbraw/zinc/86/90/38/568869038.db2.gz HDLDVWWHTXLDSY-GKVSMKOHSA-N 0 0 423.468 5.430 50 0 HKAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2Cl)n1 ZINC000012595795 558437674 /nfs/dbraw/zinc/43/76/74/558437674.db2.gz VQOWXFRZSBIEEC-QHCPKHFHSA-N 0 0 401.897 5.313 50 0 HKAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2Cl)n1 ZINC000012595798 524184512 /nfs/dbraw/zinc/18/45/12/524184512.db2.gz VQOWXFRZSBIEEC-HSZRJFAPSA-N 0 0 401.897 5.313 50 0 HKAARN CN(Cc1ccncc1)c1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000012595846 523464466 /nfs/dbraw/zinc/46/44/66/523464466.db2.gz FHFUBVZGRRFAOG-UHFFFAOYSA-N 0 0 411.328 5.152 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012596062 558437797 /nfs/dbraw/zinc/43/77/97/558437797.db2.gz YLTABHPNYQPIET-MRXNPFEDSA-N 0 0 419.472 5.048 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012596067 558437780 /nfs/dbraw/zinc/43/77/80/558437780.db2.gz YLTABHPNYQPIET-INIZCTEOSA-N 0 0 419.472 5.048 50 0 HKAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3s2)nc1-c1ccccc1 ZINC000012596457 568869201 /nfs/dbraw/zinc/86/92/01/568869201.db2.gz YCYOKQWUJZFXCO-UHFFFAOYSA-N 0 0 408.504 5.454 50 0 HKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(Br)c3)cc2)cs1 ZINC000012596867 568869144 /nfs/dbraw/zinc/86/91/44/568869144.db2.gz IAEMJQLRBADXFV-GFCCVEGCSA-N 0 0 416.344 5.320 50 0 HKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(Br)c3)cc2)cs1 ZINC000012596872 568869125 /nfs/dbraw/zinc/86/91/25/568869125.db2.gz IAEMJQLRBADXFV-LBPRGKRZSA-N 0 0 416.344 5.320 50 0 HKAARN COc1cccc([C@@H]2CCCCN2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597252 558438193 /nfs/dbraw/zinc/43/81/93/558438193.db2.gz LAOHQJQXTOKLMV-QFIPXVFZSA-N 0 0 422.525 5.403 50 0 HKAARN COc1cccc([C@H]2CCCCN2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597256 558438234 /nfs/dbraw/zinc/43/82/34/558438234.db2.gz LAOHQJQXTOKLMV-JOCHJYFZSA-N 0 0 422.525 5.403 50 0 HKAARN CC(=O)c1cccc(NC(=O)[C@@H](Nc2ccc(Br)cc2)c2ccccc2)c1 ZINC000012597957 568869181 /nfs/dbraw/zinc/86/91/81/568869181.db2.gz MOSJNHHVAFSOAC-NRFANRHFSA-N 0 0 423.310 5.444 50 0 HKAARN CC(=O)c1cccc(NC(=O)[C@H](Nc2ccc(Br)cc2)c2ccccc2)c1 ZINC000012597958 568869128 /nfs/dbraw/zinc/86/91/28/568869128.db2.gz MOSJNHHVAFSOAC-OAQYLSRUSA-N 0 0 423.310 5.444 50 0 HKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1N1CCCCC1 ZINC000012598004 132364984 /nfs/dbraw/zinc/36/49/84/132364984.db2.gz GVYOBMUUQFBBDX-UHFFFAOYSA-N 0 0 406.357 5.054 50 0 HKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccccc2)o1 ZINC000012598717 568869327 /nfs/dbraw/zinc/86/93/27/568869327.db2.gz YALDDZCJHVZPQO-OLZOCXBDSA-N 0 0 424.551 5.826 50 0 HKAARN Cc1ccc(Nc2nc(CSc3ncc(C(F)(F)F)cc3Cl)cs2)cc1 ZINC000012598789 568869314 /nfs/dbraw/zinc/86/93/14/568869314.db2.gz JEKSSIUDXCNWFO-UHFFFAOYSA-N 0 0 415.893 6.555 50 0 HKAARN O=C(CCCSc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012598820 568869354 /nfs/dbraw/zinc/86/93/54/568869354.db2.gz XTDZXFOPYUGQJV-SFHVURJKSA-N 0 0 416.999 6.186 50 0 HKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)n1-c1ccccc1 ZINC000012598919 568869309 /nfs/dbraw/zinc/86/93/09/568869309.db2.gz HXTAHZCYGKCMSJ-JFIYKMOQSA-N 0 0 424.570 5.106 50 0 HKAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000012598920 568869315 /nfs/dbraw/zinc/86/93/15/568869315.db2.gz HXTAHZCYGKCMSJ-SOLBZPMBSA-N 0 0 424.570 5.106 50 0 HKAARN Cc1csc(-c2ccc(OCC(=O)N(Cc3ccco3)C3=CCCCC3)cc2)n1 ZINC000012598959 568869410 /nfs/dbraw/zinc/86/94/10/568869410.db2.gz KMANNIIVYHTZMI-UHFFFAOYSA-N 0 0 408.523 5.577 50 0 HKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000012599080 568869497 /nfs/dbraw/zinc/86/94/97/568869497.db2.gz PDJJACIDALHQHU-QHCPKHFHSA-N 0 0 401.510 5.126 50 0 HKAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000012599081 568869508 /nfs/dbraw/zinc/86/95/08/568869508.db2.gz PDJJACIDALHQHU-HSZRJFAPSA-N 0 0 401.510 5.126 50 0 HKAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012599146 132364968 /nfs/dbraw/zinc/36/49/68/132364968.db2.gz WBMXMXNJEBPUAX-UHFFFAOYSA-N 0 0 414.553 5.012 50 0 HKAARN Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012599174 568869524 /nfs/dbraw/zinc/86/95/24/568869524.db2.gz SKNYCDZXLHGMCD-MRXNPFEDSA-N 0 0 407.539 5.065 50 0 HKAARN Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012599175 568869527 /nfs/dbraw/zinc/86/95/27/568869527.db2.gz SKNYCDZXLHGMCD-INIZCTEOSA-N 0 0 407.539 5.065 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012599656 568869828 /nfs/dbraw/zinc/86/98/28/568869828.db2.gz RLBIDTCWEJEYCH-YGOYIFOWSA-N 0 0 408.538 5.443 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012599659 568869675 /nfs/dbraw/zinc/86/96/75/568869675.db2.gz RLBIDTCWEJEYCH-FOVJLYNBSA-N 0 0 408.538 5.443 50 0 HKAARN Cc1ccc([C@H](NC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1 ZINC000012599706 568869790 /nfs/dbraw/zinc/86/97/90/568869790.db2.gz NEJDHYHBCOLDPS-XMMPIXPASA-N 0 0 410.473 5.360 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000012599798 568869796 /nfs/dbraw/zinc/86/97/96/568869796.db2.gz UIFKZIBMYSLLNC-LQWHRVPQSA-N 0 0 404.522 5.185 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000012599800 568869717 /nfs/dbraw/zinc/86/97/17/568869717.db2.gz UIFKZIBMYSLLNC-OPYAIIAOSA-N 0 0 404.522 5.185 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000012599853 568869680 /nfs/dbraw/zinc/86/96/80/568869680.db2.gz FNGJGPPNHDHUKP-LBTNJELSSA-N 0 0 401.330 5.083 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000012600035 568869788 /nfs/dbraw/zinc/86/97/88/568869788.db2.gz FKYRYKQWMVKKNQ-UHFFFAOYSA-N 0 0 404.857 5.274 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000012600040 568869761 /nfs/dbraw/zinc/86/97/61/568869761.db2.gz GTFGNMZOJWMSTK-CYBMUJFWSA-N 0 0 418.324 5.476 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000012600117 568869541 /nfs/dbraw/zinc/86/95/41/568869541.db2.gz BXOLJAFMWWLPLB-KRWDZBQOSA-N 0 0 420.896 5.432 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000012600119 568869474 /nfs/dbraw/zinc/86/94/74/568869474.db2.gz BXOLJAFMWWLPLB-QGZVFWFLSA-N 0 0 420.896 5.432 50 0 HKAARN Cc1ccc(Sc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)c(C)c1 ZINC000012600124 568869561 /nfs/dbraw/zinc/86/95/61/568869561.db2.gz XFVQTPNJUPZTDI-UHFFFAOYSA-N 0 0 400.547 6.507 50 0 HKAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000012600135 568869586 /nfs/dbraw/zinc/86/95/86/568869586.db2.gz KCDNOKJCTAKDPI-UHFFFAOYSA-N 0 0 409.489 5.639 50 0 HKAARN CCCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1 ZINC000012600156 568869573 /nfs/dbraw/zinc/86/95/73/568869573.db2.gz UKRPUYHMTKWEBY-AREMUKBSSA-N 0 0 413.521 6.253 50 0 HKAARN CCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1 ZINC000012600158 568869486 /nfs/dbraw/zinc/86/94/86/568869486.db2.gz UKRPUYHMTKWEBY-SANMLTNESA-N 0 0 413.521 6.253 50 0 HKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)C1 ZINC000012600164 558438496 /nfs/dbraw/zinc/43/84/96/558438496.db2.gz BTOINODYNDCPMZ-IYBDPMFKSA-N 0 0 423.354 5.782 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000012600210 568869684 /nfs/dbraw/zinc/86/96/84/568869684.db2.gz DLCJUBBNLMHSKG-UHFFFAOYSA-N 0 0 415.877 5.449 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3c(Cl)cccc3Cl)cc12 ZINC000012600213 568869757 /nfs/dbraw/zinc/86/97/57/568869757.db2.gz BPXDJOVXVATHGT-UHFFFAOYSA-N 0 0 420.296 6.094 50 0 HKAARN O=C(Nc1ccn(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012600252 568869697 /nfs/dbraw/zinc/86/96/97/568869697.db2.gz GHIDFKJABJQIHG-UHFFFAOYSA-N 0 0 424.891 5.993 50 0 HKAARN COc1ccc(-c2nc3cc(OC)cc(OC)c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012600253 568869793 /nfs/dbraw/zinc/86/97/93/568869793.db2.gz ABJXZFPVZIQHNL-UHFFFAOYSA-N 0 0 411.461 5.471 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012600406 558438556 /nfs/dbraw/zinc/43/85/56/558438556.db2.gz ZLCWOFOQKDXWBO-UHFFFAOYSA-N 0 0 403.294 6.014 50 0 HKAARN CN(Cc1ccsc1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012600437 569402101 /nfs/dbraw/zinc/40/21/01/569402101.db2.gz MCZYRVLUPMKUSA-MDZDMXLPSA-N 0 0 419.575 5.393 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000012600507 568869867 /nfs/dbraw/zinc/86/98/67/568869867.db2.gz NRLCZUDRRBTFJS-RFWXGWTQSA-N 0 0 422.521 5.078 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000012600510 568869900 /nfs/dbraw/zinc/86/99/00/568869900.db2.gz NRLCZUDRRBTFJS-XQFWAAQXSA-N 0 0 422.521 5.078 50 0 HKAARN Cc1c(Cl)c(CSc2nnnn2-c2ccc(Cl)cc2)nc2ccccc12 ZINC000012600714 568869876 /nfs/dbraw/zinc/86/98/76/568869876.db2.gz SAUCDAGTSTXYOH-UHFFFAOYSA-N 0 0 402.310 5.118 50 0 HKAARN CC(=O)c1sc(-c2ccc(Nc3c(C)nn(-c4ccc(C)cc4)c3C)cc2)nc1C ZINC000012600906 568869939 /nfs/dbraw/zinc/86/99/39/568869939.db2.gz OFKLSUHUQIXBLA-UHFFFAOYSA-N 0 0 416.550 6.176 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 ZINC000012600980 568869923 /nfs/dbraw/zinc/86/99/23/568869923.db2.gz OZJAHOKMEMQVFF-IBGZPJMESA-N 0 0 421.478 5.119 50 0 HKAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 ZINC000012600981 568869879 /nfs/dbraw/zinc/86/98/79/568869879.db2.gz OZJAHOKMEMQVFF-LJQANCHMSA-N 0 0 421.478 5.119 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000012600994 568869929 /nfs/dbraw/zinc/86/99/29/568869929.db2.gz ICHPWTKGSWWOBH-JTHBVZDNSA-N 0 0 422.431 5.539 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000012600996 568869868 /nfs/dbraw/zinc/86/98/68/568869868.db2.gz ICHPWTKGSWWOBH-FYYLOGMGSA-N 0 0 422.431 5.539 50 0 HKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc(F)cc1F ZINC000012601064 568869942 /nfs/dbraw/zinc/86/99/42/568869942.db2.gz LVCWEOVMNRLLSE-UHFFFAOYSA-N 0 0 423.488 5.288 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccnn1C1CCCC1 ZINC000012601315 568870076 /nfs/dbraw/zinc/87/00/76/568870076.db2.gz IVJPLBZFMHVOFB-UHFFFAOYSA-N 0 0 402.907 5.037 50 0 HKAARN O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012601394 568870122 /nfs/dbraw/zinc/87/01/22/568870122.db2.gz NKGQRZUORNGFNI-OAQYLSRUSA-N 0 0 403.551 5.854 50 0 HKAARN O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012601396 568870136 /nfs/dbraw/zinc/87/01/36/568870136.db2.gz NKGQRZUORNGFNI-NRFANRHFSA-N 0 0 403.551 5.854 50 0 HKAARN O=C(c1ccc(COc2ccccc2)o1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012601423 568870093 /nfs/dbraw/zinc/87/00/93/568870093.db2.gz SNTJGEOYQSAPGH-HXUWFJFHSA-N 0 0 418.518 5.836 50 0 HKAARN O=C(c1ccc(COc2ccccc2)o1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012601426 568870072 /nfs/dbraw/zinc/87/00/72/568870072.db2.gz SNTJGEOYQSAPGH-FQEVSTJZSA-N 0 0 418.518 5.836 50 0 HKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccccc1Oc1ccccc1 ZINC000012601586 568870275 /nfs/dbraw/zinc/87/02/75/568870275.db2.gz XYECGAIPYRDPKT-UHFFFAOYSA-N 0 0 411.383 5.486 50 0 HKAARN CCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 ZINC000012601884 558438537 /nfs/dbraw/zinc/43/85/37/558438537.db2.gz WIQCSRRTTXIIAG-XDOYNYLZSA-N 0 0 417.372 6.020 50 0 HKAARN CCOc1ccc([C@@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000012602514 568870387 /nfs/dbraw/zinc/87/03/87/568870387.db2.gz MAZTZXWBVKULEA-OAHLLOKOSA-N 0 0 423.513 5.021 50 0 HKAARN CCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000012602517 568870399 /nfs/dbraw/zinc/87/03/99/568870399.db2.gz MAZTZXWBVKULEA-HNNXBMFYSA-N 0 0 423.513 5.021 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl ZINC000012602659 568870277 /nfs/dbraw/zinc/87/02/77/568870277.db2.gz QIDJGTBRBNXODQ-QHCPKHFHSA-N 0 0 418.928 5.005 50 0 HKAARN Cc1ccc(NC(=O)[C@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl ZINC000012602661 568870225 /nfs/dbraw/zinc/87/02/25/568870225.db2.gz QIDJGTBRBNXODQ-HSZRJFAPSA-N 0 0 418.928 5.005 50 0 HKAARN COc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1 ZINC000012602794 568870193 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C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012609337 568871505 /nfs/dbraw/zinc/87/15/05/568871505.db2.gz BUGFFRLHODBHOS-HNNXBMFYSA-N 0 0 416.468 5.487 50 0 HKAARN CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@](=O)CC)ccc21 ZINC000012609562 568871698 /nfs/dbraw/zinc/87/16/98/568871698.db2.gz JFTXSOXNLMMWAW-PMERELPUSA-N 0 0 418.562 5.214 50 0 HKAARN CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@@](=O)CC)ccc21 ZINC000012609563 568871709 /nfs/dbraw/zinc/87/17/09/568871709.db2.gz JFTXSOXNLMMWAW-SSEXGKCCSA-N 0 0 418.562 5.214 50 0 HKAARN Cc1sc(NC(=O)C2(c3ccccc3)CC2)nc1-c1ccc(Br)cc1 ZINC000012611640 568871646 /nfs/dbraw/zinc/87/16/46/568871646.db2.gz QFVAMCWCMBORNT-UHFFFAOYSA-N 0 0 413.340 5.551 50 0 HKAARN O=C(CC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1)NCc1ccccc1Cl ZINC000012612625 558438928 /nfs/dbraw/zinc/43/89/28/558438928.db2.gz BZPHLPKZYPTPFF-KRWDZBQOSA-N 0 0 424.928 5.035 50 0 HKAARN O=C(CC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1)NCc1ccccc1Cl ZINC000012612630 558438912 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Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3Cl)o2)cs1 ZINC000012619199 568872424 /nfs/dbraw/zinc/87/24/24/568872424.db2.gz FFZYPDPQHFLBOZ-UHFFFAOYSA-N 0 0 411.708 5.057 50 0 HKAARN Cc1ccc(Nc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)s2)c(C)c1 ZINC000012619366 568872550 /nfs/dbraw/zinc/87/25/50/568872550.db2.gz PNGWDRVTFFFNTN-UHFFFAOYSA-N 0 0 413.612 5.776 50 0 HKAARN Cc1cc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 ZINC000012619448 568872506 /nfs/dbraw/zinc/87/25/06/568872506.db2.gz WJUPMOFCSCYZFZ-HXUWFJFHSA-N 0 0 408.489 6.018 50 0 HKAARN Cc1cc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 ZINC000012619452 568872511 /nfs/dbraw/zinc/87/25/11/568872511.db2.gz WJUPMOFCSCYZFZ-FQEVSTJZSA-N 0 0 408.489 6.018 50 0 HKAARN COc1cc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012619748 569383698 /nfs/dbraw/zinc/38/36/98/569383698.db2.gz WDIPNYIARGNSIG-DTQAZKPQSA-N 0 0 420.490 5.074 50 0 HKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1 ZINC000012619782 568872468 /nfs/dbraw/zinc/87/24/68/568872468.db2.gz JPIIZFBRPRKQAW-UHFFFAOYSA-N 0 0 407.322 5.697 50 0 HKAARN O=C(OCc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012620053 568872459 /nfs/dbraw/zinc/87/24/59/568872459.db2.gz QQKKDAJUZRLQBR-UHFFFAOYSA-N 0 0 419.278 5.416 50 0 HKAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1cc(Cl)sc1Cl ZINC000012620143 568872438 /nfs/dbraw/zinc/87/24/38/568872438.db2.gz QPYVORCLVNEBIP-UHFFFAOYSA-N 0 0 411.339 5.018 50 0 HKAARN CC(C)c1nc2ccccc2n1Cc1ccc(Cn2c3ccccc3nc2C(C)C)cc1 ZINC000012620254 568872528 /nfs/dbraw/zinc/87/25/28/568872528.db2.gz WACMRUUVLVUELQ-UHFFFAOYSA-N 0 0 422.576 6.729 50 0 HKAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000012620272 568877197 /nfs/dbraw/zinc/87/71/97/568877197.db2.gz VCSUQBUIIMVFRT-WMLDXEAASA-N 0 0 407.564 5.611 50 0 HKAARN CCCc1ccc(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)cc1 ZINC000012620637 568877331 /nfs/dbraw/zinc/87/73/31/568877331.db2.gz SGWBBLUDLFDLJJ-UHFFFAOYSA-N 0 0 422.579 5.678 50 0 HKAARN O=C(OCc1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012621214 568877313 /nfs/dbraw/zinc/87/73/13/568877313.db2.gz WHGSJJXSRJXRCS-UHFFFAOYSA-N 0 0 423.299 6.203 50 0 HKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 ZINC000012621221 568877307 /nfs/dbraw/zinc/87/73/07/568877307.db2.gz IMDBJSDYIFHOAT-UHFFFAOYSA-N 0 0 423.560 5.284 50 0 HKAARN CCCOc1ccc(-c2csc(NC(=O)Cc3ccc4ccccc4c3)n2)cc1 ZINC000012621339 568877349 /nfs/dbraw/zinc/87/73/49/568877349.db2.gz BACROBRIZFFLKH-UHFFFAOYSA-N 0 0 402.519 5.933 50 0 HKAARN C[C@@H](NC(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc(-c2ccccc2)cc1 ZINC000012621842 568877464 /nfs/dbraw/zinc/87/74/64/568877464.db2.gz RZKJRUODHHVINP-OAHLLOKOSA-N 0 0 420.563 5.170 50 0 HKAARN C[C@H](NC(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc(-c2ccccc2)cc1 ZINC000012621844 568877389 /nfs/dbraw/zinc/87/73/89/568877389.db2.gz RZKJRUODHHVINP-HNNXBMFYSA-N 0 0 420.563 5.170 50 0 HKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 ZINC000012621944 568877421 /nfs/dbraw/zinc/87/74/21/568877421.db2.gz ULDXFQJNWDYVKV-CYBMUJFWSA-N 0 0 408.498 6.770 50 0 HKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 ZINC000012621947 568877362 /nfs/dbraw/zinc/87/73/62/568877362.db2.gz ULDXFQJNWDYVKV-ZDUSSCGKSA-N 0 0 408.498 6.770 50 0 HKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(cccc4F)c3C)n2)cc1 ZINC000012621950 568877428 /nfs/dbraw/zinc/87/74/28/568877428.db2.gz LGXHOMRPAXLHQL-CYBMUJFWSA-N 0 0 408.498 6.770 50 0 HKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(cccc4F)c3C)n2)cc1 ZINC000012621951 568877399 /nfs/dbraw/zinc/87/73/99/568877399.db2.gz LGXHOMRPAXLHQL-ZDUSSCGKSA-N 0 0 408.498 6.770 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000012622020 568877487 /nfs/dbraw/zinc/87/74/87/568877487.db2.gz XDZNXUIDPLMQMZ-UHFFFAOYSA-N 0 0 416.474 6.025 50 0 HKAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(C2SCCCS2)cc1 ZINC000012622226 568877497 /nfs/dbraw/zinc/87/74/97/568877497.db2.gz MMULYYNDQUXRCR-KRWDZBQOSA-N 0 0 405.585 5.661 50 0 HKAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(C2SCCCS2)cc1 ZINC000012622227 568877561 /nfs/dbraw/zinc/87/75/61/568877561.db2.gz MMULYYNDQUXRCR-QGZVFWFLSA-N 0 0 405.585 5.661 50 0 HKAARN COc1cccc(-c2nc(-c3ccc(CNC(=O)C(C)(C)C)s3)cs2)c1OC ZINC000012622370 568877592 /nfs/dbraw/zinc/87/75/92/568877592.db2.gz RDFKNUPZVZDNOY-UHFFFAOYSA-N 0 0 416.568 5.218 50 0 HKAARN CNc1ccccc1C(C)(C)c1cc(-c2cc(-c3cccs3)nc3ccccc32)n[nH]1 ZINC000012622410 568877568 /nfs/dbraw/zinc/87/75/68/568877568.db2.gz XFDOWGBOQMBQRY-UHFFFAOYSA-N 0 0 424.573 6.721 50 0 HKAARN O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000012622714 558439984 /nfs/dbraw/zinc/43/99/84/558439984.db2.gz LJLMKFKETGFPGN-UHFFFAOYSA-N 0 0 410.304 5.321 50 0 HKAARN O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000012622718 558440001 /nfs/dbraw/zinc/44/00/01/558440001.db2.gz FYJYGJDGCXWQQI-UHFFFAOYSA-N 0 0 410.304 5.321 50 0 HKAARN C[C@@H](NC(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 ZINC000012623080 568877607 /nfs/dbraw/zinc/87/76/07/568877607.db2.gz BQYQPQRAFKFYBJ-LJQANCHMSA-N 0 0 415.562 5.249 50 0 HKAARN C[C@H](NC(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 ZINC000012623082 568877550 /nfs/dbraw/zinc/87/75/50/568877550.db2.gz BQYQPQRAFKFYBJ-IBGZPJMESA-N 0 0 415.562 5.249 50 0 HKAARN Fc1ccc(-c2cnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 ZINC000012623340 568877690 /nfs/dbraw/zinc/87/76/90/568877690.db2.gz RONRFBAQDQTSNZ-UHFFFAOYSA-N 0 0 406.486 5.290 50 0 HKAARN COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Cl)cc1Cl ZINC000012623400 568877784 /nfs/dbraw/zinc/87/77/84/568877784.db2.gz IDJLUYAPOKTPSF-UHFFFAOYSA-N 0 0 419.102 5.090 50 0 HKAARN Cc1cccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)c1C ZINC000012623500 568877768 /nfs/dbraw/zinc/87/77/68/568877768.db2.gz IEAMZUSFRXIUES-UHFFFAOYSA-N 0 0 423.896 5.331 50 0 HKAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000012623585 132365302 /nfs/dbraw/zinc/36/53/02/132365302.db2.gz VXNOXLSEFHGIPV-UHFFFAOYSA-N 0 0 418.868 5.150 50 0 HKAARN COc1ccc(NC(=O)[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000012623772 568877716 /nfs/dbraw/zinc/87/77/16/568877716.db2.gz 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ZINC000012625587 568878290 /nfs/dbraw/zinc/87/82/90/568878290.db2.gz GIBQXPZYYHISFD-GOSISDBHSA-N 0 0 413.546 5.306 50 0 HKAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1c2ccccc2nc1SCc1ccccc1 ZINC000012625589 568878305 /nfs/dbraw/zinc/87/83/05/568878305.db2.gz GIBQXPZYYHISFD-SFHVURJKSA-N 0 0 413.546 5.306 50 0 HKAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012626168 568878630 /nfs/dbraw/zinc/87/86/30/568878630.db2.gz VPWYMEAMCJVEMD-DEOSSOPVSA-N 0 0 413.546 5.081 50 0 HKAARN O=C(NCc1ccc(Cn2cccn2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012626169 568878603 /nfs/dbraw/zinc/87/86/03/568878603.db2.gz VPWYMEAMCJVEMD-XMMPIXPASA-N 0 0 413.546 5.081 50 0 HKAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000012627855 558440627 /nfs/dbraw/zinc/44/06/27/558440627.db2.gz ICIUJKUCVMZMDX-FQEVSTJZSA-N 0 0 413.496 5.361 50 0 HKAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000012627857 558440490 /nfs/dbraw/zinc/44/04/90/558440490.db2.gz ICIUJKUCVMZMDX-HXUWFJFHSA-N 0 0 413.496 5.361 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000012628057 558440620 /nfs/dbraw/zinc/44/06/20/558440620.db2.gz XASIAGYWHIEUJH-WQRHYEAKSA-N 0 0 424.269 5.660 50 0 HKAARN Cn1c(C[C@@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 ZINC000012628143 558440585 /nfs/dbraw/zinc/44/05/85/558440585.db2.gz WXMYGSOYVLPYFZ-HXUWFJFHSA-N 0 0 423.438 5.306 50 0 HKAARN Cn1c(C[C@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 ZINC000012628146 558440597 /nfs/dbraw/zinc/44/05/97/558440597.db2.gz WXMYGSOYVLPYFZ-FQEVSTJZSA-N 0 0 423.438 5.306 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000012628377 558440818 /nfs/dbraw/zinc/44/08/18/558440818.db2.gz MEIFYAVYDJRNRA-WQRHYEAKSA-N 0 0 424.269 5.660 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000012628516 558440810 /nfs/dbraw/zinc/44/08/10/558440810.db2.gz BXDXGJPVKCDVIJ-MOSHPQCFSA-N 0 0 424.283 5.917 50 0 HKAARN CCCc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 ZINC000012628576 558440825 /nfs/dbraw/zinc/44/08/25/558440825.db2.gz BAWALLWOICGMDI-UHFFFAOYSA-N 0 0 401.535 5.831 50 0 HKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N[C@H](c1ccccc1)C1CC1 ZINC000012628599 558440822 /nfs/dbraw/zinc/44/08/22/558440822.db2.gz CFJRSLOCSHHXEC-JOCHJYFZSA-N 0 0 405.498 5.012 50 0 HKAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N[C@@H](c1ccccc1)C1CC1 ZINC000012628601 558440860 /nfs/dbraw/zinc/44/08/60/558440860.db2.gz CFJRSLOCSHHXEC-QFIPXVFZSA-N 0 0 405.498 5.012 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000012628640 558440811 /nfs/dbraw/zinc/44/08/11/558440811.db2.gz QKXUYJBSSMTSOO-MFOYZWKCSA-N 0 0 414.263 6.204 50 0 HKAARN Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(F)cc3)C(=O)O2)cc1Cl ZINC000012628686 558440821 /nfs/dbraw/zinc/44/08/21/558440821.db2.gz BNHDXQUTJBXXGG-FYJGNVAPSA-N 0 0 421.855 5.711 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628809 558440834 /nfs/dbraw/zinc/44/08/34/558440834.db2.gz PHLYOGOQMXAWIW-QFQXNSOFSA-N 0 0 424.548 5.520 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628812 558441112 /nfs/dbraw/zinc/44/11/12/558441112.db2.gz PHLYOGOQMXAWIW-HFZDXXHNSA-N 0 0 424.548 5.520 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628815 558441080 /nfs/dbraw/zinc/44/10/80/558441080.db2.gz PHLYOGOQMXAWIW-RLWLMLJZSA-N 0 0 424.548 5.520 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628818 558441099 /nfs/dbraw/zinc/44/10/99/558441099.db2.gz PHLYOGOQMXAWIW-LVXARBLLSA-N 0 0 424.548 5.520 50 0 HKAARN O=C(CSc1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012628925 558441055 /nfs/dbraw/zinc/44/10/55/558441055.db2.gz SWRRVFFGYNUFSM-MRXNPFEDSA-N 0 0 406.338 5.326 50 0 HKAARN O=C(CSc1c(Cl)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012628927 558441180 /nfs/dbraw/zinc/44/11/80/558441180.db2.gz SWRRVFFGYNUFSM-INIZCTEOSA-N 0 0 406.338 5.326 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000012629036 558441035 /nfs/dbraw/zinc/44/10/35/558441035.db2.gz CZURFDOVTVSPDD-UHFFFAOYSA-N 0 0 424.913 5.440 50 0 HKAARN Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000012629066 558441091 /nfs/dbraw/zinc/44/10/91/558441091.db2.gz MIWJXGFAHNWGFU-UHFFFAOYSA-N 0 0 411.119 6.620 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1Cl ZINC000012629356 560783185 /nfs/dbraw/zinc/78/31/85/560783185.db2.gz JFRMDORMCNJRQR-UHFFFAOYSA-N 0 0 419.264 5.165 50 0 HKAARN Cc1cc(Br)ccc1OCc1nc(-c2ccc(Br)cc2)no1 ZINC000012629413 558441311 /nfs/dbraw/zinc/44/13/11/558441311.db2.gz LPOPBRUSFIITAH-UHFFFAOYSA-N 0 0 424.092 5.149 50 0 HKAARN O=C1[C@@H]2CCCC[C@@H]2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1Cc1ccccc1 ZINC000012629835 560884484 /nfs/dbraw/zinc/88/44/84/560884484.db2.gz BAQBVTVZDSFUCF-JWZKTCGFSA-N 0 0 420.556 6.725 50 0 HKAARN O=C1[C@@H]2CCCC[C@H]2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1Cc1ccccc1 ZINC000012629838 560884550 /nfs/dbraw/zinc/88/45/50/560884550.db2.gz BAQBVTVZDSFUCF-MRJKTFCFSA-N 0 0 420.556 6.725 50 0 HKAARN Clc1ccccc1CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 ZINC000012629993 558441309 /nfs/dbraw/zinc/44/13/09/558441309.db2.gz DIYJJGKRPOHVMU-UHFFFAOYSA-N 0 0 401.901 5.295 50 0 HKAARN COc1ccc(-c2cc(C(=O)OCc3cn4cccc(C)c4n3)c3ccccc3n2)cc1 ZINC000012630096 568883204 /nfs/dbraw/zinc/88/32/04/568883204.db2.gz SMUQTTWNZVMHNX-UHFFFAOYSA-N 0 0 423.472 5.224 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000012630413 558441604 /nfs/dbraw/zinc/44/16/04/558441604.db2.gz SAUXVURRSIYLGJ-DEOSSOPVSA-N 0 0 400.909 5.918 50 0 HKAARN Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3Br)s2)c1 ZINC000012630641 558441615 /nfs/dbraw/zinc/44/16/15/558441615.db2.gz WUOULDMURZSBCD-UHFFFAOYSA-N 0 0 420.357 5.154 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000012630681 558441602 /nfs/dbraw/zinc/44/16/02/558441602.db2.gz HDFPNYPNJFVTRL-OAQYLSRUSA-N 0 0 400.522 5.269 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000012630729 558441771 /nfs/dbraw/zinc/44/17/71/558441771.db2.gz MKANYNKOCMLUEN-FQEVSTJZSA-N 0 0 409.411 5.296 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000012630909 558441849 /nfs/dbraw/zinc/44/18/49/558441849.db2.gz XRBSGYJKUVMBEK-UHFFFAOYSA-N 0 0 422.484 6.526 50 0 HKAARN COc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC ZINC000012631485 558442030 /nfs/dbraw/zinc/44/20/30/558442030.db2.gz MKMUPXAVPFGJGV-UHFFFAOYSA-N 0 0 414.505 6.053 50 0 HKAARN Brc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-c1ccccc1 ZINC000012631648 558442043 /nfs/dbraw/zinc/44/20/43/558442043.db2.gz ABBSCUGKOHTYBN-UHFFFAOYSA-N 0 0 404.263 6.060 50 0 HKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)cc2)cs1 ZINC000012632340 558442373 /nfs/dbraw/zinc/44/23/73/558442373.db2.gz DSZJYTUBYDWHLI-GFCCVEGCSA-N 0 0 405.445 5.576 50 0 HKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)cc2)cs1 ZINC000012632342 558442366 /nfs/dbraw/zinc/44/23/66/558442366.db2.gz DSZJYTUBYDWHLI-LBPRGKRZSA-N 0 0 405.445 5.576 50 0 HKAARN Clc1ccc(Oc2cccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2)cc1 ZINC000012632492 568883677 /nfs/dbraw/zinc/88/36/77/568883677.db2.gz UQFHXNCLGOUBKU-UHFFFAOYSA-N 0 0 422.915 7.856 50 0 HKAARN O=C(Cc1ccc(Cl)cc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012632895 558442336 /nfs/dbraw/zinc/44/23/36/558442336.db2.gz DAKIYSOXCKGKLN-NRFANRHFSA-N 0 0 424.331 5.512 50 0 HKAARN Cc1sc2nc(CSc3ccccc3)nc(NCCCn3ccnc3)c2c1C ZINC000012633287 558442378 /nfs/dbraw/zinc/44/23/78/558442378.db2.gz DTAPZDKLQQOBFX-UHFFFAOYSA-N 0 0 409.584 5.299 50 0 HKAARN O=C1c2ccccc2N[C@H](c2ccccc2OCc2ccccc2)N1Cc1ccco1 ZINC000012633304 558442355 /nfs/dbraw/zinc/44/23/55/558442355.db2.gz GSVPGKXYRKUQSG-VWLOTQADSA-N 0 0 410.473 5.625 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2ccccc2OCc2ccccc2)N1Cc1ccco1 ZINC000012633306 558442320 /nfs/dbraw/zinc/44/23/20/558442320.db2.gz GSVPGKXYRKUQSG-RUZDIDTESA-N 0 0 410.473 5.625 50 0 HKAARN COc1cc2c(cc1Nc1ncnc3sc(-c4ccccc4)cc31)oc1ccccc12 ZINC000012633331 558442370 /nfs/dbraw/zinc/44/23/70/558442370.db2.gz KQFRZJWPKGVVJP-UHFFFAOYSA-N 0 0 423.497 7.010 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012633665 558442562 /nfs/dbraw/zinc/44/25/62/558442562.db2.gz XWKDSBATYAIZCR-UHFFFAOYSA-N 0 0 410.908 6.558 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012633674 558442553 /nfs/dbraw/zinc/44/25/53/558442553.db2.gz LKVPRRMNZMKLKV-UHFFFAOYSA-N 0 0 418.544 6.581 50 0 HKAARN Cc1nc(N2CCCCC2)sc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012633680 558442504 /nfs/dbraw/zinc/44/25/04/558442504.db2.gz ZNZKDHHACJFGLR-UHFFFAOYSA-N 0 0 400.551 6.166 50 0 HKAARN O=C1CCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000012633789 558442508 /nfs/dbraw/zinc/44/25/08/558442508.db2.gz JEIAUDVQBPIHPG-LJQANCHMSA-N 0 0 408.914 5.283 50 0 HKAARN O=C1CCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000012633792 558442559 /nfs/dbraw/zinc/44/25/59/558442559.db2.gz JEIAUDVQBPIHPG-IBGZPJMESA-N 0 0 408.914 5.283 50 0 HKAARN COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2-c2nc3ccccc3n2C)cc1 ZINC000012634172 568883638 /nfs/dbraw/zinc/88/36/38/568883638.db2.gz IGPADYZVXGYOKR-UHFFFAOYSA-N 0 0 424.504 5.325 50 0 HKAARN CCc1nnc(NC(=O)Cc2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)s1 ZINC000012634411 558442603 /nfs/dbraw/zinc/44/26/03/558442603.db2.gz KYDHGZKBEDNABZ-UHFFFAOYSA-N 0 0 422.941 5.459 50 0 HKAARN CC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1 ZINC000012634703 568883752 /nfs/dbraw/zinc/88/37/52/568883752.db2.gz JHLUFDZWGYDBID-UHFFFAOYSA-N 0 0 420.218 5.021 50 0 HKAARN COc1ccc2cc(CNc3ccc(NC(C)=O)cc3C(F)(F)F)c(Cl)nc2c1 ZINC000012634705 558442771 /nfs/dbraw/zinc/44/27/71/558442771.db2.gz GDCZYEQXSARVKZ-UHFFFAOYSA-N 0 0 423.822 5.486 50 0 HKAARN CCc1ccccc1NC(=O)CNc1ccc(OC)c(Oc2ccc(OC)cc2)c1 ZINC000012634708 558442785 /nfs/dbraw/zinc/44/27/85/558442785.db2.gz OPJZQEUSUUUDFH-UHFFFAOYSA-N 0 0 406.482 5.109 50 0 HKAARN Cn1c(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)nnc1-c1ccco1 ZINC000012634992 558442727 /nfs/dbraw/zinc/44/27/27/558442727.db2.gz RABHGLVPYJMQHL-OAQYLSRUSA-N 0 0 423.469 5.114 50 0 HKAARN COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC(=O)c1ccc(F)cc1 ZINC000012635027 560783173 /nfs/dbraw/zinc/78/31/73/560783173.db2.gz OPPWVXUKQJZHGX-VCHYOVAHSA-N 0 0 423.827 5.200 50 0 HKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012635461 568883912 /nfs/dbraw/zinc/88/39/12/568883912.db2.gz ZGFVQEWFUWXOMR-UHFFFAOYSA-N 0 0 423.303 6.490 50 0 HKAARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000012635469 558442802 /nfs/dbraw/zinc/44/28/02/558442802.db2.gz PNDVOOOMHVCBTR-UHFFFAOYSA-N 0 0 422.463 6.476 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccc(C)cc2)on1 ZINC000012635936 568883903 /nfs/dbraw/zinc/88/39/03/568883903.db2.gz MJXZNGYIYIJRJC-UHFFFAOYSA-N 0 0 407.857 5.197 50 0 HKAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012636424 568883908 /nfs/dbraw/zinc/88/39/08/568883908.db2.gz ROYMRMVJHVPYQO-UHFFFAOYSA-N 0 0 415.320 5.777 50 0 HKAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(F)c(Cl)c1 ZINC000012636528 558442723 /nfs/dbraw/zinc/44/27/23/558442723.db2.gz XUWLCYVJEOCUKC-UHFFFAOYSA-N 0 0 413.861 5.168 50 0 HKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1ccc(Cl)cc1 ZINC000012636572 132365536 /nfs/dbraw/zinc/36/55/36/132365536.db2.gz YROCOAZPCGRWNH-UHFFFAOYSA-N 0 0 423.921 5.759 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccc(F)cc2)on1 ZINC000012636972 568883738 /nfs/dbraw/zinc/88/37/38/568883738.db2.gz LMKBDNOQFPUVJY-UHFFFAOYSA-N 0 0 411.820 5.028 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccccc2)cc1 ZINC000012637061 558443039 /nfs/dbraw/zinc/44/30/39/558443039.db2.gz ZWUKRLCMHAOLSI-UHFFFAOYSA-N 0 0 410.520 5.156 50 0 HKAARN CCc1ccc2nc(NC(=O)C3C[C@H]4CC[C@@H](C3)C43SCCS3)sc2c1 ZINC000012637331 568883645 /nfs/dbraw/zinc/88/36/45/568883645.db2.gz WHADOJOIIGKMTG-GOOCMWNKSA-N 0 0 404.626 5.410 50 0 HKAARN O=C(Nc1ccccc1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012637335 568883699 /nfs/dbraw/zinc/88/36/99/568883699.db2.gz GJNXSYIXLRARNV-SEJPIABJSA-N 0 0 409.620 5.828 50 0 HKAARN COc1cccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)c1 ZINC000012637455 568883664 /nfs/dbraw/zinc/88/36/64/568883664.db2.gz CKQFLGZBQJULLT-UHFFFAOYSA-N 0 0 410.901 5.132 50 0 HKAARN O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000012637483 558442936 /nfs/dbraw/zinc/44/29/36/558442936.db2.gz XWKXABYDOKXVOD-UHFFFAOYSA-N 0 0 410.304 5.321 50 0 HKAARN Cc1cccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2-c2ccccc2)c1 ZINC000012637946 568884070 /nfs/dbraw/zinc/88/40/70/568884070.db2.gz NRMWVRUSMNFVHD-UHFFFAOYSA-N 0 0 424.529 5.699 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012637966 568884059 /nfs/dbraw/zinc/88/40/59/568884059.db2.gz SHRMLUJIIWZJST-UHFFFAOYSA-N 0 0 418.543 6.333 50 0 HKAARN COc1ccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1 ZINC000012638186 568884100 /nfs/dbraw/zinc/88/41/00/568884100.db2.gz WTWDWWAIWUBBQK-UHFFFAOYSA-N 0 0 410.901 5.132 50 0 HKAARN Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 ZINC000012638203 568884022 /nfs/dbraw/zinc/88/40/22/568884022.db2.gz IDAWHFZWXUYRKV-UHFFFAOYSA-N 0 0 420.292 5.022 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1csc(-c2ccc(C)cc2)n1 ZINC000012639398 568884038 /nfs/dbraw/zinc/88/40/38/568884038.db2.gz ISLOVXMMUFBSLJ-UHFFFAOYSA-N 0 0 423.925 5.623 50 0 HKAARN COc1ccc2cc(CNc3cccc(NC(=O)c4ccco4)c3)c(Cl)nc2c1 ZINC000012639418 568884086 /nfs/dbraw/zinc/88/40/86/568884086.db2.gz JQBIRMNDZJCIHR-UHFFFAOYSA-N 0 0 407.857 5.354 50 0 HKAARN NC(=O)COc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1 ZINC000012639565 568884101 /nfs/dbraw/zinc/88/41/01/568884101.db2.gz UULWIKOXZRKKEC-UHFFFAOYSA-N 0 0 406.844 5.225 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 ZINC000012640422 568885306 /nfs/dbraw/zinc/88/53/06/568885306.db2.gz FFIIJDAGXYUHJM-CYBMUJFWSA-N 0 0 407.436 5.228 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 ZINC000012640425 568885400 /nfs/dbraw/zinc/88/54/00/568885400.db2.gz FFIIJDAGXYUHJM-ZDUSSCGKSA-N 0 0 407.436 5.228 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012640832 568885294 /nfs/dbraw/zinc/88/52/94/568885294.db2.gz OAJAXYGDLJETFS-UHFFFAOYSA-N 0 0 424.935 6.867 50 0 HKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2Cc2ccccc2)cc1C ZINC000012643339 568885592 /nfs/dbraw/zinc/88/55/92/568885592.db2.gz XQVRETDNRQCHSB-UHFFFAOYSA-N 0 0 424.569 6.693 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2nc(-c3cccs3)cs2)cc1OCC ZINC000012644807 568885604 /nfs/dbraw/zinc/88/56/04/568885604.db2.gz HNSKTFOIECIQJY-UHFFFAOYSA-N 0 0 422.959 5.965 50 0 HKAARN c1ccc(SCc2nc3sc4c(c3c(NCc3ccccn3)n2)CCC4)cc1 ZINC000012644862 568885520 /nfs/dbraw/zinc/88/55/20/568885520.db2.gz NCWTTWIWULUAJO-UHFFFAOYSA-N 0 0 404.564 5.479 50 0 HKAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000012645142 568885649 /nfs/dbraw/zinc/88/56/49/568885649.db2.gz SVAKDOWPDMOOEO-KPKJPENVSA-N 0 0 400.478 6.372 50 0 HKAARN O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000012645201 568885476 /nfs/dbraw/zinc/88/54/76/568885476.db2.gz XRSSPISBLDCVQB-UHFFFAOYSA-N 0 0 421.884 5.721 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(NC(C)=O)cc2)cc1Cl ZINC000012645834 536666082 /nfs/dbraw/zinc/66/60/82/536666082.db2.gz KVRYZFADESBFSK-QFIPXVFZSA-N 0 0 421.884 5.078 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(NC(C)=O)cc2)cc1Cl ZINC000012645835 536666243 /nfs/dbraw/zinc/66/62/43/536666243.db2.gz KVRYZFADESBFSK-JOCHJYFZSA-N 0 0 421.884 5.078 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC ZINC000012648172 568885939 /nfs/dbraw/zinc/88/59/39/568885939.db2.gz QJXGMWAYSZVAII-UHFFFAOYSA-N 0 0 405.932 5.150 50 0 HKAARN CSc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000012648632 568885933 /nfs/dbraw/zinc/88/59/33/568885933.db2.gz QTVPAAYXOOOSMJ-UHFFFAOYSA-N 0 0 416.596 7.217 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000012649450 558443630 /nfs/dbraw/zinc/44/36/30/558443630.db2.gz HMXVEDOBUCVTKW-LINZTHPZSA-N 0 0 412.965 5.379 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000012649454 558443626 /nfs/dbraw/zinc/44/36/26/558443626.db2.gz HMXVEDOBUCVTKW-UIBVPNSUSA-N 0 0 412.965 5.379 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000012649517 568886093 /nfs/dbraw/zinc/88/60/93/568886093.db2.gz BMIKUSXHDHYBRR-UHFFFAOYSA-N 0 0 413.521 5.686 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)ccc1Br ZINC000012650028 568885953 /nfs/dbraw/zinc/88/59/53/568885953.db2.gz MKIMENOIGOSZCV-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000012650673 132365748 /nfs/dbraw/zinc/36/57/48/132365748.db2.gz QMQXJMAHLPOFBN-HDICACEKSA-N 0 0 424.566 5.012 50 0 HKAARN O=C1N=C(c2ccc(Cl)cc2)C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1 ZINC000012650953 568906409 /nfs/dbraw/zinc/90/64/09/568906409.db2.gz FXSJEEQHTMCCRM-NRFANRHFSA-N 0 0 418.859 5.278 50 0 HKAARN O=C1N=C(c2ccc(Cl)cc2)C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(F)cc2)N1 ZINC000012650957 568906439 /nfs/dbraw/zinc/90/64/39/568906439.db2.gz FXSJEEQHTMCCRM-OAQYLSRUSA-N 0 0 418.859 5.278 50 0 HKAARN Cc1cc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000012650971 568906421 /nfs/dbraw/zinc/90/64/21/568906421.db2.gz MTFDZSANNWMCLJ-ZIAGYGMSSA-N 0 0 419.377 6.208 50 0 HKAARN Cc1cc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000012650974 568906413 /nfs/dbraw/zinc/90/64/13/568906413.db2.gz MTFDZSANNWMCLJ-UONOGXRCSA-N 0 0 419.377 6.208 50 0 HKAARN Cc1cc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000012650978 568906499 /nfs/dbraw/zinc/90/64/99/568906499.db2.gz MTFDZSANNWMCLJ-KGLIPLIRSA-N 0 0 419.377 6.208 50 0 HKAARN Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000012650982 568906528 /nfs/dbraw/zinc/90/65/28/568906528.db2.gz MTFDZSANNWMCLJ-KBPBESRZSA-N 0 0 419.377 6.208 50 0 HKAARN CC(C)[C@@H](Nc1c(=O)[nH]c2ccccc2c1Nc1ccccc1)c1ccc(F)cc1 ZINC000012651051 568906554 /nfs/dbraw/zinc/90/65/54/568906554.db2.gz YMLMDGJSQAZGDD-JOCHJYFZSA-N 0 0 401.485 6.220 50 0 HKAARN CC(C)[C@H](Nc1c(=O)[nH]c2ccccc2c1Nc1ccccc1)c1ccc(F)cc1 ZINC000012651055 568906521 /nfs/dbraw/zinc/90/65/21/568906521.db2.gz YMLMDGJSQAZGDD-QFIPXVFZSA-N 0 0 401.485 6.220 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000012651105 558443827 /nfs/dbraw/zinc/44/38/27/558443827.db2.gz HBDPXQIWJJKHDT-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C ZINC000012651111 558443797 /nfs/dbraw/zinc/44/37/97/558443797.db2.gz RLOTWLMKMFSRGF-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000012651113 560784035 /nfs/dbraw/zinc/78/40/35/560784035.db2.gz JLVOEJBTMRWQSK-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl ZINC000012651126 558444021 /nfs/dbraw/zinc/44/40/21/558444021.db2.gz AOXSWZWRTGMUCS-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C(C)C)c2n1 ZINC000012651137 568906471 /nfs/dbraw/zinc/90/64/71/568906471.db2.gz TXKXSMSUGUPTPF-UHFFFAOYSA-N 0 0 403.309 5.991 50 0 HKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 ZINC000012651138 560784142 /nfs/dbraw/zinc/78/41/42/560784142.db2.gz VUZZNSQUYSMSFG-UHFFFAOYSA-N 0 0 414.505 6.442 50 0 HKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)oc2c(C)c1 ZINC000012651151 558443970 /nfs/dbraw/zinc/44/39/70/558443970.db2.gz SWDAFMHESJIODY-UHFFFAOYSA-N 0 0 420.896 6.091 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000012651217 558443992 /nfs/dbraw/zinc/44/39/92/558443992.db2.gz SEZMIRZBEZAEJF-UHFFFAOYSA-N 0 0 402.475 5.295 50 0 HKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccc(F)c1 ZINC000012651232 558443957 /nfs/dbraw/zinc/44/39/57/558443957.db2.gz ZMGCEOUHSACEOQ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1C ZINC000012651260 560784198 /nfs/dbraw/zinc/78/41/98/560784198.db2.gz NZXZKSXTCGFOMN-UHFFFAOYSA-N 0 0 400.478 6.188 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 ZINC000012651263 558444024 /nfs/dbraw/zinc/44/40/24/558444024.db2.gz XSSDXKYFMOZINA-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000012651269 560784182 /nfs/dbraw/zinc/78/41/82/560784182.db2.gz UEGHGZFFAJHPNE-UHFFFAOYSA-N 0 0 400.478 5.989 50 0 HKAARN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccnc1 ZINC000012651316 558443952 /nfs/dbraw/zinc/44/39/52/558443952.db2.gz TUGHWFJPCJGVSH-GQCTYLIASA-N 0 0 418.305 5.175 50 0 HKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012651338 568906740 /nfs/dbraw/zinc/90/67/40/568906740.db2.gz FAWKUZKAQDVQOV-UHFFFAOYSA-N 0 0 423.582 5.362 50 0 HKAARN CC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000012651444 568906724 /nfs/dbraw/zinc/90/67/24/568906724.db2.gz SESDKGNWAYWFOE-UHFFFAOYSA-N 0 0 403.265 5.070 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3ccc4ccccc4n3)cc12 ZINC000012651494 568906630 /nfs/dbraw/zinc/90/66/30/568906630.db2.gz HCWIUQPTXYBKDR-UHFFFAOYSA-N 0 0 412.496 6.611 50 0 HKAARN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000012651570 558443962 /nfs/dbraw/zinc/44/39/62/558443962.db2.gz DTNUTXDRUVAHAI-UHFFFAOYSA-N 0 0 422.824 5.143 50 0 HKAARN Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4F)cc(C)c3O)oc2cc1C ZINC000012651600 558444015 /nfs/dbraw/zinc/44/40/15/558444015.db2.gz MOZWFHGDWDERMW-UHFFFAOYSA-N 0 0 420.440 5.282 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000012651803 132365738 /nfs/dbraw/zinc/36/57/38/132365738.db2.gz HEPCGIJOZTXOKR-UYRXBGFRSA-N 0 0 423.394 5.049 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3)C2=O)cc1C ZINC000012651809 132365730 /nfs/dbraw/zinc/36/57/30/132365730.db2.gz YLSKOLHRJGLCJD-HYARGMPZSA-N 0 0 402.881 5.597 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(Cl)c3C)C2=O)cc1C ZINC000012651854 132365732 /nfs/dbraw/zinc/36/57/32/132365732.db2.gz FVTMRVLUXGDQQC-STZFKDTASA-N 0 0 416.908 5.905 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)n1 ZINC000012651865 132365750 /nfs/dbraw/zinc/36/57/50/132365750.db2.gz XUVHEKSKCNKNGY-XDHOZWIPSA-N 0 0 424.287 5.337 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(F)cc3Cl)C2=O)c(C)c1 ZINC000012651869 132365731 /nfs/dbraw/zinc/36/57/31/132365731.db2.gz HELRUSLHISLDRI-UYRXBGFRSA-N 0 0 420.871 5.736 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000012651879 132365760 /nfs/dbraw/zinc/36/57/60/132365760.db2.gz KVCUSQXBEFUJSS-ZHZULCJRSA-N 0 0 416.908 5.905 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000012651886 132365884 /nfs/dbraw/zinc/36/58/84/132365884.db2.gz HTYGQNVUALZHHC-ATVHPVEESA-N 0 0 424.287 5.337 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc4ccccc43)C2=O)c(C)c1 ZINC000012651905 132365876 /nfs/dbraw/zinc/36/58/76/132365876.db2.gz MEWDXCNSJISZCU-JJIBRWJFSA-N 0 0 418.496 6.097 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(F)c(Cl)c3)C2=O)cc1C ZINC000012651928 132365823 /nfs/dbraw/zinc/36/58/23/132365823.db2.gz ZBEAOUQZMPQTPI-DEDYPNTBSA-N 0 0 420.871 5.736 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(F)c(Cl)c3)C2=O)c(C)c1 ZINC000012651937 132365889 /nfs/dbraw/zinc/36/58/89/132365889.db2.gz QSGVJPXZOOUMQZ-UYRXBGFRSA-N 0 0 420.871 5.736 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(F)cc3Cl)C2=O)cc1C ZINC000012651952 132365827 /nfs/dbraw/zinc/36/58/27/132365827.db2.gz RJEPNASCPUBLEA-DEDYPNTBSA-N 0 0 420.871 5.736 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000012651961 132365835 /nfs/dbraw/zinc/36/58/35/132365835.db2.gz NFIPTFRDBUJLEX-STZFKDTASA-N 0 0 402.881 5.597 50 0 HKAARN S=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(Cl)cc1Cl ZINC000012652186 568906641 /nfs/dbraw/zinc/90/66/41/568906641.db2.gz YTXXFFZTGCGNKP-UHFFFAOYSA-N 0 0 413.333 6.346 50 0 HKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)Nc1ccccc1OC)n2C ZINC000012652705 558443959 /nfs/dbraw/zinc/44/39/59/558443959.db2.gz NTDYPVMJWKCPJL-UHFFFAOYSA-N 0 0 418.924 6.322 50 0 HKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1cccc(C)c1)n2C ZINC000012652713 558443968 /nfs/dbraw/zinc/44/39/68/558443968.db2.gz MPESCSSNYFSDGB-UHFFFAOYSA-N 0 0 416.952 6.300 50 0 HKAARN CCOc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000012652803 558444322 /nfs/dbraw/zinc/44/43/22/558444322.db2.gz SPCDDTFOMCCERF-LICLKQGHSA-N 0 0 408.306 5.629 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000012652840 132365867 /nfs/dbraw/zinc/36/58/67/132365867.db2.gz SNLXORGPTUMPTO-KGENOOAVSA-N 0 0 422.406 5.654 50 0 HKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000012653355 568906691 /nfs/dbraw/zinc/90/66/91/568906691.db2.gz GKRUDFCSHQDDCJ-UHFFFAOYSA-N 0 0 411.889 5.549 50 0 HKAARN Clc1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn32)cc1 ZINC000012653866 558444261 /nfs/dbraw/zinc/44/42/61/558444261.db2.gz CZKBIFKLPFYWBQ-UHFFFAOYSA-N 0 0 402.910 5.686 50 0 HKAARN Cc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3Br)n2)cc1 ZINC000012653929 558444331 /nfs/dbraw/zinc/44/43/31/558444331.db2.gz IFHHVRSJSPSDLS-UHFFFAOYSA-N 0 0 401.304 5.684 50 0 HKAARN COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000012653948 558444264 /nfs/dbraw/zinc/44/42/64/558444264.db2.gz AYENDHOQRLHSBD-UHFFFAOYSA-N 0 0 420.296 5.103 50 0 HKAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cc2ccccc2o1 ZINC000012654006 568906746 /nfs/dbraw/zinc/90/67/46/568906746.db2.gz IWTZZRDUJCWTLC-UHFFFAOYSA-N 0 0 408.413 5.083 50 0 HKAARN COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1 ZINC000012654037 558444257 /nfs/dbraw/zinc/44/42/57/558444257.db2.gz FOZGVJNNANQWOS-UHFFFAOYSA-N 0 0 406.486 5.112 50 0 HKAARN CCc1cccc(CC)c1NC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000012654058 568906732 /nfs/dbraw/zinc/90/67/32/568906732.db2.gz OUZNWRBYLYXAAP-UHFFFAOYSA-N 0 0 417.940 6.120 50 0 HKAARN Cc1cccc(-c2noc(CN(C(=O)Nc3ccccc3C)C3CCCCC3)n2)c1 ZINC000012654119 558444307 /nfs/dbraw/zinc/44/43/07/558444307.db2.gz NUGUKVHCFPVPRP-UHFFFAOYSA-N 0 0 404.514 5.720 50 0 HKAARN O=C(NC1CCCCC1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000012654155 558444335 /nfs/dbraw/zinc/44/43/35/558444335.db2.gz NZOSCHWTZIHJOW-UHFFFAOYSA-N 0 0 416.953 5.567 50 0 HKAARN Cc1cc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc12 ZINC000012654421 568906650 /nfs/dbraw/zinc/90/66/50/568906650.db2.gz SBQBTUCBWKLRKU-GFCCVEGCSA-N 0 0 424.875 6.335 50 0 HKAARN Cc1cc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc12 ZINC000012654425 568906716 /nfs/dbraw/zinc/90/67/16/568906716.db2.gz SBQBTUCBWKLRKU-LBPRGKRZSA-N 0 0 424.875 6.335 50 0 HKAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012654427 569402286 /nfs/dbraw/zinc/40/22/86/569402286.db2.gz KJDSVVPFPBNSOM-XFVWHUTNSA-N 0 0 402.619 5.906 50 0 biogenic HKAARN CCSc1ccccc1C(=O)N(CC)Cc1nc(-c2ccccc2Cl)no1 ZINC000012654909 558444419 /nfs/dbraw/zinc/44/44/19/558444419.db2.gz MUHSPVWBEHXAKI-UHFFFAOYSA-N 0 0 401.919 5.164 50 0 HKAARN O=C1O[C@]2(C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 ZINC000012655091 569402433 /nfs/dbraw/zinc/40/24/33/569402433.db2.gz JQKXIOGQANFJIF-BYXJMBFLSA-N 0 0 422.528 6.016 50 0 biogenic HKAARN Cc1cccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)n2)c1 ZINC000012655152 558444474 /nfs/dbraw/zinc/44/44/74/558444474.db2.gz XGWMIRHEHBCDTJ-UHFFFAOYSA-N 0 0 424.932 6.065 50 0 HKAARN O=C(Nc1ccccc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000012655156 558444478 /nfs/dbraw/zinc/44/44/78/558444478.db2.gz LHLRULOOJGQSRI-UHFFFAOYSA-N 0 0 410.905 5.757 50 0 HKAARN CCn1c2ccccc2nc1SCc1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000012655182 568906733 /nfs/dbraw/zinc/90/67/33/568906733.db2.gz PYLRNQPAIPNYFQ-UHFFFAOYSA-N 0 0 410.852 5.668 50 0 HKAARN Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)c(Br)c1 ZINC000012655553 558444434 /nfs/dbraw/zinc/44/44/34/558444434.db2.gz YXAAMDHXFRVTDE-UHFFFAOYSA-N 0 0 424.092 5.149 50 0 HKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000012655654 558444680 /nfs/dbraw/zinc/44/46/80/558444680.db2.gz KNEVHJGJSJTQJW-UHFFFAOYSA-N 0 0 417.490 5.086 50 0 HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 ZINC000012656176 569402483 /nfs/dbraw/zinc/40/24/83/569402483.db2.gz VCIWUKDDAJEZBS-NYULUDCUSA-N 0 0 408.545 6.652 50 0 biogenic HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 ZINC000012656183 569402488 /nfs/dbraw/zinc/40/24/88/569402488.db2.gz VCIWUKDDAJEZBS-GKAFBRTNSA-N 0 0 408.545 6.652 50 0 biogenic HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000012656263 568906865 /nfs/dbraw/zinc/90/68/65/568906865.db2.gz LDFARCFUSMTUHX-NJAFHUGGSA-N 0 0 419.616 5.246 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000012656270 568906879 /nfs/dbraw/zinc/90/68/79/568906879.db2.gz LDFARCFUSMTUHX-NXHRZFHOSA-N 0 0 419.616 5.246 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 ZINC000012656750 568906819 /nfs/dbraw/zinc/90/68/19/568906819.db2.gz CGVSDUKLIGPYSR-MNEFBYGVSA-N 0 0 412.979 5.369 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 ZINC000012656754 568906907 /nfs/dbraw/zinc/90/69/07/568906907.db2.gz CGVSDUKLIGPYSR-LZQZEXGQSA-N 0 0 412.979 5.369 50 0 HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 ZINC000012656894 569402422 /nfs/dbraw/zinc/40/24/22/569402422.db2.gz HGGPYRPVMWSYOB-FMGHJNRGSA-N 0 0 409.529 6.619 50 0 biogenic HKAARN COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 ZINC000012656902 569402431 /nfs/dbraw/zinc/40/24/31/569402431.db2.gz HGGPYRPVMWSYOB-PRVBGKCFSA-N 0 0 409.529 6.619 50 0 biogenic HKAARN CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000012657359 569402496 /nfs/dbraw/zinc/40/24/96/569402496.db2.gz XELGSXZQIKSUPR-UHMYVYBESA-N 0 0 419.565 6.101 50 0 biogenic HKAARN CCc1nc2ccccc2n1C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000012657429 568906964 /nfs/dbraw/zinc/90/69/64/568906964.db2.gz VJMUSFXCTCSEQW-UHFFFAOYSA-N 0 0 420.925 5.649 50 0 HKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000012658069 558444724 /nfs/dbraw/zinc/44/47/24/558444724.db2.gz JHEVVWTXJZGWLK-ZZIIXHQDSA-N 0 0 413.517 6.665 50 0 biogenic HKAARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc2SCc2ccccc2)c1 ZINC000012658164 569402467 /nfs/dbraw/zinc/40/24/67/569402467.db2.gz VKIBVHDIBYFRBH-UHFFFAOYSA-N 0 0 401.535 5.584 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3cc(O)ccc3o2)cc1 ZINC000012658899 569402420 /nfs/dbraw/zinc/40/24/20/569402420.db2.gz DGQRGAIBIANUOG-NJNXFGOHSA-N 0 0 403.434 5.064 50 0 biogenic HKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000012658924 569402451 /nfs/dbraw/zinc/40/24/51/569402451.db2.gz LNADFBZTKWOQKO-SLEBQGDGSA-N 0 0 415.489 6.062 50 0 biogenic HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000012659078 558444752 /nfs/dbraw/zinc/44/47/52/558444752.db2.gz DVOGGEQCAROEMA-IYBDPMFKSA-N 0 0 423.354 6.067 50 0 HKAARN COc1ccc(-n2c(COc3cccc(Br)c3)nc3ccccc32)cc1 ZINC000012659231 568907041 /nfs/dbraw/zinc/90/70/41/568907041.db2.gz RJEFQSYIQUHHFY-UHFFFAOYSA-N 0 0 409.283 5.376 50 0 HKAARN Cc1cccn2cc(CSc3nnc(-c4cccs4)n3-c3ccccc3)nc12 ZINC000012659284 568906707 /nfs/dbraw/zinc/90/67/07/568906707.db2.gz CSWWOWYEYCTLQU-UHFFFAOYSA-N 0 0 403.536 5.244 50 0 HKAARN Cc1cc(SCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)nc2ccccc12 ZINC000012659303 568906875 /nfs/dbraw/zinc/90/68/75/568906875.db2.gz FGQBENWQCHSRBR-UHFFFAOYSA-N 0 0 407.848 6.155 50 0 HKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)s1 ZINC000012659539 568906811 /nfs/dbraw/zinc/90/68/11/568906811.db2.gz VCVZHLQLXMWSEU-UHFFFAOYSA-N 0 0 412.967 5.969 50 0 HKAARN O=C(NCc1ccccc1)/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000012659941 569043086 /nfs/dbraw/zinc/04/30/86/569043086.db2.gz ZLIXJUWXRAHVBD-LDADJPATSA-N 0 0 422.315 5.727 50 0 HKAARN CC(C)=CCC/C(C)=C\COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000012660307 569402555 /nfs/dbraw/zinc/40/25/55/569402555.db2.gz STKDKIMOAYXKMF-HKWRFOASSA-N 0 0 402.534 6.764 50 0 biogenic HKAARN CC(C)=CCC/C(C)=C\COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000012660407 569402556 /nfs/dbraw/zinc/40/25/56/569402556.db2.gz YBYOVABCHBEJMD-SILNSSARSA-N 0 0 416.561 7.072 50 0 biogenic HKAARN O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)s1 ZINC000012660451 568907227 /nfs/dbraw/zinc/90/72/27/568907227.db2.gz VWCAODXMSBLRMA-IWENEADUSA-N 0 0 414.954 5.666 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 ZINC000012660800 568907040 /nfs/dbraw/zinc/90/70/40/568907040.db2.gz QOOBALYSFKEPFP-IYBDPMFKSA-N 0 0 416.566 5.081 50 0 HKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000012660953 569402561 /nfs/dbraw/zinc/40/25/61/569402561.db2.gz AJCTUOVVUOISQR-XXBNENTESA-N 0 0 412.917 5.177 50 0 biogenic HKAARN CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012661209 569402580 /nfs/dbraw/zinc/40/25/80/569402580.db2.gz XFFDYWGJZFMHBB-KRIOCMJZSA-N 0 0 400.603 6.112 50 0 biogenic HKAARN CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccccc2N)c2c(C)oc(C)c21 ZINC000012661461 569402582 /nfs/dbraw/zinc/40/25/82/569402582.db2.gz MLZNOQRJPRVUNS-WEMUOSSPSA-N 0 0 414.505 5.939 50 0 biogenic HKAARN COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3ccccc3o2)cc1OC ZINC000012661617 569402717 /nfs/dbraw/zinc/40/27/17/569402717.db2.gz SPLAFBZIGAEJSE-XIEYBQDHSA-N 0 0 401.418 5.078 50 0 biogenic HKAARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1 ZINC000012663819 568907215 /nfs/dbraw/zinc/90/72/15/568907215.db2.gz KEOKNHMTGZCLRD-UHFFFAOYSA-N 0 0 423.541 5.929 50 0 HKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccccc3N)c2)cc1 ZINC000012664218 569402701 /nfs/dbraw/zinc/40/27/01/569402701.db2.gz MYGFNOQGJPCAOM-WEMUOSSPSA-N 0 0 414.505 5.939 50 0 biogenic HKAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc2ccccc2c1 ZINC000012675509 568907427 /nfs/dbraw/zinc/90/74/27/568907427.db2.gz XXLVVERZZYBHFS-UHFFFAOYSA-N 0 0 410.882 5.430 50 0 HKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000012676289 568907374 /nfs/dbraw/zinc/90/73/74/568907374.db2.gz QNRKECFOLQNPCL-LLVKDONJSA-N 0 0 424.309 5.075 50 0 HKAARN C[C@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000012676294 568907434 /nfs/dbraw/zinc/90/74/34/568907434.db2.gz QNRKECFOLQNPCL-NSHDSACASA-N 0 0 424.309 5.075 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012679054 568907637 /nfs/dbraw/zinc/90/76/37/568907637.db2.gz BHTJSQXNFGNKOC-OAHLLOKOSA-N 0 0 419.481 5.662 50 0 HKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012679062 568907560 /nfs/dbraw/zinc/90/75/60/568907560.db2.gz BHTJSQXNFGNKOC-HNNXBMFYSA-N 0 0 419.481 5.662 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000012679559 568907594 /nfs/dbraw/zinc/90/75/94/568907594.db2.gz ULZVGGPJMIHLCO-GFCCVEGCSA-N 0 0 403.935 5.335 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000012679566 568907541 /nfs/dbraw/zinc/90/75/41/568907541.db2.gz ULZVGGPJMIHLCO-LBPRGKRZSA-N 0 0 403.935 5.335 50 0 HKAARN Clc1cc(CSc2nnc(-c3cccs3)n2C2CC2)cc2c1OCCCO2 ZINC000012679861 568907588 /nfs/dbraw/zinc/90/75/88/568907588.db2.gz GQHWQIYLFUVOET-UHFFFAOYSA-N 0 0 419.959 5.449 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000012681252 568907941 /nfs/dbraw/zinc/90/79/41/568907941.db2.gz IFLTVGASJQOYJR-UHFFFAOYSA-N 0 0 424.547 5.384 50 0 HKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000012681527 568907895 /nfs/dbraw/zinc/90/78/95/568907895.db2.gz ZUUOVSSHQLXTFU-UHFFFAOYSA-N 0 0 409.533 5.110 50 0 HKAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1Cl ZINC000012681723 568907932 /nfs/dbraw/zinc/90/79/32/568907932.db2.gz GQWLKKJMVXTZGF-UHFFFAOYSA-N 0 0 423.925 5.574 50 0 HKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 ZINC000012681953 568907934 /nfs/dbraw/zinc/90/79/34/568907934.db2.gz XPGGQDDWOIBIJZ-LLVKDONJSA-N 0 0 422.865 5.161 50 0 HKAARN C[C@H](Oc1ccccc1F)c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 ZINC000012681959 568907927 /nfs/dbraw/zinc/90/79/27/568907927.db2.gz XPGGQDDWOIBIJZ-NSHDSACASA-N 0 0 422.865 5.161 50 0 HKAARN CN(Cc1ccccc1N1CCCCC1)C(=O)CSc1nc2ccccc2s1 ZINC000012682197 132366008 /nfs/dbraw/zinc/36/60/08/132366008.db2.gz CCXWTNMGCZPWTL-UHFFFAOYSA-N 0 0 411.596 5.037 50 0 HKAARN COc1cccc(NC(=O)[C@@H](Oc2ccc3ccc(OC)cc3c2)c2ccccc2)c1 ZINC000012682367 568907717 /nfs/dbraw/zinc/90/77/17/568907717.db2.gz JJININUJMCOMIK-VWLOTQADSA-N 0 0 413.473 5.616 50 0 HKAARN COc1cccc(NC(=O)[C@H](Oc2ccc3ccc(OC)cc3c2)c2ccccc2)c1 ZINC000012682374 568907761 /nfs/dbraw/zinc/90/77/61/568907761.db2.gz JJININUJMCOMIK-RUZDIDTESA-N 0 0 413.473 5.616 50 0 HKAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000012683424 568907754 /nfs/dbraw/zinc/90/77/54/568907754.db2.gz MVOBZXDVQZNNQW-AWEZNQCLSA-N 0 0 405.350 5.724 50 0 HKAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000012683432 568907809 /nfs/dbraw/zinc/90/78/09/568907809.db2.gz MVOBZXDVQZNNQW-CQSZACIVSA-N 0 0 405.350 5.724 50 0 HKAARN CCN(Cc1cccs1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O ZINC000012684949 568908231 /nfs/dbraw/zinc/90/82/31/568908231.db2.gz MTTRBJACYBKNKG-UHFFFAOYSA-N 0 0 403.551 5.221 50 0 HKAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000012689436 568908059 /nfs/dbraw/zinc/90/80/59/568908059.db2.gz SEFXUNAAFCUQDG-UHFFFAOYSA-N 0 0 400.522 5.138 50 0 HKAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012689877 568908095 /nfs/dbraw/zinc/90/80/95/568908095.db2.gz UCNNLTVRSXHLGA-UHFFFAOYSA-N 0 0 424.932 5.342 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)COc2cc(C)cc(C)c2)c2ccccc2)c1 ZINC000012690046 568908129 /nfs/dbraw/zinc/90/81/29/568908129.db2.gz ZHICQRLDWJSJRQ-VWLOTQADSA-N 0 0 417.505 5.222 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2cc(C)cc(C)c2)c2ccccc2)c1 ZINC000012690054 568908084 /nfs/dbraw/zinc/90/80/84/568908084.db2.gz ZHICQRLDWJSJRQ-RUZDIDTESA-N 0 0 417.505 5.222 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(Oc2ccccc2)c1 ZINC000012690212 568908140 /nfs/dbraw/zinc/90/81/40/568908140.db2.gz IPKJTEYVQXBXFU-UHFFFAOYSA-N 0 0 404.466 5.918 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012690440 568913986 /nfs/dbraw/zinc/91/39/86/568913986.db2.gz PNNSHSGESFNCTC-UHFFFAOYSA-N 0 0 416.569 5.489 50 0 HKAARN Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)no1 ZINC000012690788 568914876 /nfs/dbraw/zinc/91/48/76/568914876.db2.gz FVKYPTSGTDNYQC-UHFFFAOYSA-N 0 0 421.309 5.310 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000012690828 558446851 /nfs/dbraw/zinc/44/68/51/558446851.db2.gz BAPJMNBIESXIAM-MFOYZWKCSA-N 0 0 402.256 5.178 50 0 HKAARN CC(C)(C)NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc32)o1 ZINC000012691060 568915119 /nfs/dbraw/zinc/91/51/19/568915119.db2.gz IZAWUWZSVMURPK-UHFFFAOYSA-N 0 0 424.551 5.020 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN(C)Cc4ccc(F)cc4)cc3)sc2c1 ZINC000012692052 568915407 /nfs/dbraw/zinc/91/54/07/568915407.db2.gz WQIBGWBEPBTXEF-UHFFFAOYSA-N 0 0 419.525 5.481 50 0 HKAARN COc1ccc(C)cc1-n1nnnc1SCc1sc2ccccc2c1Cl ZINC000012692283 568915460 /nfs/dbraw/zinc/91/54/60/568915460.db2.gz DYBMIHGYGPSATO-UHFFFAOYSA-N 0 0 402.932 5.140 50 0 HKAARN COc1ccccc1-c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000012692624 568915414 /nfs/dbraw/zinc/91/54/14/568915414.db2.gz MYKJHWTUFKUVFZ-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1Br ZINC000012692899 568915672 /nfs/dbraw/zinc/91/56/72/568915672.db2.gz KXWLKMCMEATMJC-IBGZPJMESA-N 0 0 418.693 5.761 50 0 HKAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1Br ZINC000012692907 568915731 /nfs/dbraw/zinc/91/57/31/568915731.db2.gz KXWLKMCMEATMJC-LJQANCHMSA-N 0 0 418.693 5.761 50 0 HKAARN Cc1nc(C)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)s1 ZINC000012693422 568915878 /nfs/dbraw/zinc/91/58/78/568915878.db2.gz ASUVGWCKDGUNEA-UHFFFAOYSA-N 0 0 419.428 5.283 50 0 HKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000012693693 568915873 /nfs/dbraw/zinc/91/58/73/568915873.db2.gz CRWNWWUQHHSYQI-UHFFFAOYSA-N 0 0 412.411 5.196 50 0 HKAARN COC(=O)c1c(C)c2ccccc2nc1CN(Cc1c(F)cccc1Cl)C1CC1 ZINC000012693880 568915774 /nfs/dbraw/zinc/91/57/74/568915774.db2.gz WAYOVLJXBAOFFC-UHFFFAOYSA-N 0 0 412.892 5.287 50 0 HKAARN CCn1c(SCc2ccccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000012693886 568915759 /nfs/dbraw/zinc/91/57/59/568915759.db2.gz NHNDTNHKAUDJRN-UHFFFAOYSA-N 0 0 422.557 6.473 50 0 HKAARN Nc1nc(COC(=O)c2c(Cl)cccc2Cl)nc2sc3c(c21)CCCCC3 ZINC000012694029 568915823 /nfs/dbraw/zinc/91/58/23/568915823.db2.gz GDEZLJGJCAZGQO-UHFFFAOYSA-N 0 0 422.337 5.206 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012694909 568916022 /nfs/dbraw/zinc/91/60/22/568916022.db2.gz NLYDGVVBLGNBJI-UHFFFAOYSA-N 0 0 421.566 5.582 50 0 HKAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc12 ZINC000012695019 568916029 /nfs/dbraw/zinc/91/60/29/568916029.db2.gz DAZAQIGUXKLEBW-MRXNPFEDSA-N 0 0 403.548 5.168 50 0 HKAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc12 ZINC000012695027 568916072 /nfs/dbraw/zinc/91/60/72/568916072.db2.gz DAZAQIGUXKLEBW-INIZCTEOSA-N 0 0 403.548 5.168 50 0 HKAARN COc1ccc(-c2nnc(SCc3ccccc3Oc3ccccc3)o2)c(OC)c1 ZINC000012695208 568916006 /nfs/dbraw/zinc/91/60/06/568916006.db2.gz FFJDXZLBSDWFPK-UHFFFAOYSA-N 0 0 420.490 5.838 50 0 HKAARN O=C(Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1cccc(F)c1 ZINC000012696827 568916633 /nfs/dbraw/zinc/91/66/33/568916633.db2.gz RRSNNEXTWFKICX-UHFFFAOYSA-N 0 0 417.465 5.454 50 0 HKAARN O=C(COCc1nc2ccccc2s1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012697635 568916792 /nfs/dbraw/zinc/91/67/92/568916792.db2.gz LVJJJDFVIKSVGC-QGZVFWFLSA-N 0 0 423.563 5.176 50 0 HKAARN O=C(CCc1nc(-c2cccs2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012697644 568916840 /nfs/dbraw/zinc/91/68/40/568916840.db2.gz OEJFPJLLGGWEPL-HNNXBMFYSA-N 0 0 424.551 5.094 50 0 HKAARN Cc1cccc(C)c1OCCSc1nnc(-c2ccccc2Br)o1 ZINC000012698825 568916832 /nfs/dbraw/zinc/91/68/32/568916832.db2.gz QGAANSLWNBVRPG-UHFFFAOYSA-N 0 0 405.317 5.287 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccccc1F)=N2 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O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012751599 558459010 /nfs/dbraw/zinc/45/90/10/558459010.db2.gz RRWMENYHUNCPAU-QFIPXVFZSA-N 0 0 400.453 5.535 50 0 HKAARN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012751604 558459026 /nfs/dbraw/zinc/45/90/26/558459026.db2.gz RRWMENYHUNCPAU-JOCHJYFZSA-N 0 0 400.453 5.535 50 0 HKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000012752050 568941306 /nfs/dbraw/zinc/94/13/06/568941306.db2.gz FUSIUOGDWBVJNQ-NRFANRHFSA-N 0 0 404.560 5.514 50 0 HKAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012752053 568941250 /nfs/dbraw/zinc/94/12/50/568941250.db2.gz FUSIUOGDWBVJNQ-OAQYLSRUSA-N 0 0 404.560 5.514 50 0 HKAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 ZINC000012752092 568941268 /nfs/dbraw/zinc/94/12/68/568941268.db2.gz CBJOJOJQPCQNJY-OAHLLOKOSA-N 0 0 408.889 5.423 50 0 HKAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 ZINC000012752097 568941278 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Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000012754249 568942282 /nfs/dbraw/zinc/94/22/82/568942282.db2.gz KTMQJIXNZGRMKJ-OAHLLOKOSA-N 0 0 400.931 5.517 50 0 HKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012754253 568942369 /nfs/dbraw/zinc/94/23/69/568942369.db2.gz KTMQJIXNZGRMKJ-HNNXBMFYSA-N 0 0 400.931 5.517 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(Br)c2)s1 ZINC000012754335 568942323 /nfs/dbraw/zinc/94/23/23/568942323.db2.gz FLWOOADUHGDMRW-UHFFFAOYSA-N 0 0 401.329 5.371 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@H](C)c3ccc(F)cc3)c2)cs1 ZINC000012754694 568942538 /nfs/dbraw/zinc/94/25/38/568942538.db2.gz YSGAOEYLSLFSEN-NYUWMOHMSA-N 0 0 410.514 5.402 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@@H](C)c3ccc(F)cc3)c2)cs1 ZINC000012754700 568942491 /nfs/dbraw/zinc/94/24/91/568942491.db2.gz YSGAOEYLSLFSEN-MZTACXPWSA-N 0 0 410.514 5.402 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(COc2c(F)cccc2F)on1 ZINC000012755330 558459906 /nfs/dbraw/zinc/45/99/06/558459906.db2.gz MWERBSNKCDBRIP-UHFFFAOYSA-N 0 0 420.415 5.051 50 0 HKAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl ZINC000012755510 568942871 /nfs/dbraw/zinc/94/28/71/568942871.db2.gz JBJYPXZVQOMXRK-UHFFFAOYSA-N 0 0 409.357 5.045 50 0 HKAARN Clc1ccccc1-c1nnc(Sc2ncnc3sc4c(c32)CCCCC4)o1 ZINC000012755974 568942907 /nfs/dbraw/zinc/94/29/07/568942907.db2.gz OHIDOBLKGXJDKD-UHFFFAOYSA-N 0 0 414.943 5.815 50 0 HKAARN Cc1nnc(CSc2ncnc3cc(-c4ccc(Br)cc4)sc32)o1 ZINC000012756060 568943134 /nfs/dbraw/zinc/94/31/34/568943134.db2.gz KXDAARICOHZRBB-UHFFFAOYSA-N 0 0 419.329 5.105 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012756185 568943056 /nfs/dbraw/zinc/94/30/56/568943056.db2.gz VKOLMTJFDQGLJA-QGZVFWFLSA-N 0 0 414.527 5.137 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000012756189 568943168 /nfs/dbraw/zinc/94/31/68/568943168.db2.gz VKOLMTJFDQGLJA-KRWDZBQOSA-N 0 0 414.527 5.137 50 0 HKAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)CC1 ZINC000012756622 558460047 /nfs/dbraw/zinc/46/00/47/558460047.db2.gz TYHBKKZXIQUSMT-UHFFFAOYSA-N 0 0 409.501 5.078 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012756782 568944249 /nfs/dbraw/zinc/94/42/49/568944249.db2.gz JESIGUAVVRLOFQ-UHFFFAOYSA-N 0 0 423.321 5.219 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1n[nH]c(C=Cc2ccc(F)cc2)n1 ZINC000012757143 569403174 /nfs/dbraw/zinc/40/31/74/569403174.db2.gz QUXJDMNZHWFHND-RUNBWSAHSA-N 0 0 416.909 5.195 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1n[nH]c(C=Cc2ccc(F)cc2)n1 ZINC000012757149 569403183 /nfs/dbraw/zinc/40/31/83/569403183.db2.gz QUXJDMNZHWFHND-YKWSONSWSA-N 0 0 416.909 5.195 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 ZINC000012757216 568944287 /nfs/dbraw/zinc/94/42/87/568944287.db2.gz NXJDVTSSVNXEKU-UHFFFAOYSA-N 0 0 409.489 5.517 50 0 HKAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cc1 ZINC000012757329 568944501 /nfs/dbraw/zinc/94/45/01/568944501.db2.gz DRKVBCWPOKUAHT-UHFFFAOYSA-N 0 0 407.539 5.810 50 0 HKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC([C@@H](O)c2cccs2)CC1 ZINC000012757642 558460368 /nfs/dbraw/zinc/46/03/68/558460368.db2.gz GRMDQSRIYWEOKJ-XMMPIXPASA-N 0 0 418.562 5.810 50 0 HKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC([C@H](O)c2cccs2)CC1 ZINC000012757646 558460409 /nfs/dbraw/zinc/46/04/09/558460409.db2.gz GRMDQSRIYWEOKJ-DEOSSOPVSA-N 0 0 418.562 5.810 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000012758164 568943476 /nfs/dbraw/zinc/94/34/76/568943476.db2.gz NWJZJHDDJVTZBA-JTHBVZDNSA-N 0 0 408.423 6.256 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000012758169 568943523 /nfs/dbraw/zinc/94/35/23/568943523.db2.gz NWJZJHDDJVTZBA-FYYLOGMGSA-N 0 0 408.423 6.256 50 0 HKAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)ccc21 ZINC000012758809 568943555 /nfs/dbraw/zinc/94/35/55/568943555.db2.gz HQLREQGMXQDTAQ-UHFFFAOYSA-N 0 0 420.896 5.080 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1F ZINC000012758917 568943708 /nfs/dbraw/zinc/94/37/08/568943708.db2.gz PHXDHWXMMHOOSJ-NRFANRHFSA-N 0 0 400.906 5.127 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(Cl)cc1F ZINC000012758922 568943600 /nfs/dbraw/zinc/94/36/00/568943600.db2.gz PHXDHWXMMHOOSJ-OAQYLSRUSA-N 0 0 400.906 5.127 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000012758944 568943654 /nfs/dbraw/zinc/94/36/54/568943654.db2.gz DIMCMJTZZSZHJL-NRFANRHFSA-N 0 0 417.361 5.641 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000012758947 568943585 /nfs/dbraw/zinc/94/35/85/568943585.db2.gz DIMCMJTZZSZHJL-OAQYLSRUSA-N 0 0 417.361 5.641 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCC4)cc3)cc(-c3ccccc3)c2c1 ZINC000012759395 568943817 /nfs/dbraw/zinc/94/38/17/568943817.db2.gz CHSMPIUZXLPBGT-UHFFFAOYSA-N 0 0 421.544 5.912 50 0 HKAARN COc1ccccc1-c1noc(-c2sc3ccccc3c2OCC(=O)C(C)(C)C)n1 ZINC000012759463 568943795 /nfs/dbraw/zinc/94/37/95/568943795.db2.gz QBQJDUQWYYUOHQ-UHFFFAOYSA-N 0 0 422.506 5.621 50 0 HKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2OC)cc1 ZINC000012759593 568943863 /nfs/dbraw/zinc/94/38/63/568943863.db2.gz VCWAQMPYKGOQPP-UHFFFAOYSA-N 0 0 400.478 5.423 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000012760383 568945245 /nfs/dbraw/zinc/94/52/45/568945245.db2.gz JXXYMZWXCYSFMA-UHFFFAOYSA-N 0 0 418.497 5.095 50 0 HKAARN Cc1occc1C(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012760464 558460904 /nfs/dbraw/zinc/46/09/04/558460904.db2.gz AFFUUSDMSIKYCZ-UHFFFAOYSA-N 0 0 402.494 5.054 50 0 HKAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000012760474 568945184 /nfs/dbraw/zinc/94/51/84/568945184.db2.gz DQOXAWOUGQKIMK-UHFFFAOYSA-N 0 0 416.974 5.003 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012760494 558460773 /nfs/dbraw/zinc/46/07/73/558460773.db2.gz OTMFTFJQOVMXJG-QGZVFWFLSA-N 0 0 404.432 5.449 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012760498 558460921 /nfs/dbraw/zinc/46/09/21/558460921.db2.gz OTMFTFJQOVMXJG-KRWDZBQOSA-N 0 0 404.432 5.449 50 0 HKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(F)cc1F ZINC000012760716 568944964 /nfs/dbraw/zinc/94/49/64/568944964.db2.gz WRJJOVBJBFRBCI-UHFFFAOYSA-N 0 0 403.226 5.350 50 0 HKAARN CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000012761022 568945382 /nfs/dbraw/zinc/94/53/82/568945382.db2.gz CBBGFTGALCSWGD-QMMMGPOBSA-N 0 0 424.901 5.150 50 0 HKAARN CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000012761029 568945404 /nfs/dbraw/zinc/94/54/04/568945404.db2.gz CBBGFTGALCSWGD-MRVPVSSYSA-N 0 0 424.901 5.150 50 0 HKAARN CCOC(=O)c1cc(Cl)c(OCc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000012761274 568945441 /nfs/dbraw/zinc/94/54/41/568945441.db2.gz RSNQFGSMEPLNHX-UHFFFAOYSA-N 0 0 408.306 5.873 50 0 HKAARN C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1ccccc1 ZINC000012761280 568945748 /nfs/dbraw/zinc/94/57/48/568945748.db2.gz KTLJVHPSXWUKMA-CQSZACIVSA-N 0 0 402.372 5.299 50 0 HKAARN C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1ccccc1 ZINC000012761285 568945755 /nfs/dbraw/zinc/94/57/55/568945755.db2.gz KTLJVHPSXWUKMA-AWEZNQCLSA-N 0 0 402.372 5.299 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 ZINC000012761291 568945801 /nfs/dbraw/zinc/94/58/01/568945801.db2.gz REEWYHMKNXZERV-UHFFFAOYSA-N 0 0 403.360 5.144 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012761445 568945780 /nfs/dbraw/zinc/94/57/80/568945780.db2.gz ARSAMQGGZVHCKH-UHFFFAOYSA-N 0 0 400.931 5.265 50 0 HKAARN Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012761586 568945778 /nfs/dbraw/zinc/94/57/78/568945778.db2.gz JAEDKYNMOAVPHI-OAQYLSRUSA-N 0 0 424.591 5.389 50 0 HKAARN Cc1c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012761591 568945737 /nfs/dbraw/zinc/94/57/37/568945737.db2.gz JAEDKYNMOAVPHI-NRFANRHFSA-N 0 0 424.591 5.389 50 0 HKAARN CNC(=O)c1ccc(CN(Cc2csc(-c3ccsc3)n2)Cc2ccco2)cc1 ZINC000012761696 568945959 /nfs/dbraw/zinc/94/59/59/568945959.db2.gz BTJGVKYVVFTFAS-UHFFFAOYSA-N 0 0 423.563 5.027 50 0 HKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)o1 ZINC000012761790 568946195 /nfs/dbraw/zinc/94/61/95/568946195.db2.gz IMDDVSKHCGQHKI-UHFFFAOYSA-N 0 0 417.896 5.638 50 0 HKAARN C[C@@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2ccnc2)cc1 ZINC000012761963 568946205 /nfs/dbraw/zinc/94/62/05/568946205.db2.gz HNDMIJNNFYRLLW-YCABEKBOSA-N 0 0 418.497 5.026 50 0 HKAARN C[C@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2ccnc2)cc1 ZINC000012761970 568946354 /nfs/dbraw/zinc/94/63/54/568946354.db2.gz HNDMIJNNFYRLLW-KXKDPZRNSA-N 0 0 418.497 5.026 50 0 HKAARN O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012762065 568946291 /nfs/dbraw/zinc/94/62/91/568946291.db2.gz XQWXIAUIQBPQLX-UHFFFAOYSA-N 0 0 418.827 5.784 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCS2 ZINC000012762397 568946740 /nfs/dbraw/zinc/94/67/40/568946740.db2.gz MACOWDJYCJKHMU-UHFFFAOYSA-N 0 0 401.509 5.270 50 0 HKAARN O=C([C@@H]1Cc2ccccc2O1)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000012762408 568946680 /nfs/dbraw/zinc/94/66/80/568946680.db2.gz JPEYKGFPWATIPI-IBGZPJMESA-N 0 0 406.894 5.618 50 0 HKAARN O=C([C@H]1Cc2ccccc2O1)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000012762414 568946708 /nfs/dbraw/zinc/94/67/08/568946708.db2.gz JPEYKGFPWATIPI-LJQANCHMSA-N 0 0 406.894 5.618 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCS2 ZINC000012762427 568946783 /nfs/dbraw/zinc/94/67/83/568946783.db2.gz WXCNFHRQZMZARC-UHFFFAOYSA-N 0 0 416.351 5.522 50 0 HKAARN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)o1 ZINC000012762475 568946946 /nfs/dbraw/zinc/94/69/46/568946946.db2.gz YIRHNMNOFPVZFV-UHFFFAOYSA-N 0 0 416.808 5.123 50 0 HKAARN C=C1c2ccccc2C(=O)N1CC(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC000012762715 568946484 /nfs/dbraw/zinc/94/64/84/568946484.db2.gz OOGNNRNYEQMDML-UHFFFAOYSA-N 0 0 411.486 5.088 50 0 HKAARN C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012762824 568946496 /nfs/dbraw/zinc/94/64/96/568946496.db2.gz BFQFUNAPBYAGBK-DIFFPNOSSA-N 0 0 419.337 5.488 50 0 HKAARN C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012762829 568946578 /nfs/dbraw/zinc/94/65/78/568946578.db2.gz BFQFUNAPBYAGBK-GTNSWQLSSA-N 0 0 419.337 5.488 50 0 HKAARN C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012762833 568946584 /nfs/dbraw/zinc/94/65/84/568946584.db2.gz BFQFUNAPBYAGBK-PIGZYNQJSA-N 0 0 419.337 5.488 50 0 HKAARN C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012762839 568946471 /nfs/dbraw/zinc/94/64/71/568946471.db2.gz BFQFUNAPBYAGBK-APPDUMDISA-N 0 0 419.337 5.488 50 0 HKAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2c(C)cccc2C)C1 ZINC000012763560 558461630 /nfs/dbraw/zinc/46/16/30/558461630.db2.gz UDYWZNSVFQXFBR-RUZDIDTESA-N 0 0 408.542 5.032 50 0 HKAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)Nc2c(C)cccc2C)C1 ZINC000012763565 558461570 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CC(=O)c1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000012764691 568947661 /nfs/dbraw/zinc/94/76/61/568947661.db2.gz IIKIXOHOGNMYEW-UHFFFAOYSA-N 0 0 405.479 5.331 50 0 HKAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4ccc(F)cc4s3)cc2)cc1 ZINC000012764743 568947641 /nfs/dbraw/zinc/94/76/41/568947641.db2.gz WPIZFNJRWCSJKA-UHFFFAOYSA-N 0 0 420.465 5.554 50 0 HKAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012764755 568947554 /nfs/dbraw/zinc/94/75/54/568947554.db2.gz PWOLLEVZWVNVSC-QGZVFWFLSA-N 0 0 403.507 5.545 50 0 HKAARN Cc1c(C(=O)N2CCC[C@H]2c2ccccc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012764760 568947612 /nfs/dbraw/zinc/94/76/12/568947612.db2.gz PWOLLEVZWVNVSC-KRWDZBQOSA-N 0 0 403.507 5.545 50 0 HKAARN CC(=O)c1ccc(N(C(=O)COc2cccc(F)c2)c2nc3ccccc3s2)cc1 ZINC000012764856 568947854 /nfs/dbraw/zinc/94/78/54/568947854.db2.gz FDOYYLIIEKUIGC-UHFFFAOYSA-N 0 0 420.465 5.382 50 0 HKAARN CC(=O)c1ccc(N(C(=O)COc2ccccc2F)c2nc3ccccc3s2)cc1 ZINC000012764861 568948018 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Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000012770852 568951709 /nfs/dbraw/zinc/95/17/09/568951709.db2.gz OGAUJSLUIJLZSG-UHFFFAOYSA-N 0 0 424.907 5.094 50 0 HKAARN O=C(CCCOc1cccc(Br)c1)NC(c1ccccc1)c1ccccc1 ZINC000012770947 568951675 /nfs/dbraw/zinc/95/16/75/568951675.db2.gz UWGXYZJDNUCDFD-UHFFFAOYSA-N 0 0 424.338 5.514 50 0 HKAARN Cc1cccc(-c2c3c4c(sc3nc(C)c2C(=O)N2CCOCC2)C[C@H](C)CC4)c1 ZINC000012772171 568952191 /nfs/dbraw/zinc/95/21/91/568952191.db2.gz YMHGVUVOPONEEK-MRXNPFEDSA-N 0 0 420.578 5.177 50 0 HKAARN Cc1cccc(-c2c3c4c(sc3nc(C)c2C(=O)N2CCOCC2)C[C@@H](C)CC4)c1 ZINC000012772175 568952162 /nfs/dbraw/zinc/95/21/62/568952162.db2.gz YMHGVUVOPONEEK-INIZCTEOSA-N 0 0 420.578 5.177 50 0 HKAARN CC(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000012772445 569291653 /nfs/dbraw/zinc/29/16/53/569291653.db2.gz DYJMCZSBUHIBCA-UHFFFAOYSA-N 0 0 404.514 5.884 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1 ZINC000012772581 568952820 /nfs/dbraw/zinc/95/28/20/568952820.db2.gz PIKQNAQQYATXDA-UHFFFAOYSA-N 0 0 418.522 5.504 50 0 HKAARN CC(=O)N(c1nc(COc2ccc(F)cc2Cl)cs1)c1ccc(C)c(C)c1 ZINC000012772637 568952766 /nfs/dbraw/zinc/95/27/66/568952766.db2.gz QXNOBFQLPLDHFZ-UHFFFAOYSA-N 0 0 404.894 5.816 50 0 HKAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3C)c(=O)oc2c1 ZINC000012773283 568953000 /nfs/dbraw/zinc/95/30/00/568953000.db2.gz YRYOMDJXHWBZLX-UHFFFAOYSA-N 0 0 414.299 5.052 50 0 HKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012773644 568953214 /nfs/dbraw/zinc/95/32/14/568953214.db2.gz MIPVAKQAJZUKDV-UHFFFAOYSA-N 0 0 419.403 5.469 50 0 HKAARN O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccccc1C(=O)c1ccccc1 ZINC000012773750 568953031 /nfs/dbraw/zinc/95/30/31/568953031.db2.gz DNDJUJCCFIQMNY-UHFFFAOYSA-N 0 0 419.550 5.002 50 0 HKAARN Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000012773766 568953036 /nfs/dbraw/zinc/95/30/36/568953036.db2.gz WOSOABDGHZJTDG-UHFFFAOYSA-N 0 0 410.326 5.217 50 0 HKAARN Cc1ccc(Cl)c(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000012773892 568953169 /nfs/dbraw/zinc/95/31/69/568953169.db2.gz QDKQMMRBJXFVSA-UHFFFAOYSA-N 0 0 400.931 5.043 50 0 HKAARN CCOc1cc(C(=O)Nc2nc3c(cccc3C)s2)cc(Br)c1OC ZINC000012774069 568953211 /nfs/dbraw/zinc/95/32/11/568953211.db2.gz ZOLMVSSSFHHXRG-UHFFFAOYSA-N 0 0 421.316 5.027 50 0 HKAARN Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4)o3)s2)cs1 ZINC000012774147 568953348 /nfs/dbraw/zinc/95/33/48/568953348.db2.gz DZNSJAYCRMPGNX-UHFFFAOYSA-N 0 0 423.563 5.127 50 0 HKAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000012774202 568953425 /nfs/dbraw/zinc/95/34/25/568953425.db2.gz GEOMMAADWHQYNZ-UHFFFAOYSA-N 0 0 423.494 5.012 50 0 HKAARN Cc1csc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 ZINC000012774764 568953749 /nfs/dbraw/zinc/95/37/49/568953749.db2.gz CZYQHKMIDGPAMD-CYBMUJFWSA-N 0 0 405.595 5.045 50 0 HKAARN Cc1csc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 ZINC000012774772 568953781 /nfs/dbraw/zinc/95/37/81/568953781.db2.gz CZYQHKMIDGPAMD-ZDUSSCGKSA-N 0 0 405.595 5.045 50 0 HKAARN O=C(CCSc1nc2cc(Cl)ccc2s1)Nc1c(Cl)cccc1Cl ZINC000012775176 568953852 /nfs/dbraw/zinc/95/38/52/568953852.db2.gz MHNKOYWBTDVDTC-UHFFFAOYSA-N 0 0 417.770 6.377 50 0 HKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012775982 568954637 /nfs/dbraw/zinc/95/46/37/568954637.db2.gz WHCAJXHPFNPEOA-UHFFFAOYSA-N 0 0 404.894 5.095 50 0 HKAARN Fc1ccc(-c2cnc(CSc3nnc(NCCc4cccs4)s3)o2)cc1 ZINC000012776130 568954627 /nfs/dbraw/zinc/95/46/27/568954627.db2.gz WTGWEZVDNSYWFE-UHFFFAOYSA-N 0 0 418.544 5.341 50 0 HKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1F ZINC000012776193 568954400 /nfs/dbraw/zinc/95/44/00/568954400.db2.gz GKADENCYMDMOKI-UHFFFAOYSA-N 0 0 417.282 5.044 50 0 HKAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3F)s2)cc1Cl ZINC000012776644 568955210 /nfs/dbraw/zinc/95/52/10/568955210.db2.gz IJOZSAOBCSPXTL-LLVKDONJSA-N 0 0 422.938 5.502 50 0 HKAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3F)s2)cc1Cl ZINC000012776647 568955152 /nfs/dbraw/zinc/95/51/52/568955152.db2.gz IJOZSAOBCSPXTL-NSHDSACASA-N 0 0 422.938 5.502 50 0 HKAARN C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1Br ZINC000012776768 568955175 /nfs/dbraw/zinc/95/51/75/568955175.db2.gz MSANOQAMSFUBHX-CYBMUJFWSA-N 0 0 403.345 5.259 50 0 HKAARN C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1Br ZINC000012776773 568955144 /nfs/dbraw/zinc/95/51/44/568955144.db2.gz MSANOQAMSFUBHX-ZDUSSCGKSA-N 0 0 403.345 5.259 50 0 HKAARN COc1ccc(NC(=O)[C@@H](Sc2nc3cc(OC)ccc3[nH]2)c2ccccc2)cc1 ZINC000012776906 568954975 /nfs/dbraw/zinc/95/49/75/568954975.db2.gz XBXWFBVBULUUNV-NRFANRHFSA-N 0 0 419.506 5.052 50 0 HKAARN COc1ccc(NC(=O)[C@H](Sc2nc3cc(OC)ccc3[nH]2)c2ccccc2)cc1 ZINC000012776913 568955036 /nfs/dbraw/zinc/95/50/36/568955036.db2.gz XBXWFBVBULUUNV-OAQYLSRUSA-N 0 0 419.506 5.052 50 0 HKAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1-c1nnc2n1CCCCC2 ZINC000012777003 568955376 /nfs/dbraw/zinc/95/53/76/568955376.db2.gz BSAXGZOAHLWKPF-UHFFFAOYSA-N 0 0 415.324 5.160 50 0 HKAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(Br)cc3F)cs2)cc1 ZINC000012777133 568955511 /nfs/dbraw/zinc/95/55/11/568955511.db2.gz WBWLWPXKSXSRQJ-UHFFFAOYSA-N 0 0 421.291 5.184 50 0 HKAARN Cc1occc1-c1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000012777641 568955874 /nfs/dbraw/zinc/95/58/74/568955874.db2.gz OMUHZNHWGJWHJJ-UHFFFAOYSA-N 0 0 423.441 6.073 50 0 HKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@@H]1CCOc2ccccc21 ZINC000012778363 568956192 /nfs/dbraw/zinc/95/61/92/568956192.db2.gz WRMVHNOJXJVMJE-QGZVFWFLSA-N 0 0 418.440 5.011 50 0 HKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@H]1CCOc2ccccc21 ZINC000012778368 568956158 /nfs/dbraw/zinc/95/61/58/568956158.db2.gz WRMVHNOJXJVMJE-KRWDZBQOSA-N 0 0 418.440 5.011 50 0 HKAARN Cc1ccc(Sc2ccc(NC(=O)C3CCN(C(=O)C(C)C)CC3)cc2)cc1C ZINC000012778414 568956328 /nfs/dbraw/zinc/95/63/28/568956328.db2.gz YJAAYZIAXZJLDI-UHFFFAOYSA-N 0 0 410.583 5.288 50 0 HKAARN C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Br ZINC000012778429 568956344 /nfs/dbraw/zinc/95/63/44/568956344.db2.gz FAUAJUMCORJHDI-LLVKDONJSA-N 0 0 407.358 5.054 50 0 HKAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Br ZINC000012778433 568956349 /nfs/dbraw/zinc/95/63/49/568956349.db2.gz FAUAJUMCORJHDI-NSHDSACASA-N 0 0 407.358 5.054 50 0 HKAARN CSc1ccc(Cl)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000012779369 568956526 /nfs/dbraw/zinc/95/65/26/568956526.db2.gz KNWPYNFUTKSCNR-UHFFFAOYSA-N 0 0 414.939 5.862 50 0 HKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000012779516 568957109 /nfs/dbraw/zinc/95/71/09/568957109.db2.gz SSXADXIFIMSGTE-UHFFFAOYSA-N 0 0 408.310 5.079 50 0 HKAARN COc1ccc(-c2csc3ncnc(Oc4cccc5c4CCC[C@@H]5O)c23)cc1 ZINC000012779892 568956922 /nfs/dbraw/zinc/95/69/22/568956922.db2.gz KMVHHWCPTJMLQH-IBGZPJMESA-N 0 0 404.491 5.529 50 0 HKAARN COc1ccc(-c2csc3ncnc(Oc4cccc5c4CCC[C@H]5O)c23)cc1 ZINC000012779897 568956915 /nfs/dbraw/zinc/95/69/15/568956915.db2.gz KMVHHWCPTJMLQH-LJQANCHMSA-N 0 0 404.491 5.529 50 0 HKAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 ZINC000012779977 568956884 /nfs/dbraw/zinc/95/68/84/568956884.db2.gz DJJURABXQRFXCK-LLVKDONJSA-N 0 0 424.309 5.075 50 0 HKAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 ZINC000012779981 568956862 /nfs/dbraw/zinc/95/68/62/568956862.db2.gz DJJURABXQRFXCK-NSHDSACASA-N 0 0 424.309 5.075 50 0 HKAARN Cc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(Br)c1 ZINC000012780148 568957064 /nfs/dbraw/zinc/95/70/64/568957064.db2.gz YUBNKKGFCVYNHM-UHFFFAOYSA-N 0 0 414.299 5.052 50 0 HKAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000012780620 568957742 /nfs/dbraw/zinc/95/77/42/568957742.db2.gz ANAXWTYKYNXZDU-GFCCVEGCSA-N 0 0 417.328 5.425 50 0 HKAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000012780624 568957685 /nfs/dbraw/zinc/95/76/85/568957685.db2.gz ANAXWTYKYNXZDU-LBPRGKRZSA-N 0 0 417.328 5.425 50 0 HKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012780681 568957763 /nfs/dbraw/zinc/95/77/63/568957763.db2.gz MNNHXNTZLQZPLJ-CQSZACIVSA-N 0 0 400.931 5.123 50 0 HKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012780685 568957708 /nfs/dbraw/zinc/95/77/08/568957708.db2.gz MNNHXNTZLQZPLJ-AWEZNQCLSA-N 0 0 400.931 5.123 50 0 HKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2ccccc2c1 ZINC000012780981 568957756 /nfs/dbraw/zinc/95/77/56/568957756.db2.gz HSKKSSOPZVATLA-UHFFFAOYSA-N 0 0 405.548 5.394 50 0 HKAARN Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1 ZINC000012781299 568957920 /nfs/dbraw/zinc/95/79/20/568957920.db2.gz YIMIYNZRFKPVJF-UHFFFAOYSA-N 0 0 409.530 5.487 50 0 HKAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cs1 ZINC000012781398 568958076 /nfs/dbraw/zinc/95/80/76/568958076.db2.gz OIWYVNGCWAMQNB-UHFFFAOYSA-N 0 0 421.291 5.184 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012781466 568958097 /nfs/dbraw/zinc/95/80/97/568958097.db2.gz NZFPESGWYLHEKW-QNGOZBTKSA-N 0 0 413.481 5.002 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000012781700 568957964 /nfs/dbraw/zinc/95/79/64/568957964.db2.gz SVEUHIQMFMZIFE-NRFANRHFSA-N 0 0 400.906 5.127 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000012781702 568957928 /nfs/dbraw/zinc/95/79/28/568957928.db2.gz SVEUHIQMFMZIFE-OAQYLSRUSA-N 0 0 400.906 5.127 50 0 HKAARN COc1ccc(C(=O)C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000012782008 568958260 /nfs/dbraw/zinc/95/82/60/568958260.db2.gz KXUAWUBZOQMRQC-UHFFFAOYSA-N 0 0 410.901 5.099 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012782070 568958272 /nfs/dbraw/zinc/95/82/72/568958272.db2.gz CRKAKRNOBUJVPM-QFIPXVFZSA-N 0 0 406.507 5.126 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012782073 568958274 /nfs/dbraw/zinc/95/82/74/568958274.db2.gz CRKAKRNOBUJVPM-JOCHJYFZSA-N 0 0 406.507 5.126 50 0 HKAARN O=C1CCC[C@@H]1Sc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000012782224 568958244 /nfs/dbraw/zinc/95/82/44/568958244.db2.gz JKIHIJCPSLXWNM-QFIPXVFZSA-N 0 0 405.567 5.741 50 0 HKAARN O=C1CCC[C@H]1Sc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000012782228 568958249 /nfs/dbraw/zinc/95/82/49/568958249.db2.gz JKIHIJCPSLXWNM-JOCHJYFZSA-N 0 0 405.567 5.741 50 0 HKAARN Cc1sc2[nH]c(CN[C@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782633 568958450 /nfs/dbraw/zinc/95/84/50/568958450.db2.gz GLEACXFUSNJHJK-CQSZACIVSA-N 0 0 407.514 5.258 50 0 HKAARN Cc1sc2[nH]c(CN[C@@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782639 568958341 /nfs/dbraw/zinc/95/83/41/568958341.db2.gz GLEACXFUSNJHJK-AWEZNQCLSA-N 0 0 407.514 5.258 50 0 HKAARN CC[C@@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 ZINC000012782818 568958768 /nfs/dbraw/zinc/95/87/68/568958768.db2.gz ZMJWMMOESVXAAO-OAHLLOKOSA-N 0 0 421.360 5.049 50 0 HKAARN CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 ZINC000012782822 568958744 /nfs/dbraw/zinc/95/87/44/568958744.db2.gz ZMJWMMOESVXAAO-HNNXBMFYSA-N 0 0 421.360 5.049 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1F ZINC000012783191 568958609 /nfs/dbraw/zinc/95/86/09/568958609.db2.gz VNOHMAVCUYVTSD-QGZVFWFLSA-N 0 0 417.459 5.368 50 0 HKAARN C[C@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1F ZINC000012783194 568958593 /nfs/dbraw/zinc/95/85/93/568958593.db2.gz VNOHMAVCUYVTSD-KRWDZBQOSA-N 0 0 417.459 5.368 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1 ZINC000012783206 568958590 /nfs/dbraw/zinc/95/85/90/568958590.db2.gz RQWHGWZNAKGRTL-QGZVFWFLSA-N 0 0 417.459 5.368 50 0 HKAARN C[C@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1 ZINC000012783209 568958552 /nfs/dbraw/zinc/95/85/52/568958552.db2.gz RQWHGWZNAKGRTL-KRWDZBQOSA-N 0 0 417.459 5.368 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1sc3cc(F)ccc3c1Cl)O[C@H](C)C2 ZINC000012783264 568958617 /nfs/dbraw/zinc/95/86/17/568958617.db2.gz YPMZTOFMYIZPHD-SNVBAGLBSA-N 0 0 405.878 5.668 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1sc3cc(F)ccc3c1Cl)O[C@@H](C)C2 ZINC000012783271 568958720 /nfs/dbraw/zinc/95/87/20/568958720.db2.gz YPMZTOFMYIZPHD-JTQLQIEISA-N 0 0 405.878 5.668 50 0 HKAARN CN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012783357 568958918 /nfs/dbraw/zinc/95/89/18/568958918.db2.gz UXMOPJLHANZQEE-UHFFFAOYSA-N 0 0 403.869 5.329 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012783636 568958964 /nfs/dbraw/zinc/95/89/64/568958964.db2.gz RLAGWNXGIOVDKF-UHFFFAOYSA-N 0 0 416.993 5.126 50 0 HKAARN Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2-c2ccccc2)c(C)c1 ZINC000012784383 568959331 /nfs/dbraw/zinc/95/93/31/568959331.db2.gz BVVFVXIXYICSTK-UHFFFAOYSA-N 0 0 404.535 5.281 50 0 HKAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C[C@H]1C=CCC1 ZINC000012784471 568959426 /nfs/dbraw/zinc/95/94/26/568959426.db2.gz QPKJKUVWSFBFQP-IBGZPJMESA-N 0 0 419.956 5.567 50 0 HKAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C[C@@H]1C=CCC1 ZINC000012784479 568959388 /nfs/dbraw/zinc/95/93/88/568959388.db2.gz QPKJKUVWSFBFQP-LJQANCHMSA-N 0 0 419.956 5.567 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1OC ZINC000012784493 568959325 /nfs/dbraw/zinc/95/93/25/568959325.db2.gz ORRYMKFJSVAUER-UHFFFAOYSA-N 0 0 422.510 5.010 50 0 HKAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012784820 568959547 /nfs/dbraw/zinc/95/95/47/568959547.db2.gz DPWKZJVEGDDDAN-UHFFFAOYSA-N 0 0 419.431 5.452 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000012785023 568959571 /nfs/dbraw/zinc/95/95/71/568959571.db2.gz QVQXNAXSVWWMIA-OAHLLOKOSA-N 0 0 401.491 5.040 50 0 HKAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000012785026 568959574 /nfs/dbraw/zinc/95/95/74/568959574.db2.gz QVQXNAXSVWWMIA-HNNXBMFYSA-N 0 0 401.491 5.040 50 0 HKAARN CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012785082 568959531 /nfs/dbraw/zinc/95/95/31/568959531.db2.gz PQQNZGCGIVEBRD-UHFFFAOYSA-N 0 0 415.342 5.169 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012785243 568959693 /nfs/dbraw/zinc/95/96/93/568959693.db2.gz RHVQZXPXCAIBND-XMMPIXPASA-N 0 0 413.517 5.344 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012785247 568959677 /nfs/dbraw/zinc/95/96/77/568959677.db2.gz RHVQZXPXCAIBND-DEOSSOPVSA-N 0 0 413.517 5.344 50 0 HKAARN CCOCc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1OC ZINC000012785581 568959875 /nfs/dbraw/zinc/95/98/75/568959875.db2.gz CAEHAILIOGPVJL-QHCPKHFHSA-N 0 0 407.535 5.081 50 0 HKAARN CCOCc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1OC ZINC000012785587 568959872 /nfs/dbraw/zinc/95/98/72/568959872.db2.gz CAEHAILIOGPVJL-HSZRJFAPSA-N 0 0 407.535 5.081 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012785859 568960077 /nfs/dbraw/zinc/96/00/77/568960077.db2.gz DFBJPLUIOFPJJG-UHFFFAOYSA-N 0 0 416.308 5.072 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000012785964 568960033 /nfs/dbraw/zinc/96/00/33/568960033.db2.gz UWOMSVYIYJNLSP-UHFFFAOYSA-N 0 0 423.538 5.951 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 ZINC000012786323 568960191 /nfs/dbraw/zinc/96/01/91/568960191.db2.gz APAOBJLDPXILLZ-UHFFFAOYSA-N 0 0 420.534 5.406 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1 ZINC000012786570 558463223 /nfs/dbraw/zinc/46/32/23/558463223.db2.gz GGACAERFBYUPTJ-UHFFFAOYSA-N 0 0 416.458 5.164 50 0 HKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2Oc2ccccc2)s1 ZINC000012786671 568960203 /nfs/dbraw/zinc/96/02/03/568960203.db2.gz JHXNVOYCZRRDKR-UHFFFAOYSA-N 0 0 418.493 6.231 50 0 HKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2cccc3c2CCCC3)cs1)c1ccccc1 ZINC000012786816 569040342 /nfs/dbraw/zinc/04/03/42/569040342.db2.gz FQCFOLMWFWKHRY-CCEZHUSRSA-N 0 0 417.534 5.358 50 0 HKAARN O=C(Nc1cc(Cl)ccc1C(=O)NCCc1c[nH]c2ccccc12)c1cccs1 ZINC000012786919 568960371 /nfs/dbraw/zinc/96/03/71/568960371.db2.gz LUWRGMMVIYCVFU-UHFFFAOYSA-N 0 0 423.925 5.108 50 0 HKAARN CCCc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1 ZINC000012787147 568960473 /nfs/dbraw/zinc/96/04/73/568960473.db2.gz ADUBJOLWCXFIHS-UHFFFAOYSA-N 0 0 424.551 5.445 50 0 HKAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)n1 ZINC000012787174 568960675 /nfs/dbraw/zinc/96/06/75/568960675.db2.gz MVHGONZWGAWDGM-UHFFFAOYSA-N 0 0 422.535 5.355 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 ZINC000012787293 568960605 /nfs/dbraw/zinc/96/06/05/568960605.db2.gz NIBQILDZTOGJJT-UHFFFAOYSA-N 0 0 401.491 5.082 50 0 HKAARN COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1Br ZINC000012787322 560786581 /nfs/dbraw/zinc/78/65/81/560786581.db2.gz ZRIQEWOLFHGSJW-UHFFFAOYSA-N 0 0 422.369 5.423 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012787351 558463418 /nfs/dbraw/zinc/46/34/18/558463418.db2.gz DERKIMTVSJSMJQ-FQEVSTJZSA-N 0 0 406.507 5.174 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012787356 558463412 /nfs/dbraw/zinc/46/34/12/558463412.db2.gz DERKIMTVSJSMJQ-HXUWFJFHSA-N 0 0 406.507 5.174 50 0 HKAARN Cc1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccc(Cl)cc1 ZINC000012787412 558463381 /nfs/dbraw/zinc/46/33/81/558463381.db2.gz HYRUPPAKAZEAIY-UHFFFAOYSA-N 0 0 415.927 5.670 50 0 HKAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000012787699 558463581 /nfs/dbraw/zinc/46/35/81/558463581.db2.gz JDRMNXKPPTVGBE-LJQANCHMSA-N 0 0 418.562 5.285 50 0 HKAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000012787703 558463571 /nfs/dbraw/zinc/46/35/71/558463571.db2.gz JDRMNXKPPTVGBE-IBGZPJMESA-N 0 0 418.562 5.285 50 0 HKAARN COc1ccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC ZINC000012787706 558463590 /nfs/dbraw/zinc/46/35/90/558463590.db2.gz OTVQHSICHFZWOS-UHFFFAOYSA-N 0 0 420.490 5.017 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cncc(Br)c1 ZINC000012787813 558463585 /nfs/dbraw/zinc/46/35/85/558463585.db2.gz QSGFBOKGPAZUOP-UHFFFAOYSA-N 0 0 410.296 5.373 50 0 HKAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012787907 558463572 /nfs/dbraw/zinc/46/35/72/558463572.db2.gz GFKHAHCAERNPEA-SECBINFHSA-N 0 0 416.877 6.088 50 0 HKAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012787912 558463569 /nfs/dbraw/zinc/46/35/69/558463569.db2.gz GFKHAHCAERNPEA-VIFPVBQESA-N 0 0 416.877 6.088 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccccc2Cc2ccccc2)no1 ZINC000012788049 558463845 /nfs/dbraw/zinc/46/38/45/558463845.db2.gz BWFOGFJUPSRUJF-UHFFFAOYSA-N 0 0 415.518 5.513 50 0 HKAARN CC(C)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)c2cnn(C(C)C)c2n1 ZINC000012788060 558463809 /nfs/dbraw/zinc/46/38/09/558463809.db2.gz XATASRPXZRFPCP-UHFFFAOYSA-N 0 0 407.543 5.018 50 0 HKAARN CC(C)c1ccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788062 558463823 /nfs/dbraw/zinc/46/38/23/558463823.db2.gz BLXAMKGCUSBCMK-HNNXBMFYSA-N 0 0 407.539 5.561 50 0 HKAARN CC(C)c1ccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788065 558463883 /nfs/dbraw/zinc/46/38/83/558463883.db2.gz BLXAMKGCUSBCMK-OAHLLOKOSA-N 0 0 407.539 5.561 50 0 HKAARN Cc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c(C)n1Cc1ccco1 ZINC000012788333 558464026 /nfs/dbraw/zinc/46/40/26/558464026.db2.gz OCNWCBNSAKBCLZ-UHFFFAOYSA-N 0 0 419.550 5.151 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nccnc1-c1nc2ccccc2s1 ZINC000012789539 558464781 /nfs/dbraw/zinc/46/47/81/558464781.db2.gz HPCASBAYKHFTKA-UHFFFAOYSA-N 0 0 400.385 5.024 50 0 HKAARN O=C(Nc1ccc(Br)cc1Cl)c1cccc(OCc2cscn2)c1 ZINC000012789557 558464791 /nfs/dbraw/zinc/46/47/91/558464791.db2.gz JAUIPSYZORYJPE-UHFFFAOYSA-N 0 0 423.719 5.390 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C(C)C)cc1 ZINC000012789908 568962318 /nfs/dbraw/zinc/96/23/18/568962318.db2.gz DBGFWDNCEAJNAO-UHFFFAOYSA-N 0 0 418.493 5.088 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012789967 558464931 /nfs/dbraw/zinc/46/49/31/558464931.db2.gz HVQDLJKFAWOTJT-OAHLLOKOSA-N 0 0 413.351 5.129 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012789971 558464898 /nfs/dbraw/zinc/46/48/98/558464898.db2.gz HVQDLJKFAWOTJT-HNNXBMFYSA-N 0 0 413.351 5.129 50 0 HKAARN CCCn1c(=O)c2ccccc2nc1SCc1csc(-c2cccc(OC)c2)n1 ZINC000012790011 568962571 /nfs/dbraw/zinc/96/25/71/568962571.db2.gz OXSUMBPAVUAMGO-UHFFFAOYSA-N 0 0 423.563 5.231 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012790050 558464946 /nfs/dbraw/zinc/46/49/46/558464946.db2.gz JTTQLZVZNOSTIB-OAQYLSRUSA-N 0 0 413.546 5.592 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012790053 558464965 /nfs/dbraw/zinc/46/49/65/558464965.db2.gz JTTQLZVZNOSTIB-NRFANRHFSA-N 0 0 413.546 5.592 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000012790064 558464940 /nfs/dbraw/zinc/46/49/40/558464940.db2.gz WBCHGDLRXOLPGD-UHFFFAOYSA-N 0 0 401.329 5.371 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 ZINC000012790093 558464904 /nfs/dbraw/zinc/46/49/04/558464904.db2.gz VRGZIJMEKPDQGD-DEOSSOPVSA-N 0 0 402.494 5.257 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 ZINC000012790102 558464918 /nfs/dbraw/zinc/46/49/18/558464918.db2.gz VRGZIJMEKPDQGD-XMMPIXPASA-N 0 0 402.494 5.257 50 0 HKAARN CSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000012790133 558464894 /nfs/dbraw/zinc/46/48/94/558464894.db2.gz SOGZVAHJPNEGHY-UHFFFAOYSA-N 0 0 415.518 5.398 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000012790521 568967736 /nfs/dbraw/zinc/96/77/36/568967736.db2.gz KCGDBBUHWZVHTK-VULIGXMUSA-N 0 0 413.481 5.083 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000012790525 568967816 /nfs/dbraw/zinc/96/78/16/568967816.db2.gz KCGDBBUHWZVHTK-DBZAVIBRSA-N 0 0 413.481 5.083 50 0 HKAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(Br)c1 ZINC000012790553 558465172 /nfs/dbraw/zinc/46/51/72/558465172.db2.gz CHVCPLUPKDGMKL-UHFFFAOYSA-N 0 0 413.319 5.213 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012790557 558465152 /nfs/dbraw/zinc/46/51/52/558465152.db2.gz CRZGWTQBWBPDJA-UHFFFAOYSA-N 0 0 413.319 5.213 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012790608 558465288 /nfs/dbraw/zinc/46/52/88/558465288.db2.gz UQZSZVBJJXXLNI-YOGCLGLASA-N 0 0 416.381 5.139 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)CCCc3nc4ccccc4s3)ccc2c1 ZINC000012790614 558465298 /nfs/dbraw/zinc/46/52/98/558465298.db2.gz RDYTUGWTKQZZFU-UHFFFAOYSA-N 0 0 404.535 5.439 50 0 HKAARN C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 ZINC000012790618 558465280 /nfs/dbraw/zinc/46/52/80/558465280.db2.gz MWHMFDSQLNCECG-CQSZACIVSA-N 0 0 417.456 5.132 50 0 HKAARN C[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 ZINC000012790621 558465371 /nfs/dbraw/zinc/46/53/71/558465371.db2.gz MWHMFDSQLNCECG-AWEZNQCLSA-N 0 0 417.456 5.132 50 0 HKAARN COc1ccccc1CNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000012790828 558465282 /nfs/dbraw/zinc/46/52/82/558465282.db2.gz PSGYVYXHPWERDT-UHFFFAOYSA-N 0 0 413.489 5.112 50 0 HKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)o1 ZINC000012790836 558465361 /nfs/dbraw/zinc/46/53/61/558465361.db2.gz BAHXOPJYMQMJLJ-UHFFFAOYSA-N 0 0 411.505 6.262 50 0 HKAARN O=C(Nc1cccc(C2SCCS2)c1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012791071 558465609 /nfs/dbraw/zinc/46/56/09/558465609.db2.gz ZYRNEISWQDLBLO-MQVJKMGUSA-N 0 0 423.694 5.716 50 0 HKAARN COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1Br ZINC000012791297 558465831 /nfs/dbraw/zinc/46/58/31/558465831.db2.gz ZSHVTJDJZFRYSB-UHFFFAOYSA-N 0 0 406.301 5.265 50 0 HKAARN C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000012791816 558465986 /nfs/dbraw/zinc/46/59/86/558465986.db2.gz PRWJZEDOLPBEPI-CYBMUJFWSA-N 0 0 421.349 5.449 50 0 HKAARN C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000012791819 558466014 /nfs/dbraw/zinc/46/60/14/558466014.db2.gz PRWJZEDOLPBEPI-ZDUSSCGKSA-N 0 0 421.349 5.449 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(SCc2cscn2)cc1 ZINC000012792498 568969363 /nfs/dbraw/zinc/96/93/63/568969363.db2.gz DITWGINYJCZWLD-UHFFFAOYSA-N 0 0 411.577 5.317 50 0 HKAARN C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(Sc4nnc(C5CC5)o4)c23)C1 ZINC000012792544 558466422 /nfs/dbraw/zinc/46/64/22/558466422.db2.gz IALJJZOFTIGSSM-LLVKDONJSA-N 0 0 421.551 5.290 50 0 HKAARN C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(Sc4nnc(C5CC5)o4)c23)C1 ZINC000012792549 558466512 /nfs/dbraw/zinc/46/65/12/558466512.db2.gz IALJJZOFTIGSSM-NSHDSACASA-N 0 0 421.551 5.290 50 0 HKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000012792574 568969353 /nfs/dbraw/zinc/96/93/53/568969353.db2.gz ZTGPQMRVNDXKRU-UHFFFAOYSA-N 0 0 417.328 5.399 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012792883 558466698 /nfs/dbraw/zinc/46/66/98/558466698.db2.gz WEJUUMDJLFAVRJ-UHFFFAOYSA-N 0 0 403.313 5.460 50 0 HKAARN Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1Br ZINC000012792941 558466709 /nfs/dbraw/zinc/46/67/09/558466709.db2.gz ZOFKYVFEPWEFEO-UHFFFAOYSA-N 0 0 415.150 5.251 50 0 HKAARN O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2SCc2cccs2)c1 ZINC000012793124 558466897 /nfs/dbraw/zinc/46/68/97/558466897.db2.gz FKSAQDYBSHSJEW-UHFFFAOYSA-N 0 0 408.548 5.185 50 0 HKAARN Cc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 ZINC000012793184 558466921 /nfs/dbraw/zinc/46/69/21/558466921.db2.gz KOUVKOAQWDCYRK-UHFFFAOYSA-N 0 0 405.567 5.204 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)CCCOc2ccc(Cl)cc2C)cc1OC ZINC000012793599 558467077 /nfs/dbraw/zinc/46/70/77/558467077.db2.gz CMQSDFWWMCBEIW-IBGZPJMESA-N 0 0 417.933 5.188 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)CCCOc2ccc(Cl)cc2C)cc1OC ZINC000012793606 558467102 /nfs/dbraw/zinc/46/71/02/558467102.db2.gz CMQSDFWWMCBEIW-LJQANCHMSA-N 0 0 417.933 5.188 50 0 HKAARN Cc1ccc(-c2nc(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)co2)cc1 ZINC000012793747 568969320 /nfs/dbraw/zinc/96/93/20/568969320.db2.gz KBXSGDFVIYLXDC-UHFFFAOYSA-N 0 0 412.902 5.293 50 0 HKAARN O=C(Cc1noc2ccccc21)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000012793893 558467272 /nfs/dbraw/zinc/46/72/72/558467272.db2.gz PNQKXTFEACFPJQ-UHFFFAOYSA-N 0 0 418.305 5.363 50 0 HKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012794266 558467486 /nfs/dbraw/zinc/46/74/86/558467486.db2.gz KDFWPZTZFDPRTM-UHFFFAOYSA-N 0 0 420.412 5.161 50 0 HKAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c12 ZINC000012794290 558467466 /nfs/dbraw/zinc/46/74/66/558467466.db2.gz QOIOHPLVNKVDKS-UHFFFAOYSA-N 0 0 408.811 5.079 50 0 HKAARN O=c1nc(CN2CCc3sccc3[C@@H]2C2CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000012795168 558468180 /nfs/dbraw/zinc/46/81/80/558468180.db2.gz GAQAIRUCYYFOLQ-NRFANRHFSA-N 0 0 419.575 5.223 50 0 HKAARN O=c1nc(CN2CCc3sccc3[C@H]2C2CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000012795172 558468213 /nfs/dbraw/zinc/46/82/13/558468213.db2.gz GAQAIRUCYYFOLQ-OAQYLSRUSA-N 0 0 419.575 5.223 50 0 HKAARN Cc1ccccc1OCc1nc(SCC(=O)c2cc3cc(Cl)ccc3o2)n[nH]1 ZINC000012795204 558468243 /nfs/dbraw/zinc/46/82/43/558468243.db2.gz WKWGXIBWJVDNIK-UHFFFAOYSA-N 0 0 413.886 5.067 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012795672 558468487 /nfs/dbraw/zinc/46/84/87/558468487.db2.gz GZCNGHSONRKJFF-MRXNPFEDSA-N 0 0 424.932 5.039 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012795676 558468465 /nfs/dbraw/zinc/46/84/65/558468465.db2.gz GZCNGHSONRKJFF-INIZCTEOSA-N 0 0 424.932 5.039 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000012795701 558468402 /nfs/dbraw/zinc/46/84/02/558468402.db2.gz JAGQWIFVEHICBY-UHFFFAOYSA-N 0 0 408.914 5.269 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 ZINC000012795776 558468657 /nfs/dbraw/zinc/46/86/57/558468657.db2.gz SHRAPQYZAXKVIO-ZIAGYGMSSA-N 0 0 416.572 5.376 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 ZINC000012795779 558468667 /nfs/dbraw/zinc/46/86/67/558468667.db2.gz SHRAPQYZAXKVIO-UONOGXRCSA-N 0 0 416.572 5.376 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 ZINC000012795783 558468606 /nfs/dbraw/zinc/46/86/06/558468606.db2.gz SHRAPQYZAXKVIO-KGLIPLIRSA-N 0 0 416.572 5.376 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 ZINC000012795787 558468647 /nfs/dbraw/zinc/46/86/47/558468647.db2.gz SHRAPQYZAXKVIO-KBPBESRZSA-N 0 0 416.572 5.376 50 0 HKAARN C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012796206 132367397 /nfs/dbraw/zinc/36/73/97/132367397.db2.gz FJEINUGCRQUULW-OAQYLSRUSA-N 0 0 413.565 5.383 50 0 HKAARN C[C@H](Nc1ccccc1N1CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012796210 132367396 /nfs/dbraw/zinc/36/73/96/132367396.db2.gz FJEINUGCRQUULW-NRFANRHFSA-N 0 0 413.565 5.383 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 ZINC000012796302 558469174 /nfs/dbraw/zinc/46/91/74/558469174.db2.gz XCTUSADTWMMUAU-VWLOTQADSA-N 0 0 413.521 5.222 50 0 HKAARN CC(=O)Nc1cc(NC(=O)c2cccnc2Sc2ccccc2Cl)ccc1F ZINC000012796308 558469161 /nfs/dbraw/zinc/46/91/61/558469161.db2.gz HWLTYYWFNOVCDL-UHFFFAOYSA-N 0 0 415.877 5.236 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 ZINC000012796312 558469139 /nfs/dbraw/zinc/46/91/39/558469139.db2.gz XCTUSADTWMMUAU-RUZDIDTESA-N 0 0 413.521 5.222 50 0 HKAARN Cc1cc(C)cc(N(C(=O)c2cnccn2)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000012796384 558469146 /nfs/dbraw/zinc/46/91/46/558469146.db2.gz OFUOJFRRRGOODW-UHFFFAOYSA-N 0 0 404.470 5.335 50 0 HKAARN O=C(CCc1nc2ccccc2s1)N(CCc1ccccc1)Cc1cccs1 ZINC000012796721 558469342 /nfs/dbraw/zinc/46/93/42/558469342.db2.gz PGKRFLFFXWUXMG-UHFFFAOYSA-N 0 0 406.576 5.562 50 0 HKAARN CC[C@@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 ZINC000012796891 558469491 /nfs/dbraw/zinc/46/94/91/558469491.db2.gz SWNZEALADKJMKZ-HXUWFJFHSA-N 0 0 418.562 5.387 50 0 HKAARN CC[C@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 ZINC000012796896 558469534 /nfs/dbraw/zinc/46/95/34/558469534.db2.gz SWNZEALADKJMKZ-FQEVSTJZSA-N 0 0 418.562 5.387 50 0 HKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000012796968 558469507 /nfs/dbraw/zinc/46/95/07/558469507.db2.gz QQWVHYXRLHFWLX-UHFFFAOYSA-N 0 0 421.255 5.103 50 0 HKAARN O=C(NCCSCc1cccs1)c1ccccc1-c1nc2ccccc2s1 ZINC000012797203 558469850 /nfs/dbraw/zinc/46/98/50/558469850.db2.gz NJXDLHPQYGMKHE-UHFFFAOYSA-N 0 0 410.589 5.688 50 0 HKAARN Cc1nc(COc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1 ZINC000012797476 558469992 /nfs/dbraw/zinc/46/99/92/558469992.db2.gz RXHJHXSTTKVFCI-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1NC(=O)c1ccco1 ZINC000012797552 558470033 /nfs/dbraw/zinc/47/00/33/558470033.db2.gz YJXHJUJCJYTONI-UHFFFAOYSA-N 0 0 412.445 5.885 50 0 HKAARN CC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Br)cc1 ZINC000012798024 558470262 /nfs/dbraw/zinc/47/02/62/558470262.db2.gz CKYIUUQBOSZFLZ-OAHLLOKOSA-N 0 0 421.385 5.444 50 0 HKAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012798026 558470225 /nfs/dbraw/zinc/47/02/25/558470225.db2.gz ZDKGARIVBKDIPX-DEOSSOPVSA-N 0 0 418.493 5.039 50 0 HKAARN CC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Br)cc1 ZINC000012798028 558470250 /nfs/dbraw/zinc/47/02/50/558470250.db2.gz CKYIUUQBOSZFLZ-HNNXBMFYSA-N 0 0 421.385 5.444 50 0 HKAARN CCOc1ccccc1NC(=O)[C@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012798035 558470241 /nfs/dbraw/zinc/47/02/41/558470241.db2.gz ZDKGARIVBKDIPX-XMMPIXPASA-N 0 0 418.493 5.039 50 0 HKAARN CC(C)c1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000012798157 558470252 /nfs/dbraw/zinc/47/02/52/558470252.db2.gz NALZQTFVJCFFBZ-UHFFFAOYSA-N 0 0 415.356 5.877 50 0 HKAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Br)o1 ZINC000012798293 560786557 /nfs/dbraw/zinc/78/65/57/560786557.db2.gz UBCIXFPVTPHWIF-UHFFFAOYSA-N 0 0 405.229 5.271 50 0 HKAARN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Oc1ccccc1 ZINC000012798368 558470486 /nfs/dbraw/zinc/47/04/86/558470486.db2.gz GJLXFWOPMBXEEJ-UHFFFAOYSA-N 0 0 415.276 5.154 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 ZINC000012798645 568977375 /nfs/dbraw/zinc/97/73/75/568977375.db2.gz CNBZCSQEHCMLBQ-UHFFFAOYSA-N 0 0 418.541 5.411 50 0 HKAARN COc1ccccc1CC(=O)N(c1nc2ccccc2s1)c1ccccc1OC ZINC000012798698 558470631 /nfs/dbraw/zinc/47/06/31/558470631.db2.gz PKNBYZLBINSKEJ-UHFFFAOYSA-N 0 0 404.491 5.221 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012798756 568977531 /nfs/dbraw/zinc/97/75/31/568977531.db2.gz LQRUGODTXBRZIP-UHFFFAOYSA-N 0 0 416.308 5.072 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3c(C)noc3n2)s1 ZINC000012798920 568977589 /nfs/dbraw/zinc/97/75/89/568977589.db2.gz KLBLQLRONMCWQF-UHFFFAOYSA-N 0 0 415.421 5.422 50 0 HKAARN O=C(Nc1ccc(SC(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000012798924 558470909 /nfs/dbraw/zinc/47/09/09/558470909.db2.gz BXVHYERAHOVBJE-UHFFFAOYSA-N 0 0 414.462 5.320 50 0 HKAARN CCCCN(C(=O)c1cc(C2CC2)nc2c1nc1n2CCCCC1)c1ccccc1 ZINC000012798993 558470821 /nfs/dbraw/zinc/47/08/21/558470821.db2.gz MSLVXYQREGGNNZ-UHFFFAOYSA-N 0 0 402.542 5.482 50 0 HKAARN Cc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2n1 ZINC000012799063 558470833 /nfs/dbraw/zinc/47/08/33/558470833.db2.gz VHSHOZOIOSKPDK-UHFFFAOYSA-N 0 0 418.884 5.051 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)N(C)[C@H](C)c2nc3ccccc3s2)no1 ZINC000012799221 558471050 /nfs/dbraw/zinc/47/10/50/558471050.db2.gz DHGOXIRYXGSRRJ-CQSZACIVSA-N 0 0 424.551 5.113 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)no1 ZINC000012799229 558471017 /nfs/dbraw/zinc/47/10/17/558471017.db2.gz DHGOXIRYXGSRRJ-AWEZNQCLSA-N 0 0 424.551 5.113 50 0 HKAARN Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 ZINC000012799608 568978518 /nfs/dbraw/zinc/97/85/18/568978518.db2.gz OYCARSFSHXFAFJ-UHFFFAOYSA-N 0 0 417.328 5.399 50 0 HKAARN O=C(Nc1cccc(C2SCCS2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000012799609 558471167 /nfs/dbraw/zinc/47/11/67/558471167.db2.gz RSCDCVZJKPBAEW-UHFFFAOYSA-N 0 0 405.544 5.649 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012799637 558471247 /nfs/dbraw/zinc/47/12/47/558471247.db2.gz LWRYFUGQLGREDD-OAHLLOKOSA-N 0 0 407.322 5.346 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012799641 558471239 /nfs/dbraw/zinc/47/12/39/558471239.db2.gz LWRYFUGQLGREDD-HNNXBMFYSA-N 0 0 407.322 5.346 50 0 HKAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000012799957 568978506 /nfs/dbraw/zinc/97/85/06/568978506.db2.gz HTMKOUPPHONNPJ-LJQANCHMSA-N 0 0 419.525 5.018 50 0 HKAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000012799960 568978581 /nfs/dbraw/zinc/97/85/81/568978581.db2.gz HTMKOUPPHONNPJ-IBGZPJMESA-N 0 0 419.525 5.018 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000012800052 568978574 /nfs/dbraw/zinc/97/85/74/568978574.db2.gz RGXSDQIOIMQRBU-UHFFFAOYSA-N 0 0 423.321 5.481 50 0 HKAARN CCOc1ccc(Oc2ccccc2NC(=O)Cc2ccc(OC)cc2OC)cc1 ZINC000012800254 558471430 /nfs/dbraw/zinc/47/14/30/558471430.db2.gz LPYGRKWXRBTSBR-UHFFFAOYSA-N 0 0 407.466 5.076 50 0 HKAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000012800362 568979462 /nfs/dbraw/zinc/97/94/62/568979462.db2.gz WPNAUEGQDDQDBA-MRXNPFEDSA-N 0 0 410.539 5.268 50 0 HKAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000012800368 568979448 /nfs/dbraw/zinc/97/94/48/568979448.db2.gz WPNAUEGQDDQDBA-INIZCTEOSA-N 0 0 410.539 5.268 50 0 HKAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012800584 558471637 /nfs/dbraw/zinc/47/16/37/558471637.db2.gz ASRURPKROOIHML-UHFFFAOYSA-N 0 0 421.836 5.256 50 0 HKAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 ZINC000012801398 558471821 /nfs/dbraw/zinc/47/18/21/558471821.db2.gz BUVLDMLORRLFEN-UHFFFAOYSA-N 0 0 406.667 5.077 50 0 HKAARN O=C(CCCSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccccc1 ZINC000012801565 558472065 /nfs/dbraw/zinc/47/20/65/558472065.db2.gz IZWIWVAPYCHDKO-UHFFFAOYSA-N 0 0 414.534 5.144 50 0 HKAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 ZINC000012801722 558472069 /nfs/dbraw/zinc/47/20/69/558472069.db2.gz RQNPYGJRMKECME-IWGBCORSSA-N 0 0 409.530 5.445 50 0 HKAARN Cn1cccc1[C@H]1CCCCCN1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 ZINC000012801728 558472057 /nfs/dbraw/zinc/47/20/57/558472057.db2.gz RQNPYGJRMKECME-JNCYCUAHSA-N 0 0 409.530 5.445 50 0 HKAARN CC(C)[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000012802073 558472067 /nfs/dbraw/zinc/47/20/67/558472067.db2.gz RLPUBPJYHOJQQF-OAQYLSRUSA-N 0 0 402.922 5.040 50 0 HKAARN CC(C)[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000012802083 558472030 /nfs/dbraw/zinc/47/20/30/558472030.db2.gz RLPUBPJYHOJQQF-NRFANRHFSA-N 0 0 402.922 5.040 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000012802444 558472199 /nfs/dbraw/zinc/47/21/99/558472199.db2.gz ZLCLKZLRRYERGO-UHFFFAOYSA-N 0 0 418.415 5.089 50 0 HKAARN CSc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000012802607 558472327 /nfs/dbraw/zinc/47/23/27/558472327.db2.gz ZZVPZQNXWMVDAI-QFIPXVFZSA-N 0 0 414.571 5.109 50 0 HKAARN CSc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000012802617 558472315 /nfs/dbraw/zinc/47/23/15/558472315.db2.gz ZZVPZQNXWMVDAI-JOCHJYFZSA-N 0 0 414.571 5.109 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000012803334 558472506 /nfs/dbraw/zinc/47/25/06/558472506.db2.gz LVGMLLPABRUUSQ-DEOSSOPVSA-N 0 0 412.489 5.690 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000012803342 558472521 /nfs/dbraw/zinc/47/25/21/558472521.db2.gz LVGMLLPABRUUSQ-XMMPIXPASA-N 0 0 412.489 5.690 50 0 HKAARN C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1cccc(Cl)c1 ZINC000012803865 568979639 /nfs/dbraw/zinc/97/96/39/568979639.db2.gz RTBXCFZSYSABFR-QGZVFWFLSA-N 0 0 420.940 5.223 50 0 HKAARN C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1cccc(Cl)c1 ZINC000012803869 568979591 /nfs/dbraw/zinc/97/95/91/568979591.db2.gz RTBXCFZSYSABFR-KRWDZBQOSA-N 0 0 420.940 5.223 50 0 HKAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000012804095 558472770 /nfs/dbraw/zinc/47/27/70/558472770.db2.gz DRDPWVPTGVEBKJ-UHFFFAOYSA-N 0 0 423.822 5.084 50 0 HKAARN CC[C@@H]1CN=C(N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(C(C)=O)cc2)S1 ZINC000012804261 558472745 /nfs/dbraw/zinc/47/27/45/558472745.db2.gz REIMECBSEGBPOF-MRXNPFEDSA-N 0 0 421.349 5.724 50 0 HKAARN CC[C@H]1CN=C(N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(C(C)=O)cc2)S1 ZINC000012804265 558472996 /nfs/dbraw/zinc/47/29/96/558472996.db2.gz REIMECBSEGBPOF-INIZCTEOSA-N 0 0 421.349 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CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 ZINC000012808534 558474354 /nfs/dbraw/zinc/47/43/54/558474354.db2.gz ISDFLGCWLOBWDB-UHFFFAOYSA-N 0 0 404.495 5.196 50 0 HKAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000012809672 568979993 /nfs/dbraw/zinc/97/99/93/568979993.db2.gz UBNKPTQKPUVCQW-UHFFFAOYSA-N 0 0 415.276 5.154 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012809814 568979892 /nfs/dbraw/zinc/97/98/92/568979892.db2.gz BHJFCIJFWVNAGF-UHFFFAOYSA-N 0 0 402.885 5.081 50 0 HKAARN CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012810173 568980030 /nfs/dbraw/zinc/98/00/30/568980030.db2.gz QUWVEPMEXZLUAR-NRFANRHFSA-N 0 0 417.889 5.028 50 0 HKAARN CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012810178 568980016 /nfs/dbraw/zinc/98/00/16/568980016.db2.gz QUWVEPMEXZLUAR-OAQYLSRUSA-N 0 0 417.889 5.028 50 0 HKAARN COc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000012810343 568984551 /nfs/dbraw/zinc/98/45/51/568984551.db2.gz YWBXEBROXUOISB-RUZDIDTESA-N 0 0 424.504 5.160 50 0 HKAARN COc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000012810349 568984591 /nfs/dbraw/zinc/98/45/91/568984591.db2.gz YWBXEBROXUOISB-VWLOTQADSA-N 0 0 424.504 5.160 50 0 HKAARN COc1ccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1Cl ZINC000012810885 568985203 /nfs/dbraw/zinc/98/52/03/568985203.db2.gz JSTPGCABRAWRES-UHFFFAOYSA-N 0 0 405.932 5.150 50 0 HKAARN CC(C)COC(=O)Nc1cccc(C(=O)c2cccc(NC(=O)OCC(C)C)c2)c1 ZINC000012811918 568985952 /nfs/dbraw/zinc/98/59/52/568985952.db2.gz WDYIGOWSFITXFY-UHFFFAOYSA-N 0 0 412.486 5.327 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)cs1 ZINC000012811925 568985950 /nfs/dbraw/zinc/98/59/50/568985950.db2.gz FSTIZFVLNSBXFC-UHFFFAOYSA-N 0 0 404.516 5.663 50 0 HKAARN CC(C)c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1C1CC1 ZINC000012812054 568985750 /nfs/dbraw/zinc/98/57/50/568985750.db2.gz RAUDCAJYINYZQR-UHFFFAOYSA-N 0 0 418.566 5.292 50 0 HKAARN 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COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000012813617 568987702 /nfs/dbraw/zinc/98/77/02/568987702.db2.gz IFMNCHLWKKYWJI-AVRWGWEMSA-N 0 0 414.505 5.780 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000012813622 568987653 /nfs/dbraw/zinc/98/76/53/568987653.db2.gz IFMNCHLWKKYWJI-CJAUYULYSA-N 0 0 414.505 5.780 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000012813625 568987600 /nfs/dbraw/zinc/98/76/00/568987600.db2.gz XXTJOXGHXGXPIP-UHFFFAOYSA-N 0 0 409.482 5.119 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000012813626 568987655 /nfs/dbraw/zinc/98/76/55/568987655.db2.gz IFMNCHLWKKYWJI-IQGLISFBSA-N 0 0 414.505 5.780 50 0 HKAARN CSc1ccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)cc1 ZINC000012813805 568987907 /nfs/dbraw/zinc/98/79/07/568987907.db2.gz LEDVYAWHCZNDBP-UHFFFAOYSA-N 0 0 406.577 5.368 50 0 HKAARN CSc1ccc(CN(C)Cn2nc(Nc3cccc(F)c3)sc2=S)cc1 ZINC000012813817 568987863 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CC[C@@H](C)[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000012815962 569403906 /nfs/dbraw/zinc/40/39/06/569403906.db2.gz LWNBBPLAEOEZHK-VGOFRKELSA-N 0 0 409.526 5.227 50 0 HKAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000012815968 569403874 /nfs/dbraw/zinc/40/38/74/569403874.db2.gz LWNBBPLAEOEZHK-HTAPYJJXSA-N 0 0 409.526 5.227 50 0 HKAARN CC[C@@H](C)[C@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000012815973 569403887 /nfs/dbraw/zinc/40/38/87/569403887.db2.gz LWNBBPLAEOEZHK-VGSWGCGISA-N 0 0 409.526 5.227 50 0 HKAARN CC[C@H](C)[C@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000012815978 569403900 /nfs/dbraw/zinc/40/39/00/569403900.db2.gz LWNBBPLAEOEZHK-JTSKRJEESA-N 0 0 409.526 5.227 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(SCC(=O)N(C)Cc2ccco2)n1 ZINC000012816247 568989742 /nfs/dbraw/zinc/98/97/42/568989742.db2.gz BXBMYLDUKGOWDM-UHFFFAOYSA-N 0 0 415.565 5.072 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(Br)cc2F)s1 ZINC000012816442 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Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1C ZINC000012849059 558479197 /nfs/dbraw/zinc/47/91/97/558479197.db2.gz QWGTYRCWKMQMIW-RHSMWYFYSA-N 0 0 420.460 5.474 50 0 HKAARN Cc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2-c2ccc(C)cc2)cc1 ZINC000012849778 569010319 /nfs/dbraw/zinc/01/03/19/569010319.db2.gz IXQLTZWTQQGSCL-UHFFFAOYSA-N 0 0 415.518 5.045 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000012851493 558479390 /nfs/dbraw/zinc/47/93/90/558479390.db2.gz ILJYYNUSPJMWMQ-UHFFFAOYSA-N 0 0 424.751 5.326 50 0 HKAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(ccc3ccccc23)s1 ZINC000012852838 569010573 /nfs/dbraw/zinc/01/05/73/569010573.db2.gz KUKHVEWOKHXQFU-UHFFFAOYSA-N 0 0 402.504 5.149 50 0 HKAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012853385 569010780 /nfs/dbraw/zinc/01/07/80/569010780.db2.gz KANMNUWRMRGZCX-NRFANRHFSA-N 0 0 408.571 5.120 50 0 HKAARN CCOc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012853389 569010798 /nfs/dbraw/zinc/01/07/98/569010798.db2.gz KANMNUWRMRGZCX-OAQYLSRUSA-N 0 0 408.571 5.120 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012854315 558479897 /nfs/dbraw/zinc/47/98/97/558479897.db2.gz XBWJKXNBKIWGIS-AWEZNQCLSA-N 0 0 416.852 5.054 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012854321 558479887 /nfs/dbraw/zinc/47/98/87/558479887.db2.gz XBWJKXNBKIWGIS-CQSZACIVSA-N 0 0 416.852 5.054 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2s1 ZINC000012854420 558479923 /nfs/dbraw/zinc/47/99/23/558479923.db2.gz CEDWTWQONARLJG-UHFFFAOYSA-N 0 0 408.310 5.594 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2s1 ZINC000012854424 558479916 /nfs/dbraw/zinc/47/99/16/558479916.db2.gz RXSCYTZDJOYZJC-UHFFFAOYSA-N 0 0 419.959 5.419 50 0 HKAARN CC(=O)N(c1nc(COc2c(Cl)cccc2Cl)cs1)c1ccccc1F ZINC000012854791 558480117 /nfs/dbraw/zinc/48/01/17/558480117.db2.gz NROCMCQMWWVFEQ-UHFFFAOYSA-N 0 0 411.285 5.853 50 0 HKAARN COc1ccc([C@@H]2OC(c3ccc(Cl)cc3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854835 558480332 /nfs/dbraw/zinc/48/03/32/558480332.db2.gz WKLBVAVBSPQHFB-QFIPXVFZSA-N 0 0 407.853 5.318 50 0 HKAARN COc1ccc([C@H]2OC(c3ccc(Cl)cc3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854841 558480278 /nfs/dbraw/zinc/48/02/78/558480278.db2.gz WKLBVAVBSPQHFB-JOCHJYFZSA-N 0 0 407.853 5.318 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NCCCCOc1ccc(F)cc1 ZINC000012855184 569010953 /nfs/dbraw/zinc/01/09/53/569010953.db2.gz KWHVRAPAXJRMOU-UHFFFAOYSA-N 0 0 418.921 5.121 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000012855227 558480550 /nfs/dbraw/zinc/48/05/50/558480550.db2.gz JMAXJIVQOCEULD-UHFFFAOYSA-N 0 0 424.909 5.643 50 0 HKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N(Cc1ccccc1)C1CC1 ZINC000012855257 569404131 /nfs/dbraw/zinc/40/41/31/569404131.db2.gz QMGLMGUVEZHYFR-DTQAZKPQSA-N 0 0 420.516 5.139 50 0 HKAARN COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(F)c1F ZINC000012855263 558480482 /nfs/dbraw/zinc/48/04/82/558480482.db2.gz XAPSUIGTDKQXSY-UHFFFAOYSA-N 0 0 416.330 5.312 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1Cl ZINC000012855288 558480570 /nfs/dbraw/zinc/48/05/70/558480570.db2.gz WCIWKKHXLDTJJW-UHFFFAOYSA-N 0 0 420.896 6.533 50 0 HKAARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl ZINC000012855331 558480507 /nfs/dbraw/zinc/48/05/07/558480507.db2.gz ZUZMPOAFPKIFPD-UHFFFAOYSA-N 0 0 418.928 6.066 50 0 HKAARN O=C(Nc1ccc(I)cc1F)c1ccc(-c2ccccc2)cc1 ZINC000012855405 560787115 /nfs/dbraw/zinc/78/71/15/560787115.db2.gz GSAPYNNWFNEZCI-UHFFFAOYSA-N 0 0 417.221 5.350 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2cc1C ZINC000012855596 558480475 /nfs/dbraw/zinc/48/04/75/558480475.db2.gz KFQOZEHCGHWEIQ-DHZHZOJOSA-N 0 0 402.881 6.417 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000012855610 558480496 /nfs/dbraw/zinc/48/04/96/558480496.db2.gz XVTBKLNGXNJREK-UHFFFAOYSA-N 0 0 400.482 5.113 50 0 HKAARN Cc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(C)c1 ZINC000012855678 569011025 /nfs/dbraw/zinc/01/10/25/569011025.db2.gz VTGWJPNIVNHZLQ-UHFFFAOYSA-N 0 0 410.583 5.439 50 0 HKAARN O=C(c1cc(F)ccc1Br)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012855795 569010966 /nfs/dbraw/zinc/01/09/66/569010966.db2.gz JJDVLMNWUQGRLZ-UHFFFAOYSA-N 0 0 419.319 5.218 50 0 HKAARN CC(C)(C)c1ccc(CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000012855981 569404130 /nfs/dbraw/zinc/40/41/30/569404130.db2.gz FPFFNBYGWRMWBR-LDADJPATSA-N 0 0 419.468 6.239 50 0 HKAARN Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cc2)cs1 ZINC000012856422 569011090 /nfs/dbraw/zinc/01/10/90/569011090.db2.gz UYLZQDMLSHNDLQ-UHFFFAOYSA-N 0 0 421.349 5.610 50 0 HKAARN CN(C(=O)CSc1nnc(-c2ccccc2)o1)C(c1ccccc1)c1ccccc1 ZINC000012856444 569011048 /nfs/dbraw/zinc/01/10/48/569011048.db2.gz RPKKDOKKUMCVDY-UHFFFAOYSA-N 0 0 415.518 5.077 50 0 HKAARN CC(C)Oc1cc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c(Cl)cc1Cl ZINC000012856520 569404060 /nfs/dbraw/zinc/40/40/60/569404060.db2.gz RUIQRZBEWXZEIW-UHFFFAOYSA-N 0 0 415.729 5.422 50 0 HKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)cc(C)c3O)oc2cc1C ZINC000012856536 558480573 /nfs/dbraw/zinc/48/05/73/558480573.db2.gz AXMOWDVCAUUTIN-UHFFFAOYSA-N 0 0 416.433 5.107 50 0 HKAARN COc1ccccc1C(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012856543 558480560 /nfs/dbraw/zinc/48/05/60/558480560.db2.gz HXSFORQVQRHYTA-UHFFFAOYSA-N 0 0 402.450 5.387 50 0 HKAARN Cc1cc(C)c(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c(Cl)c1 ZINC000012856573 569011143 /nfs/dbraw/zinc/01/11/43/569011143.db2.gz ZBJKJFGCWUNRPH-UHFFFAOYSA-N 0 0 410.930 5.372 50 0 HKAARN CC(C)c1ccc(/C=C\c2ccnc3nc(SC/C=C/c4ccccc4)nn32)cc1 ZINC000012856588 569404110 /nfs/dbraw/zinc/40/41/10/569404110.db2.gz PKRCXWZPMYULHK-LLRUOWDYSA-N 0 0 412.562 6.224 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000012856631 558480766 /nfs/dbraw/zinc/48/07/66/558480766.db2.gz YNUCXJKGBKFKKJ-UHFFFAOYSA-N 0 0 408.841 5.505 50 0 HKAARN CC(C)COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000012856643 558480824 /nfs/dbraw/zinc/48/08/24/558480824.db2.gz AWFVJBBVTJMGCL-UHFFFAOYSA-N 0 0 402.450 5.488 50 0 HKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2c(F)cccc2F)n1 ZINC000012856724 569404133 /nfs/dbraw/zinc/40/41/33/569404133.db2.gz JAOFSLYCRXXGIP-OAHLLOKOSA-N 0 0 422.406 5.796 50 0 HKAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(Cl)cc2)n1 ZINC000012856731 569404129 /nfs/dbraw/zinc/40/41/29/569404129.db2.gz BTGKNDJAZLRZJA-INIZCTEOSA-N 0 0 420.871 6.171 50 0 HKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(Cl)cc2)n1 ZINC000012856738 569404125 /nfs/dbraw/zinc/40/41/25/569404125.db2.gz BTGKNDJAZLRZJA-MRXNPFEDSA-N 0 0 420.871 6.171 50 0 HKAARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(COc2ccccc2)cc1 ZINC000012856776 560787110 /nfs/dbraw/zinc/78/71/10/560787110.db2.gz ZDETWIPNRMUBQT-UHFFFAOYSA-N 0 0 416.702 5.934 50 0 HKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012857139 558480808 /nfs/dbraw/zinc/48/08/08/558480808.db2.gz BECSDHKIWOCOGP-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000012857151 558480745 /nfs/dbraw/zinc/48/07/45/558480745.db2.gz JLZAMLRKUUHJLF-UHFFFAOYSA-N 0 0 413.477 5.349 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2C(N)=O)C1 ZINC000012857232 558480785 /nfs/dbraw/zinc/48/07/85/558480785.db2.gz CAHUSXPBLMHGKJ-CYBMUJFWSA-N 0 0 416.974 5.076 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2C(N)=O)C1 ZINC000012857238 558480759 /nfs/dbraw/zinc/48/07/59/558480759.db2.gz CAHUSXPBLMHGKJ-ZDUSSCGKSA-N 0 0 416.974 5.076 50 0 HKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2)c1nnc(-c2cccs2)o1 ZINC000012857355 558480781 /nfs/dbraw/zinc/48/07/81/558480781.db2.gz ZHOXXIIDLJKAJX-KGLIPLIRSA-N 0 0 419.506 5.389 50 0 HKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)c1nnc(-c2cccs2)o1 ZINC000012857364 558480794 /nfs/dbraw/zinc/48/07/94/558480794.db2.gz ZHOXXIIDLJKAJX-KBPBESRZSA-N 0 0 419.506 5.389 50 0 HKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2)c1nnc(-c2cccs2)o1 ZINC000012857372 558480732 /nfs/dbraw/zinc/48/07/32/558480732.db2.gz ZHOXXIIDLJKAJX-ZIAGYGMSSA-N 0 0 419.506 5.389 50 0 HKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)c1nnc(-c2cccs2)o1 ZINC000012857380 558480754 /nfs/dbraw/zinc/48/07/54/558480754.db2.gz ZHOXXIIDLJKAJX-UONOGXRCSA-N 0 0 419.506 5.389 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]2C=C(Cl)C=C[C@@H]2S1 ZINC000012857559 569404104 /nfs/dbraw/zinc/40/41/04/569404104.db2.gz PCCPROCGFPNVMC-XGVBPZLHSA-N 0 0 403.853 5.825 50 0 HKAARN Cc1ccc(-c2cnc3c(-c4ccccc4)c(COc4ccccc4)nn3c2N)cc1 ZINC000012857821 558480791 /nfs/dbraw/zinc/48/07/91/558480791.db2.gz CYCXURYFJPIFIS-UHFFFAOYSA-N 0 0 406.489 5.533 50 0 HKAARN O=C(c1ccccc1)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000012858154 569011283 /nfs/dbraw/zinc/01/12/83/569011283.db2.gz OPLZVNCADJRDKC-UHFFFAOYSA-N 0 0 419.477 5.671 50 0 HKAARN Fc1ccc(OCc2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000012858164 569011320 /nfs/dbraw/zinc/01/13/20/569011320.db2.gz NIPHQZGLJBHGKN-UHFFFAOYSA-N 0 0 416.474 5.948 50 0 HKAARN CCOc1ccc(OCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(F)c2)cc1 ZINC000012858592 569011470 /nfs/dbraw/zinc/01/14/70/569011470.db2.gz BDZAOCIYCAMLSO-VWLOTQADSA-N 0 0 407.485 5.071 50 0 HKAARN CCOc1ccc(OCC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(F)c2)cc1 ZINC000012858601 569011496 /nfs/dbraw/zinc/01/14/96/569011496.db2.gz BDZAOCIYCAMLSO-RUZDIDTESA-N 0 0 407.485 5.071 50 0 HKAARN Cc1cc(=O)oc2cc(OCc3nc(-c4ccc(Cl)cc4)no3)c(Cl)cc12 ZINC000012859893 569011464 /nfs/dbraw/zinc/01/14/64/569011464.db2.gz ZKYJSOPFIYJQCX-UHFFFAOYSA-N 0 0 403.221 5.037 50 0 HKAARN Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012859956 569011510 /nfs/dbraw/zinc/01/15/10/569011510.db2.gz ZOZZPXQRMXSKCG-UHFFFAOYSA-N 0 0 410.495 5.025 50 0 HKAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000012860337 569404209 /nfs/dbraw/zinc/40/42/09/569404209.db2.gz WWXARJSFXLLRPG-UHFFFAOYSA-N 0 0 423.683 6.073 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000012860652 558481057 /nfs/dbraw/zinc/48/10/57/558481057.db2.gz ZAQLDPVFLIBJJB-NTEUORMPSA-N 0 0 415.924 6.659 50 0 HKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 ZINC000012860678 569404222 /nfs/dbraw/zinc/40/42/22/569404222.db2.gz VHBFQPWPGUIFDJ-ZZIIXHQDSA-N 0 0 413.517 6.665 50 0 biogenic HKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000012861032 569011677 /nfs/dbraw/zinc/01/16/77/569011677.db2.gz BTRONMSPWGPDQX-UHFFFAOYSA-N 0 0 422.598 5.262 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000012861075 569011695 /nfs/dbraw/zinc/01/16/95/569011695.db2.gz RHNQYSXWOLVTNI-UHFFFAOYSA-N 0 0 402.903 5.253 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1c(C)nn(CC(C)C)c1C)oc1ccccc12 ZINC000012861109 569011745 /nfs/dbraw/zinc/01/17/45/569011745.db2.gz KCDLLBWFQWYSNO-UHFFFAOYSA-N 0 0 405.498 5.245 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012861405 558481021 /nfs/dbraw/zinc/48/10/21/558481021.db2.gz JVIKNLSVCOCDPG-UHFFFAOYSA-N 0 0 421.525 6.201 50 0 HKAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000012861563 569011901 /nfs/dbraw/zinc/01/19/01/569011901.db2.gz VFFMYZZBKVVYBS-UHFFFAOYSA-N 0 0 402.878 5.065 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000012861786 569011730 /nfs/dbraw/zinc/01/17/30/569011730.db2.gz YRHQLSWYJRTNTD-UHFFFAOYSA-N 0 0 420.494 5.087 50 0 HKAARN CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)cc1 ZINC000012861846 558481004 /nfs/dbraw/zinc/48/10/04/558481004.db2.gz SCZDQZVGOISMAM-ZZIIXHQDSA-N 0 0 413.517 6.665 50 0 biogenic HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 ZINC000012862027 569011750 /nfs/dbraw/zinc/01/17/50/569011750.db2.gz SSPHLLAMULGVOM-GFCCVEGCSA-N 0 0 423.727 6.112 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 ZINC000012862035 569011761 /nfs/dbraw/zinc/01/17/61/569011761.db2.gz SSPHLLAMULGVOM-LBPRGKRZSA-N 0 0 423.727 6.112 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3cccc(Cl)c3)cnn21 ZINC000012862071 558481397 /nfs/dbraw/zinc/48/13/97/558481397.db2.gz IRELLUJDRGQIAI-UHFFFAOYSA-N 0 0 408.210 6.389 50 0 HKAARN COCc1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1-c1ccc(OC)cc1 ZINC000012862128 558481324 /nfs/dbraw/zinc/48/13/24/558481324.db2.gz AAOOUKMBYBKOHS-UHFFFAOYSA-N 0 0 419.428 5.299 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(CN(Cc3ccco3)Cc3cccs3)n2)cc1 ZINC000012862336 569011864 /nfs/dbraw/zinc/01/18/64/569011864.db2.gz YQUQFGSARPGBIP-UHFFFAOYSA-N 0 0 419.428 5.612 50 0 HKAARN O=C(NCc1ccccc1)c1nnc(CSc2c(Cl)cccc2Cl)s1 ZINC000012862342 569011919 /nfs/dbraw/zinc/01/19/19/569011919.db2.gz VGRGTYILSOJGAO-UHFFFAOYSA-N 0 0 410.351 5.067 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1 ZINC000012863097 569011962 /nfs/dbraw/zinc/01/19/62/569011962.db2.gz AEFCFYPQISAHES-UHFFFAOYSA-N 0 0 403.463 5.281 50 0 HKAARN COc1ccccc1[C@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000012863686 558481481 /nfs/dbraw/zinc/48/14/81/558481481.db2.gz BLORJSGUUHAICH-SACAOSOOSA-N 0 0 423.597 5.768 50 0 biogenic HKAARN Cc1ccc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2c1 ZINC000012863825 569011964 /nfs/dbraw/zinc/01/19/64/569011964.db2.gz VSNWQFJAAQHXKA-UHFFFAOYSA-N 0 0 420.391 5.201 50 0 HKAARN Cc1ccc(-n2nnnc2SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000012864233 569011989 /nfs/dbraw/zinc/01/19/89/569011989.db2.gz XERXCDILZKZGER-UHFFFAOYSA-N 0 0 423.586 5.338 50 0 HKAARN O=C(Nc1ccc(Br)cc1Cl)c1occc1COc1ccccc1 ZINC000012864580 569011995 /nfs/dbraw/zinc/01/19/95/569011995.db2.gz CGUHPHLIZOGAAO-UHFFFAOYSA-N 0 0 406.663 5.527 50 0 HKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3ccccc3Cl)c12 ZINC000012864795 569012080 /nfs/dbraw/zinc/01/20/80/569012080.db2.gz OSPTUWFASLVJFI-UHFFFAOYSA-N 0 0 409.848 5.263 50 0 HKAARN O=C(CSc1nc2ccccc2o1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012864900 569012048 /nfs/dbraw/zinc/01/20/48/569012048.db2.gz HZBMZRYVCCMAGB-MRXNPFEDSA-N 0 0 409.536 5.283 50 0 HKAARN O=C(CSc1nc2ccccc2o1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012864907 569012049 /nfs/dbraw/zinc/01/20/49/569012049.db2.gz HZBMZRYVCCMAGB-INIZCTEOSA-N 0 0 409.536 5.283 50 0 HKAARN Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c(Cl)c1 ZINC000012865006 569012059 /nfs/dbraw/zinc/01/20/59/569012059.db2.gz CMQCUFPZVVLZBC-UHFFFAOYSA-N 0 0 408.933 5.558 50 0 HKAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 ZINC000012865164 569012058 /nfs/dbraw/zinc/01/20/58/569012058.db2.gz PURGMXKEZZNENG-UHFFFAOYSA-N 0 0 418.309 5.134 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 ZINC000012865308 569012038 /nfs/dbraw/zinc/01/20/38/569012038.db2.gz SQAARVBQYAMRDD-UHFFFAOYSA-N 0 0 410.901 5.530 50 0 HKAARN Cc1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 ZINC000012865566 569012113 /nfs/dbraw/zinc/01/21/13/569012113.db2.gz WMLNEQUNYOQZAX-UHFFFAOYSA-N 0 0 420.365 5.496 50 0 HKAARN Cc1nc2sc3c(c2c(-c2ccc(Br)cc2)c1C(N)=O)CCCC3 ZINC000012865631 569012146 /nfs/dbraw/zinc/01/21/46/569012146.db2.gz POUXYQPTIDOZFF-UHFFFAOYSA-N 0 0 401.329 5.012 50 0 HKAARN CN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)Cc1ccccc1Cl ZINC000012866274 558481776 /nfs/dbraw/zinc/48/17/76/558481776.db2.gz BUTYFRARBGFVKA-UHFFFAOYSA-N 0 0 413.905 5.076 50 0 HKAARN Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c(C)c1 ZINC000012866309 569012211 /nfs/dbraw/zinc/01/22/11/569012211.db2.gz JRMZKLXWVZCMEY-UHFFFAOYSA-N 0 0 407.514 5.040 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N(C)Cc1ccccc1Cl ZINC000012866711 569012179 /nfs/dbraw/zinc/01/21/79/569012179.db2.gz NFCXDHJXHFKILT-UHFFFAOYSA-N 0 0 400.931 5.265 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012867401 569012227 /nfs/dbraw/zinc/01/22/27/569012227.db2.gz AAERLDVRKOBORY-UHFFFAOYSA-N 0 0 405.325 5.497 50 0 HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012867613 558482043 /nfs/dbraw/zinc/48/20/43/558482043.db2.gz HONOKMUVEQPOAM-XGYCBEGRSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012867849 569012244 /nfs/dbraw/zinc/01/22/44/569012244.db2.gz HSNAKZMYKUDORO-UHFFFAOYSA-N 0 0 407.322 5.519 50 0 HKAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000012867961 569404353 /nfs/dbraw/zinc/40/43/53/569404353.db2.gz NGYPBQRYSLNPIQ-CAOOACKPSA-N 0 0 416.565 5.081 50 0 HKAARN O=C(c1cc(Br)ccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012868807 569012311 /nfs/dbraw/zinc/01/23/11/569012311.db2.gz MUDQJQIKUNXPKF-GFCCVEGCSA-N 0 0 419.319 5.218 50 0 HKAARN O=C(c1cc(Br)ccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012868813 569012330 /nfs/dbraw/zinc/01/23/30/569012330.db2.gz MUDQJQIKUNXPKF-LBPRGKRZSA-N 0 0 419.319 5.218 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 ZINC000012869108 569404357 /nfs/dbraw/zinc/40/43/57/569404357.db2.gz XKUHBADMIQYRCC-FMIVXFBMSA-N 0 0 410.470 5.173 50 0 HKAARN Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)on1 ZINC000012870025 569012427 /nfs/dbraw/zinc/01/24/27/569012427.db2.gz UUIGVUZRLSISNL-LLVKDONJSA-N 0 0 409.536 5.698 50 0 HKAARN Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)on1 ZINC000012870031 569012438 /nfs/dbraw/zinc/01/24/38/569012438.db2.gz UUIGVUZRLSISNL-NSHDSACASA-N 0 0 409.536 5.698 50 0 HKAARN CCOc1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000012871545 569013296 /nfs/dbraw/zinc/01/32/96/569013296.db2.gz ZVTUDCSXYRPOTE-UHFFFAOYSA-N 0 0 407.495 5.528 50 0 HKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)o1 ZINC000012873516 558482188 /nfs/dbraw/zinc/48/21/88/558482188.db2.gz NLIOZIUMXKBEHD-UHFFFAOYSA-N 0 0 401.441 5.123 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1Cl ZINC000012873643 569013523 /nfs/dbraw/zinc/01/35/23/569013523.db2.gz UPYQFJZYJXNUIH-UHFFFAOYSA-N 0 0 423.856 5.121 50 0 HKAARN CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc21 ZINC000012873965 569013463 /nfs/dbraw/zinc/01/34/63/569013463.db2.gz CQUNGPBPYAFFQM-OAHLLOKOSA-N 0 0 406.555 5.177 50 0 HKAARN CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc21 ZINC000012873970 569013465 /nfs/dbraw/zinc/01/34/65/569013465.db2.gz CQUNGPBPYAFFQM-HNNXBMFYSA-N 0 0 406.555 5.177 50 0 HKAARN Cc1c(C(=O)NCc2ccc(OC(F)(F)F)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000012875008 569013527 /nfs/dbraw/zinc/01/35/27/569013527.db2.gz HKCGAKOMOIHNPT-UHFFFAOYSA-N 0 0 421.444 5.014 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cn2ccccc2=O)o1 ZINC000012875426 569013561 /nfs/dbraw/zinc/01/35/61/569013561.db2.gz ORBHWECDKHDIRG-UHFFFAOYSA-N 0 0 420.852 5.188 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000012876901 569013752 /nfs/dbraw/zinc/01/37/52/569013752.db2.gz VEOPJPJAJXYQDH-HBDGIVRWSA-N 0 0 411.571 5.005 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000012876909 569013775 /nfs/dbraw/zinc/01/37/75/569013775.db2.gz VEOPJPJAJXYQDH-YLUBKRJZSA-N 0 0 411.571 5.005 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCS[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012877121 569013763 /nfs/dbraw/zinc/01/37/63/569013763.db2.gz NQSYDAFLKJEPFT-LJQANCHMSA-N 0 0 412.599 5.906 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCS[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012877130 569013779 /nfs/dbraw/zinc/01/37/79/569013779.db2.gz NQSYDAFLKJEPFT-IBGZPJMESA-N 0 0 412.599 5.906 50 0 HKAARN Cc1c(C(=O)Nc2ccc(OC(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012877133 569013762 /nfs/dbraw/zinc/01/37/62/569013762.db2.gz LNISDVNQTDJQIT-UHFFFAOYSA-N 0 0 411.330 5.053 50 0 HKAARN Cc1nc2cc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)ccc2o1 ZINC000012877746 558482763 /nfs/dbraw/zinc/48/27/63/558482763.db2.gz JYYKWYZYBRXAAQ-UHFFFAOYSA-N 0 0 408.461 5.300 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000012877963 569013829 /nfs/dbraw/zinc/01/38/29/569013829.db2.gz OVRWQGBUIXMQCK-LJQANCHMSA-N 0 0 406.935 5.188 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000012877970 569013819 /nfs/dbraw/zinc/01/38/19/569013819.db2.gz OVRWQGBUIXMQCK-IBGZPJMESA-N 0 0 406.935 5.188 50 0 HKAARN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CCCOc1ccc(Cl)cc1 ZINC000012878056 569013796 /nfs/dbraw/zinc/01/37/96/569013796.db2.gz AATFAEBFPDFFCD-UHFFFAOYSA-N 0 0 408.807 5.052 50 0 HKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccc(Cl)cc1 ZINC000012878187 569013843 /nfs/dbraw/zinc/01/38/43/569013843.db2.gz FHTSHSZKZPSEDF-UHFFFAOYSA-N 0 0 424.875 5.384 50 0 HKAARN Cc1c(C(=O)Nc2nc(C(C)(C)C)cs2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012878195 569013890 /nfs/dbraw/zinc/01/38/90/569013890.db2.gz SMIMLTKFUJRASW-UHFFFAOYSA-N 0 0 412.540 5.574 50 0 HKAARN O=C(COc1ccccc1C1SCCS1)Nc1cc(Cl)cc(Cl)c1 ZINC000012878373 569014020 /nfs/dbraw/zinc/01/40/20/569014020.db2.gz QTXNFAZGGNJMTO-UHFFFAOYSA-N 0 0 400.352 5.490 50 0 HKAARN C[C@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000012879992 569014745 /nfs/dbraw/zinc/01/47/45/569014745.db2.gz OQUYPHMGYAOLHO-INIZCTEOSA-N 0 0 424.591 5.073 50 0 HKAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000012880001 569014735 /nfs/dbraw/zinc/01/47/35/569014735.db2.gz OQUYPHMGYAOLHO-MRXNPFEDSA-N 0 0 424.591 5.073 50 0 HKAARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1c(Cl)cccc1Cl ZINC000012881796 569018706 /nfs/dbraw/zinc/01/87/06/569018706.db2.gz CIJBQBGZVJSMGL-UHFFFAOYSA-N 0 0 401.696 5.389 50 0 HKAARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc2nc(C3CC3)nc(C)c12 ZINC000012881881 558483103 /nfs/dbraw/zinc/48/31/03/558483103.db2.gz BPAHLGLLBBTGCT-UHFFFAOYSA-N 0 0 405.445 5.134 50 0 HKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000012883249 569019169 /nfs/dbraw/zinc/01/91/69/569019169.db2.gz SKBRYIZSVUPHAR-UHFFFAOYSA-N 0 0 421.497 5.168 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000012883868 569019323 /nfs/dbraw/zinc/01/93/23/569019323.db2.gz ZCFDLYOHUFSNDS-UHFFFAOYSA-N 0 0 412.917 5.872 50 0 HKAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012885004 569019443 /nfs/dbraw/zinc/01/94/43/569019443.db2.gz SRVVUFUETIXZMZ-UHFFFAOYSA-N 0 0 403.869 5.329 50 0 HKAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000012885338 569019506 /nfs/dbraw/zinc/01/95/06/569019506.db2.gz LLOXGYFEVLBXFD-UHFFFAOYSA-N 0 0 421.255 5.103 50 0 HKAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012886316 569019557 /nfs/dbraw/zinc/01/95/57/569019557.db2.gz VJQKVNSUQIAWFT-AWEZNQCLSA-N 0 0 412.509 5.982 50 0 HKAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012886322 569019550 /nfs/dbraw/zinc/01/95/50/569019550.db2.gz VJQKVNSUQIAWFT-CQSZACIVSA-N 0 0 412.509 5.982 50 0 HKAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)c3ccccc3[C@H]2c2[nH]c3ccccc3c21 ZINC000012886542 569404579 /nfs/dbraw/zinc/40/45/79/569404579.db2.gz RGWGCRLKPYTZHF-CPJSRVTESA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)c3ccccc3[C@H]2c2[nH]c3ccccc3c21 ZINC000012886550 569404587 /nfs/dbraw/zinc/40/45/87/569404587.db2.gz RGWGCRLKPYTZHF-NLFFAJNJSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)c3ccccc3[C@@H]2c2[nH]c3ccccc3c21 ZINC000012886557 569404543 /nfs/dbraw/zinc/40/45/43/569404543.db2.gz RGWGCRLKPYTZHF-CJFMBICVSA-N 0 0 424.500 5.266 50 0 biogenic HKAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ncc(-c2ccccc2)o1 ZINC000012886747 569019540 /nfs/dbraw/zinc/01/95/40/569019540.db2.gz LOUIFJADBAEIHE-UHFFFAOYSA-N 0 0 423.822 5.084 50 0 HKAARN COc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(OC)cc1Cl ZINC000012886760 569019565 /nfs/dbraw/zinc/01/95/65/569019565.db2.gz YMCOLTQDAXPWHB-UHFFFAOYSA-N 0 0 416.909 5.059 50 0 HKAARN CSc1nc(C)nc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000012886766 569019511 /nfs/dbraw/zinc/01/95/11/569019511.db2.gz VENHFFYQXDUVFB-UHFFFAOYSA-N 0 0 410.568 5.070 50 0 HKAARN CC(C)Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccccc1F ZINC000012886921 569019543 /nfs/dbraw/zinc/01/95/43/569019543.db2.gz LVCZKOXLWGSJFC-UHFFFAOYSA-N 0 0 416.497 5.000 50 0 HKAARN Cc1ccc([C@@H](NC(=O)COc2ccc(C3SCCCS3)cc2)C2CC2)cc1 ZINC000012887489 569019660 /nfs/dbraw/zinc/01/96/60/569019660.db2.gz HXRPJTBCFFOOID-JOCHJYFZSA-N 0 0 413.608 5.510 50 0 HKAARN Cc1ccc([C@H](NC(=O)COc2ccc(C3SCCCS3)cc2)C2CC2)cc1 ZINC000012887497 569019643 /nfs/dbraw/zinc/01/96/43/569019643.db2.gz HXRPJTBCFFOOID-QFIPXVFZSA-N 0 0 413.608 5.510 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1Cl ZINC000012887558 569019634 /nfs/dbraw/zinc/01/96/34/569019634.db2.gz DNPVTQRFJNFFRH-UHFFFAOYSA-N 0 0 416.909 5.059 50 0 HKAARN CSc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012887664 569019657 /nfs/dbraw/zinc/01/96/57/569019657.db2.gz NQXUUZZXYQFODL-HXUWFJFHSA-N 0 0 400.594 5.118 50 0 HKAARN CSc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012887672 569019675 /nfs/dbraw/zinc/01/96/75/569019675.db2.gz NQXUUZZXYQFODL-FQEVSTJZSA-N 0 0 400.594 5.118 50 0 HKAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012887697 569404546 /nfs/dbraw/zinc/40/45/46/569404546.db2.gz HRZOVSRBTBHVAG-FMAYLGMYSA-N 0 0 420.534 5.225 50 0 HKAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012887704 569404541 /nfs/dbraw/zinc/40/45/41/569404541.db2.gz HRZOVSRBTBHVAG-RDELFYGPSA-N 0 0 420.534 5.225 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000012888619 569404576 /nfs/dbraw/zinc/40/45/76/569404576.db2.gz HRILSFPZJJCQCF-AATRIKPKSA-N 0 0 406.269 5.088 50 0 HKAARN Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1 ZINC000012888663 569019512 /nfs/dbraw/zinc/01/95/12/569019512.db2.gz JZBSZBVOCYCNSY-OAHLLOKOSA-N 0 0 406.511 5.054 50 0 HKAARN Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1 ZINC000012888671 569019788 /nfs/dbraw/zinc/01/97/88/569019788.db2.gz JZBSZBVOCYCNSY-HNNXBMFYSA-N 0 0 406.511 5.054 50 0 HKAARN FC(F)(F)c1nnc2ccc(N[C@H](c3cc4ccccc4o3)c3ccccc3)nn21 ZINC000012889261 569019851 /nfs/dbraw/zinc/01/98/51/569019851.db2.gz XBIRCEQBKFMMKE-IBGZPJMESA-N 0 0 409.371 5.091 50 0 HKAARN FC(F)(F)c1nnc2ccc(N[C@@H](c3cc4ccccc4o3)c3ccccc3)nn21 ZINC000012889269 569019852 /nfs/dbraw/zinc/01/98/52/569019852.db2.gz XBIRCEQBKFMMKE-LJQANCHMSA-N 0 0 409.371 5.091 50 0 HKAARN CCOc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OCC)c1OCC ZINC000012890068 569019918 /nfs/dbraw/zinc/01/99/18/569019918.db2.gz XTXPNQDNUYTZJB-MRXNPFEDSA-N 0 0 415.555 5.414 50 0 HKAARN CCOc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OCC)c1OCC ZINC000012890074 569019903 /nfs/dbraw/zinc/01/99/03/569019903.db2.gz XTXPNQDNUYTZJB-INIZCTEOSA-N 0 0 415.555 5.414 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012890142 569404574 /nfs/dbraw/zinc/40/45/74/569404574.db2.gz WZEMAOGDJKAGCX-VULIGXMUSA-N 0 0 413.481 5.083 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012890149 569404559 /nfs/dbraw/zinc/40/45/59/569404559.db2.gz WZEMAOGDJKAGCX-DBZAVIBRSA-N 0 0 413.481 5.083 50 0 HKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)C(C)C)CC3)cc2)c1 ZINC000012890389 569019912 /nfs/dbraw/zinc/01/99/12/569019912.db2.gz UEAZGHKWLOWDGX-UHFFFAOYSA-N 0 0 410.583 5.288 50 0 HKAARN CSc1nc(-c2ccccc2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 ZINC000012890434 569019870 /nfs/dbraw/zinc/01/98/70/569019870.db2.gz GXNHLAVLRFZCBS-UHFFFAOYSA-N 0 0 418.971 5.982 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 ZINC000012890838 569020027 /nfs/dbraw/zinc/02/00/27/569020027.db2.gz XVGYZIVRMPYOHX-OAHLLOKOSA-N 0 0 409.515 5.084 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 ZINC000012890845 569020022 /nfs/dbraw/zinc/02/00/22/569020022.db2.gz XVGYZIVRMPYOHX-HNNXBMFYSA-N 0 0 409.515 5.084 50 0 HKAARN C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1c(F)cccc1F ZINC000012891229 569020055 /nfs/dbraw/zinc/02/00/55/569020055.db2.gz SPTBGUUXXDYUFM-MRVPVSSYSA-N 0 0 413.804 5.156 50 0 HKAARN C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1c(F)cccc1F ZINC000012891235 569020051 /nfs/dbraw/zinc/02/00/51/569020051.db2.gz SPTBGUUXXDYUFM-QMMMGPOBSA-N 0 0 413.804 5.156 50 0 HKAARN Cc1c(NC(=O)C(C)(C)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012891406 569020083 /nfs/dbraw/zinc/02/00/83/569020083.db2.gz HWIDFJZQOZUZDY-UHFFFAOYSA-N 0 0 418.562 5.171 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012891666 569020091 /nfs/dbraw/zinc/02/00/91/569020091.db2.gz YFGRDVNQYSOKLV-HKLCMNTNSA-N 0 0 408.586 5.346 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012891674 569020065 /nfs/dbraw/zinc/02/00/65/569020065.db2.gz YFGRDVNQYSOKLV-AZIODVPDSA-N 0 0 408.586 5.346 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012891682 569020042 /nfs/dbraw/zinc/02/00/42/569020042.db2.gz YFGRDVNQYSOKLV-SYNKRZKOSA-N 0 0 408.586 5.346 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012891687 569020073 /nfs/dbraw/zinc/02/00/73/569020073.db2.gz YFGRDVNQYSOKLV-LJVXEDPOSA-N 0 0 408.586 5.346 50 0 HKAARN COc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c(OC)cc1Cl ZINC000012892218 569404542 /nfs/dbraw/zinc/40/45/42/569404542.db2.gz OEGGCQVJNBKSLF-UHFFFAOYSA-N 0 0 423.856 5.055 50 0 HKAARN O=C(CCCCc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012892404 569020009 /nfs/dbraw/zinc/02/00/09/569020009.db2.gz YHNVQNIQEBHDFR-GOSISDBHSA-N 0 0 421.591 5.983 50 0 HKAARN O=C(CCCCc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012892411 569020029 /nfs/dbraw/zinc/02/00/29/569020029.db2.gz YHNVQNIQEBHDFR-SFHVURJKSA-N 0 0 421.591 5.983 50 0 HKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1-c1ccccc1 ZINC000012892549 569020185 /nfs/dbraw/zinc/02/01/85/569020185.db2.gz LTCIHDSZMHQNKA-UHFFFAOYSA-N 0 0 419.333 5.433 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2oc1-c1ccccc1 ZINC000012892869 569404705 /nfs/dbraw/zinc/40/47/05/569404705.db2.gz YHLRRTDXZLNKFS-UHFFFAOYSA-N 0 0 422.484 5.222 50 0 biogenic HKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)c1ccco1 ZINC000012893265 569404683 /nfs/dbraw/zinc/40/46/83/569404683.db2.gz OVCIOVNWAYMDSC-UHFFFAOYSA-N 0 0 411.413 5.540 50 0 biogenic HKAARN COc1ccc2cc(CNC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)ccc2c1 ZINC000012893417 569020128 /nfs/dbraw/zinc/02/01/28/569020128.db2.gz MSLXIOQUXKDPEM-UHFFFAOYSA-N 0 0 419.550 5.015 50 0 HKAARN CC1(C)CCc2c(c3c(-c4ccccc4)coc3c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000012893545 569404706 /nfs/dbraw/zinc/40/47/06/569404706.db2.gz YMAXHCFBNMQBPL-UHFFFAOYSA-N 0 0 422.480 6.977 50 0 biogenic HKAARN Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)c(Br)c1 ZINC000012894379 569020103 /nfs/dbraw/zinc/02/01/03/569020103.db2.gz IGSYLFSWRJHIQD-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000012894630 569020167 /nfs/dbraw/zinc/02/01/67/569020167.db2.gz GYXPPILYBQQKSO-MRXNPFEDSA-N 0 0 421.566 5.283 50 0 HKAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000012894638 569020179 /nfs/dbraw/zinc/02/01/79/569020179.db2.gz GYXPPILYBQQKSO-INIZCTEOSA-N 0 0 421.566 5.283 50 0 HKAARN Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2)cs1 ZINC000012894682 558483504 /nfs/dbraw/zinc/48/35/04/558483504.db2.gz QUOGLGWPDBSASQ-UHFFFAOYSA-N 0 0 420.456 5.322 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)cc1OC ZINC000012894744 569020158 /nfs/dbraw/zinc/02/01/58/569020158.db2.gz FGVIBSWYJRRRDA-UHFFFAOYSA-N 0 0 423.494 5.146 50 0 HKAARN O=C1CCCN1c1cccc(Oc2ncnc3scc(-c4ccc(F)cc4)c32)c1 ZINC000012895268 569020191 /nfs/dbraw/zinc/02/01/91/569020191.db2.gz QZOGMEHMJLJSKO-UHFFFAOYSA-N 0 0 405.454 5.417 50 0 HKAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000012895598 569020242 /nfs/dbraw/zinc/02/02/42/569020242.db2.gz CDNRJIDSVYNBQI-UHFFFAOYSA-N 0 0 424.599 5.086 50 0 HKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012895648 558483539 /nfs/dbraw/zinc/48/35/39/558483539.db2.gz ISNOOSUBCIVHLI-LJQANCHMSA-N 0 0 411.505 5.140 50 0 HKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012895658 558483591 /nfs/dbraw/zinc/48/35/91/558483591.db2.gz ISNOOSUBCIVHLI-IBGZPJMESA-N 0 0 411.505 5.140 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000012895872 569020318 /nfs/dbraw/zinc/02/03/18/569020318.db2.gz HAWZBYPNKURCQF-UHFFFAOYSA-N 0 0 411.299 5.471 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 ZINC000012896133 569020278 /nfs/dbraw/zinc/02/02/78/569020278.db2.gz FRWZWBBZEYNPHO-OAHLLOKOSA-N 0 0 403.511 5.394 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 ZINC000012896140 569020299 /nfs/dbraw/zinc/02/02/99/569020299.db2.gz FRWZWBBZEYNPHO-HNNXBMFYSA-N 0 0 403.511 5.394 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc1c2C ZINC000012896277 569385209 /nfs/dbraw/zinc/38/52/09/569385209.db2.gz CFBKLMYHNVRUAD-UHFFFAOYSA-N 0 0 414.461 5.517 50 0 biogenic HKAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1c(Cl)cccc1C(F)(F)F ZINC000012896786 569404786 /nfs/dbraw/zinc/40/47/86/569404786.db2.gz COQPIWDMMVGYAM-UHFFFAOYSA-N 0 0 412.795 5.186 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000012897651 569020341 /nfs/dbraw/zinc/02/03/41/569020341.db2.gz RLNXFFGBCPNWBX-LJQANCHMSA-N 0 0 406.935 5.188 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000012897657 569020359 /nfs/dbraw/zinc/02/03/59/569020359.db2.gz RLNXFFGBCPNWBX-IBGZPJMESA-N 0 0 406.935 5.188 50 0 HKAARN CCc1cccc(C)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012897748 558483483 /nfs/dbraw/zinc/48/34/83/558483483.db2.gz OXKRWZZJAIJTEI-UHFFFAOYSA-N 0 0 400.931 5.428 50 0 HKAARN CCc1ccc(-c2nc(CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)cs2)cc1 ZINC000012898772 569020478 /nfs/dbraw/zinc/02/04/78/569020478.db2.gz UDDXSORMHSOVTO-QHCPKHFHSA-N 0 0 406.551 5.191 50 0 HKAARN CCc1ccc(-c2nc(CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)cs2)cc1 ZINC000012898781 569020509 /nfs/dbraw/zinc/02/05/09/569020509.db2.gz UDDXSORMHSOVTO-HSZRJFAPSA-N 0 0 406.551 5.191 50 0 HKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ncc(-c2ccccc2)o1 ZINC000012898867 569020518 /nfs/dbraw/zinc/02/05/18/569020518.db2.gz DJASPFXFWQNIOB-UHFFFAOYSA-N 0 0 409.507 5.406 50 0 HKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 ZINC000012899741 569020559 /nfs/dbraw/zinc/02/05/59/569020559.db2.gz ZYUNGCUHKHINIQ-UHFFFAOYSA-N 0 0 401.394 5.113 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1Cl ZINC000012900433 569020736 /nfs/dbraw/zinc/02/07/36/569020736.db2.gz IQGNFULDLLWMAB-GFCCVEGCSA-N 0 0 423.390 6.233 50 0 HKAARN C[C@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1Cl ZINC000012900440 569020724 /nfs/dbraw/zinc/02/07/24/569020724.db2.gz IQGNFULDLLWMAB-LBPRGKRZSA-N 0 0 423.390 6.233 50 0 HKAARN COc1ccc(-c2nc(CSCCOc3ccccc3F)cs2)cc1OC ZINC000012900448 569020732 /nfs/dbraw/zinc/02/07/32/569020732.db2.gz TUHLVWCKKAVNED-UHFFFAOYSA-N 0 0 405.516 5.279 50 0 HKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 ZINC000012900731 569020735 /nfs/dbraw/zinc/02/07/35/569020735.db2.gz NHHAQONHQKEJMR-UHFFFAOYSA-N 0 0 400.434 5.209 50 0 biogenic HKAARN COc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012901601 569020817 /nfs/dbraw/zinc/02/08/17/569020817.db2.gz LPAWJOYCPYXDGI-UHFFFAOYSA-N 0 0 423.856 5.121 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000012901846 569020812 /nfs/dbraw/zinc/02/08/12/569020812.db2.gz FLXMKZYBNAQRAS-UHFFFAOYSA-N 0 0 422.337 5.216 50 0 HKAARN O=Cc1cc(Br)ccc1OCc1csc(COc2ccc(F)cc2)n1 ZINC000012902511 569020666 /nfs/dbraw/zinc/02/06/66/569020666.db2.gz LRBYHKASFCQQOI-UHFFFAOYSA-N 0 0 422.275 5.015 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1Cl ZINC000012902814 558483936 /nfs/dbraw/zinc/48/39/36/558483936.db2.gz AQSMSJNEAIGSHV-UHFFFAOYSA-N 0 0 410.861 5.187 50 0 HKAARN CCCCc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 ZINC000012902929 569020974 /nfs/dbraw/zinc/02/09/74/569020974.db2.gz GOJNZGHUJNEQKZ-UHFFFAOYSA-N 0 0 413.823 5.497 50 0 HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000012903658 569021034 /nfs/dbraw/zinc/02/10/34/569021034.db2.gz WKDBXYUYIYQCOB-UHFFFAOYSA-N 0 0 416.546 5.073 50 0 HKAARN CCCCOc1ccc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012903830 558483974 /nfs/dbraw/zinc/48/39/74/558483974.db2.gz IDFGALWIMVNTIW-UHFFFAOYSA-N 0 0 401.915 5.999 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(C(F)(F)F)cc1 ZINC000012904254 558484021 /nfs/dbraw/zinc/48/40/21/558484021.db2.gz ISGIYJMPPLDBHS-UHFFFAOYSA-N 0 0 413.421 5.241 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000012904426 569021090 /nfs/dbraw/zinc/02/10/90/569021090.db2.gz ZZFCPXGJXCYBJA-UHFFFAOYSA-N 0 0 423.321 5.598 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 ZINC000012904430 569021100 /nfs/dbraw/zinc/02/11/00/569021100.db2.gz JNXDVYKCKNZICT-UHFFFAOYSA-N 0 0 424.298 5.030 50 0 HKAARN COc1ccc(CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1F ZINC000012904481 569021074 /nfs/dbraw/zinc/02/10/74/569021074.db2.gz JRMHZRZRMVCLIS-UHFFFAOYSA-N 0 0 407.363 5.385 50 0 HKAARN Cc1oc2cc(O[C@H](C)C(=O)N(C(C)C)C(C)C)ccc2c(=O)c1-c1ccccc1 ZINC000012904749 569021150 /nfs/dbraw/zinc/02/11/50/569021150.db2.gz WGFCZMGNSDNMPT-GOSISDBHSA-N 0 0 407.510 5.181 50 0 HKAARN Cc1oc2cc(O[C@@H](C)C(=O)N(C(C)C)C(C)C)ccc2c(=O)c1-c1ccccc1 ZINC000012904752 569021134 /nfs/dbraw/zinc/02/11/34/569021134.db2.gz WGFCZMGNSDNMPT-SFHVURJKSA-N 0 0 407.510 5.181 50 0 HKAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C ZINC000012904804 569021127 /nfs/dbraw/zinc/02/11/27/569021127.db2.gz MQYMWSPDOYFKEN-UHFFFAOYSA-N 0 0 402.853 5.113 50 0 HKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000012904904 569021171 /nfs/dbraw/zinc/02/11/71/569021171.db2.gz CPQSHVJLCREDGY-CQSZACIVSA-N 0 0 410.470 5.441 50 0 HKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000012904907 569021153 /nfs/dbraw/zinc/02/11/53/569021153.db2.gz CPQSHVJLCREDGY-AWEZNQCLSA-N 0 0 410.470 5.441 50 0 HKAARN CC(C)(C)c1csc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000012905105 569020905 /nfs/dbraw/zinc/02/09/05/569020905.db2.gz NARHWLKELYMKHS-UHFFFAOYSA-N 0 0 412.412 5.037 50 0 HKAARN CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cnc21 ZINC000012905241 569020919 /nfs/dbraw/zinc/02/09/19/569020919.db2.gz LHOAZVRDSOCADK-UHFFFAOYSA-N 0 0 406.873 5.710 50 0 HKAARN Cc1ccc(NC(=O)CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000012905396 569021118 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416.182 6.024 50 0 HKAARN FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Br)cc3)c(Cl)n2c1 ZINC000012958280 569405333 /nfs/dbraw/zinc/40/53/33/569405333.db2.gz RTPLZCOMBCCMKK-UHFFFAOYSA-N 0 0 410.020 6.089 50 0 HKAARN O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(OC(F)(F)F)cc1 ZINC000012958311 569405400 /nfs/dbraw/zinc/40/54/00/569405400.db2.gz TXHUIJZMDINBPU-UHFFFAOYSA-N 0 0 418.321 5.230 50 0 HKAARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)NCc1cccs1 ZINC000012958639 569405394 /nfs/dbraw/zinc/40/53/94/569405394.db2.gz GBJZKGWNEQASJW-BJMVGYQFSA-N 0 0 418.345 5.964 50 0 HKAARN O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/COc1ccc(Cl)c(Cl)c1 ZINC000012960047 569405330 /nfs/dbraw/zinc/40/53/30/569405330.db2.gz MTIRCYAEUCIIKR-MPNRVQBSSA-N 0 0 406.309 5.730 50 0 HKAARN O=S(=O)(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccccc1 ZINC000012960079 569405371 /nfs/dbraw/zinc/40/53/71/569405371.db2.gz ONCFGSWYCVTZIH-UHFFFAOYSA-N 0 0 408.306 5.373 50 0 HKAARN c1ccc(CSc2nc3c4ccccc4sc3c(Sc3ccccc3)n2)cc1 ZINC000012960129 569405336 /nfs/dbraw/zinc/40/53/36/569405336.db2.gz MIZZMMWSABPTMZ-UHFFFAOYSA-N 0 0 416.596 7.288 50 0 HKAARN O=C(c1cccc(Br)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 ZINC000012961229 569405504 /nfs/dbraw/zinc/40/55/04/569405504.db2.gz MLKGMGCXQOVEPT-UHFFFAOYSA-N 0 0 412.674 5.203 50 0 HKAARN O=C(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012961419 569405486 /nfs/dbraw/zinc/40/54/86/569405486.db2.gz KDXHMUHPKUBUAQ-JLHYYAGUSA-N 0 0 424.447 6.738 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3sccc3-n3cccc3)nn21 ZINC000012961513 569405483 /nfs/dbraw/zinc/40/54/83/569405483.db2.gz IMVNYYMNLDQOIX-UHFFFAOYSA-N 0 0 416.453 5.996 50 0 HKAARN O=C(Cn1c2ccccc2nc1SCc1ccccc1)Nc1cccc(Cl)c1 ZINC000012968238 569291684 /nfs/dbraw/zinc/29/16/84/569291684.db2.gz KIYMOOUXCQYGFF-UHFFFAOYSA-N 0 0 407.926 5.621 50 0 HKAARN Fc1ccccc1OCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000012970597 558488618 /nfs/dbraw/zinc/48/86/18/558488618.db2.gz QEJAHKIFZJDVHI-UHFFFAOYSA-N 0 0 412.464 5.987 50 0 HKAARN Nc1c(C(=O)N2CCc3ccccc32)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000012970611 558488662 /nfs/dbraw/zinc/48/86/62/558488662.db2.gz GYQKTSQOEFAXIO-UHFFFAOYSA-N 0 0 415.518 5.220 50 0 HKAARN c1ccc(-c2c3c4c(sc3nc3c2CCCCCCCCCC3)CCCC4)cc1 ZINC000012970761 569041148 /nfs/dbraw/zinc/04/11/48/569041148.db2.gz CAAXGHVHIAVWFE-UHFFFAOYSA-N 0 0 403.635 8.062 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 ZINC000012970782 569041165 /nfs/dbraw/zinc/04/11/65/569041165.db2.gz AQZMKKQGLULGRB-LJQANCHMSA-N 0 0 403.635 7.692 50 0 HKAARN CCC(C)(C)[C@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 ZINC000012970784 569041139 /nfs/dbraw/zinc/04/11/39/569041139.db2.gz AQZMKKQGLULGRB-IBGZPJMESA-N 0 0 403.635 7.692 50 0 HKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)n1 ZINC000012970992 569041182 /nfs/dbraw/zinc/04/11/82/569041182.db2.gz LHHCSFUNHZJMNZ-UHFFFAOYSA-N 0 0 407.477 5.285 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)s1)c1cccs1 ZINC000012970996 558488824 /nfs/dbraw/zinc/48/88/24/558488824.db2.gz WNLWXRGWUTZBPG-UHFFFAOYSA-N 0 0 402.504 5.667 50 0 HKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000012971070 569041216 /nfs/dbraw/zinc/04/12/16/569041216.db2.gz YSUYXDLSKVEKAU-UHFFFAOYSA-N 0 0 403.485 6.001 50 0 HKAARN c1ccc2c(c1)nc(-c1cccnc1)nc2Sc1nnc(NC2CCCCC2)s1 ZINC000012971415 558488826 /nfs/dbraw/zinc/48/88/26/558488826.db2.gz NKYNWDSBOKXEFT-UHFFFAOYSA-N 0 0 420.567 5.439 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012971719 558489038 /nfs/dbraw/zinc/48/90/38/558489038.db2.gz UXOSKLYAHUOJCG-UHFFFAOYSA-N 0 0 414.958 5.989 50 0 HKAARN CCCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000012971921 569041368 /nfs/dbraw/zinc/04/13/68/569041368.db2.gz AHEGNEAIXCIXQL-CYBMUJFWSA-N 0 0 412.540 5.026 50 0 HKAARN CCCCc1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000012971922 569041338 /nfs/dbraw/zinc/04/13/38/569041338.db2.gz AHEGNEAIXCIXQL-ZDUSSCGKSA-N 0 0 412.540 5.026 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000012972354 558489400 /nfs/dbraw/zinc/48/94/00/558489400.db2.gz KAONMVIKPIWJBE-UHFFFAOYSA-N 0 0 402.903 5.253 50 0 HKAARN Cc1ccc(SCCNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 ZINC000012972713 569041702 /nfs/dbraw/zinc/04/17/02/569041702.db2.gz QHJTZUQKAULAFC-UHFFFAOYSA-N 0 0 402.972 5.223 50 0 HKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1 ZINC000012972986 558489800 /nfs/dbraw/zinc/48/98/00/558489800.db2.gz GHCDDJPGPFZCSG-UHFFFAOYSA-N 0 0 401.557 5.144 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(C=C(Cl)c3nc4ccccc4c(=O)[nH]3)c2)cc1 ZINC000012972996 558489749 /nfs/dbraw/zinc/48/97/49/558489749.db2.gz RTJOXMCEFBUDGX-ZHZULCJRSA-N 0 0 415.880 5.633 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)c(Br)c1 ZINC000012973238 558489758 /nfs/dbraw/zinc/48/97/58/558489758.db2.gz GTDTZFOOZISQAQ-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN Cc1ccccc1N(Cc1coc(-c2ccc(F)cc2)n1)S(=O)(=O)c1ccccc1 ZINC000012973287 558489993 /nfs/dbraw/zinc/48/99/93/558489993.db2.gz NKIIFNRRIUEMOT-UHFFFAOYSA-N 0 0 422.481 5.185 50 0 HKAARN Cc1ccc2c(C)c(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)oc2c1 ZINC000012973453 558489944 /nfs/dbraw/zinc/48/99/44/558489944.db2.gz FWKIQXMZKZKOGV-UHFFFAOYSA-N 0 0 405.538 6.228 50 0 HKAARN O=C(c1ccccc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012974091 558490197 /nfs/dbraw/zinc/49/01/97/558490197.db2.gz RNKPZVPEMFRQFN-CYBMUJFWSA-N 0 0 401.329 5.079 50 0 HKAARN O=C(c1ccccc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012974093 558490205 /nfs/dbraw/zinc/49/02/05/558490205.db2.gz RNKPZVPEMFRQFN-ZDUSSCGKSA-N 0 0 401.329 5.079 50 0 HKAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)cc1OC ZINC000012974355 558490420 /nfs/dbraw/zinc/49/04/20/558490420.db2.gz PGMJLBCOAORTEJ-UHFFFAOYSA-N 0 0 408.523 5.102 50 0 HKAARN COc1ccc(NC(=O)[C@@H](N[C@@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974411 569041930 /nfs/dbraw/zinc/04/19/30/569041930.db2.gz CZNBVKLUCXWFJV-XOBRGWDASA-N 0 0 400.931 5.441 50 0 HKAARN COc1ccc(NC(=O)[C@H](N[C@@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974413 569041973 /nfs/dbraw/zinc/04/19/73/569041973.db2.gz CZNBVKLUCXWFJV-VBKZILBWSA-N 0 0 400.931 5.441 50 0 HKAARN COc1ccc(NC(=O)[C@@H](N[C@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974415 569042049 /nfs/dbraw/zinc/04/20/49/569042049.db2.gz CZNBVKLUCXWFJV-VLIAUNLRSA-N 0 0 400.931 5.441 50 0 HKAARN COc1ccc(NC(=O)[C@H](N[C@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974416 569041992 /nfs/dbraw/zinc/04/19/92/569041992.db2.gz CZNBVKLUCXWFJV-JLTOFOAXSA-N 0 0 400.931 5.441 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)O[C@H](C)C2 ZINC000012974570 558490618 /nfs/dbraw/zinc/49/06/18/558490618.db2.gz SRLPBVPSTQKQJY-SNVBAGLBSA-N 0 0 410.695 5.077 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)O[C@@H](C)C2 ZINC000012974571 558490632 /nfs/dbraw/zinc/49/06/32/558490632.db2.gz SRLPBVPSTQKQJY-JTQLQIEISA-N 0 0 410.695 5.077 50 0 HKAARN Cc1nc(COc2cccc(C(=O)Nc3ccc(C)cc3Br)c2)cs1 ZINC000012974834 558490586 /nfs/dbraw/zinc/49/05/86/558490586.db2.gz FCTIFXLKRVKVDS-UHFFFAOYSA-N 0 0 417.328 5.354 50 0 HKAARN Cc1nc(COc2cccc(C(=O)Nc3cccc(Br)c3)c2)cs1 ZINC000012974841 558490633 /nfs/dbraw/zinc/49/06/33/558490633.db2.gz RSJUGDPRFAVLMZ-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000012975002 569041863 /nfs/dbraw/zinc/04/18/63/569041863.db2.gz JYFOICHMQOVKRV-UHFFFAOYSA-N 0 0 400.931 5.753 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 ZINC000012975030 558490831 /nfs/dbraw/zinc/49/08/31/558490831.db2.gz PUJKSESSVYOHRV-UHFFFAOYSA-N 0 0 400.887 5.139 50 0 HKAARN CC(=O)N(c1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1)C1CC1 ZINC000012975530 558491233 /nfs/dbraw/zinc/49/12/33/558491233.db2.gz XGZPDTBIXGHFHM-SFHVURJKSA-N 0 0 415.971 5.589 50 0 HKAARN CC(=O)N(c1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)s1)C1CC1 ZINC000012975532 558491249 /nfs/dbraw/zinc/49/12/49/558491249.db2.gz XGZPDTBIXGHFHM-GOSISDBHSA-N 0 0 415.971 5.589 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)O[C@H](C)C2 ZINC000012975558 558491183 /nfs/dbraw/zinc/49/11/83/558491183.db2.gz KPVNTTGIMOUGRT-CYBMUJFWSA-N 0 0 419.905 5.110 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)O[C@@H](C)C2 ZINC000012975560 558491224 /nfs/dbraw/zinc/49/12/24/558491224.db2.gz KPVNTTGIMOUGRT-ZDUSSCGKSA-N 0 0 419.905 5.110 50 0 HKAARN COc1ccc2c(C)c(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)oc2c1 ZINC000012975579 558491202 /nfs/dbraw/zinc/49/12/02/558491202.db2.gz OBUQXOFLGGEFSX-UHFFFAOYSA-N 0 0 421.537 5.928 50 0 HKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1coc(-c2ccccc2)n1 ZINC000012975803 558491214 /nfs/dbraw/zinc/49/12/14/558491214.db2.gz ULAPZZWJOAOXAW-UHFFFAOYSA-N 0 0 409.507 5.406 50 0 HKAARN CSc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000012976097 558491632 /nfs/dbraw/zinc/49/16/32/558491632.db2.gz NMOIZZGXJGJPOF-HXUWFJFHSA-N 0 0 400.594 5.118 50 0 HKAARN CSc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000012976099 558491619 /nfs/dbraw/zinc/49/16/19/558491619.db2.gz NMOIZZGXJGJPOF-FQEVSTJZSA-N 0 0 400.594 5.118 50 0 HKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)NC4CCCC4)cc3c2C1 ZINC000012976493 558491818 /nfs/dbraw/zinc/49/18/18/558491818.db2.gz DDJAHAGTJPKANO-MRXNPFEDSA-N 0 0 415.537 5.217 50 0 HKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)NC4CCCC4)cc3c2C1 ZINC000012976495 558491836 /nfs/dbraw/zinc/49/18/36/558491836.db2.gz DDJAHAGTJPKANO-INIZCTEOSA-N 0 0 415.537 5.217 50 0 HKAARN Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000012976528 558491788 /nfs/dbraw/zinc/49/17/88/558491788.db2.gz YCYJEHYSLWMVDB-FQEVSTJZSA-N 0 0 421.566 5.423 50 0 HKAARN Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@H]1CCCO1 ZINC000012976530 558491816 /nfs/dbraw/zinc/49/18/16/558491816.db2.gz YCYJEHYSLWMVDB-HXUWFJFHSA-N 0 0 421.566 5.423 50 0 HKAARN CCOc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC ZINC000012976791 558491822 /nfs/dbraw/zinc/49/18/22/558491822.db2.gz CSIYBTMTRODHIB-LBPRGKRZSA-N 0 0 404.919 5.190 50 0 HKAARN CCOc1c(Cl)cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC ZINC000012976793 558491785 /nfs/dbraw/zinc/49/17/85/558491785.db2.gz CSIYBTMTRODHIB-GFCCVEGCSA-N 0 0 404.919 5.190 50 0 HKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1ccc(F)cc1 ZINC000012976959 558491912 /nfs/dbraw/zinc/49/19/12/558491912.db2.gz VGCVPYAWWJUOCM-UHFFFAOYSA-N 0 0 402.263 5.049 50 0 HKAARN COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3ccccc3Cl)cs2)cc1 ZINC000012977376 558492254 /nfs/dbraw/zinc/49/22/54/558492254.db2.gz MMEJGDASEUVNJV-ZDUSSCGKSA-N 0 0 418.971 5.733 50 0 HKAARN COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3ccccc3Cl)cs2)cc1 ZINC000012977378 558492271 /nfs/dbraw/zinc/49/22/71/558492271.db2.gz MMEJGDASEUVNJV-CYBMUJFWSA-N 0 0 418.971 5.733 50 0 HKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012978227 569405790 /nfs/dbraw/zinc/40/57/90/569405790.db2.gz HZXJOVVGHRQDGI-UHFFFAOYSA-N 0 0 404.558 5.135 50 0 HKAARN CC(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccsc3)CC2)C(C)C)cc1 ZINC000012978420 569405880 /nfs/dbraw/zinc/40/58/80/569405880.db2.gz LHWABEWKQITTOE-JOCHJYFZSA-N 0 0 412.599 5.237 50 0 HKAARN CC(C)c1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccsc3)CC2)C(C)C)cc1 ZINC000012978422 569405806 /nfs/dbraw/zinc/40/58/06/569405806.db2.gz LHWABEWKQITTOE-QFIPXVFZSA-N 0 0 412.599 5.237 50 0 HKAARN COc1ccccc1N(C(C)=O)c1nc(COc2cc(C)ccc2Cl)cs1 ZINC000012978453 558492585 /nfs/dbraw/zinc/49/25/85/558492585.db2.gz BXDLINDSXNOABW-UHFFFAOYSA-N 0 0 402.903 5.377 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1C(F)(F)F ZINC000012978506 558492607 /nfs/dbraw/zinc/49/26/07/558492607.db2.gz GMQGMPRKMOWQCC-UHFFFAOYSA-N 0 0 416.321 5.325 50 0 HKAARN O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000012978815 569042593 /nfs/dbraw/zinc/04/25/93/569042593.db2.gz WLMVOTMKOFTIQY-UHFFFAOYSA-N 0 0 412.824 5.022 50 0 HKAARN COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1 ZINC000012979009 569405883 /nfs/dbraw/zinc/40/58/83/569405883.db2.gz ZKDZXFWJJYPLCN-UHFFFAOYSA-N 0 0 406.463 5.340 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc3ccccc3nc2Cl)o1 ZINC000012979048 558492712 /nfs/dbraw/zinc/49/27/12/558492712.db2.gz AIZMLOLVGFNZLO-GFCCVEGCSA-N 0 0 415.877 5.843 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc3ccccc3nc2Cl)o1 ZINC000012979050 558492747 /nfs/dbraw/zinc/49/27/47/558492747.db2.gz AIZMLOLVGFNZLO-LBPRGKRZSA-N 0 0 415.877 5.843 50 0 HKAARN O=C(c1cc(F)ccc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012979361 558492960 /nfs/dbraw/zinc/49/29/60/558492960.db2.gz ZYGMISPMUFKBPS-GFCCVEGCSA-N 0 0 419.319 5.218 50 0 HKAARN O=C(c1cc(F)ccc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012979363 558492913 /nfs/dbraw/zinc/49/29/13/558492913.db2.gz ZYGMISPMUFKBPS-LBPRGKRZSA-N 0 0 419.319 5.218 50 0 HKAARN O=C(c1ccc(F)cc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012979365 569042625 /nfs/dbraw/zinc/04/26/25/569042625.db2.gz FYSPNEHRELGIHG-GFCCVEGCSA-N 0 0 419.319 5.218 50 0 HKAARN O=C(c1ccc(F)cc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012979367 569042627 /nfs/dbraw/zinc/04/26/27/569042627.db2.gz FYSPNEHRELGIHG-LBPRGKRZSA-N 0 0 419.319 5.218 50 0 HKAARN 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COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995013 569406141 /nfs/dbraw/zinc/40/61/41/569406141.db2.gz JKSPXAQUTHYZPM-IBGZPJMESA-N 0 0 407.341 5.558 50 0 HKAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012995015 569406213 /nfs/dbraw/zinc/40/62/13/569406213.db2.gz JKSPXAQUTHYZPM-LJQANCHMSA-N 0 0 407.341 5.558 50 0 HKAARN O=C(COc1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012995363 558498331 /nfs/dbraw/zinc/49/83/31/558498331.db2.gz VILMKSSFBGPGCH-UHFFFAOYSA-N 0 0 421.349 5.388 50 0 HKAARN COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000012995429 558498456 /nfs/dbraw/zinc/49/84/56/558498456.db2.gz IHBZNHYYRPOFGG-SFHVURJKSA-N 0 0 419.521 5.081 50 0 HKAARN COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000012995430 558498340 /nfs/dbraw/zinc/49/83/40/558498340.db2.gz IHBZNHYYRPOFGG-GOSISDBHSA-N 0 0 419.521 5.081 50 0 HKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1ccc(NC(C)=O)cc1 ZINC000012995437 558498434 /nfs/dbraw/zinc/49/84/34/558498434.db2.gz GISWUONDRPPXDV-UHFFFAOYSA-N 0 0 403.500 5.468 50 0 HKAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1ncn(-c2ccccc2)n1 ZINC000012995449 558498364 /nfs/dbraw/zinc/49/83/64/558498364.db2.gz FLLNQAGRGGGFLI-UHFFFAOYSA-N 0 0 413.499 5.090 50 0 HKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)s1 ZINC000012995454 569406136 /nfs/dbraw/zinc/40/61/36/569406136.db2.gz GSJNHFBDXHELFN-UHFFFAOYSA-N 0 0 412.574 5.523 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012995621 558498638 /nfs/dbraw/zinc/49/86/38/558498638.db2.gz ZDYKZNMBDHJWJO-UHFFFAOYSA-N 0 0 422.428 5.193 50 0 HKAARN Cc1nc(COc2cccc(C(=O)Nc3ccc(Br)cc3C)c2)cs1 ZINC000012995711 558498531 /nfs/dbraw/zinc/49/85/31/558498531.db2.gz BVTFCAAQTYMPJH-UHFFFAOYSA-N 0 0 417.328 5.354 50 0 HKAARN COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)ccc1C ZINC000012995715 558498552 /nfs/dbraw/zinc/49/85/52/558498552.db2.gz SPFIUNPWEXPTLC-UHFFFAOYSA-N 0 0 400.931 5.287 50 0 HKAARN C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000012996999 558498859 /nfs/dbraw/zinc/49/88/59/558498859.db2.gz GOARCYNOWLJIRA-CQSZACIVSA-N 0 0 420.340 5.115 50 0 HKAARN C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000012997002 558498816 /nfs/dbraw/zinc/49/88/16/558498816.db2.gz GOARCYNOWLJIRA-AWEZNQCLSA-N 0 0 420.340 5.115 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000012997200 569406283 /nfs/dbraw/zinc/40/62/83/569406283.db2.gz WBXMVVABPKAVGT-UHFFFAOYSA-N 0 0 424.614 5.458 50 0 HKAARN O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012997228 569406264 /nfs/dbraw/zinc/40/62/64/569406264.db2.gz HLEIHLKUWKUZRN-LPQFERQCSA-N 0 0 400.450 5.275 50 0 HKAARN O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012997230 569406280 /nfs/dbraw/zinc/40/62/80/569406280.db2.gz HLEIHLKUWKUZRN-PCUGXKRQSA-N 0 0 400.450 5.275 50 0 HKAARN C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997755 558499227 /nfs/dbraw/zinc/49/92/27/558499227.db2.gz YSICBWWJFYXXHP-CQSZACIVSA-N 0 0 409.942 5.498 50 0 HKAARN C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997757 558499204 /nfs/dbraw/zinc/49/92/04/558499204.db2.gz YSICBWWJFYXXHP-AWEZNQCLSA-N 0 0 409.942 5.498 50 0 HKAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cs2)cc1 ZINC000012997833 558499292 /nfs/dbraw/zinc/49/92/92/558499292.db2.gz OBXFAAVEIJTMRE-UHFFFAOYSA-N 0 0 419.550 5.422 50 0 HKAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 ZINC000012998297 558499403 /nfs/dbraw/zinc/49/94/03/558499403.db2.gz KQCZPVQDSZKRRJ-UHFFFAOYSA-N 0 0 421.566 5.008 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)cc2)cs1 ZINC000012998303 569406459 /nfs/dbraw/zinc/40/64/59/569406459.db2.gz REBOABBUGLKYTQ-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1I ZINC000012998586 558499470 /nfs/dbraw/zinc/49/94/70/558499470.db2.gz NOIIXMFGSCYQBX-UHFFFAOYSA-N 0 0 411.242 5.115 50 0 HKAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(Cl)cc1Cl ZINC000012998831 558499593 /nfs/dbraw/zinc/49/95/93/558499593.db2.gz IQINNJNEUZXTNS-LJQANCHMSA-N 0 0 423.390 5.703 50 0 HKAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(Cl)cc1Cl ZINC000012998833 558499597 /nfs/dbraw/zinc/49/95/97/558499597.db2.gz IQINNJNEUZXTNS-IBGZPJMESA-N 0 0 423.390 5.703 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 ZINC000012998930 558499648 /nfs/dbraw/zinc/49/96/48/558499648.db2.gz CCKUQYGWPTUKMK-CYBMUJFWSA-N 0 0 417.966 5.902 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 ZINC000012998932 558499581 /nfs/dbraw/zinc/49/95/81/558499581.db2.gz CCKUQYGWPTUKMK-ZDUSSCGKSA-N 0 0 417.966 5.902 50 0 HKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012999363 558499834 /nfs/dbraw/zinc/49/98/34/558499834.db2.gz OVKBUZPBTOFPEA-UHFFFAOYSA-N 0 0 409.458 5.507 50 0 HKAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000012999369 558499877 /nfs/dbraw/zinc/49/98/77/558499877.db2.gz JGSABUWOBSPGJP-UHFFFAOYSA-N 0 0 407.417 5.346 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012999399 558499865 /nfs/dbraw/zinc/49/98/65/558499865.db2.gz RDRCQKKAPVPMEJ-UHFFFAOYSA-N 0 0 403.526 5.197 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 ZINC000012999419 569049102 /nfs/dbraw/zinc/04/91/02/569049102.db2.gz CVXKTHZWVMUIGW-UHFFFAOYSA-N 0 0 409.283 5.274 50 0 HKAARN O=C(CCCc1ccc(Br)s1)Nc1ccc(-c2nccs2)cc1 ZINC000012999804 558499827 /nfs/dbraw/zinc/49/98/27/558499827.db2.gz IENJKIKDPQVCCY-UHFFFAOYSA-N 0 0 407.358 5.596 50 0 HKAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000013000815 558500289 /nfs/dbraw/zinc/50/02/89/558500289.db2.gz HLQOUGGBIUCCIK-NSHDSACASA-N 0 0 421.444 5.277 50 0 HKAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000013000817 558500318 /nfs/dbraw/zinc/50/03/18/558500318.db2.gz HLQOUGGBIUCCIK-LLVKDONJSA-N 0 0 421.444 5.277 50 0 HKAARN Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000013000911 569049466 /nfs/dbraw/zinc/04/94/66/569049466.db2.gz QGAXLNGGKFMKGN-UHFFFAOYSA-N 0 0 422.558 5.184 50 0 HKAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000013001064 569049506 /nfs/dbraw/zinc/04/95/06/569049506.db2.gz VKEONZDWMBRAKL-UHFFFAOYSA-N 0 0 416.521 5.065 50 0 HKAARN O=C(Cc1ccc(Br)cc1)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000013001598 558500646 /nfs/dbraw/zinc/50/06/46/558500646.db2.gz PTKKYVNNHRVYPT-UHFFFAOYSA-N 0 0 406.663 5.043 50 0 HKAARN Cc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c21 ZINC000013001650 558500580 /nfs/dbraw/zinc/50/05/80/558500580.db2.gz SQMFHYGMHHFKEV-UHFFFAOYSA-N 0 0 404.469 6.283 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(Br)c2)cs1 ZINC000013001715 558500654 /nfs/dbraw/zinc/50/06/54/558500654.db2.gz CDFYRERIBYZUKP-UHFFFAOYSA-N 0 0 403.301 5.045 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000013001965 558500629 /nfs/dbraw/zinc/50/06/29/558500629.db2.gz ZHBVGXSILONOBD-UHFFFAOYSA-N 0 0 423.494 5.146 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002082 558500918 /nfs/dbraw/zinc/50/09/18/558500918.db2.gz FJXRYBZFXRTYDF-FQEVSTJZSA-N 0 0 417.347 5.014 50 0 HKAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2Br)cc1 ZINC000013002084 558500909 /nfs/dbraw/zinc/50/09/09/558500909.db2.gz FJXRYBZFXRTYDF-HXUWFJFHSA-N 0 0 417.347 5.014 50 0 HKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000013002263 569049229 /nfs/dbraw/zinc/04/92/29/569049229.db2.gz PWDJOKBRFCVNRV-UHFFFAOYSA-N 0 0 414.505 5.732 50 0 HKAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(-c2nccs2)cc1 ZINC000013002370 558500957 /nfs/dbraw/zinc/50/09/57/558500957.db2.gz GXNQEGADMSQTOV-UHFFFAOYSA-N 0 0 423.719 5.244 50 0 HKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000013002814 569406492 /nfs/dbraw/zinc/40/64/92/569406492.db2.gz CJFGTZAJGXHBOT-UHFFFAOYSA-N 0 0 419.352 5.752 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 ZINC000013003257 569049317 /nfs/dbraw/zinc/04/93/17/569049317.db2.gz MKUVCSYEFMLGCW-OAHLLOKOSA-N 0 0 423.517 5.321 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 ZINC000013003259 569049272 /nfs/dbraw/zinc/04/92/72/569049272.db2.gz MKUVCSYEFMLGCW-HNNXBMFYSA-N 0 0 423.517 5.321 50 0 HKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000013003332 558501274 /nfs/dbraw/zinc/50/12/74/558501274.db2.gz DDIAVQXQSUSWCC-UHFFFAOYSA-N 0 0 423.866 5.243 50 0 HKAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000013003696 569049357 /nfs/dbraw/zinc/04/93/57/569049357.db2.gz ZPNROMITAOUJLB-UHFFFAOYSA-N 0 0 419.893 5.482 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000013003757 558501577 /nfs/dbraw/zinc/50/15/77/558501577.db2.gz KWZZZJKKYQZDSR-QHCPKHFHSA-N 0 0 424.447 5.162 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000013003758 558501488 /nfs/dbraw/zinc/50/14/88/558501488.db2.gz KWZZZJKKYQZDSR-HSZRJFAPSA-N 0 0 424.447 5.162 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2Br)cc1 ZINC000013003823 569049361 /nfs/dbraw/zinc/04/93/61/569049361.db2.gz HRBICXKURHDANO-CQSZACIVSA-N 0 0 412.283 5.211 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2Br)cc1 ZINC000013003825 569049350 /nfs/dbraw/zinc/04/93/50/569049350.db2.gz HRBICXKURHDANO-AWEZNQCLSA-N 0 0 412.283 5.211 50 0 HKAARN Cc1cc(C)c(NC(=O)CNC(=O)c2sc3cccc(C)c3c2Cl)c(C)c1 ZINC000013003840 569406494 /nfs/dbraw/zinc/40/64/94/569406494.db2.gz YGEYAGKRSWDEPY-UHFFFAOYSA-N 0 0 400.931 5.157 50 0 HKAARN CC(=O)N(c1nc(COc2c(Cl)cccc2Cl)cs1)c1cccc(C)c1C ZINC000013004100 558501523 /nfs/dbraw/zinc/50/15/23/558501523.db2.gz QLQKEWKYMPQESA-UHFFFAOYSA-N 0 0 421.349 6.330 50 0 HKAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000013004359 558501527 /nfs/dbraw/zinc/50/15/27/558501527.db2.gz OPYVNEBRCQBLSO-UHFFFAOYSA-N 0 0 413.399 5.531 50 0 HKAARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 ZINC000013004525 558501800 /nfs/dbraw/zinc/50/18/00/558501800.db2.gz MAVBPGVCGIFSCE-UHFFFAOYSA-N 0 0 401.871 5.264 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC(C)C)C3CC3)cc12 ZINC000013004644 558501811 /nfs/dbraw/zinc/50/18/11/558501811.db2.gz ZGUDOFNQHYQLCI-UHFFFAOYSA-N 0 0 401.963 5.369 50 0 HKAARN O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000013004856 558501853 /nfs/dbraw/zinc/50/18/53/558501853.db2.gz MPQLZJFXBSWJKW-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013005394 569049591 /nfs/dbraw/zinc/04/95/91/569049591.db2.gz KSNHHFCYNZTVFT-UHFFFAOYSA-N 0 0 407.417 5.250 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2c1nc1n2CCCCC1 ZINC000013005480 558501817 /nfs/dbraw/zinc/50/18/17/558501817.db2.gz REYJVJNSELATNF-UHFFFAOYSA-N 0 0 402.542 5.412 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1F ZINC000013005607 558501808 /nfs/dbraw/zinc/50/18/08/558501808.db2.gz MFLWEKHMKSKGME-UHFFFAOYSA-N 0 0 419.287 5.370 50 0 HKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N(C)Cc1cccc(Cl)c1 ZINC000013006081 569049679 /nfs/dbraw/zinc/04/96/79/569049679.db2.gz XLYWCNROHWJCDK-UHFFFAOYSA-N 0 0 410.930 5.105 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCC(=O)c1ccc(Br)cc1 ZINC000013006099 558502037 /nfs/dbraw/zinc/50/20/37/558502037.db2.gz PVZDMVGIBPUDJE-UHFFFAOYSA-N 0 0 418.331 5.357 50 0 HKAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(C)cc1 ZINC000013006680 569049738 /nfs/dbraw/zinc/04/97/38/569049738.db2.gz ZALDENOCLSAFJV-QFIPXVFZSA-N 0 0 413.477 5.009 50 0 HKAARN CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(C)cc1 ZINC000013006682 569049711 /nfs/dbraw/zinc/04/97/11/569049711.db2.gz ZALDENOCLSAFJV-JOCHJYFZSA-N 0 0 413.477 5.009 50 0 HKAARN CC(C)c1ccc(CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C2CC2)cc1 ZINC000013006928 569049723 /nfs/dbraw/zinc/04/97/23/569049723.db2.gz ZJRYQAAVFDINKN-UHFFFAOYSA-N 0 0 406.501 5.728 50 0 HKAARN COCc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)sc2cccc(F)c21 ZINC000013006955 558502407 /nfs/dbraw/zinc/50/24/07/558502407.db2.gz BEHLWPTUPJRFBE-UHFFFAOYSA-N 0 0 412.313 5.766 50 0 HKAARN O=C(c1cnccn1)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000013007027 569049749 /nfs/dbraw/zinc/04/97/49/569049749.db2.gz BNMGVZSVXWYKKF-UHFFFAOYSA-N 0 0 414.462 5.380 50 0 HKAARN CCOc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OCC ZINC000013007146 569049787 /nfs/dbraw/zinc/04/97/87/569049787.db2.gz LAYUCCBPKNGLCQ-OAQYLSRUSA-N 0 0 413.564 5.395 50 0 HKAARN CCOc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OCC ZINC000013007147 569049755 /nfs/dbraw/zinc/04/97/55/569049755.db2.gz LAYUCCBPKNGLCQ-NRFANRHFSA-N 0 0 413.564 5.395 50 0 HKAARN O=C(Nc1cccc2ncccc21)c1cc(Br)c(Br)s1 ZINC000013007249 569049809 /nfs/dbraw/zinc/04/98/09/569049809.db2.gz SXWUDOJIVSESDL-UHFFFAOYSA-N 0 0 412.106 5.074 50 0 HKAARN O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(O)c(CCCl)c1 ZINC000013007425 569406634 /nfs/dbraw/zinc/40/66/34/569406634.db2.gz BVERFNXXWQPKEM-SOFGYWHQSA-N 0 0 404.318 5.847 50 0 HKAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)s1 ZINC000013007897 569049873 /nfs/dbraw/zinc/04/98/73/569049873.db2.gz 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ZINC000013008895 569049898 /nfs/dbraw/zinc/04/98/98/569049898.db2.gz QBEISPFSVKFZAC-HNNXBMFYSA-N 0 0 403.511 5.565 50 0 HKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1SCC(F)(F)F ZINC000013008924 569049889 /nfs/dbraw/zinc/04/98/89/569049889.db2.gz HOMLPEOJSODCFL-UHFFFAOYSA-N 0 0 414.499 5.707 50 0 HKAARN COc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1OC(F)F ZINC000013009030 569049942 /nfs/dbraw/zinc/04/99/42/569049942.db2.gz LUBDPKPOOZATOM-FQEVSTJZSA-N 0 0 415.461 5.146 50 0 HKAARN COc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1OC(F)F ZINC000013009032 569049922 /nfs/dbraw/zinc/04/99/22/569049922.db2.gz LUBDPKPOOZATOM-HXUWFJFHSA-N 0 0 415.461 5.146 50 0 HKAARN CCCc1noc([C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 ZINC000013009073 558502698 /nfs/dbraw/zinc/50/26/98/558502698.db2.gz VGMAQVQFOSBLSN-OAHLLOKOSA-N 0 0 423.517 5.321 50 0 HKAARN CCCc1noc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 ZINC000013009074 558502803 /nfs/dbraw/zinc/50/28/03/558502803.db2.gz VGMAQVQFOSBLSN-HNNXBMFYSA-N 0 0 423.517 5.321 50 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/nfs/dbraw/zinc/50/29/96/558502996.db2.gz FJIVOKQYVDIHGE-AWEZNQCLSA-N 0 0 411.556 5.244 50 0 HKAARN CCOc1ccc(CN(CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000013010117 558502975 /nfs/dbraw/zinc/50/29/75/558502975.db2.gz QDTDMYHKMXOZSQ-UHFFFAOYSA-N 0 0 414.933 5.326 50 0 HKAARN C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013010644 558502971 /nfs/dbraw/zinc/50/29/71/558502971.db2.gz WTNVOYUFTREGDF-LLVKDONJSA-N 0 0 410.392 5.619 50 0 HKAARN C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013010646 558502938 /nfs/dbraw/zinc/50/29/38/558502938.db2.gz WTNVOYUFTREGDF-NSHDSACASA-N 0 0 410.392 5.619 50 0 HKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc3c4c([nH]c32)CCCCC4)c1 ZINC000013011554 558503204 /nfs/dbraw/zinc/50/32/04/558503204.db2.gz JGEJUHOSHBHLCM-UHFFFAOYSA-N 0 0 403.526 5.171 50 0 HKAARN COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000013011590 569050411 /nfs/dbraw/zinc/05/04/11/569050411.db2.gz NHVLRRFAMQXEJP-UHFFFAOYSA-N 0 0 409.795 5.114 50 0 HKAARN Cc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000013011786 558503208 /nfs/dbraw/zinc/50/32/08/558503208.db2.gz UKIRLNKCTZOVFO-UHFFFAOYSA-N 0 0 422.554 5.422 50 0 HKAARN O=C(Nc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1)c1ccccc1 ZINC000013011965 558503161 /nfs/dbraw/zinc/50/31/61/558503161.db2.gz IWRLOOCNBXLNAB-UHFFFAOYSA-N 0 0 414.383 5.132 50 0 HKAARN Cc1ccc(-c2noc(CSCCCC(=O)Nc3c(C)cccc3C)n2)cc1F ZINC000013012183 558503466 /nfs/dbraw/zinc/50/34/66/558503466.db2.gz PTZFAQVHOHFXMQ-UHFFFAOYSA-N 0 0 413.518 5.453 50 0 HKAARN C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1Cl ZINC000013012193 569050575 /nfs/dbraw/zinc/05/05/75/569050575.db2.gz XZTJVQWJEHBAJN-CYBMUJFWSA-N 0 0 421.349 5.587 50 0 HKAARN C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1Cl ZINC000013012194 569050538 /nfs/dbraw/zinc/05/05/38/569050538.db2.gz XZTJVQWJEHBAJN-ZDUSSCGKSA-N 0 0 421.349 5.587 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)SCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013012328 569050627 /nfs/dbraw/zinc/05/06/27/569050627.db2.gz JGHKYIYURWADSF-LLVKDONJSA-N 0 0 400.327 5.271 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)SCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013012329 569050607 /nfs/dbraw/zinc/05/06/07/569050607.db2.gz JGHKYIYURWADSF-NSHDSACASA-N 0 0 400.327 5.271 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccc(C)cc2)n1 ZINC000013012567 569407304 /nfs/dbraw/zinc/40/73/04/569407304.db2.gz YGMOKFVAHDTELR-UHFFFAOYSA-N 0 0 418.971 5.652 50 0 HKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000013012851 569050632 /nfs/dbraw/zinc/05/06/32/569050632.db2.gz QXTKFYGMXXFORJ-UHFFFAOYSA-N 0 0 400.478 5.155 50 0 HKAARN CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1cc(C)nc(C)n1 ZINC000013013025 569050653 /nfs/dbraw/zinc/05/06/53/569050653.db2.gz VHJCVZRUQFLVOW-UHFFFAOYSA-N 0 0 417.966 5.430 50 0 HKAARN Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1C ZINC000013014299 569050969 /nfs/dbraw/zinc/05/09/69/569050969.db2.gz SZNXDEKERGEWEU-MRXNPFEDSA-N 0 0 420.538 5.362 50 0 HKAARN Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1C ZINC000013014302 569050946 /nfs/dbraw/zinc/05/09/46/569050946.db2.gz SZNXDEKERGEWEU-INIZCTEOSA-N 0 0 420.538 5.362 50 0 HKAARN O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccccc1Oc1ccccc1Cl ZINC000013014536 558503915 /nfs/dbraw/zinc/50/39/15/558503915.db2.gz DJGWGETULGJVQO-UHFFFAOYSA-N 0 0 422.868 5.035 50 0 HKAARN Cc1csc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)n1 ZINC000013014544 558503856 /nfs/dbraw/zinc/50/38/56/558503856.db2.gz PXVWXMUFKQJMBK-UHFFFAOYSA-N 0 0 422.457 5.431 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(Cl)ccc1Cl ZINC000013014631 569407274 /nfs/dbraw/zinc/40/72/74/569407274.db2.gz YIMRLABZKZMQMJ-UHFFFAOYSA-N 0 0 418.132 6.676 50 0 HKAARN COc1ccc2c(c1)nc(SCC(=O)NCc1cccs1)cc2-c1ccccc1 ZINC000013015078 558503844 /nfs/dbraw/zinc/50/38/44/558503844.db2.gz HYWWDQSTEMDACL-UHFFFAOYSA-N 0 0 420.559 5.380 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)SCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013015260 569050818 /nfs/dbraw/zinc/05/08/18/569050818.db2.gz VZBRVCUVGDJUBZ-CYBMUJFWSA-N 0 0 402.903 5.264 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)SCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013015263 569050795 /nfs/dbraw/zinc/05/07/95/569050795.db2.gz VZBRVCUVGDJUBZ-ZDUSSCGKSA-N 0 0 402.903 5.264 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)c4c3C(=O)C[C@@H]4C)cc2)cc1 ZINC000013015429 558503912 /nfs/dbraw/zinc/50/39/12/558503912.db2.gz ILZBQTDKZDVRFK-HNNXBMFYSA-N 0 0 419.452 5.356 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)c4c3C(=O)C[C@H]4C)cc2)cc1 ZINC000013015431 558503859 /nfs/dbraw/zinc/50/38/59/558503859.db2.gz ILZBQTDKZDVRFK-OAHLLOKOSA-N 0 0 419.452 5.356 50 0 HKAARN CCc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)s1 ZINC000013015591 569407309 /nfs/dbraw/zinc/40/73/09/569407309.db2.gz TWIJSKPYGIGJPQ-GOOCMWNKSA-N 0 0 410.626 5.039 50 0 HKAARN CC(C)(C)c1ccc(Oc2cc(Br)c(Cl)c(Br)c2)cc1 ZINC000013015850 569407443 /nfs/dbraw/zinc/40/74/43/569407443.db2.gz YQJWSXNLTNCDLU-UHFFFAOYSA-N 0 0 418.556 6.955 50 0 HKAARN O=C(OCCC(F)(F)F)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013015862 558504024 /nfs/dbraw/zinc/50/40/24/558504024.db2.gz OKUJFWMDAXCCIY-UHFFFAOYSA-N 0 0 424.216 5.774 50 0 HKAARN C[C@@H](Sc1nc2ccccc2o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000013016821 558504044 /nfs/dbraw/zinc/50/40/44/558504044.db2.gz AFTYPRXUUGWBHZ-OAHLLOKOSA-N 0 0 419.937 6.733 50 0 HKAARN C[C@H](Sc1nc2ccccc2o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000013016824 558504258 /nfs/dbraw/zinc/50/42/58/558504258.db2.gz AFTYPRXUUGWBHZ-HNNXBMFYSA-N 0 0 419.937 6.733 50 0 HKAARN CC(C)[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 ZINC000013017421 558504147 /nfs/dbraw/zinc/50/41/47/558504147.db2.gz NICQDWNUUOJVOJ-LJQANCHMSA-N 0 0 419.905 5.592 50 0 HKAARN CC(C)[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 ZINC000013017424 558504261 /nfs/dbraw/zinc/50/42/61/558504261.db2.gz NICQDWNUUOJVOJ-IBGZPJMESA-N 0 0 419.905 5.592 50 0 HKAARN Clc1ccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c(Cl)c1 ZINC000013017757 558504246 /nfs/dbraw/zinc/50/42/46/558504246.db2.gz AKDHPSMKSUORSR-RMKNXTFCSA-N 0 0 409.316 6.636 50 0 HKAARN Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)c(Cl)c1 ZINC000013017768 558504278 /nfs/dbraw/zinc/50/42/78/558504278.db2.gz YHVZGCWTZKLEJW-UHFFFAOYSA-N 0 0 403.353 6.893 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Oc1ccccc1 ZINC000013017776 558504230 /nfs/dbraw/zinc/50/42/30/558504230.db2.gz UZFRJMZPPZOOHR-UHFFFAOYSA-N 0 0 424.382 5.331 50 0 HKAARN CSc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1 ZINC000013017917 558504273 /nfs/dbraw/zinc/50/42/73/558504273.db2.gz ABCQEOKKINRPIA-UHFFFAOYSA-N 0 0 423.585 5.255 50 0 HKAARN O=C(CSc1cccc2cccc(Cl)c21)NCCc1ccc(OC(F)F)cc1 ZINC000013018032 569407381 /nfs/dbraw/zinc/40/73/81/569407381.db2.gz DOQKMRSGENUPJK-UHFFFAOYSA-N 0 0 421.896 5.546 50 0 HKAARN Cc1csc(N(C(=O)COc2ccc(Br)cc2F)c2ccccc2)n1 ZINC000013018038 558504200 /nfs/dbraw/zinc/50/42/00/558504200.db2.gz YRKQYPPWBLKWDX-UHFFFAOYSA-N 0 0 421.291 5.097 50 0 HKAARN Cc1ccccc1N(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccccc1 ZINC000013018065 569051000 /nfs/dbraw/zinc/05/10/00/569051000.db2.gz FHKRWLYHMDZMDL-UHFFFAOYSA-N 0 0 404.491 5.046 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CS[C@H](C)C(=O)Nc1c(Cl)cccc1Cl ZINC000013018193 569407394 /nfs/dbraw/zinc/40/73/94/569407394.db2.gz BXKWBDPBKHWMSX-CYBMUJFWSA-N 0 0 421.349 6.217 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CS[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl ZINC000013018196 569407397 /nfs/dbraw/zinc/40/73/97/569407397.db2.gz BXKWBDPBKHWMSX-ZDUSSCGKSA-N 0 0 421.349 6.217 50 0 HKAARN O=C(OCc1nc2ccccc2s1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013018266 558504429 /nfs/dbraw/zinc/50/44/29/558504429.db2.gz RVYHJBNVVDSMKR-GOOCMWNKSA-N 0 0 405.610 5.342 50 0 HKAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000013018296 558504423 /nfs/dbraw/zinc/50/44/23/558504423.db2.gz YPIYMOKJEQPGCW-NRFANRHFSA-N 0 0 420.925 5.393 50 0 HKAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000013018299 558504395 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CCOc1ccccc1-c1noc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000013020849 569051158 /nfs/dbraw/zinc/05/11/58/569051158.db2.gz GRAJOKUPJJRXFY-INIZCTEOSA-N 0 0 411.527 5.013 50 0 HKAARN CCOc1ccccc1-c1noc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000013020851 569051170 /nfs/dbraw/zinc/05/11/70/569051170.db2.gz GRAJOKUPJJRXFY-MRXNPFEDSA-N 0 0 411.527 5.013 50 0 HKAARN c1c(-c2ccccc2)sc2ncnc(N3CCC[C@H]3c3nnc4n3CCCCC4)c12 ZINC000013021314 569051195 /nfs/dbraw/zinc/05/11/95/569051195.db2.gz DIZWSHCSERAVNU-SFHVURJKSA-N 0 0 416.554 5.018 50 0 HKAARN c1c(-c2ccccc2)sc2ncnc(N3CCC[C@@H]3c3nnc4n3CCCCC4)c12 ZINC000013021316 569051176 /nfs/dbraw/zinc/05/11/76/569051176.db2.gz DIZWSHCSERAVNU-GOSISDBHSA-N 0 0 416.554 5.018 50 0 HKAARN CN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013021964 569051171 /nfs/dbraw/zinc/05/11/71/569051171.db2.gz RJWOMMLUFGQEMS-UHFFFAOYSA-N 0 0 420.940 5.004 50 0 HKAARN Cc1c(NC(=O)c2cc3ccccc3o2)cccc1C(=O)N1CCc2sccc2C1 ZINC000013022929 558504766 /nfs/dbraw/zinc/50/47/66/558504766.db2.gz IHVOFNOPIQQHAU-UHFFFAOYSA-N 0 0 416.502 5.254 50 0 HKAARN CSc1ccccc1NC(=O)CCSCc1cc(Cl)c2c(c1)OCCO2 ZINC000013024065 569407537 /nfs/dbraw/zinc/40/75/37/569407537.db2.gz DDSICLCGCSHEDM-UHFFFAOYSA-N 0 0 409.960 5.095 50 0 HKAARN Cn1c2ccccc2nc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000013027699 558505025 /nfs/dbraw/zinc/50/50/25/558505025.db2.gz OTXMVEIMHIZQPP-UHFFFAOYSA-N 0 0 414.306 6.218 50 0 HKAARN O=C(CSCc1csc(-c2cccs2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013028242 569407483 /nfs/dbraw/zinc/40/74/83/569407483.db2.gz YMXGQRWSRXPFOU-UHFFFAOYSA-N 0 0 415.392 6.050 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013029011 132452674 /nfs/dbraw/zinc/45/26/74/132452674.db2.gz NKILZZAIAKMVDT-UHFFFAOYSA-N 0 0 423.866 5.098 50 0 HKAARN Cc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)c(C)c1 ZINC000013029685 558505068 /nfs/dbraw/zinc/50/50/68/558505068.db2.gz TVIYYOULTBQVNG-AYHJJNSGSA-N 0 0 404.597 5.032 50 0 HKAARN CCOCN(C(=O)Cn1c2ccccc2nc1-c1ccco1)c1c(C)cccc1CC ZINC000013030674 558505011 /nfs/dbraw/zinc/50/50/11/558505011.db2.gz XOSDSSCNYLOLPA-UHFFFAOYSA-N 0 0 417.509 5.194 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000013030743 558505062 /nfs/dbraw/zinc/50/50/62/558505062.db2.gz RSOFSWHYZCGXSL-LJQANCHMSA-N 0 0 402.969 7.088 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000013030745 558505053 /nfs/dbraw/zinc/50/50/53/558505053.db2.gz RSOFSWHYZCGXSL-IBGZPJMESA-N 0 0 402.969 7.088 50 0 HKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000013030751 558505273 /nfs/dbraw/zinc/50/52/73/558505273.db2.gz ZNSLRMJIWZQOGX-JOCHJYFZSA-N 0 0 412.577 6.774 50 0 HKAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000013030755 558505296 /nfs/dbraw/zinc/50/52/96/558505296.db2.gz ZNSLRMJIWZQOGX-QFIPXVFZSA-N 0 0 412.577 6.774 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000013030763 558505318 /nfs/dbraw/zinc/50/53/18/558505318.db2.gz TUEHYRGVBGFANX-UHFFFAOYSA-N 0 0 414.549 6.382 50 0 HKAARN COc1ccccc1Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000013030766 558505306 /nfs/dbraw/zinc/50/53/06/558505306.db2.gz TYHCXTRWLMSJHD-UHFFFAOYSA-N 0 0 400.522 5.970 50 0 HKAARN Cc1cccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 ZINC000013030780 558505269 /nfs/dbraw/zinc/50/52/69/558505269.db2.gz SGVPHHYOFFZINM-UHFFFAOYSA-N 0 0 414.549 6.300 50 0 HKAARN Cc1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000013030783 558505185 /nfs/dbraw/zinc/50/51/85/558505185.db2.gz AYOFJIFLVLXDSF-UHFFFAOYSA-N 0 0 414.549 6.300 50 0 HKAARN Cc1ccccc1OCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000013030786 558505195 /nfs/dbraw/zinc/50/51/95/558505195.db2.gz AERAWMBRKOWJHH-UHFFFAOYSA-N 0 0 414.549 6.300 50 0 HKAARN CC(C)(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000013030791 558505249 /nfs/dbraw/zinc/50/52/49/558505249.db2.gz LCZCMCCCPZCPAX-UHFFFAOYSA-N 0 0 404.941 6.615 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000013030799 558505230 /nfs/dbraw/zinc/50/52/30/558505230.db2.gz MUCORLDZOUCQNS-UHFFFAOYSA-N 0 0 400.522 5.992 50 0 aggregator HKAARN Cc1ccccc1OCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000013030832 558505314 /nfs/dbraw/zinc/50/53/14/558505314.db2.gz GOIXUCOGVNXNNS-UHFFFAOYSA-N 0 0 421.585 5.299 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000013030877 558505236 /nfs/dbraw/zinc/50/52/36/558505236.db2.gz FRIKOFACCYBNAI-JOCHJYFZSA-N 0 0 418.584 7.588 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000013030880 558505175 /nfs/dbraw/zinc/50/51/75/558505175.db2.gz FRIKOFACCYBNAI-QFIPXVFZSA-N 0 0 418.584 7.588 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000013030892 558505180 /nfs/dbraw/zinc/50/51/80/558505180.db2.gz JPUNBMOUKBNZAT-LJQANCHMSA-N 0 0 402.969 7.088 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000013030895 558505256 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HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccccn1)O2 ZINC000013036341 569407506 /nfs/dbraw/zinc/40/75/06/569407506.db2.gz PFDRBBULTUZYRC-APWZRJJASA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccccn1)O2 ZINC000013036344 569407498 /nfs/dbraw/zinc/40/74/98/569407498.db2.gz PFDRBBULTUZYRC-VQIMIIECSA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1cccs1)O2 ZINC000013036346 558505477 /nfs/dbraw/zinc/50/54/77/558505477.db2.gz UEPOEYRNQWQBCY-KDOFPFPSSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1cccs1)O2 ZINC000013036348 558505486 /nfs/dbraw/zinc/50/54/86/558505486.db2.gz UEPOEYRNQWQBCY-RDTXWAMCSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccsc1)O2 ZINC000013036350 569407620 /nfs/dbraw/zinc/40/76/20/569407620.db2.gz AGQKQVXUHPJYJT-QAPCUYQASA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccco1)O2 ZINC000013036352 569407599 /nfs/dbraw/zinc/40/75/99/569407599.db2.gz VREJKRONEZOCFX-KDOFPFPSSA-N 0 0 401.285 5.346 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccco1)O2 ZINC000013036354 569407598 /nfs/dbraw/zinc/40/75/98/569407598.db2.gz VREJKRONEZOCFX-RDTXWAMCSA-N 0 0 401.285 5.346 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000013036382 569407635 /nfs/dbraw/zinc/40/76/35/569407635.db2.gz LGTCWJSYPZONER-WMZHIEFXSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000013036384 569407604 /nfs/dbraw/zinc/40/76/04/569407604.db2.gz XXDXXNVXWIGLKQ-NZQKXSOJSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000013036401 569407617 /nfs/dbraw/zinc/40/76/17/569407617.db2.gz NVJUZPUYIFHPJK-GAJHUEQPSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000013036403 569407609 /nfs/dbraw/zinc/40/76/09/569407609.db2.gz FKFCBITVXQBREZ-FDDCHVKYSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 ZINC000013036516 569407619 /nfs/dbraw/zinc/40/76/19/569407619.db2.gz VJLIFRAZSSOQHT-XUZZJYLKSA-N 0 0 404.535 6.006 50 0 HKAARN CC(C)c1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 ZINC000013037030 569407605 /nfs/dbraw/zinc/40/76/05/569407605.db2.gz UNGDQCJRSLUZDB-INIZCTEOSA-N 0 0 415.415 5.399 50 0 HKAARN CC(C)c1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 ZINC000013037032 569407584 /nfs/dbraw/zinc/40/75/84/569407584.db2.gz UNGDQCJRSLUZDB-MRXNPFEDSA-N 0 0 415.415 5.399 50 0 HKAARN CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 ZINC000013037034 569407630 /nfs/dbraw/zinc/40/76/30/569407630.db2.gz UDQXMRFFGBAZHM-INIZCTEOSA-N 0 0 415.415 5.399 50 0 HKAARN CC(C)c1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 ZINC000013037036 569407638 /nfs/dbraw/zinc/40/76/38/569407638.db2.gz UDQXMRFFGBAZHM-MRXNPFEDSA-N 0 0 415.415 5.399 50 0 HKAARN CCOc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000013037056 569407612 /nfs/dbraw/zinc/40/76/12/569407612.db2.gz XLZAQCKKOXAZQX-UHFFFAOYSA-N 0 0 421.497 5.005 50 0 HKAARN Cc1ccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1C ZINC000013037058 569407597 /nfs/dbraw/zinc/40/75/97/569407597.db2.gz VUROUIVBFKPBSM-UHFFFAOYSA-N 0 0 405.498 5.223 50 0 HKAARN Cc1c2nc(N(Cc3ccco3)C(=O)c3cccc(F)c3)sc2ccc1Cl ZINC000013037069 569407596 /nfs/dbraw/zinc/40/75/96/569407596.db2.gz PDDSPWVKIQZQHO-UHFFFAOYSA-N 0 0 400.862 5.837 50 0 HKAARN CCOC(=O)c1sc2nc(C)nc(N(C)Cc3cccc(Cl)c3Cl)c2c1C ZINC000013038167 569407755 /nfs/dbraw/zinc/40/77/55/569407755.db2.gz PFLZUNUBOQNNSI-UHFFFAOYSA-N 0 0 424.353 5.428 50 0 HKAARN Cc1cccc(N2CCN(c3nc(C)nc4sc5c(c43)CCCCC5)CC2)c1C ZINC000013038586 569407754 /nfs/dbraw/zinc/40/77/54/569407754.db2.gz RNCGSKCHENGQAA-UHFFFAOYSA-N 0 0 406.599 5.212 50 0 HKAARN CCn1c2ccccc2c(C(=O)CN2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000013038849 558505939 /nfs/dbraw/zinc/50/59/39/558505939.db2.gz FUARBPXITBEDSX-UHFFFAOYSA-N 0 0 423.560 5.333 50 0 HKAARN CCN(C(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccccc1 ZINC000013038873 558505946 /nfs/dbraw/zinc/50/59/46/558505946.db2.gz WUTLZVKYTBMYIV-GOSISDBHSA-N 0 0 416.521 5.102 50 0 HKAARN CCN(C(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCCCC2)c1ccccc1 ZINC000013038874 558505931 /nfs/dbraw/zinc/50/59/31/558505931.db2.gz WUTLZVKYTBMYIV-SFHVURJKSA-N 0 0 416.521 5.102 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000013038952 569407810 /nfs/dbraw/zinc/40/78/10/569407810.db2.gz MEYPZFNZXAQUNV-UHFFFAOYSA-N 0 0 419.399 5.261 50 0 HKAARN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Sc3nc[nH]n3)c2c1C ZINC000013039332 558506197 /nfs/dbraw/zinc/50/61/97/558506197.db2.gz FFUWAKHAYSQFQP-UHFFFAOYSA-N 0 0 419.988 5.523 50 0 HKAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)c1c[nH]c2ccccc12 ZINC000013039484 569407882 /nfs/dbraw/zinc/40/78/82/569407882.db2.gz ONSFZEPQYCGGAL-MRXNPFEDSA-N 0 0 412.489 5.413 50 0 HKAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)c1c[nH]c2ccccc12 ZINC000013039485 569407894 /nfs/dbraw/zinc/40/78/94/569407894.db2.gz ONSFZEPQYCGGAL-INIZCTEOSA-N 0 0 412.489 5.413 50 0 HKAARN Cc1ccccc1NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000013039570 558506122 /nfs/dbraw/zinc/50/61/22/558506122.db2.gz UZYNLOYNGMRCDS-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)CN[C@@H](C)c3ccccc3Cl)ccc21 ZINC000013039925 569407806 /nfs/dbraw/zinc/40/78/06/569407806.db2.gz CHHJFZCLBIJVLT-INIZCTEOSA-N 0 0 405.929 5.757 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)CN[C@H](C)c3ccccc3Cl)ccc21 ZINC000013039926 569407841 /nfs/dbraw/zinc/40/78/41/569407841.db2.gz CHHJFZCLBIJVLT-MRXNPFEDSA-N 0 0 405.929 5.757 50 0 HKAARN CN(C)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1c(F)cccc1Cl ZINC000013040024 558506569 /nfs/dbraw/zinc/50/65/69/558506569.db2.gz OKWZNQZHBWIXPX-HNNXBMFYSA-N 0 0 404.942 5.077 50 0 HKAARN CN(C)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1c(F)cccc1Cl ZINC000013040025 558506557 /nfs/dbraw/zinc/50/65/57/558506557.db2.gz OKWZNQZHBWIXPX-OAHLLOKOSA-N 0 0 404.942 5.077 50 0 HKAARN Cc1cc(NC(=O)Cc2csc(Nc3cc(C)ccc3C)n2)n(-c2ccccc2)n1 ZINC000013040059 558506455 /nfs/dbraw/zinc/50/64/55/558506455.db2.gz BFDYCJOEDXBPHT-UHFFFAOYSA-N 0 0 417.538 5.179 50 0 HKAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000013040070 569407823 /nfs/dbraw/zinc/40/78/23/569407823.db2.gz HFWHUVMTVGQWAB-UHFFFAOYSA-N 0 0 411.855 5.226 50 0 HKAARN Cc1ccc(OC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C ZINC000013040072 132452934 /nfs/dbraw/zinc/45/29/34/132452934.db2.gz SVQAYSHRFCEUBH-UHFFFAOYSA-N 0 0 412.839 5.193 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013040114 558506511 /nfs/dbraw/zinc/50/65/11/558506511.db2.gz ZBYDPZSTZWRDCU-QGZVFWFLSA-N 0 0 413.583 5.250 50 0 HKAARN CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013040115 558506459 /nfs/dbraw/zinc/50/64/59/558506459.db2.gz ZBYDPZSTZWRDCU-KRWDZBQOSA-N 0 0 413.583 5.250 50 0 HKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000013040123 558506525 /nfs/dbraw/zinc/50/65/25/558506525.db2.gz ZXJRTGMPBBHFPT-UHFFFAOYSA-N 0 0 421.994 5.135 50 0 HKAARN Cc1nc2sc3c(c2c(NC[C@@H](c2ccccc2Cl)N(C)C)n1)CCCC3 ZINC000013040207 558506793 /nfs/dbraw/zinc/50/67/93/558506793.db2.gz YAURUUNITRHTPA-KRWDZBQOSA-N 0 0 400.979 5.247 50 0 HKAARN Cc1nc2sc3c(c2c(NC[C@H](c2ccccc2Cl)N(C)C)n1)CCCC3 ZINC000013040208 558506753 /nfs/dbraw/zinc/50/67/53/558506753.db2.gz YAURUUNITRHTPA-QGZVFWFLSA-N 0 0 400.979 5.247 50 0 HKAARN CCc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000013040288 569407891 /nfs/dbraw/zinc/40/78/91/569407891.db2.gz LAUITICOEQIMLK-UHFFFAOYSA-N 0 0 420.940 5.204 50 0 HKAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013040989 558507000 /nfs/dbraw/zinc/50/70/00/558507000.db2.gz MZYJYIBGDPRRRK-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013040990 560791950 /nfs/dbraw/zinc/79/19/50/560791950.db2.gz PJYRRFJUZPGKRV-UHFFFAOYSA-N 0 0 403.457 5.010 50 0 HKAARN Cc1nc2sc3c(c2c(Oc2ccc4c(c2)oc(=O)cc4C(C)C)n1)CCCCC3 ZINC000013041028 558506951 /nfs/dbraw/zinc/50/69/51/558506951.db2.gz DQWBMXNPBBMKLF-UHFFFAOYSA-N 0 0 420.534 6.291 50 0 HKAARN C[C@@H]1CCN(C(=O)CN(C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041080 558507218 /nfs/dbraw/zinc/50/72/18/558507218.db2.gz VKYPBVJPOWPXTR-HXUWFJFHSA-N 0 0 416.590 5.625 50 0 HKAARN C[C@H]1CCN(C(=O)CN(C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041081 558507239 /nfs/dbraw/zinc/50/72/39/558507239.db2.gz VKYPBVJPOWPXTR-FQEVSTJZSA-N 0 0 416.590 5.625 50 0 HKAARN Cc1cc(C)cc(Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 ZINC000013041127 569407926 /nfs/dbraw/zinc/40/79/26/569407926.db2.gz QWIBROMJPPZMKG-UHFFFAOYSA-N 0 0 412.408 6.373 50 0 HKAARN Cc1cccc(C)c1OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013041174 558507198 /nfs/dbraw/zinc/50/71/98/558507198.db2.gz IGYGYHRFYIXZIC-UHFFFAOYSA-N 0 0 412.839 5.193 50 0 HKAARN Cc1ccc(Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1C ZINC000013041200 569407995 /nfs/dbraw/zinc/40/79/95/569407995.db2.gz YWMBXSJCJBLGAG-UHFFFAOYSA-N 0 0 412.408 6.373 50 0 HKAARN O=S(=O)(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013041296 569407947 /nfs/dbraw/zinc/40/79/47/569407947.db2.gz FLMJXJMZQOKHOW-UHFFFAOYSA-N 0 0 403.731 5.178 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)c1 ZINC000013041358 569407987 /nfs/dbraw/zinc/40/79/87/569407987.db2.gz LUAAEWYSKWYLIN-UHFFFAOYSA-N 0 0 422.447 5.720 50 0 HKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000013041405 569052392 /nfs/dbraw/zinc/05/23/92/569052392.db2.gz SWZSOWXZWAWOCJ-UHFFFAOYSA-N 0 0 420.484 5.139 50 0 HKAARN CC(C)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013041422 569407930 /nfs/dbraw/zinc/40/79/30/569407930.db2.gz FYJYNHWDPBAEEU-UHFFFAOYSA-N 0 0 411.367 5.648 50 0 HKAARN Cc1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013041443 569408006 /nfs/dbraw/zinc/40/80/06/569408006.db2.gz SZQRRVZIKIFJAI-KRWDZBQOSA-N 0 0 415.946 5.313 50 0 HKAARN Cc1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)n1C[C@H]1CCCO1 ZINC000013041444 569407993 /nfs/dbraw/zinc/40/79/93/569407993.db2.gz SZQRRVZIKIFJAI-QGZVFWFLSA-N 0 0 415.946 5.313 50 0 HKAARN CC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccc(C)cc31)OCO2 ZINC000013041464 558507445 /nfs/dbraw/zinc/50/74/45/558507445.db2.gz AMMGYFSODZZRIU-UHFFFAOYSA-N 0 0 424.456 5.394 50 0 HKAARN CC(C)c1ccccc1Nc1nnc(-c2cc(-c3cccnc3)nc3ccccc32)s1 ZINC000013041520 558507434 /nfs/dbraw/zinc/50/74/34/558507434.db2.gz WTQCBHGAGHYXKL-UHFFFAOYSA-N 0 0 423.545 6.682 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1 ZINC000013041591 558507532 /nfs/dbraw/zinc/50/75/32/558507532.db2.gz DBTDSAOLNHTJLL-UHFFFAOYSA-N 0 0 412.477 5.559 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000013041601 558507475 /nfs/dbraw/zinc/50/74/75/558507475.db2.gz YSMJDKUHQOOLPS-UHFFFAOYSA-N 0 0 416.365 5.967 50 0 HKAARN COc1ccccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000013041657 558507723 /nfs/dbraw/zinc/50/77/23/558507723.db2.gz LZQWXGYKBJXQEU-UHFFFAOYSA-N 0 0 411.505 5.095 50 0 HKAARN Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1C ZINC000013041827 569408076 /nfs/dbraw/zinc/40/80/76/569408076.db2.gz QXGSFCIQZYOHRF-UHFFFAOYSA-N 0 0 408.498 5.426 50 0 HKAARN Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)cc1Cl ZINC000013041841 569408077 /nfs/dbraw/zinc/40/80/77/569408077.db2.gz IDAQTSLFWRAKLW-UHFFFAOYSA-N 0 0 401.978 7.036 50 0 HKAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013041891 569408114 /nfs/dbraw/zinc/40/81/14/569408114.db2.gz HFDFEKQSJDRTPU-UHFFFAOYSA-N 0 0 415.324 5.160 50 0 HKAARN CCOc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OCc1ccccc1 ZINC000013042075 560791023 /nfs/dbraw/zinc/79/10/23/560791023.db2.gz CONFXHONZARCGS-BMRADRMJSA-N 0 0 415.533 6.440 50 0 HKAARN COc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc(Cl)c1OC(C)C ZINC000013042077 569408079 /nfs/dbraw/zinc/40/80/79/569408079.db2.gz UATQMHUHMNAUQH-UHFFFAOYSA-N 0 0 424.880 5.586 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000013042086 558507831 /nfs/dbraw/zinc/50/78/31/558507831.db2.gz OXVLHMHGCBTABD-MRXNPFEDSA-N 0 0 406.507 5.067 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000013042087 558507942 /nfs/dbraw/zinc/50/79/42/558507942.db2.gz OXVLHMHGCBTABD-INIZCTEOSA-N 0 0 406.507 5.067 50 0 HKAARN Cc1nc2sc3c(c2c(N2CCN(c4ccccc4Cl)CC2)n1)CC[C@@H](C)C3 ZINC000013042100 569408135 /nfs/dbraw/zinc/40/81/35/569408135.db2.gz BYNLLYIOPQEUPD-CQSZACIVSA-N 0 0 412.990 5.105 50 0 HKAARN Cc1nc2sc3c(c2c(N2CCN(c4ccccc4Cl)CC2)n1)CC[C@H](C)C3 ZINC000013042101 569408146 /nfs/dbraw/zinc/40/81/46/569408146.db2.gz BYNLLYIOPQEUPD-AWEZNQCLSA-N 0 0 412.990 5.105 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000013042170 569408100 /nfs/dbraw/zinc/40/81/00/569408100.db2.gz IROCRZWQXBCWLG-UHFFFAOYSA-N 0 0 422.525 5.932 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000013042202 569408131 /nfs/dbraw/zinc/40/81/31/569408131.db2.gz COFRCCGXQMZYSV-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000013042203 569408104 /nfs/dbraw/zinc/40/81/04/569408104.db2.gz COFRCCGXQMZYSV-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc32)cc(OC)c1OC ZINC000013042358 569408098 /nfs/dbraw/zinc/40/80/98/569408098.db2.gz NSLZSQKADDGBBY-UHFFFAOYSA-N 0 0 422.264 5.095 50 0 HKAARN CCOc1c(Cl)cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000013042365 560791489 /nfs/dbraw/zinc/79/14/89/560791489.db2.gz QHGAZLBJUNRRBC-VAWYXSNFSA-N 0 0 415.961 6.646 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F ZINC000013042366 569052441 /nfs/dbraw/zinc/05/24/41/569052441.db2.gz MLVGUPCSZSVTDH-ZRDIBKRKSA-N 0 0 403.469 6.195 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000013042368 569408123 /nfs/dbraw/zinc/40/81/23/569408123.db2.gz HVZIBYGQHREIAL-UHFFFAOYSA-N 0 0 421.968 7.418 50 0 HKAARN CCC[C@@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000013042419 569408053 /nfs/dbraw/zinc/40/80/53/569408053.db2.gz KWQAKBQOMBFVDX-CQSZACIVSA-N 0 0 420.340 5.227 50 0 HKAARN CCC[C@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000013042420 569408132 /nfs/dbraw/zinc/40/81/32/569408132.db2.gz KWQAKBQOMBFVDX-AWEZNQCLSA-N 0 0 420.340 5.227 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 ZINC000013042499 558508109 /nfs/dbraw/zinc/50/81/09/558508109.db2.gz JMBQPTVZXHTASF-UHFFFAOYSA-N 0 0 418.493 5.088 50 0 HKAARN C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc2ccccc21 ZINC000013049322 558508340 /nfs/dbraw/zinc/50/83/40/558508340.db2.gz BXZFSBITSJFVAU-KRWDZBQOSA-N 0 0 413.477 5.246 50 0 HKAARN C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc2ccccc21 ZINC000013049324 558508422 /nfs/dbraw/zinc/50/84/22/558508422.db2.gz BXZFSBITSJFVAU-QGZVFWFLSA-N 0 0 413.477 5.246 50 0 HKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1cccc2ccccc21 ZINC000013055796 569408039 /nfs/dbraw/zinc/40/80/39/569408039.db2.gz KIZRSGNFTYPKEV-UHFFFAOYSA-N 0 0 409.485 5.697 50 0 HKAARN C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056024 569408118 /nfs/dbraw/zinc/40/81/18/569408118.db2.gz XCVMRYOOGVXPAH-LLVKDONJSA-N 0 0 420.167 5.609 50 0 HKAARN C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013056026 569408057 /nfs/dbraw/zinc/40/80/57/569408057.db2.gz XCVMRYOOGVXPAH-NSHDSACASA-N 0 0 420.167 5.609 50 0 HKAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056408 569408087 /nfs/dbraw/zinc/40/80/87/569408087.db2.gz IYWQESJQGBVGRY-CYBMUJFWSA-N 0 0 420.365 5.421 50 0 HKAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl ZINC000013056410 569408142 /nfs/dbraw/zinc/40/81/42/569408142.db2.gz IYWQESJQGBVGRY-ZDUSSCGKSA-N 0 0 420.365 5.421 50 0 HKAARN COc1ccc(Cc2nc3sc4c(c3c(N3CCCCCC3)n2)CCC4)cc1OC ZINC000013056715 558508655 /nfs/dbraw/zinc/50/86/55/558508655.db2.gz RHALQPOKBCLNRN-UHFFFAOYSA-N 0 0 423.582 5.168 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000013056787 569408271 /nfs/dbraw/zinc/40/82/71/569408271.db2.gz GBXROTSTPCBLRI-UHFFFAOYSA-N 0 0 412.455 6.030 50 0 HKAARN C[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000013057465 558508821 /nfs/dbraw/zinc/50/88/21/558508821.db2.gz PBLZGHCBTIQEGV-LJQANCHMSA-N 0 0 405.542 5.206 50 0 HKAARN C[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000013057468 558508907 /nfs/dbraw/zinc/50/89/07/558508907.db2.gz PBLZGHCBTIQEGV-IBGZPJMESA-N 0 0 405.542 5.206 50 0 HKAARN CCOc1ccccc1OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000013057923 558509175 /nfs/dbraw/zinc/50/91/75/558509175.db2.gz ACVSMMOZCQEKBO-UHFFFAOYSA-N 0 0 404.897 6.170 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1 ZINC000013057945 560792897 /nfs/dbraw/zinc/79/28/97/560792897.db2.gz KCFSTXKEYGLOBM-UKTHLTGXSA-N 0 0 411.542 5.688 50 0 HKAARN COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OC ZINC000013057951 560792801 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O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013068530 558510659 /nfs/dbraw/zinc/51/06/59/558510659.db2.gz MKBMEADOJLTRLT-GOSISDBHSA-N 0 0 423.538 5.465 50 0 HKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000013068533 558510677 /nfs/dbraw/zinc/51/06/77/558510677.db2.gz MKBMEADOJLTRLT-SFHVURJKSA-N 0 0 423.538 5.465 50 0 HKAARN COc1cc(/C=C/C(=O)Oc2cccc(Cl)c2Cl)cc(Cl)c1OC(C)C ZINC000013069525 560793128 /nfs/dbraw/zinc/79/31/28/560793128.db2.gz DUXMQCBGSDDPIS-BQYQJAHWSA-N 0 0 415.700 6.061 50 0 HKAARN CC(=O)N(c1nc(COC(=O)CCc2ccccc2Cl)cs1)c1ccccc1 ZINC000013070024 558511170 /nfs/dbraw/zinc/51/11/70/558511170.db2.gz BFQBFGFIADDWQV-UHFFFAOYSA-N 0 0 414.914 5.157 50 0 HKAARN Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C ZINC000013070270 560793265 /nfs/dbraw/zinc/79/32/65/560793265.db2.gz KMTOSXDXLZCCAP-VQHVLOKHSA-N 0 0 422.878 5.338 50 0 HKAARN CC1CCN(Cn2nc(Cc3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000013070586 558511443 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CC1CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3F)c2=S)CC1 ZINC000013071527 569408583 /nfs/dbraw/zinc/40/85/83/569408583.db2.gz LRYDJRZCQPFIAY-UHFFFAOYSA-N 0 0 416.953 5.552 50 0 HKAARN CCOc1ccc(-c2nc(COc3cccc(Cl)c3Cl)cs2)cc1OC ZINC000013071643 558511595 /nfs/dbraw/zinc/51/15/95/558511595.db2.gz LTRBULPPMHMAPV-UHFFFAOYSA-N 0 0 410.322 6.103 50 0 HKAARN CCc1ccc(Nc2nn(CN(C)Cc3cccc(Cl)c3)c(=S)s2)cc1 ZINC000013071920 558511635 /nfs/dbraw/zinc/51/16/35/558511635.db2.gz CTLAZHHNNWVKEC-UHFFFAOYSA-N 0 0 404.992 5.723 50 0 HKAARN COc1ccc(Cc2nn(CN(C)Cc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 ZINC000013071942 558511648 /nfs/dbraw/zinc/51/16/48/558511648.db2.gz IXLQCXYVSPNUBF-UHFFFAOYSA-N 0 0 424.353 5.201 50 0 HKAARN CN(Cc1ccc(F)cc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000013071944 569408603 /nfs/dbraw/zinc/40/86/03/569408603.db2.gz QWHBZEOXZMOBHH-UHFFFAOYSA-N 0 0 422.504 5.438 50 0 HKAARN S=c1n(CN2CCc3ccccc3C2)nc(Cc2cccs2)n1C1CCCCC1 ZINC000013071989 558511640 /nfs/dbraw/zinc/51/16/40/558511640.db2.gz SWORUBGTJKTRPO-UHFFFAOYSA-N 0 0 424.639 5.587 50 0 HKAARN CC(C)c1ccc(Nc2nn(CN(C)Cc3cccc(Cl)c3)c(=S)s2)cc1 ZINC000013072087 558511701 /nfs/dbraw/zinc/51/17/01/558511701.db2.gz OCEXZVJKDUVAKG-UHFFFAOYSA-N 0 0 419.019 6.284 50 0 HKAARN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013072444 569408665 /nfs/dbraw/zinc/40/86/65/569408665.db2.gz KFWRNGBSVONHPS-GFCCVEGCSA-N 0 0 419.369 5.692 50 0 HKAARN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013072446 569408694 /nfs/dbraw/zinc/40/86/94/569408694.db2.gz KFWRNGBSVONHPS-LBPRGKRZSA-N 0 0 419.369 5.692 50 0 HKAARN Cc1ccc(Nc2nn(CN(C)Cc3c(F)cccc3Cl)c(=S)s2)cc1 ZINC000013072605 569408657 /nfs/dbraw/zinc/40/86/57/569408657.db2.gz OOBHQNILIZGZSV-UHFFFAOYSA-N 0 0 408.955 5.608 50 0 HKAARN CCCn1c(=S)n(CN(C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072635 569408682 /nfs/dbraw/zinc/40/86/82/569408682.db2.gz PAQWOKSVOOUNRA-UHFFFAOYSA-N 0 0 416.978 5.243 50 0 HKAARN Cc1ccccc1-n1c(=S)n(CN2CCC(C)CC2)nc1-c1ccc(Cl)cc1 ZINC000013072659 569408675 /nfs/dbraw/zinc/40/86/75/569408675.db2.gz YCVKLQNWAARYGG-UHFFFAOYSA-N 0 0 412.990 5.722 50 0 HKAARN COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OCC(C)C ZINC000013072687 558511816 /nfs/dbraw/zinc/51/18/16/558511816.db2.gz KTPFDPNLRIQBCD-UHFFFAOYSA-N 0 0 417.977 6.883 50 0 HKAARN NC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)CCCCC2 ZINC000013072780 569408696 /nfs/dbraw/zinc/40/86/96/569408696.db2.gz HCNWSZQFJTYGDQ-UHFFFAOYSA-N 0 0 406.507 5.161 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccnn1C1CCCCC1 ZINC000013072858 558511865 /nfs/dbraw/zinc/51/18/65/558511865.db2.gz IJFFFIWNFUQFLU-UHFFFAOYSA-N 0 0 402.709 5.366 50 0 HKAARN Cc1c(Cl)cccc1-n1c(=S)n(CN2CCC(C)CC2)nc1-c1ccncc1 ZINC000013072872 558511851 /nfs/dbraw/zinc/51/18/51/558511851.db2.gz JXTGCYCTUPNOTL-UHFFFAOYSA-N 0 0 413.978 5.117 50 0 HKAARN Cc1cc(OCc2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)[nH]2)ccc1Cl ZINC000013072896 569056208 /nfs/dbraw/zinc/05/62/08/569056208.db2.gz IAFYGIRVVDMJTC-UHFFFAOYSA-N 0 0 423.369 5.224 50 0 HKAARN 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CN(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000013074146 569408705 /nfs/dbraw/zinc/40/87/05/569408705.db2.gz DPOUTJNLLGDFCU-UHFFFAOYSA-N 0 0 420.969 5.813 50 0 HKAARN CN(Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S ZINC000013074148 558512048 /nfs/dbraw/zinc/51/20/48/558512048.db2.gz OSQMPBPDVIUVAM-UHFFFAOYSA-N 0 0 412.990 5.939 50 0 HKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC(F)F)cc1 ZINC000013074199 558512084 /nfs/dbraw/zinc/51/20/84/558512084.db2.gz MEPCPHAALWSUHV-UHFFFAOYSA-N 0 0 421.831 5.042 50 0 HKAARN Cc1cccc(COc2ccccc2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000013075300 569408687 /nfs/dbraw/zinc/40/86/87/569408687.db2.gz HWOARCCMHWFQPG-UHFFFAOYSA-N 0 0 401.550 7.073 50 0 HKAARN O=C(CCCOc1cccc(Br)c1)Nc1nc(-c2ccccc2)cs1 ZINC000013076159 569408677 /nfs/dbraw/zinc/40/86/77/569408677.db2.gz WGWCJXKDCLPRNB-UHFFFAOYSA-N 0 0 417.328 5.370 50 0 HKAARN Cc1c(C(=O)Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)sc2cccc(F)c12 ZINC000013095158 558512612 /nfs/dbraw/zinc/51/26/12/558512612.db2.gz 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Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCc1ccccc1Cl ZINC000013097538 569409022 /nfs/dbraw/zinc/40/90/22/569409022.db2.gz MUCXGEVLOCSEJH-UHFFFAOYSA-N 0 0 416.930 5.747 50 0 HKAARN Cc1c(Cl)cccc1-n1c(=S)n(CN2CCC[C@@H](C)C2)nc1-c1ccncc1 ZINC000013097637 558513616 /nfs/dbraw/zinc/51/36/16/558513616.db2.gz KJXGDTZRDLTGEP-OAHLLOKOSA-N 0 0 413.978 5.117 50 0 HKAARN Cc1c(Cl)cccc1-n1c(=S)n(CN2CCC[C@H](C)C2)nc1-c1ccncc1 ZINC000013097638 558513580 /nfs/dbraw/zinc/51/35/80/558513580.db2.gz KJXGDTZRDLTGEP-HNNXBMFYSA-N 0 0 413.978 5.117 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013098007 558513906 /nfs/dbraw/zinc/51/39/06/558513906.db2.gz BVHIJKZERDRUSN-YLJYHZDGSA-N 0 0 409.574 5.023 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013098008 558513932 /nfs/dbraw/zinc/51/39/32/558513932.db2.gz BVHIJKZERDRUSN-FXAWDEMLSA-N 0 0 409.574 5.023 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013098009 558513937 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/nfs/dbraw/zinc/51/50/16/558515016.db2.gz BJNRCZDIYRICHK-UHFFFAOYSA-N 0 0 424.957 5.776 50 0 HKAARN CC[C@@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 ZINC000013110078 569409289 /nfs/dbraw/zinc/40/92/89/569409289.db2.gz FIQPUFGHYDKWJQ-GFCCVEGCSA-N 0 0 420.460 5.115 50 0 HKAARN CC[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 ZINC000013110079 569409270 /nfs/dbraw/zinc/40/92/70/569409270.db2.gz FIQPUFGHYDKWJQ-LBPRGKRZSA-N 0 0 420.460 5.115 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc(F)cc2)N1 ZINC000013110682 558515415 /nfs/dbraw/zinc/51/54/15/558515415.db2.gz QUUXEFRWKBUKFP-NRFANRHFSA-N 0 0 401.466 5.358 50 0 HKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc(F)cc2)N1 ZINC000013110683 558515386 /nfs/dbraw/zinc/51/53/86/558515386.db2.gz QUUXEFRWKBUKFP-OAQYLSRUSA-N 0 0 401.466 5.358 50 0 HKAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000013112191 569409325 /nfs/dbraw/zinc/40/93/25/569409325.db2.gz NHBGFHPBCTYHJD-SNVBAGLBSA-N 0 0 422.938 5.253 50 0 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Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1ccco1 ZINC000013114453 558515810 /nfs/dbraw/zinc/51/58/10/558515810.db2.gz LCLVYOWUDVCJDG-LJQANCHMSA-N 0 0 424.500 5.998 50 0 HKAARN COc1ccc(F)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000013114721 569409395 /nfs/dbraw/zinc/40/93/95/569409395.db2.gz AWMSDUGOJJBPSX-UHFFFAOYSA-N 0 0 419.909 5.285 50 0 HKAARN CCOc1ccc(-c2nc(Cn3c4ccccc4nc3-c3cscn3)cs2)cc1 ZINC000013114860 558516081 /nfs/dbraw/zinc/51/60/81/558516081.db2.gz MHDSGVWXTMONFC-UHFFFAOYSA-N 0 0 418.547 5.730 50 0 HKAARN c1csc(Cc2nnc(SCCCc3nc(-c4ccccc4)no3)n2C2CC2)c1 ZINC000013115229 558516063 /nfs/dbraw/zinc/51/60/63/558516063.db2.gz VXRSNKLLXYSANW-UHFFFAOYSA-N 0 0 423.567 5.040 50 0 HKAARN Cc1ccc(Cl)c(Oc2nnc(-c3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000013115371 569409426 /nfs/dbraw/zinc/40/94/26/569409426.db2.gz DPLRORPQDQTSIS-UHFFFAOYSA-N 0 0 414.814 7.070 50 0 HKAARN COc1ccc(-c2noc(COc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1 ZINC000013115407 569409453 /nfs/dbraw/zinc/40/94/53/569409453.db2.gz 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COc1ccccc1[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000013115841 558516217 /nfs/dbraw/zinc/51/62/17/558516217.db2.gz KVGNRCZEMDPUPV-CQSZACIVSA-N 0 0 423.513 5.093 50 0 HKAARN COc1ccccc1[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000013115842 558516263 /nfs/dbraw/zinc/51/62/63/558516263.db2.gz KVGNRCZEMDPUPV-AWEZNQCLSA-N 0 0 423.513 5.093 50 0 HKAARN Cc1csc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)n1 ZINC000013115950 558516304 /nfs/dbraw/zinc/51/63/04/558516304.db2.gz GLXCYFCDURXFBS-MRXNPFEDSA-N 0 0 423.519 5.261 50 0 HKAARN Cc1csc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)n1 ZINC000013115953 558516288 /nfs/dbraw/zinc/51/62/88/558516288.db2.gz GLXCYFCDURXFBS-INIZCTEOSA-N 0 0 423.519 5.261 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 ZINC000013116246 558516243 /nfs/dbraw/zinc/51/62/43/558516243.db2.gz ICNJYCKFEPTQKA-UHFFFAOYSA-N 0 0 422.410 5.057 50 0 HKAARN O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000013117120 569409393 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Cc1c(CSc2nnc(-c3ccccc3F)n2C2CC2)noc1-c1ccc(F)cc1 ZINC000013120251 558517067 /nfs/dbraw/zinc/51/70/67/558517067.db2.gz LOARFLPSCUANCG-UHFFFAOYSA-N 0 0 424.476 5.814 50 0 HKAARN CCc1nnc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)s1 ZINC000013120627 558517023 /nfs/dbraw/zinc/51/70/23/558517023.db2.gz SLIWGFQUPOGOHH-UHFFFAOYSA-N 0 0 416.553 5.156 50 0 HKAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cc2ccccc2o1 ZINC000013120757 558516999 /nfs/dbraw/zinc/51/69/99/558516999.db2.gz BFOIKETXYBLEIZ-CYBMUJFWSA-N 0 0 424.551 5.057 50 0 HKAARN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cc2ccccc2o1 ZINC000013120758 558517047 /nfs/dbraw/zinc/51/70/47/558517047.db2.gz BFOIKETXYBLEIZ-ZDUSSCGKSA-N 0 0 424.551 5.057 50 0 HKAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1SCc1ccsc1 ZINC000013120794 558516970 /nfs/dbraw/zinc/51/69/70/558516970.db2.gz ITCFEXLOZNYJGB-UHFFFAOYSA-N 0 0 423.559 6.334 50 0 HKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3ccccc32)cs1 ZINC000013120833 558517002 /nfs/dbraw/zinc/51/70/02/558517002.db2.gz BPJCRINABDXVOA-UHFFFAOYSA-N 0 0 422.535 5.072 50 0 HKAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)s1)C1CC1 ZINC000013120837 558517030 /nfs/dbraw/zinc/51/70/30/558517030.db2.gz STWPZHOZOITQMH-UHFFFAOYSA-N 0 0 423.563 5.086 50 0 HKAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)c1ccc2ccccc2c1 ZINC000013120864 558517063 /nfs/dbraw/zinc/51/70/63/558517063.db2.gz XVFRQTUUWZNUDZ-UHFFFAOYSA-N 0 0 424.323 5.362 50 0 HKAARN Cc1ccc(-n2c(SCc3cc(-c4cccs4)on3)nnc2N2CCCC2)cc1 ZINC000013121159 560800192 /nfs/dbraw/zinc/80/01/92/560800192.db2.gz MCPFZVOGOKNYRL-UHFFFAOYSA-N 0 0 423.567 5.185 50 0 HKAARN COc1ccccc1-c1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1 ZINC000013121267 569409533 /nfs/dbraw/zinc/40/95/33/569409533.db2.gz YUWBPPYYYXTYLD-UHFFFAOYSA-N 0 0 420.563 5.569 50 0 HKAARN CC(C)Cn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F ZINC000013121441 569409538 /nfs/dbraw/zinc/40/95/38/569409538.db2.gz SPIUWFXCWIUSEN-HNNXBMFYSA-N 0 0 423.517 5.644 50 0 HKAARN Cc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2O)cs1 ZINC000013121812 569409488 /nfs/dbraw/zinc/40/94/88/569409488.db2.gz TXZQYZDRVCPCSR-UHFFFAOYSA-N 0 0 417.412 5.401 50 0 HKAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 ZINC000013122087 558517562 /nfs/dbraw/zinc/51/75/62/558517562.db2.gz YZZHNVFJPXZURZ-QHCPKHFHSA-N 0 0 410.477 5.331 50 0 HKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 ZINC000013122088 558517487 /nfs/dbraw/zinc/51/74/87/558517487.db2.gz YZZHNVFJPXZURZ-HSZRJFAPSA-N 0 0 410.477 5.331 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2 ZINC000013122358 132454409 /nfs/dbraw/zinc/45/44/09/132454409.db2.gz KOTRBTHIJPIPTJ-QFIPXVFZSA-N 0 0 414.896 5.976 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2 ZINC000013122359 132454431 /nfs/dbraw/zinc/45/44/31/132454431.db2.gz KOTRBTHIJPIPTJ-JOCHJYFZSA-N 0 0 414.896 5.976 50 0 HKAARN Cn1c(COc2nnc(-c3ccc(Cl)cc3)c3ccccc32)nc2ccccc21 ZINC000013124956 558518364 /nfs/dbraw/zinc/51/83/64/558518364.db2.gz CXSYPOATTFHAPS-UHFFFAOYSA-N 0 0 400.869 5.416 50 0 HKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccccc3O)c2cc1OC ZINC000013125008 558518282 /nfs/dbraw/zinc/51/82/82/558518282.db2.gz POEUIJCVSFDDFS-UHFFFAOYSA-N 0 0 411.461 5.272 50 0 HKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccc(O)cc3)c2cc1OC ZINC000013126191 558518640 /nfs/dbraw/zinc/51/86/40/558518640.db2.gz IAPHBOSWRVYHSF-UHFFFAOYSA-N 0 0 411.461 5.272 50 0 HKAARN CC(C)C(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000013126298 558518635 /nfs/dbraw/zinc/51/86/35/558518635.db2.gz CKWABFKXLFEFNO-HSZRJFAPSA-N 0 0 424.504 5.466 50 0 HKAARN CC(C)C(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1 ZINC000013126300 558518670 /nfs/dbraw/zinc/51/86/70/558518670.db2.gz CKWABFKXLFEFNO-QHCPKHFHSA-N 0 0 424.504 5.466 50 0 HKAARN Cn1c2ccccc2nc1-c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013126305 569409695 /nfs/dbraw/zinc/40/96/95/569409695.db2.gz XRRLWCSBWLUOEJ-UHFFFAOYSA-N 0 0 414.306 6.218 50 0 HKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128121 569211386 /nfs/dbraw/zinc/21/13/86/569211386.db2.gz XPKWSFVUOQMNMA-NEPJUHHUSA-N 0 0 424.551 5.013 50 0 HKAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128122 569211361 /nfs/dbraw/zinc/21/13/61/569211361.db2.gz XPKWSFVUOQMNMA-RYUDHWBXSA-N 0 0 424.551 5.013 50 0 HKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128123 569211366 /nfs/dbraw/zinc/21/13/66/569211366.db2.gz XPKWSFVUOQMNMA-VXGBXAGGSA-N 0 0 424.551 5.013 50 0 HKAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000013128124 569211365 /nfs/dbraw/zinc/21/13/65/569211365.db2.gz XPKWSFVUOQMNMA-NWDGAFQWSA-N 0 0 424.551 5.013 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1cccs1 ZINC000013128305 558519645 /nfs/dbraw/zinc/51/96/45/558519645.db2.gz POFJXSGQQOOEBQ-OAHLLOKOSA-N 0 0 424.616 6.483 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1cccs1 ZINC000013128306 558519589 /nfs/dbraw/zinc/51/95/89/558519589.db2.gz POFJXSGQQOOEBQ-HNNXBMFYSA-N 0 0 424.616 6.483 50 0 HKAARN Fc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)cs2)cc1 ZINC000013128465 558519613 /nfs/dbraw/zinc/51/96/13/558519613.db2.gz IVRCYILIHQKQAS-UHFFFAOYSA-N 0 0 419.510 5.370 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000013128531 558519563 /nfs/dbraw/zinc/51/95/63/558519563.db2.gz BVHBNZYOMMJBFB-UHFFFAOYSA-N 0 0 415.877 5.324 50 0 HKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000013128632 569211378 /nfs/dbraw/zinc/21/13/78/569211378.db2.gz UQDCXBUPHRPZSX-JOCHJYFZSA-N 0 0 410.477 5.220 50 0 HKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1 ZINC000013128633 569211412 /nfs/dbraw/zinc/21/14/12/569211412.db2.gz UQDCXBUPHRPZSX-QFIPXVFZSA-N 0 0 410.477 5.220 50 0 HKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000013128641 558519633 /nfs/dbraw/zinc/51/96/33/558519633.db2.gz XFLQLCGPKSNHNP-HSZRJFAPSA-N 0 0 424.504 5.528 50 0 HKAARN CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000013128642 558519537 /nfs/dbraw/zinc/51/95/37/558519537.db2.gz XFLQLCGPKSNHNP-QHCPKHFHSA-N 0 0 424.504 5.528 50 0 HKAARN O=c1cc(O)nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000013128944 558519568 /nfs/dbraw/zinc/51/95/68/558519568.db2.gz FOTWUTYFDUUQIG-UHFFFAOYSA-N 0 0 413.713 5.191 50 0 HKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000013129087 560800600 /nfs/dbraw/zinc/80/06/00/560800600.db2.gz BNWPIAKQMXDNFS-MDWZMJQESA-N 0 0 419.406 5.609 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000013129105 558519591 /nfs/dbraw/zinc/51/95/91/558519591.db2.gz SKQLREQXZQLRQM-HDICACEKSA-N 0 0 412.624 5.497 50 0 HKAARN Clc1ccc(-n2c(SCc3nc4ccccc4o3)nnc2-c2ccccc2)cc1 ZINC000013129264 558519545 /nfs/dbraw/zinc/51/95/45/558519545.db2.gz WEAPRXGSZKXABC-UHFFFAOYSA-N 0 0 418.909 6.021 50 0 HKAARN COc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccccc2)nn3-c2ccccc2)c1 ZINC000013129390 569211367 /nfs/dbraw/zinc/21/13/67/569211367.db2.gz XAUPCMLTVKIRGY-UHFFFAOYSA-N 0 0 421.456 5.033 50 0 HKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)c2C1 ZINC000013129720 569211418 /nfs/dbraw/zinc/21/14/18/569211418.db2.gz QUVGFMWAYPYZBA-QGZVFWFLSA-N 0 0 424.500 5.308 50 0 HKAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)c2C1 ZINC000013129721 569211392 /nfs/dbraw/zinc/21/13/92/569211392.db2.gz QUVGFMWAYPYZBA-KRWDZBQOSA-N 0 0 424.500 5.308 50 0 HKAARN Clc1ccccc1CNc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3 ZINC000013129736 558519818 /nfs/dbraw/zinc/51/98/18/558519818.db2.gz JZBLGAUHKHIWNZ-UHFFFAOYSA-N 0 0 402.881 5.939 50 0 HKAARN COc1ccc(C(C)=O)cc1COC(=O)c1oc2ccc(Br)cc2c1C ZINC000013129779 558519810 /nfs/dbraw/zinc/51/98/10/558519810.db2.gz BCTNZWVTUJQWLY-UHFFFAOYSA-N 0 0 417.255 5.072 50 0 HKAARN Cc1ccccc1-n1nnnc1Sc1nc(C)nc2scc(-c3cccs3)c21 ZINC000013130193 558519896 /nfs/dbraw/zinc/51/98/96/558519896.db2.gz RCIMQLGPNRBDAD-UHFFFAOYSA-N 0 0 422.564 5.164 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(Nc3ccccc3)sc2s1 ZINC000013130416 558519894 /nfs/dbraw/zinc/51/98/94/558519894.db2.gz ZJLWITOHZJHQHM-UHFFFAOYSA-N 0 0 420.346 6.661 50 0 HKAARN CSc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C)c2)cc1 ZINC000013130462 558519806 /nfs/dbraw/zinc/51/98/06/558519806.db2.gz JCCANLTXZZMLLE-KQWNVCNZSA-N 0 0 416.546 5.435 50 0 HKAARN O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000013131195 569211350 /nfs/dbraw/zinc/21/13/50/569211350.db2.gz FPINWQMJULYBCO-UHFFFAOYSA-N 0 0 418.827 5.703 50 0 HKAARN O=C(CSc1ccccc1Cl)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013131655 558520139 /nfs/dbraw/zinc/52/01/39/558520139.db2.gz QQPCWOLPDGMUGQ-UHFFFAOYSA-N 0 0 419.937 5.924 50 0 HKAARN O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(Cl)cc1 ZINC000013132188 569211568 /nfs/dbraw/zinc/21/15/68/569211568.db2.gz NDNZTQIZLDBKFZ-UHFFFAOYSA-N 0 0 420.848 5.705 50 0 HKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000013132411 558520310 /nfs/dbraw/zinc/52/03/10/558520310.db2.gz HOCMUOBLOHZWPG-UZLBHIALSA-N 0 0 415.559 5.145 50 0 HKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000013132412 558520361 /nfs/dbraw/zinc/52/03/61/558520361.db2.gz HOCMUOBLOHZWPG-OXQOHEQNSA-N 0 0 415.559 5.145 50 0 HKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000013132413 558520335 /nfs/dbraw/zinc/52/03/35/558520335.db2.gz HOCMUOBLOHZWPG-JXFKEZNVSA-N 0 0 415.559 5.145 50 0 HKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000013132414 558520304 /nfs/dbraw/zinc/52/03/04/558520304.db2.gz HOCMUOBLOHZWPG-OXJNMPFZSA-N 0 0 415.559 5.145 50 0 HKAARN Cc1cccc(Oc2ccccc2NC(=O)COc2ccc(Nc3ccccc3)cc2)c1 ZINC000013133781 569211556 /nfs/dbraw/zinc/21/15/56/569211556.db2.gz PTZUSXJIQNQGER-UHFFFAOYSA-N 0 0 424.500 6.548 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1C(F)(F)F ZINC000013133974 558520574 /nfs/dbraw/zinc/52/05/74/558520574.db2.gz UWKOQRVOLGILJY-UHFFFAOYSA-N 0 0 413.421 5.241 50 0 HKAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000013134050 569211574 /nfs/dbraw/zinc/21/15/74/569211574.db2.gz FPZRVSAMYARMRJ-UHFFFAOYSA-N 0 0 419.937 5.871 50 0 HKAARN Cc1ccc(Nc2nc(CSc3ccc(Cl)c(C(F)(F)F)c3)cs2)cc1 ZINC000013134056 569211522 /nfs/dbraw/zinc/21/15/22/569211522.db2.gz VXYUFPJBUMSIAR-UHFFFAOYSA-N 0 0 414.905 7.160 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(Oc2ccccc2)cc1 ZINC000013134094 558520484 /nfs/dbraw/zinc/52/04/84/558520484.db2.gz UESJXBYJTWODAZ-UHFFFAOYSA-N 0 0 420.921 6.432 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000013134158 558520551 /nfs/dbraw/zinc/52/05/51/558520551.db2.gz SOFOWRSWHWYNGQ-JOCHJYFZSA-N 0 0 422.347 6.647 50 0 HKAARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000013134159 558520493 /nfs/dbraw/zinc/52/04/93/558520493.db2.gz SOFOWRSWHWYNGQ-QFIPXVFZSA-N 0 0 422.347 6.647 50 0 HKAARN FC(F)(F)c1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000013134377 558520792 /nfs/dbraw/zinc/52/07/92/558520792.db2.gz GDKLEEBNUFDBKG-UHFFFAOYSA-N 0 0 422.859 6.960 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000013134573 569211524 /nfs/dbraw/zinc/21/15/24/569211524.db2.gz MGSGUEMDOOCBGE-UHFFFAOYSA-N 0 0 424.529 5.699 50 0 HKAARN Cc1ccccc1NC(=O)COc1cc2ccccc2cc1C(=O)NCc1ccccc1 ZINC000013134837 558520785 /nfs/dbraw/zinc/52/07/85/558520785.db2.gz YHPSERRKUAZTDX-UHFFFAOYSA-N 0 0 424.500 5.096 50 0 HKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000013135073 558521028 /nfs/dbraw/zinc/52/10/28/558521028.db2.gz ORPPSGMEMVYJPF-UHFFFAOYSA-N 0 0 420.321 5.257 50 0 HKAARN CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000013135622 558520940 /nfs/dbraw/zinc/52/09/40/558520940.db2.gz CDGMJSSKRJFZOY-UHFFFAOYSA-N 0 0 408.937 5.046 50 0 aggregator HKAARN CC[C@@H](C)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013135831 132454414 /nfs/dbraw/zinc/45/44/14/132454414.db2.gz MKYIUZUTYXHLJB-OAHLLOKOSA-N 0 0 405.464 5.469 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013135832 558521241 /nfs/dbraw/zinc/52/12/41/558521241.db2.gz MKYIUZUTYXHLJB-HNNXBMFYSA-N 0 0 405.464 5.469 50 0 HKAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 ZINC000013137474 558521540 /nfs/dbraw/zinc/52/15/40/558521540.db2.gz MYOQMCZJYNEKIU-GFCCVEGCSA-N 0 0 421.353 5.217 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)c1 ZINC000013137811 569409839 /nfs/dbraw/zinc/40/98/39/569409839.db2.gz CDTDYTIROYTOCX-KCYZZUKISA-N 0 0 404.605 5.012 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)c1 ZINC000013137812 569409843 /nfs/dbraw/zinc/40/98/43/569409843.db2.gz CDTDYTIROYTOCX-KLZNWCGWSA-N 0 0 404.605 5.012 50 0 HKAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N3C[C@H](C)C[C@H](C)C3)s2)cc1 ZINC000013138014 569409844 /nfs/dbraw/zinc/40/98/44/569409844.db2.gz PLBZUZVYVVMRTL-GASCZTMLSA-N 0 0 404.605 5.002 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Oc2ccc(Oc3ccccc3)cc2)n1 ZINC000013138219 569409861 /nfs/dbraw/zinc/40/98/61/569409861.db2.gz ADYOLFMOJWFHOA-UHFFFAOYSA-N 0 0 416.527 7.313 50 0 HKAARN Cc1sc2nc(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)n(C(C)C)c(=O)c2c1C ZINC000013138257 558521729 /nfs/dbraw/zinc/52/17/29/558521729.db2.gz IHWPVYWCDVGOLF-LBPRGKRZSA-N 0 0 422.522 5.297 50 0 HKAARN Cc1sc2nc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)n(C(C)C)c(=O)c2c1C ZINC000013138259 558521713 /nfs/dbraw/zinc/52/17/13/558521713.db2.gz IHWPVYWCDVGOLF-GFCCVEGCSA-N 0 0 422.522 5.297 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 ZINC000013138513 569409849 /nfs/dbraw/zinc/40/98/49/569409849.db2.gz BYPGCWSTNHDOBX-DNVCBOLYSA-N 0 0 424.595 5.265 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 ZINC000013138523 569409854 /nfs/dbraw/zinc/40/98/54/569409854.db2.gz BYPGCWSTNHDOBX-HNAYVOBHSA-N 0 0 424.595 5.265 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000013138530 569409819 /nfs/dbraw/zinc/40/98/19/569409819.db2.gz BYPGCWSTNHDOBX-BEFAXECRSA-N 0 0 424.595 5.265 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000013138536 569409810 /nfs/dbraw/zinc/40/98/10/569409810.db2.gz BYPGCWSTNHDOBX-KXBFYZLASA-N 0 0 424.595 5.265 50 0 HKAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1 ZINC000013139060 569389642 /nfs/dbraw/zinc/38/96/42/569389642.db2.gz DAEGUDVXADWEEG-HXUWFJFHSA-N 0 0 401.510 5.266 50 0 HKAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1 ZINC000013139061 569389635 /nfs/dbraw/zinc/38/96/35/569389635.db2.gz DAEGUDVXADWEEG-FQEVSTJZSA-N 0 0 401.510 5.266 50 0 HKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 ZINC000013139719 558521727 /nfs/dbraw/zinc/52/17/27/558521727.db2.gz LKZMKXQIYSQRFC-AOOOYVTPSA-N 0 0 415.125 5.076 50 0 HKAARN CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)s1 ZINC000013140989 569211501 /nfs/dbraw/zinc/21/15/01/569211501.db2.gz HHHXBKYQXFHYOK-UHFFFAOYSA-N 0 0 421.551 5.064 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000013140996 558522002 /nfs/dbraw/zinc/52/20/02/558522002.db2.gz SSFRRRFZIGJQPC-UHFFFAOYSA-N 0 0 415.927 5.644 50 0 HKAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1cccc(F)c1 ZINC000013141087 558521992 /nfs/dbraw/zinc/52/19/92/558521992.db2.gz JXNNWCOGUFUWQZ-UHFFFAOYSA-N 0 0 419.890 5.475 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 ZINC000013141148 558522118 /nfs/dbraw/zinc/52/21/18/558522118.db2.gz KORUOAJEQFJSDI-UHFFFAOYSA-N 0 0 423.925 5.563 50 0 HKAARN CCOc1c(Br)cc(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC ZINC000013141456 558522172 /nfs/dbraw/zinc/52/21/72/558522172.db2.gz BXBKCTIDYPCPPC-UHFFFAOYSA-N 0 0 421.316 5.027 50 0 HKAARN CCc1nnc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)s1 ZINC000013141504 559276479 /nfs/dbraw/zinc/27/64/79/559276479.db2.gz LCDFNAZCGPFKRQ-UHFFFAOYSA-N 0 0 420.563 5.381 50 0 HKAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cc(Br)ccc1Cl ZINC000013141613 558522136 /nfs/dbraw/zinc/52/21/36/558522136.db2.gz LIJVFLGYJDTDAV-UHFFFAOYSA-N 0 0 415.670 5.553 50 0 HKAARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)s1 ZINC000013141775 558522339 /nfs/dbraw/zinc/52/23/39/558522339.db2.gz YVMQWYBVBZPUTD-UHFFFAOYSA-N 0 0 417.939 5.657 50 0 HKAARN O=C(CCCSc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013141923 569409995 /nfs/dbraw/zinc/40/99/95/569409995.db2.gz UFUGUSGJFKSWPV-UHFFFAOYSA-N 0 0 424.488 5.053 50 0 HKAARN O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)c1ccccc1 ZINC000013145599 558522890 /nfs/dbraw/zinc/52/28/90/558522890.db2.gz ZISXLNOPJUMCGK-UHFFFAOYSA-N 0 0 421.305 5.047 50 0 HKAARN O=C(c1ccccc1)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000013145883 558522878 /nfs/dbraw/zinc/52/28/78/558522878.db2.gz MQIINXYXGRLFTO-QHCPKHFHSA-N 0 0 422.513 5.532 50 0 HKAARN O=C(c1ccccc1)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000013145884 558522949 /nfs/dbraw/zinc/52/29/49/558522949.db2.gz MQIINXYXGRLFTO-HSZRJFAPSA-N 0 0 422.513 5.532 50 0 HKAARN CCc1ccc2nc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C43SCCS3)sc2c1 ZINC000013145906 569409978 /nfs/dbraw/zinc/40/99/78/569409978.db2.gz GAPMPMGVUSAITA-MQVJKMGUSA-N 0 0 418.653 5.800 50 0 HKAARN COc1ccc(OCCCOC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000013146069 569409946 /nfs/dbraw/zinc/40/99/46/569409946.db2.gz HESHTEMGOMNTSG-UHFFFAOYSA-N 0 0 422.506 5.030 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CCCC2 ZINC000013146159 569409954 /nfs/dbraw/zinc/40/99/54/569409954.db2.gz NTFNZDDVHFTDNB-GFCCVEGCSA-N 0 0 423.987 5.576 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CCCC2 ZINC000013146160 569409942 /nfs/dbraw/zinc/40/99/42/569409942.db2.gz NTFNZDDVHFTDNB-LBPRGKRZSA-N 0 0 423.987 5.576 50 0 HKAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(OC)c1 ZINC000013146164 569409962 /nfs/dbraw/zinc/40/99/62/569409962.db2.gz XATAOOHAYHHFQY-MTJSOVHGSA-N 0 0 405.475 5.094 50 0 HKAARN Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C(F)(F)F ZINC000013146416 558523229 /nfs/dbraw/zinc/52/32/29/558523229.db2.gz CCKYNFDBVYMMFB-QGZVFWFLSA-N 0 0 416.428 5.032 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1 ZINC000013146425 558523233 /nfs/dbraw/zinc/52/32/33/558523233.db2.gz WTGHAJDFSUHPLD-UHFFFAOYSA-N 0 0 420.490 5.351 50 0 HKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 ZINC000013147923 569410095 /nfs/dbraw/zinc/41/00/95/569410095.db2.gz HADMUNZNBLUMLJ-UHFFFAOYSA-N 0 0 419.937 5.622 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N1c3ccccc3C=CC1=N2 ZINC000013148089 558523417 /nfs/dbraw/zinc/52/34/17/558523417.db2.gz DZHATFOWBDDVNM-VWLOTQADSA-N 0 0 422.919 6.501 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1c3ccccc3C=CC1=N2 ZINC000013148090 558523397 /nfs/dbraw/zinc/52/33/97/558523397.db2.gz DZHATFOWBDDVNM-RUZDIDTESA-N 0 0 422.919 6.501 50 0 HKAARN O=C(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(F)cc1F ZINC000013148157 569410093 /nfs/dbraw/zinc/41/00/93/569410093.db2.gz DKNDMXJQVLQOPE-UHFFFAOYSA-N 0 0 414.864 5.949 50 0 HKAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3Sc4ccccc4N32)cc1 ZINC000013148280 569410065 /nfs/dbraw/zinc/41/00/65/569410065.db2.gz HZBZMBMXXRTUPL-HSZRJFAPSA-N 0 0 424.529 5.892 50 0 HKAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3Sc4ccccc4N32)cc1 ZINC000013148281 569410083 /nfs/dbraw/zinc/41/00/83/569410083.db2.gz HZBZMBMXXRTUPL-QHCPKHFHSA-N 0 0 424.529 5.892 50 0 HKAARN C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013148549 569410085 /nfs/dbraw/zinc/41/00/85/569410085.db2.gz UECCNJBZJPJZLE-GFCCVEGCSA-N 0 0 421.802 5.696 50 0 HKAARN C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013148550 569410079 /nfs/dbraw/zinc/41/00/79/569410079.db2.gz UECCNJBZJPJZLE-LBPRGKRZSA-N 0 0 421.802 5.696 50 0 HKAARN Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)cc(C)c2c1 ZINC000013148581 569410089 /nfs/dbraw/zinc/41/00/89/569410089.db2.gz VDEGULHITWMGCH-UHFFFAOYSA-N 0 0 420.365 5.901 50 0 HKAARN Cc1ccc(Nc2nc(CSc3ncnc4sc5c(c43)CCCC5)cs2)cc1 ZINC000013148720 558523378 /nfs/dbraw/zinc/52/33/78/558523378.db2.gz XYOBMLHJWFHTDA-UHFFFAOYSA-N 0 0 424.620 6.371 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3F)c2n1 ZINC000013148802 558523622 /nfs/dbraw/zinc/52/36/22/558523622.db2.gz NSUVYEYYIGCCSG-UHFFFAOYSA-N 0 0 413.663 5.660 50 0 HKAARN CCOc1ccc(-c2nc(NC(=O)c3cccnc3SC(F)F)sc2C)cc1 ZINC000013148906 558523645 /nfs/dbraw/zinc/52/36/45/558523645.db2.gz GFZZBUBINXVWKY-UHFFFAOYSA-N 0 0 421.494 5.479 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(F)c(Cl)c3)c2n1 ZINC000013149142 569410084 /nfs/dbraw/zinc/41/00/84/569410084.db2.gz IRKZWAAJRQKVBH-UHFFFAOYSA-N 0 0 413.663 5.660 50 0 HKAARN CC(C)(C)c1ccc(OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000013149218 558523658 /nfs/dbraw/zinc/52/36/58/558523658.db2.gz CLQWJNZZJTWJDQ-UHFFFAOYSA-N 0 0 404.941 6.615 50 0 HKAARN Cc1noc(C)c1CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000013149370 558523673 /nfs/dbraw/zinc/52/36/73/558523673.db2.gz OTRYZAXGZYQAGG-UHFFFAOYSA-N 0 0 424.957 5.836 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1csc(-c3ccccc3)n1)n2CC ZINC000013149706 558523633 /nfs/dbraw/zinc/52/36/33/558523633.db2.gz MEDPUOMTIMJDTR-UHFFFAOYSA-N 0 0 423.563 5.649 50 0 HKAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CSc1nc2ccccc2o1 ZINC000013149895 558523796 /nfs/dbraw/zinc/52/37/96/558523796.db2.gz HBZXZFWXXJNNNQ-UHFFFAOYSA-N 0 0 418.474 5.144 50 0 HKAARN O=C(OCc1cccc2ccccc21)C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000013150388 558523794 /nfs/dbraw/zinc/52/37/94/558523794.db2.gz UBQLWAXYWQQIRA-UHFFFAOYSA-N 0 0 415.558 6.686 50 0 HKAARN COc1cc2c(cc1NC(=O)CSc1nc3cc(C)ccc3[nH]1)oc1ccccc12 ZINC000013153788 558524310 /nfs/dbraw/zinc/52/43/10/558524310.db2.gz ARQOTDOAWOEAFK-UHFFFAOYSA-N 0 0 417.490 5.510 50 0 aggregator HKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 ZINC000013161949 558524586 /nfs/dbraw/zinc/52/45/86/558524586.db2.gz JTLQEUBXYJSTDF-LCUIJRPUSA-N 0 0 414.599 7.345 50 0 HKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1C)C(C)(C)N2C ZINC000013162034 526135203 /nfs/dbraw/zinc/13/52/03/526135203.db2.gz NZAWPOKSBBNWHD-ATJXCDBQSA-N 0 0 401.000 6.664 50 0 HKAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)c(C)n1CCc1cccs1 ZINC000013163266 569211705 /nfs/dbraw/zinc/21/17/05/569211705.db2.gz ZELDTMFNWFQMKE-UHFFFAOYSA-N 0 0 422.579 5.169 50 0 HKAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1cccs1 ZINC000013163870 526000975 /nfs/dbraw/zinc/00/09/75/526000975.db2.gz ADQVGFYLANVJRP-MRXNPFEDSA-N 0 0 420.559 5.867 50 0 HKAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1cccs1 ZINC000013163871 558524706 /nfs/dbraw/zinc/52/47/06/558524706.db2.gz ADQVGFYLANVJRP-INIZCTEOSA-N 0 0 420.559 5.867 50 0 HKAARN COc1ccc(-c2nnc(SCc3csc(C)n3)n2CCc2ccccc2)cc1 ZINC000013164105 558524702 /nfs/dbraw/zinc/52/47/02/558524702.db2.gz DGLKJNKTLHLAES-UHFFFAOYSA-N 0 0 422.579 5.254 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1)c1cccs1 ZINC000013164284 558524883 /nfs/dbraw/zinc/52/48/83/558524883.db2.gz AXZMEXDGADWWQX-UHFFFAOYSA-N 0 0 420.490 5.294 50 0 HKAARN C[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164320 558524869 /nfs/dbraw/zinc/52/48/69/558524869.db2.gz SZFCEKCSMKSNRQ-IQMFZBJNSA-N 0 0 422.575 5.381 50 0 HKAARN C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 ZINC000013164321 524960389 /nfs/dbraw/zinc/96/03/89/524960389.db2.gz SZFCEKCSMKSNRQ-NPMXOYFQSA-N 0 0 422.575 5.381 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(C3CCCCC3)o2)o1 ZINC000013164546 569410214 /nfs/dbraw/zinc/41/02/14/569410214.db2.gz IYIFIIKZFYNZKW-UHFFFAOYSA-N 0 0 423.498 5.423 50 0 HKAARN Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000013164593 558524866 /nfs/dbraw/zinc/52/48/66/558524866.db2.gz DWQRLSUZCBRTQI-UHFFFAOYSA-N 0 0 424.500 5.402 50 0 HKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000013164602 558524997 /nfs/dbraw/zinc/52/49/97/558524997.db2.gz MMRNQUVMZOQNHD-UHFFFAOYSA-N 0 0 424.957 6.030 50 0 HKAARN Cc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 ZINC000013164954 569410191 /nfs/dbraw/zinc/41/01/91/569410191.db2.gz HCPFTQHPKIYJSS-UHFFFAOYSA-N 0 0 424.620 5.990 50 0 HKAARN COc1ccccc1C1=N/C(=C\c2ccc(-c3ccccc3Br)o2)C(=O)O1 ZINC000013165102 569211726 /nfs/dbraw/zinc/21/17/26/569211726.db2.gz CWFXFWHCHAPLEB-ATVHPVEESA-N 0 0 424.250 5.062 50 0 HKAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(C)cc(-c2ccccc2)n1 ZINC000013165309 558525215 /nfs/dbraw/zinc/52/52/15/558525215.db2.gz GVWHXWGCOQMIRA-UHFFFAOYSA-N 0 0 417.490 5.132 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)c2)cs1 ZINC000013165351 558525259 /nfs/dbraw/zinc/52/52/59/558525259.db2.gz GHNWOVHOTXVYCN-UHFFFAOYSA-N 0 0 419.554 5.820 50 0 HKAARN C[C@@H](Sc1ncnc2sccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013165366 569211741 /nfs/dbraw/zinc/21/17/41/569211741.db2.gz MBTJJCMPNGPVRK-OAHLLOKOSA-N 0 0 421.547 5.390 50 0 HKAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000013207087 558525469 /nfs/dbraw/zinc/52/54/69/558525469.db2.gz YPKKHNJWQAOVJN-HSZRJFAPSA-N 0 0 410.473 5.057 50 0 HKAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000013207091 558525438 /nfs/dbraw/zinc/52/54/38/558525438.db2.gz YPKKHNJWQAOVJN-QHCPKHFHSA-N 0 0 410.473 5.057 50 0 HKAARN COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Cc2cccnc2)cc1 ZINC000013207245 558525648 /nfs/dbraw/zinc/52/56/48/558525648.db2.gz LJHQQLVCTPPKFU-LVWGJNHUSA-N 0 0 407.926 5.554 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)n3)c3ccccc3n2)c(OC)c1 ZINC000013208394 558525680 /nfs/dbraw/zinc/52/56/80/558525680.db2.gz MCZJXDZIIGZAOR-UHFFFAOYSA-N 0 0 413.477 5.183 50 0 HKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)nc1 ZINC000013208401 558525639 /nfs/dbraw/zinc/52/56/39/558525639.db2.gz YBXMRMBLDALTFR-UHFFFAOYSA-N 0 0 408.288 6.164 50 0 HKAARN Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000013208717 558525687 /nfs/dbraw/zinc/52/56/87/558525687.db2.gz SCOOEICZZQAXBL-UHFFFAOYSA-N 0 0 415.294 5.845 50 0 HKAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000013211233 558525649 /nfs/dbraw/zinc/52/56/49/558525649.db2.gz DWWCMQRLIJGQRF-UHFFFAOYSA-N 0 0 409.898 5.739 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000013213820 558525988 /nfs/dbraw/zinc/52/59/88/558525988.db2.gz LHYMXWLJPVVZKC-JWQCQUIFSA-N 0 0 421.504 5.009 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000013213822 558525875 /nfs/dbraw/zinc/52/58/75/558525875.db2.gz LHYMXWLJPVVZKC-RPBOFIJWSA-N 0 0 421.504 5.009 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000013213824 558525936 /nfs/dbraw/zinc/52/59/36/558525936.db2.gz LHYMXWLJPVVZKC-LOSJGSFVSA-N 0 0 421.504 5.009 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000013213826 558525909 /nfs/dbraw/zinc/52/59/09/558525909.db2.gz LHYMXWLJPVVZKC-DQEYMECFSA-N 0 0 421.504 5.009 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccccn1 ZINC000013227858 568998611 /nfs/dbraw/zinc/99/86/11/568998611.db2.gz MXHHPIZIGHWCOS-XMMPIXPASA-N 0 0 416.417 6.543 50 0 HKAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1ccccn1 ZINC000013227860 568998665 /nfs/dbraw/zinc/99/86/65/568998665.db2.gz MXHHPIZIGHWCOS-DEOSSOPVSA-N 0 0 416.417 6.543 50 0 HKAARN CCOCCCNc1nc(SC)nc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000013228233 558527184 /nfs/dbraw/zinc/52/71/84/558527184.db2.gz FHTYFHRUAHIUGU-UHFFFAOYSA-N 0 0 416.616 5.412 50 0 HKAARN CC(C)c1nc2sc3c(ncnc3NCc3cccnc3)c2c2c1COC(C)(C)C2 ZINC000013228249 558527229 /nfs/dbraw/zinc/52/72/29/558527229.db2.gz KSQILKPDPCNXJW-UHFFFAOYSA-N 0 0 419.554 5.221 50 0 HKAARN CCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000013228251 558527220 /nfs/dbraw/zinc/52/72/20/558527220.db2.gz HRYWXSIPCXJGGC-UHFFFAOYSA-N 0 0 419.619 7.068 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2ccccn2)n1)C[C@](C)(CC)OC3 ZINC000013228252 558527191 /nfs/dbraw/zinc/52/71/91/558527191.db2.gz JJAAUCPXLZVWEM-NRFANRHFSA-N 0 0 414.600 5.442 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2ccccn2)n1)C[C@@](C)(CC)OC3 ZINC000013228253 558527226 /nfs/dbraw/zinc/52/72/26/558527226.db2.gz JJAAUCPXLZVWEM-OAQYLSRUSA-N 0 0 414.600 5.442 50 0 HKAARN CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccn4)c23)CO1 ZINC000013228255 558527168 /nfs/dbraw/zinc/52/71/68/558527168.db2.gz NMNUOOSCENFFLV-OAQYLSRUSA-N 0 0 414.600 5.440 50 0 HKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccn4)c23)CO1 ZINC000013228256 558527234 /nfs/dbraw/zinc/52/72/34/558527234.db2.gz NMNUOOSCENFFLV-NRFANRHFSA-N 0 0 414.600 5.440 50 0 HKAARN CCCSc1nc2sc3c(c2c(NCc2ccccn2)n1)CC(C)(C)OC3 ZINC000013228269 558527508 /nfs/dbraw/zinc/52/75/08/558527508.db2.gz KOSRZTNKLFAWCX-UHFFFAOYSA-N 0 0 400.573 5.052 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000013228270 558527501 /nfs/dbraw/zinc/52/75/01/558527501.db2.gz POBASQDFOMJYLC-HSZRJFAPSA-N 0 0 410.473 5.370 50 0 HKAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000013228271 558527505 /nfs/dbraw/zinc/52/75/05/558527505.db2.gz POBASQDFOMJYLC-QHCPKHFHSA-N 0 0 410.473 5.370 50 0 HKAARN CC(C)c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000013228318 569410277 /nfs/dbraw/zinc/41/02/77/569410277.db2.gz QETVYGOMWHPRSW-JOCHJYFZSA-N 0 0 400.522 5.190 50 0 HKAARN CC(C)c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000013228320 569410316 /nfs/dbraw/zinc/41/03/16/569410316.db2.gz QETVYGOMWHPRSW-QFIPXVFZSA-N 0 0 400.522 5.190 50 0 HKAARN O=C(c1cc(F)cc(F)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000013228758 569251061 /nfs/dbraw/zinc/25/10/61/569251061.db2.gz AEBQMUWJLXHSBA-UHFFFAOYSA-N 0 0 417.843 5.253 50 0 HKAARN Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(-c2nc3ccccc3[nH]2)c1 ZINC000013230284 558527499 /nfs/dbraw/zinc/52/74/99/558527499.db2.gz PVKNHVAUFHESLS-UHFFFAOYSA-N 0 0 403.696 6.769 50 0 HKAARN Clc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000013230286 558527413 /nfs/dbraw/zinc/52/74/13/558527413.db2.gz YFSHAAADWQTEJI-UHFFFAOYSA-N 0 0 413.702 6.225 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](Sc1nc2ccccc2[nH]1)C(Cl)(Cl)Cl ZINC000013232953 558527464 /nfs/dbraw/zinc/52/74/64/558527464.db2.gz STEXEUWPOQSCPY-OAHLLOKOSA-N 0 0 414.745 5.090 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](Sc1nc2ccccc2[nH]1)C(Cl)(Cl)Cl ZINC000013232955 558527455 /nfs/dbraw/zinc/52/74/55/558527455.db2.gz STEXEUWPOQSCPY-HNNXBMFYSA-N 0 0 414.745 5.090 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000013233814 569251048 /nfs/dbraw/zinc/25/10/48/569251048.db2.gz VJOGRBUXSPJVMV-SANMLTNESA-N 0 0 409.533 6.304 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H](c1ccccc1)C1CCCCC1 ZINC000013233822 569251096 /nfs/dbraw/zinc/25/10/96/569251096.db2.gz VJOGRBUXSPJVMV-AREMUKBSSA-N 0 0 409.533 6.304 50 0 HKAARN O[C@H](COc1ccc2ccccc2c1)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000013233872 569410323 /nfs/dbraw/zinc/41/03/23/569410323.db2.gz MARYBIJRKLKUNW-QHCPKHFHSA-N 0 0 408.501 5.220 50 0 HKAARN O[C@@H](COc1ccc2ccccc2c1)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000013233890 569410334 /nfs/dbraw/zinc/41/03/34/569410334.db2.gz MARYBIJRKLKUNW-HSZRJFAPSA-N 0 0 408.501 5.220 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1 ZINC000013234236 558527691 /nfs/dbraw/zinc/52/76/91/558527691.db2.gz YPGRUTHBRPOJJB-UHFFFAOYSA-N 0 0 413.520 7.758 50 0 HKAARN CSCC[C@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013281384 558528630 /nfs/dbraw/zinc/52/86/30/558528630.db2.gz VJOKTHJPAQLUOI-IBGZPJMESA-N 0 0 421.591 5.370 50 0 HKAARN CSCC[C@@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013281385 558528654 /nfs/dbraw/zinc/52/86/54/558528654.db2.gz VJOKTHJPAQLUOI-LJQANCHMSA-N 0 0 421.591 5.370 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N[C@@H](C)c1ccncc1 ZINC000013281431 558528667 /nfs/dbraw/zinc/52/86/67/558528667.db2.gz YSCYUCQSRQDUKC-AWEZNQCLSA-N 0 0 411.552 5.034 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N[C@H](C)c1ccncc1 ZINC000013281432 558528604 /nfs/dbraw/zinc/52/86/04/558528604.db2.gz YSCYUCQSRQDUKC-CQSZACIVSA-N 0 0 411.552 5.034 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=S)N[C@H](C)c1ccncc1)CCCCCC2 ZINC000013281434 558528596 /nfs/dbraw/zinc/52/85/96/558528596.db2.gz UNCIDJRIZJHXAE-CQSZACIVSA-N 0 0 417.600 5.026 50 0 HKAARN Fc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1Cl ZINC000013281835 558528611 /nfs/dbraw/zinc/52/86/11/558528611.db2.gz RZNXZTSHOQDZKL-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN Fc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1Cl ZINC000013281836 558528636 /nfs/dbraw/zinc/52/86/36/558528636.db2.gz VPSAWWXRKNQHMW-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 ZINC000013281837 558528661 /nfs/dbraw/zinc/52/86/61/558528661.db2.gz NXTFLEWHULDMPX-UHFFFAOYSA-N 0 0 400.825 5.018 50 0 HKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 ZINC000013281839 558528898 /nfs/dbraw/zinc/52/88/98/558528898.db2.gz CWEVITITGNZCDV-UHFFFAOYSA-N 0 0 414.852 5.060 50 0 HKAARN Brc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 ZINC000013281841 558528881 /nfs/dbraw/zinc/52/88/81/558528881.db2.gz WZLVCISSPFGIIY-UHFFFAOYSA-N 0 0 407.296 5.460 50 0 HKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000013281844 558528884 /nfs/dbraw/zinc/52/88/84/558528884.db2.gz SIOFNYRWTMOTPW-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN Cc1ccc(CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCCC4)cc1 ZINC000013281917 558528849 /nfs/dbraw/zinc/52/88/49/558528849.db2.gz ZSWLPXHGSSPWCJ-UHFFFAOYSA-N 0 0 419.619 6.842 50 0 HKAARN Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCCC3 ZINC000013281919 558528913 /nfs/dbraw/zinc/52/89/13/558528913.db2.gz MVDJCSGIHNFXTD-UHFFFAOYSA-N 0 0 418.949 6.309 50 0 HKAARN Clc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 ZINC000013282003 558528902 /nfs/dbraw/zinc/52/89/02/558528902.db2.gz BVDYTHCPWBKIND-UHFFFAOYSA-N 0 0 405.288 6.002 50 0 HKAARN Brc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1 ZINC000013282005 558528893 /nfs/dbraw/zinc/52/88/93/558528893.db2.gz ZQICSWRZHDJREH-UHFFFAOYSA-N 0 0 405.255 5.050 50 0 HKAARN CCCCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000013282006 558528859 /nfs/dbraw/zinc/52/88/59/558528859.db2.gz MCFBEZVQALAACN-UHFFFAOYSA-N 0 0 413.587 5.390 50 0 HKAARN Clc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 ZINC000013282007 558528887 /nfs/dbraw/zinc/52/88/87/558528887.db2.gz QEXGIGGQXJVETE-UHFFFAOYSA-N 0 0 405.288 6.002 50 0 HKAARN CCCCCCSc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000013282011 558528927 /nfs/dbraw/zinc/52/89/27/558528927.db2.gz RRBCFVFPHDRSHU-UHFFFAOYSA-N 0 0 401.601 6.072 50 0 HKAARN Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5F)c(N)c42)CCC3)cc1 ZINC000013282013 558528870 /nfs/dbraw/zinc/52/88/70/558528870.db2.gz ODAQCQXUSDEQRH-UHFFFAOYSA-N 0 0 417.509 5.734 50 0 HKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc1 ZINC000013282014 558528854 /nfs/dbraw/zinc/52/88/54/558528854.db2.gz QEGVKXJUFRFIDX-UHFFFAOYSA-N 0 0 414.852 5.077 50 0 HKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 ZINC000013282017 558528872 /nfs/dbraw/zinc/52/88/72/558528872.db2.gz FKKWIWDLGIJJCI-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000013282028 558528867 /nfs/dbraw/zinc/52/88/67/558528867.db2.gz NYROGUHWTHZOIC-UHFFFAOYSA-N 0 0 417.512 6.309 50 0 HKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C(c1ccccc1)c1ccccc1 ZINC000013282349 558528895 /nfs/dbraw/zinc/52/88/95/558528895.db2.gz VYSQPYVNQMCHJJ-UHFFFAOYSA-N 0 0 405.457 5.660 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000013282385 558528900 /nfs/dbraw/zinc/52/89/00/558528900.db2.gz QMQIDJIRXPELEO-UHFFFAOYSA-N 0 0 407.857 5.584 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1 ZINC000013283333 569410444 /nfs/dbraw/zinc/41/04/44/569410444.db2.gz XIYMRYIFCNCMTO-UHFFFAOYSA-N 0 0 400.551 5.313 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1cccc(F)c1 ZINC000013283338 569410436 /nfs/dbraw/zinc/41/04/36/569410436.db2.gz GZANULUTOHCQGS-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)Nc1ccc(F)cc1 ZINC000013283339 569410370 /nfs/dbraw/zinc/41/03/70/569410370.db2.gz INTDAUSHMXZQJL-UHFFFAOYSA-N 0 0 418.541 5.452 50 0 HKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1cccnc1)C(=S)NC(C)(C)C ZINC000013283373 569410441 /nfs/dbraw/zinc/41/04/41/569410441.db2.gz NVPNAYBULRTYHU-UHFFFAOYSA-N 0 0 415.006 5.242 50 0 HKAARN Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccncc1)C(=S)NC(C)(C)C ZINC000013283384 569410428 /nfs/dbraw/zinc/41/04/28/569410428.db2.gz MKQHLRILEJRJES-UHFFFAOYSA-N 0 0 415.006 5.242 50 0 HKAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000013284019 569410421 /nfs/dbraw/zinc/41/04/21/569410421.db2.gz YCYMBBOJTXMSOD-UHFFFAOYSA-N 0 0 421.444 5.119 50 0 HKAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000013284021 569410367 /nfs/dbraw/zinc/41/03/67/569410367.db2.gz MMOGNDHLZNHBET-UHFFFAOYSA-N 0 0 421.444 5.119 50 0 HKAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000013284028 569410381 /nfs/dbraw/zinc/41/03/81/569410381.db2.gz AOQNUFJZRIZYJK-UHFFFAOYSA-N 0 0 421.444 5.021 50 0 HKAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000013284032 569410483 /nfs/dbraw/zinc/41/04/83/569410483.db2.gz OLXGXFYXBSHBIK-UHFFFAOYSA-N 0 0 421.444 5.021 50 0 HKAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000013284033 569410533 /nfs/dbraw/zinc/41/05/33/569410533.db2.gz FCOOVFRDZWLYAP-UHFFFAOYSA-N 0 0 422.337 5.309 50 0 HKAARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000013284036 569410535 /nfs/dbraw/zinc/41/05/35/569410535.db2.gz JJRDTDKWRZHVJR-UHFFFAOYSA-N 0 0 422.735 5.019 50 0 HKAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000013284040 569410523 /nfs/dbraw/zinc/41/05/23/569410523.db2.gz HYUPPBCXHUNYFH-UHFFFAOYSA-N 0 0 422.735 5.019 50 0 HKAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013284042 569410556 /nfs/dbraw/zinc/41/05/56/569410556.db2.gz GJPMMRWNMPTKPS-UHFFFAOYSA-N 0 0 412.729 5.563 50 0 HKAARN CC(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000013284089 558529071 /nfs/dbraw/zinc/52/90/71/558529071.db2.gz STZOQOMJHKPIDR-UHFFFAOYSA-N 0 0 407.344 7.841 50 0 HKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000013284418 569410500 /nfs/dbraw/zinc/41/05/00/569410500.db2.gz HXTAHZCYGKCMSJ-JZXOWHBKSA-N 0 0 424.570 5.106 50 0 HKAARN CCCCCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000013284486 558529132 /nfs/dbraw/zinc/52/91/32/558529132.db2.gz XEHLOWNVCGZGDX-UHFFFAOYSA-N 0 0 401.601 6.072 50 0 HKAARN c1ccc(CNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 ZINC000013284499 558529178 /nfs/dbraw/zinc/52/91/78/558529178.db2.gz TZSVMRHEODKVDI-UHFFFAOYSA-N 0 0 408.530 6.007 50 0 HKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(F)c4C)sc3n2)c1 ZINC000013284505 558529121 /nfs/dbraw/zinc/52/91/21/558529121.db2.gz QYJWZJGBCUVKBE-UHFFFAOYSA-N 0 0 407.470 5.254 50 0 HKAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(F)ccc4F)sc3n2)c1 ZINC000013284507 558529114 /nfs/dbraw/zinc/52/91/14/558529114.db2.gz LDXYNAPEQDSWDN-UHFFFAOYSA-N 0 0 411.433 5.085 50 0 HKAARN CCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000013284515 558529154 /nfs/dbraw/zinc/52/91/54/558529154.db2.gz WONQKZXVNOUTIP-UHFFFAOYSA-N 0 0 415.628 6.326 50 0 HKAARN CCc1c(C)nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c1C ZINC000013284522 558529112 /nfs/dbraw/zinc/52/91/12/558529112.db2.gz BCQMOFAOSQLXEH-UHFFFAOYSA-N 0 0 404.333 5.073 50 0 HKAARN COc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013284537 558529138 /nfs/dbraw/zinc/52/91/38/558529138.db2.gz QFUSDCKWHIYOHD-UHFFFAOYSA-N 0 0 405.295 6.182 50 0 HKAARN Clc1cccc(-c2[nH]c(-c3cccc4ccccc43)nc2-c2ccccc2)c1Cl ZINC000013284540 558529096 /nfs/dbraw/zinc/52/90/96/558529096.db2.gz GPRFZQZEWNZXKX-UHFFFAOYSA-N 0 0 415.323 7.871 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c(OC)c1C ZINC000013284542 558529123 /nfs/dbraw/zinc/52/91/23/558529123.db2.gz PFQPCBJZZNSMGC-UHFFFAOYSA-N 0 0 404.897 6.390 50 0 HKAARN Cc1ccc(C)c(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)c1 ZINC000013284558 558529157 /nfs/dbraw/zinc/52/91/57/558529157.db2.gz HZRABNTZMRCGKL-UHFFFAOYSA-N 0 0 403.323 6.790 50 0 HKAARN Clc1cccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)c1Cl ZINC000013284562 558529083 /nfs/dbraw/zinc/52/90/83/558529083.db2.gz XJYQVPVFZIDDJH-UHFFFAOYSA-N 0 0 404.300 7.199 50 0 HKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc2c1OCO2 ZINC000013284581 558529108 /nfs/dbraw/zinc/52/91/08/558529108.db2.gz XNVJEJGFPYYHPX-UHFFFAOYSA-N 0 0 404.853 5.801 50 0 HKAARN Cc1cc(Cl)c(OCCOc2cccc3ccc(C)nc32)c(Br)c1 ZINC000013285145 568999370 /nfs/dbraw/zinc/99/93/70/568999370.db2.gz RKBQISBDTVQPMN-UHFFFAOYSA-N 0 0 406.707 5.725 50 0 HKAARN COc1c(Cl)cc(S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl ZINC000013300897 558529398 /nfs/dbraw/zinc/52/93/98/558529398.db2.gz UJJFKLNXAPMXTA-UHFFFAOYSA-N 0 0 416.109 5.150 50 0 HKAARN C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000013301394 558529477 /nfs/dbraw/zinc/52/94/77/558529477.db2.gz UKFYKHQWIOTWNJ-UHFFFAOYSA-N 0 0 414.511 6.224 50 0 HKAARN O=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000013301594 558529635 /nfs/dbraw/zinc/52/96/35/558529635.db2.gz WQERDRGIXPQZAV-NRFANRHFSA-N 0 0 420.310 5.832 50 0 HKAARN O=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000013301597 558529705 /nfs/dbraw/zinc/52/97/05/558529705.db2.gz WQERDRGIXPQZAV-OAQYLSRUSA-N 0 0 420.310 5.832 50 0 HKAARN c1coc(Cn2c(-c3ccc(-c4ccccc4)cc3)cs/c2=N\c2ccccc2)c1 ZINC000013301743 558529626 /nfs/dbraw/zinc/52/96/26/558529626.db2.gz MUHRZRWAGAAHMR-RQZHXJHFSA-N 0 0 408.526 6.757 50 0 HKAARN Clc1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000013301923 569254752 /nfs/dbraw/zinc/25/47/52/569254752.db2.gz DXGIORKYIDHREV-IYBDPMFKSA-N 0 0 410.080 5.457 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000013303728 558529718 /nfs/dbraw/zinc/52/97/18/558529718.db2.gz YPHMEKSGVWTWTE-FHFXGYIMSA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000013303731 558529737 /nfs/dbraw/zinc/52/97/37/558529737.db2.gz YPHMEKSGVWTWTE-YYRZZOBCSA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000013303735 558529646 /nfs/dbraw/zinc/52/96/46/558529646.db2.gz YPHMEKSGVWTWTE-LPMGRZKESA-N 0 0 406.869 5.963 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000013303740 558529701 /nfs/dbraw/zinc/52/97/01/558529701.db2.gz YPHMEKSGVWTWTE-NSBIUJCASA-N 0 0 406.869 5.963 50 0 HKAARN O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000013305251 558529679 /nfs/dbraw/zinc/52/96/79/558529679.db2.gz YVQMHMZKLBYEDU-AWEZNQCLSA-N 0 0 412.531 5.532 50 0 HKAARN Brc1cccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)c1 ZINC000013305627 558529727 /nfs/dbraw/zinc/52/97/27/558529727.db2.gz YDBNCYSTLUMTID-GFOMBABLSA-N 0 0 415.381 6.593 50 0 HKAARN Brc1cccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)c1 ZINC000013305631 558529714 /nfs/dbraw/zinc/52/97/14/558529714.db2.gz YDBNCYSTLUMTID-BLGFXRMMSA-N 0 0 415.381 6.593 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000013306010 558529943 /nfs/dbraw/zinc/52/99/43/558529943.db2.gz FUEMMHBCHUEWAO-TXFWVUOCSA-N 0 0 401.465 5.236 50 0 HKAARN CSc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013320020 569254803 /nfs/dbraw/zinc/25/48/03/569254803.db2.gz VHKSHQJWQFRKGS-UHFFFAOYSA-N 0 0 410.370 5.065 50 0 HKAARN CSc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000013320029 569254759 /nfs/dbraw/zinc/25/47/59/569254759.db2.gz CVMGUUJZVUHVJC-UHFFFAOYSA-N 0 0 410.370 5.065 50 0 HKAARN CSc1cccc(NC(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000013320032 569254783 /nfs/dbraw/zinc/25/47/83/569254783.db2.gz KGQAQBOULMXLMS-UHFFFAOYSA-N 0 0 410.370 5.065 50 0 HKAARN Cc1ccc(CN2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000013320343 569254835 /nfs/dbraw/zinc/25/48/35/569254835.db2.gz WCYCUMOKVBWSKL-UHFFFAOYSA-N 0 0 411.855 5.017 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCCCCCCCC1 ZINC000013320416 569254776 /nfs/dbraw/zinc/25/47/76/569254776.db2.gz IEWPDFILXLGFQN-UHFFFAOYSA-N 0 0 404.904 7.154 50 0 HKAARN Cc1cccc(CN2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000013320465 569254787 /nfs/dbraw/zinc/25/47/87/569254787.db2.gz TVDRMPLYEQBPRA-UHFFFAOYSA-N 0 0 411.855 5.017 50 0 HKAARN CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013320472 569254750 /nfs/dbraw/zinc/25/47/50/569254750.db2.gz VKTNFDCLIXZTSC-TXTVKVCSSA-N 0 0 414.899 6.475 50 0 HKAARN CC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013320473 569254925 /nfs/dbraw/zinc/25/49/25/569254925.db2.gz VKTNFDCLIXZTSC-HLJROMEYSA-N 0 0 414.899 6.475 50 0 HKAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320475 569254939 /nfs/dbraw/zinc/25/49/39/569254939.db2.gz IOTLDEVFRGYBLT-UHFFFAOYSA-N 0 0 400.872 6.087 50 0 HKAARN CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320487 569254911 /nfs/dbraw/zinc/25/49/11/569254911.db2.gz VHNTXIKVHRSWRV-FZKQIMNGSA-N 0 0 412.883 7.145 50 0 HKAARN CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([C@@H](C)CC)cc1 ZINC000013320488 569254932 /nfs/dbraw/zinc/25/49/32/569254932.db2.gz VHNTXIKVHRSWRV-SCLBCKFNSA-N 0 0 412.883 7.145 50 0 HKAARN CC[C@@H](C)c1ccc([C@H](CC)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320489 569254875 /nfs/dbraw/zinc/25/48/75/569254875.db2.gz VHNTXIKVHRSWRV-ACJLOTCBSA-N 0 0 412.883 7.145 50 0 HKAARN CC[C@H](C)c1ccc([C@H](CC)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320490 569254897 /nfs/dbraw/zinc/25/48/97/569254897.db2.gz VHNTXIKVHRSWRV-UGSOOPFHSA-N 0 0 412.883 7.145 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013320504 569254896 /nfs/dbraw/zinc/25/48/96/569254896.db2.gz JSIXTYYROUAERE-UHFFFAOYSA-N 0 0 418.246 5.366 50 0 HKAARN Cc1ccccc1CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320509 569254820 /nfs/dbraw/zinc/25/48/20/569254820.db2.gz PFYHPVVOWKGMEO-UHFFFAOYSA-N 0 0 411.855 5.017 50 0 HKAARN Cc1cccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1C ZINC000013320550 132455094 /nfs/dbraw/zinc/45/50/94/132455094.db2.gz KBBGQSVARMBMAW-UHFFFAOYSA-N 0 0 411.855 5.330 50 0 HKAARN Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]2C)cc1 ZINC000013320557 569254854 /nfs/dbraw/zinc/25/48/54/569254854.db2.gz VHLKTDMRTONXKH-CQSZACIVSA-N 0 0 411.855 5.410 50 0 HKAARN Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]2C)cc1 ZINC000013320558 132455066 /nfs/dbraw/zinc/45/50/66/132455066.db2.gz VHLKTDMRTONXKH-AWEZNQCLSA-N 0 0 411.855 5.410 50 0 HKAARN Cc1cccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]2C)c1 ZINC000013320835 132455078 /nfs/dbraw/zinc/45/50/78/132455078.db2.gz VOGZGVXHSCSTJE-CQSZACIVSA-N 0 0 411.855 5.410 50 0 HKAARN Cc1cccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]2C)c1 ZINC000013320837 569254862 /nfs/dbraw/zinc/25/48/62/569254862.db2.gz VOGZGVXHSCSTJE-AWEZNQCLSA-N 0 0 411.855 5.410 50 0 HKAARN CCCCc1ccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)cc1 ZINC000013324490 569254945 /nfs/dbraw/zinc/25/49/45/569254945.db2.gz CZFCOONCONSVMJ-UHFFFAOYSA-N 0 0 415.965 5.041 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324717 569254990 /nfs/dbraw/zinc/25/49/90/569254990.db2.gz NKJMNYNDRAATGA-UHFFFAOYSA-N 0 0 404.750 5.058 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324726 569254997 /nfs/dbraw/zinc/25/49/97/569254997.db2.gz REPMTFJMXWZFPS-UHFFFAOYSA-N 0 0 404.750 5.058 50 0 HKAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325497 569255047 /nfs/dbraw/zinc/25/50/47/569255047.db2.gz BQUUHMQXQSNGLQ-UHFFFAOYSA-N 0 0 419.164 6.388 50 0 HKAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325753 569254979 /nfs/dbraw/zinc/25/49/79/569254979.db2.gz PVCIWBHBFNIUJK-UHFFFAOYSA-N 0 0 416.736 6.357 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(C(C)C)cc1 ZINC000013325763 569255025 /nfs/dbraw/zinc/25/50/25/569255025.db2.gz FLJGMKRSAZZKLZ-UHFFFAOYSA-N 0 0 416.388 6.143 50 0 HKAARN Cc1ccccc1CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1C ZINC000013325769 569254985 /nfs/dbraw/zinc/25/49/85/569254985.db2.gz ZNODFUIPYVVBDR-UHFFFAOYSA-N 0 0 422.381 5.734 50 0 HKAARN COc1ccc(Cl)cc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C ZINC000013325881 569254977 /nfs/dbraw/zinc/25/49/77/569254977.db2.gz RULMFJKYIRUAQC-UHFFFAOYSA-N 0 0 414.745 5.743 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)Nc1ccccc1Cl ZINC000013329375 569254989 /nfs/dbraw/zinc/25/49/89/569254989.db2.gz VYPBJDXDMNQYDC-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1 ZINC000013329377 569255001 /nfs/dbraw/zinc/25/50/01/569255001.db2.gz NZHAJSTZUPSNCF-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1C ZINC000013329381 569255035 /nfs/dbraw/zinc/25/50/35/569255035.db2.gz YSZRLFCGISIAMR-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN Cc1cc(C)cc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000013329383 569254998 /nfs/dbraw/zinc/25/49/98/569254998.db2.gz BNUDUBMOMPIISF-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000013329405 569255037 /nfs/dbraw/zinc/25/50/37/569255037.db2.gz ATGBJMGVNKVCKK-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000013329407 569255013 /nfs/dbraw/zinc/25/50/13/569255013.db2.gz GRSIJZCDAFIJNM-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2)cc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000013329419 569255009 /nfs/dbraw/zinc/25/50/09/569255009.db2.gz XXTIJCLNHBXLAZ-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000013329421 569255046 /nfs/dbraw/zinc/25/50/46/569255046.db2.gz MFVHOUGJLJOFIG-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000013329423 569254974 /nfs/dbraw/zinc/25/49/74/569254974.db2.gz BITDENXTDOLVDF-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000013329437 569254996 /nfs/dbraw/zinc/25/49/96/569254996.db2.gz GIOUJJWULKVQHD-UHFFFAOYSA-N 0 0 406.942 5.855 50 0 HKAARN COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1Cl ZINC000013329963 569255026 /nfs/dbraw/zinc/25/50/26/569255026.db2.gz KQKFWNRGFOKMDZ-VIFPVBQESA-N 0 0 403.693 5.547 50 0 HKAARN COc1cc(OC)c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1Cl ZINC000013329965 569254980 /nfs/dbraw/zinc/25/49/80/569254980.db2.gz KQKFWNRGFOKMDZ-SECBINFHSA-N 0 0 403.693 5.547 50 0 HKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000013330336 569254975 /nfs/dbraw/zinc/25/49/75/569254975.db2.gz DYQRNEKTVDGNCW-UHFFFAOYSA-N 0 0 409.317 5.495 50 0 HKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000013330338 569255152 /nfs/dbraw/zinc/25/51/52/569255152.db2.gz VXQRPBZUIQPBTB-UHFFFAOYSA-N 0 0 409.317 5.495 50 0 HKAARN Fc1ccc(NC(=S)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1Cl ZINC000013330344 569255107 /nfs/dbraw/zinc/25/51/07/569255107.db2.gz GPTKSJNYCQAJRP-UHFFFAOYSA-N 0 0 413.280 5.325 50 0 HKAARN Cc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)nn1Cc1ccc(Cl)cc1 ZINC000013330354 569255150 /nfs/dbraw/zinc/25/51/50/569255150.db2.gz IAYQAGYBYVXJCH-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN Cc1ccc(C)c(NC(=S)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000013330368 569255122 /nfs/dbraw/zinc/25/51/22/569255122.db2.gz ANJVVTGRHOWYQU-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000013330370 569255125 /nfs/dbraw/zinc/25/51/25/569255125.db2.gz BYFMZDSHKDMVIN-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1ccccc1Cl ZINC000013330376 569255000 /nfs/dbraw/zinc/25/50/00/569255000.db2.gz NHBHAJWNLMIRKY-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN Cc1ccc(C)c(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000013330425 569255094 /nfs/dbraw/zinc/25/50/94/569255094.db2.gz NDVLEEHLIIYUGU-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)c1 ZINC000013330427 569255143 /nfs/dbraw/zinc/25/51/43/569255143.db2.gz OHTDSJISFGPYED-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN Cc1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1C ZINC000013330429 569255090 /nfs/dbraw/zinc/25/50/90/569255090.db2.gz IRTTWDPSBSISNA-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)Nc1cccc(Cl)c1 ZINC000013330435 569255142 /nfs/dbraw/zinc/25/51/42/569255142.db2.gz IMNBJKJFXAGSMK-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1Cl ZINC000013330482 559286473 /nfs/dbraw/zinc/28/64/73/559286473.db2.gz UGFFBJAXWVWVSE-UHFFFAOYSA-N 0 0 409.317 5.495 50 0 HKAARN CC[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000013330561 569255115 /nfs/dbraw/zinc/25/51/15/569255115.db2.gz SAMHZZLXHBVZDJ-CQSZACIVSA-N 0 0 413.153 5.730 50 0 HKAARN CC[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000013330563 569255153 /nfs/dbraw/zinc/25/51/53/569255153.db2.gz SAMHZZLXHBVZDJ-AWEZNQCLSA-N 0 0 413.153 5.730 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Br)cc2)n1)Nc1ccc(Cl)cc1 ZINC000013330810 569255117 /nfs/dbraw/zinc/25/51/17/569255117.db2.gz JKGIUQXAMZZYMA-UHFFFAOYSA-N 0 0 421.751 5.156 50 0 HKAARN Cc1ccc(C)c(NC(=S)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1 ZINC000013330829 569255154 /nfs/dbraw/zinc/25/51/54/569255154.db2.gz OKOIBOUJCAHHST-UHFFFAOYSA-N 0 0 405.354 5.664 50 0 HKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1ccc(Br)cc1 ZINC000013330831 569255103 /nfs/dbraw/zinc/25/51/03/569255103.db2.gz KPJXFWKHLIEXEW-UHFFFAOYSA-N 0 0 421.751 5.156 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000013330833 569255127 /nfs/dbraw/zinc/25/51/27/569255127.db2.gz DSFQOEPYBAGICT-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1ccc(Cl)cc1Cl ZINC000013330840 569255118 /nfs/dbraw/zinc/25/51/18/569255118.db2.gz PJGCDLBMKIQFEB-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1cccc(Cl)c1 ZINC000013330844 569255145 /nfs/dbraw/zinc/25/51/45/569255145.db2.gz NRTOXWRNAVTIHZ-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1ccccc1Cl ZINC000013330846 569255091 /nfs/dbraw/zinc/25/50/91/569255091.db2.gz FYSHHYIKWMBKTE-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN FC(F)(F)c1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000013330886 569255134 /nfs/dbraw/zinc/25/51/34/569255134.db2.gz KPMCXNOOEQAHNU-UHFFFAOYSA-N 0 0 410.852 5.413 50 0 HKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1cc(Cl)ccc1Cl ZINC000013330957 569255133 /nfs/dbraw/zinc/25/51/33/569255133.db2.gz DZNOUUWGIOMHHC-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013330961 569255099 /nfs/dbraw/zinc/25/50/99/569255099.db2.gz CTPMSATYQXECCP-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000013330965 569255105 /nfs/dbraw/zinc/25/51/05/569255105.db2.gz JWSVBOMYIRWXJG-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1Cl ZINC000013330971 569255101 /nfs/dbraw/zinc/25/51/01/569255101.db2.gz BJUFLWGBWTVLIL-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1ccc(Br)cc1 ZINC000013330973 569255156 /nfs/dbraw/zinc/25/51/56/569255156.db2.gz LOIBFTFUHUNVNL-UHFFFAOYSA-N 0 0 421.751 5.156 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013330975 569255098 /nfs/dbraw/zinc/25/50/98/569255098.db2.gz BOSMLWWLLLEIGZ-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000013330979 569255093 /nfs/dbraw/zinc/25/50/93/569255093.db2.gz AEWARAQXNSLLBW-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1Cl ZINC000013330983 569255139 /nfs/dbraw/zinc/25/51/39/569255139.db2.gz DICYVORPPCGUEO-UHFFFAOYSA-N 0 0 411.745 5.701 50 0 HKAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000013331071 569255137 /nfs/dbraw/zinc/25/51/37/569255137.db2.gz KMWAGDYGUNAGST-UHFFFAOYSA-N 0 0 404.461 5.376 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013331252 558530285 /nfs/dbraw/zinc/53/02/85/558530285.db2.gz FGVUQKOGDJNUSR-UHFFFAOYSA-N 0 0 406.383 5.350 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000013331253 569255157 /nfs/dbraw/zinc/25/51/57/569255157.db2.gz XFCKNMVWRXKJBG-UHFFFAOYSA-N 0 0 406.383 5.350 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013331263 569255130 /nfs/dbraw/zinc/25/51/30/569255130.db2.gz KLVGAJDPXNKNNY-UHFFFAOYSA-N 0 0 407.276 5.638 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000013331264 569255114 /nfs/dbraw/zinc/25/51/14/569255114.db2.gz AAAQICSONJDNNW-UHFFFAOYSA-N 0 0 407.276 5.638 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000013331265 569255104 /nfs/dbraw/zinc/25/51/04/569255104.db2.gz FTJOSWUDBPILJG-UHFFFAOYSA-N 0 0 407.276 5.638 50 0 HKAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(Br)cc1 ZINC000013331272 569255095 /nfs/dbraw/zinc/25/50/95/569255095.db2.gz YSQGBMATSFNWKU-UHFFFAOYSA-N 0 0 417.282 5.094 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccc(Br)cc1 ZINC000013331379 569255227 /nfs/dbraw/zinc/25/52/27/569255227.db2.gz QWRAASVRNFRJFA-UHFFFAOYSA-N 0 0 413.319 5.263 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000013331383 569255251 /nfs/dbraw/zinc/25/52/51/569255251.db2.gz GZIFAWILZCUUAQ-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013331384 569255235 /nfs/dbraw/zinc/25/52/35/569255235.db2.gz CJVLKENTLDMKLB-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013331395 569255231 /nfs/dbraw/zinc/25/52/31/569255231.db2.gz ANSRSERXTHWHQP-UHFFFAOYSA-N 0 0 402.420 5.519 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cccc(Br)c1 ZINC000013331400 569255210 /nfs/dbraw/zinc/25/52/10/569255210.db2.gz XRYFTAKAVXGWQA-UHFFFAOYSA-N 0 0 413.319 5.263 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(Br)cc1 ZINC000013331418 569255201 /nfs/dbraw/zinc/25/52/01/569255201.db2.gz AZDZWRACWLUJMU-UHFFFAOYSA-N 0 0 413.319 5.263 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000013331423 569255219 /nfs/dbraw/zinc/25/52/19/569255219.db2.gz KFDQEWUEWYSAIH-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000013331424 569255212 /nfs/dbraw/zinc/25/52/12/569255212.db2.gz ONCADOKCNMTJKN-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013331425 569255250 /nfs/dbraw/zinc/25/52/50/569255250.db2.gz QAPRUWZGNFNNPD-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000013331431 569255211 /nfs/dbraw/zinc/25/52/11/569255211.db2.gz GZXLWYLGLPNHHI-UHFFFAOYSA-N 0 0 402.420 5.519 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013331432 569255215 /nfs/dbraw/zinc/25/52/15/569255215.db2.gz KKIASZXPNRHODC-UHFFFAOYSA-N 0 0 402.420 5.519 50 0 HKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000013331441 569255252 /nfs/dbraw/zinc/25/52/52/569255252.db2.gz NUDVLLCZWJQRRN-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000013331442 569255223 /nfs/dbraw/zinc/25/52/23/569255223.db2.gz CKKGNZSNMVMLCW-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1ccc(Br)cc1 ZINC000013331471 569255214 /nfs/dbraw/zinc/25/52/14/569255214.db2.gz HDGJBIBBUPHAFW-UHFFFAOYSA-N 0 0 413.319 5.263 50 0 HKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1cccc(Br)c1 ZINC000013331488 569255123 /nfs/dbraw/zinc/25/51/23/569255123.db2.gz WTVGWPNEZLUBHY-UHFFFAOYSA-N 0 0 413.319 5.263 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cc(Cl)ccc1C ZINC000013331499 569255124 /nfs/dbraw/zinc/25/51/24/569255124.db2.gz OMEWEOWMDPDTEV-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cccc(Cl)c1C ZINC000013331500 569255228 /nfs/dbraw/zinc/25/52/28/569255228.db2.gz MIPSADIPHHIMKE-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013331503 569255242 /nfs/dbraw/zinc/25/52/42/569255242.db2.gz DAFOGBGUHMNYNR-UHFFFAOYSA-N 0 0 423.731 6.152 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000013331504 569255249 /nfs/dbraw/zinc/25/52/49/569255249.db2.gz VQTMLUPMZQGJRJ-UHFFFAOYSA-N 0 0 423.731 6.152 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000013331505 569255233 /nfs/dbraw/zinc/25/52/33/569255233.db2.gz UFISDAHJWBXLJL-UHFFFAOYSA-N 0 0 423.731 6.152 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000013331506 569255238 /nfs/dbraw/zinc/25/52/38/569255238.db2.gz ZIDCPXCNWUWUIW-UHFFFAOYSA-N 0 0 423.731 6.152 50 0 HKAARN CCCCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000013331508 569255247 /nfs/dbraw/zinc/25/52/47/569255247.db2.gz VDFIDJOREOMQJO-UHFFFAOYSA-N 0 0 410.949 6.188 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000013331619 569255226 /nfs/dbraw/zinc/25/52/26/569255226.db2.gz WWYXIJIMWGFSCU-UHFFFAOYSA-N 0 0 402.420 5.519 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000013331621 569255222 /nfs/dbraw/zinc/25/52/22/569255222.db2.gz QSVGDGSUHYOFFE-UHFFFAOYSA-N 0 0 419.312 5.508 50 0 HKAARN CSc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 ZINC000013331629 569255218 /nfs/dbraw/zinc/25/52/18/569255218.db2.gz YFACPXDEEZLNRW-UHFFFAOYSA-N 0 0 400.935 5.568 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(C)cc1Cl ZINC000013331633 569255232 /nfs/dbraw/zinc/25/52/32/569255232.db2.gz FRQHGWXBIVGHKO-UHFFFAOYSA-N 0 0 403.313 5.807 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013331642 569255217 /nfs/dbraw/zinc/25/52/17/569255217.db2.gz YZEFMVDVQDGXGW-UHFFFAOYSA-N 0 0 422.838 5.864 50 0 HKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013331646 569255229 /nfs/dbraw/zinc/25/52/29/569255229.db2.gz SZDFKCBGNBZWAE-UHFFFAOYSA-N 0 0 402.420 5.519 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000013331756 569255224 /nfs/dbraw/zinc/25/52/24/569255224.db2.gz NNZLPNUFWYEUNZ-UHFFFAOYSA-N 0 0 422.838 5.864 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000013346719 569410686 /nfs/dbraw/zinc/41/06/86/569410686.db2.gz RNSNYDARHQSFJT-UHFFFAOYSA-N 0 0 413.477 5.585 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013346768 569410719 /nfs/dbraw/zinc/41/07/19/569410719.db2.gz SYQMAHOVAOJVCB-UHFFFAOYSA-N 0 0 417.490 5.784 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1F 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558530363 /nfs/dbraw/zinc/53/03/63/558530363.db2.gz BOHCSGHDZNUSRQ-UHFFFAOYSA-N 0 0 420.469 5.812 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1Cl ZINC000013351187 569411217 /nfs/dbraw/zinc/41/12/17/569411217.db2.gz KLSXOPJAWXTSIT-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(Cl)c1 ZINC000013351191 569411139 /nfs/dbraw/zinc/41/11/39/569411139.db2.gz RAJANIMRRDUZHX-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccccc1C(F)(F)F ZINC000013351199 569411141 /nfs/dbraw/zinc/41/11/41/569411141.db2.gz ZIFIMQAKFNJCCD-UHFFFAOYSA-N 0 0 424.382 6.066 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000013351203 569411163 /nfs/dbraw/zinc/41/11/63/569411163.db2.gz BIMNAVDPSQVMGK-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000013351207 569411171 /nfs/dbraw/zinc/41/11/71/569411171.db2.gz LNIQNAIKUXHYHR-UHFFFAOYSA-N 0 0 408.820 5.840 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000013351215 569411221 /nfs/dbraw/zinc/41/12/21/569411221.db2.gz DPGBQBZFRISQMM-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000013351219 569411155 /nfs/dbraw/zinc/41/11/55/569411155.db2.gz PLFFKYHHZLTRLU-UHFFFAOYSA-N 0 0 424.382 6.066 50 0 HKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)o2)cc1 ZINC000013351245 569411189 /nfs/dbraw/zinc/41/11/89/569411189.db2.gz VVFCYQVQOATAHY-UHFFFAOYSA-N 0 0 416.456 5.727 50 0 HKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)o2)cc1 ZINC000013351249 569411205 /nfs/dbraw/zinc/41/12/05/569411205.db2.gz GNGPHLZSTJTJEB-UHFFFAOYSA-N 0 0 402.429 5.419 50 0 HKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)o2)cc1 ZINC000013351253 569411209 /nfs/dbraw/zinc/41/12/09/569411209.db2.gz JCUDPLPCGJPFBE-UHFFFAOYSA-N 0 0 402.429 5.419 50 0 HKAARN O=C(Nc1ccc(F)cc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000013351263 569411130 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COc1cc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc(OC)c1OC ZINC000013351398 569411197 /nfs/dbraw/zinc/41/11/97/569411197.db2.gz TVACQKTVPHVKDB-UHFFFAOYSA-N 0 0 417.465 5.505 50 0 HKAARN CCOC(=O)CC1(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)CCCCC1 ZINC000013351497 569411147 /nfs/dbraw/zinc/41/11/47/569411147.db2.gz SLWVEVMFOXYPIE-UHFFFAOYSA-N 0 0 419.525 5.613 50 0 HKAARN CCC(=O)Nc1nc2cc(NC(=O)Nc3ccccc3Br)ccc2s1 ZINC000013353809 569411282 /nfs/dbraw/zinc/41/12/82/569411282.db2.gz FXJPBFIBYWQXOH-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN CCC(=O)Nc1nc2cc(NC(=O)Nc3cccc(Br)c3)ccc2s1 ZINC000013353814 569411290 /nfs/dbraw/zinc/41/12/90/569411290.db2.gz AEUNPYJYNWSFJP-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN CCC(=O)Nc1nc2cc(NC(=O)Nc3ccc(Br)cc3)ccc2s1 ZINC000013353822 569411276 /nfs/dbraw/zinc/41/12/76/569411276.db2.gz PHPNAOZUMMDXCP-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000013353856 569411296 /nfs/dbraw/zinc/41/12/96/569411296.db2.gz 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569411278 /nfs/dbraw/zinc/41/12/78/569411278.db2.gz IQQSEMFBDFZGFP-UHFFFAOYSA-N 0 0 422.554 5.445 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000013356323 569411417 /nfs/dbraw/zinc/41/14/17/569411417.db2.gz AVEAADRCNVOYHB-UHFFFAOYSA-N 0 0 415.924 5.740 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000013356352 569411383 /nfs/dbraw/zinc/41/13/83/569411383.db2.gz IJYOGLCGTZKWLF-UHFFFAOYSA-N 0 0 409.533 5.519 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(-c3ncccc3-n3c(C)ccc3C)cc2)c1 ZINC000013356388 569411410 /nfs/dbraw/zinc/41/14/10/569411410.db2.gz RRWGXUZHTIVADA-UHFFFAOYSA-N 0 0 411.505 5.095 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(-c2ncccc2-n2c(C)ccc2C)cc1 ZINC000013356400 569411360 /nfs/dbraw/zinc/41/13/60/569411360.db2.gz NSFAJVSKORKNBD-UHFFFAOYSA-N 0 0 411.505 5.807 50 0 HKAARN Cc1ccc(C(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)cc1 ZINC000013356557 569411397 /nfs/dbraw/zinc/41/13/97/569411397.db2.gz HBRKAEQDDYETKV-UHFFFAOYSA-N 0 0 401.491 5.590 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000013356563 569411362 /nfs/dbraw/zinc/41/13/62/569411362.db2.gz CZFIOGPJSBUCJC-UHFFFAOYSA-N 0 0 401.491 5.590 50 0 HKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cs1 ZINC000013357825 569411457 /nfs/dbraw/zinc/41/14/57/569411457.db2.gz RDXUQJTVSGJAKM-UHFFFAOYSA-N 0 0 412.458 5.247 50 0 HKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2)cs1 ZINC000013358087 569411463 /nfs/dbraw/zinc/41/14/63/569411463.db2.gz RDHBCMJUVAKGFC-UHFFFAOYSA-N 0 0 412.458 5.247 50 0 HKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013358310 569411700 /nfs/dbraw/zinc/41/17/00/569411700.db2.gz YBBUDAIKPSCKAC-UHFFFAOYSA-N 0 0 419.506 5.130 50 0 HKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl ZINC000013358315 569411686 /nfs/dbraw/zinc/41/16/86/569411686.db2.gz CGHYTLVMRASNTB-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccc(F)c(Cl)c1 ZINC000013358321 569411683 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COc1ccc(C)cc1NC(=O)Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000013358373 569411703 /nfs/dbraw/zinc/41/17/03/569411703.db2.gz IFLLDQUFRODOLM-UHFFFAOYSA-N 0 0 418.428 5.504 50 0 HKAARN O=C(NCc1ccc(F)cc1)Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000013358376 569411598 /nfs/dbraw/zinc/41/15/98/569411598.db2.gz SYYXLYXQIQMSSR-UHFFFAOYSA-N 0 0 406.392 5.004 50 0 HKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)n2)cc1 ZINC000013359135 569411584 /nfs/dbraw/zinc/41/15/84/569411584.db2.gz XFMYXFYDIBDRSL-UHFFFAOYSA-N 0 0 408.454 5.257 50 0 HKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n2)cc1 ZINC000013359140 569411655 /nfs/dbraw/zinc/41/16/55/569411655.db2.gz QDCPTDHALJDCIF-UHFFFAOYSA-N 0 0 424.909 5.771 50 0 HKAARN Cc1ccc(-c2coc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4C)c3)n2)cc1 ZINC000013359143 569411609 /nfs/dbraw/zinc/41/16/09/569411609.db2.gz ZKXKCIOEMJFQFS-UHFFFAOYSA-N 0 0 418.518 5.735 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1 ZINC000013359164 569411677 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50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4C)co3)c2)cc1 ZINC000013359212 569411668 /nfs/dbraw/zinc/41/16/68/569411668.db2.gz YILPQQKPBSNHMR-UHFFFAOYSA-N 0 0 404.491 5.426 50 0 HKAARN Cc1ccccc1-c1coc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)n1 ZINC000013359214 569411602 /nfs/dbraw/zinc/41/16/02/569411602.db2.gz RATZONOQWPPUPO-UHFFFAOYSA-N 0 0 424.909 5.771 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2)c(C)c1 ZINC000013360648 569411718 /nfs/dbraw/zinc/41/17/18/569411718.db2.gz JJKJSAFIWSBRAA-UHFFFAOYSA-N 0 0 422.481 5.565 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360651 569411752 /nfs/dbraw/zinc/41/17/52/569411752.db2.gz BMSXDIXTHHBTLB-UHFFFAOYSA-N 0 0 418.518 5.735 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1C ZINC000013360706 569411778 /nfs/dbraw/zinc/41/17/78/569411778.db2.gz YWARHWGELRDNOO-UHFFFAOYSA-N 0 0 422.481 5.565 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccc(C)c(C)c4)co3)cc2)cc1 ZINC000013360712 569411739 /nfs/dbraw/zinc/41/17/39/569411739.db2.gz YSVYKQQTTRJXKY-UHFFFAOYSA-N 0 0 418.518 5.735 50 0 HKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccccc4)cc3)c(=O)[nH]c2cc1C ZINC000013360895 569411760 /nfs/dbraw/zinc/41/17/60/569411760.db2.gz MQLCIXSDBANRQH-UHFFFAOYSA-N 0 0 415.518 5.085 50 0 HKAARN Cc1cc2nc(CSc3ccc(NC(=O)c4cccs4)cc3)c(=O)[nH]c2cc1C ZINC000013360901 569411745 /nfs/dbraw/zinc/41/17/45/569411745.db2.gz PSZLGSVTULSVGH-UHFFFAOYSA-N 0 0 421.547 5.146 50 0 HKAARN Cc1cc2nc(CSc3ccc(NC(=O)C4CCCCC4)cc3)c(=O)[nH]c2cc1C ZINC000013360974 569411750 /nfs/dbraw/zinc/41/17/50/569411750.db2.gz UKHLDOOLEVHNIT-UHFFFAOYSA-N 0 0 421.566 5.351 50 0 HKAARN O=C(Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1)c1ccccc1Cl ZINC000013361030 569411723 /nfs/dbraw/zinc/41/17/23/569411723.db2.gz XUJGQLQFUOHCFF-UHFFFAOYSA-N 0 0 421.909 5.121 50 0 HKAARN O=C(Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1)c1cccc(Cl)c1 ZINC000013361046 569411764 /nfs/dbraw/zinc/41/17/64/569411764.db2.gz BOCGOPLDWWNKBH-UHFFFAOYSA-N 0 0 421.909 5.121 50 0 HKAARN O=C(CC1CCCCC1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361100 569411831 /nfs/dbraw/zinc/41/18/31/569411831.db2.gz QIIPJSNHNLSROV-UHFFFAOYSA-N 0 0 407.539 5.124 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(OC)c1 ZINC000013362014 558530608 /nfs/dbraw/zinc/53/06/08/558530608.db2.gz XUIXVVMKUGFDRC-UHFFFAOYSA-N 0 0 408.841 5.418 50 0 HKAARN O=C1C[C@@H](c2ccccc2F)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362032 558530535 /nfs/dbraw/zinc/53/05/35/558530535.db2.gz GKUNKVXRRHNGFO-IBGZPJMESA-N 0 0 417.871 5.806 50 0 HKAARN O=C1C[C@H](c2ccccc2F)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362034 558530478 /nfs/dbraw/zinc/53/04/78/558530478.db2.gz GKUNKVXRRHNGFO-LJQANCHMSA-N 0 0 417.871 5.806 50 0 HKAARN O=C1C[C@@H](c2ccc(F)cc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362036 558530565 /nfs/dbraw/zinc/53/05/65/558530565.db2.gz NIFOOKNEJBYBEW-FQEVSTJZSA-N 0 0 417.871 5.806 50 0 HKAARN O=C1C[C@H](c2ccc(F)cc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362038 558530567 /nfs/dbraw/zinc/53/05/67/558530567.db2.gz NIFOOKNEJBYBEW-HXUWFJFHSA-N 0 0 417.871 5.806 50 0 HKAARN O=C1C[C@@H](c2cccc(F)c2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362040 558530602 /nfs/dbraw/zinc/53/06/02/558530602.db2.gz AAFRAMUNOSQHAW-FQEVSTJZSA-N 0 0 417.871 5.806 50 0 HKAARN O=C1C[C@H](c2cccc(F)c2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013362042 558530561 /nfs/dbraw/zinc/53/05/61/558530561.db2.gz AAFRAMUNOSQHAW-HXUWFJFHSA-N 0 0 417.871 5.806 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)cc1 ZINC000013362247 558530595 /nfs/dbraw/zinc/53/05/95/558530595.db2.gz NKJSFYUABDYLFH-UHFFFAOYSA-N 0 0 400.478 6.188 50 0 HKAARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(F)c1 ZINC000013362249 558530500 /nfs/dbraw/zinc/53/05/00/558530500.db2.gz RCCFNFNKBHMDRS-UHFFFAOYSA-N 0 0 404.441 6.018 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000013362259 558530571 /nfs/dbraw/zinc/53/05/71/558530571.db2.gz ACRXLJNLIKJGFN-UHFFFAOYSA-N 0 0 404.901 5.505 50 0 HKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2cccc3ccccc32)o1 ZINC000013362273 569411911 /nfs/dbraw/zinc/41/19/11/569411911.db2.gz PXANLMWJKACFRZ-SFHVURJKSA-N 0 0 411.527 5.587 50 0 HKAARN COc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1Cl ZINC000013364226 569412091 /nfs/dbraw/zinc/41/20/91/569412091.db2.gz GEMXKAMOIUSXGE-UHFFFAOYSA-N 0 0 414.296 5.491 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364335 569412110 /nfs/dbraw/zinc/41/21/10/569412110.db2.gz HWFCIKYXZADKFN-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364337 569412134 /nfs/dbraw/zinc/41/21/34/569412134.db2.gz HWFCIKYXZADKFN-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN CCOc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364363 558530718 /nfs/dbraw/zinc/53/07/18/558530718.db2.gz ZXEVRJBLLRBIIS-NRFANRHFSA-N 0 0 405.885 5.990 50 0 HKAARN CCOc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364365 558530794 /nfs/dbraw/zinc/53/07/94/558530794.db2.gz ZXEVRJBLLRBIIS-OAQYLSRUSA-N 0 0 405.885 5.990 50 0 HKAARN COc1ccccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000013364372 569412083 /nfs/dbraw/zinc/41/20/83/569412083.db2.gz DSRFRNHXOVQWRT-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccccc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000013364374 569412139 /nfs/dbraw/zinc/41/21/39/569412139.db2.gz DSRFRNHXOVQWRT-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN Fc1ccccc1-c1nnc([C@@H](Nc2ccc(Br)cc2)c2ccccc2)o1 ZINC000013364414 558530711 /nfs/dbraw/zinc/53/07/11/558530711.db2.gz IVMKPUJYRDVCGP-IBGZPJMESA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccccc1-c1nnc([C@H](Nc2ccc(Br)cc2)c2ccccc2)o1 ZINC000013364416 558530747 /nfs/dbraw/zinc/53/07/47/558530747.db2.gz IVMKPUJYRDVCGP-LJQANCHMSA-N 0 0 424.273 5.840 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1 ZINC000013364436 569412047 /nfs/dbraw/zinc/41/20/47/569412047.db2.gz XNNZVRCFIGZEFZ-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1 ZINC000013364439 569412103 /nfs/dbraw/zinc/41/21/03/569412103.db2.gz XNNZVRCFIGZEFZ-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN COc1cccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000013364445 558530805 /nfs/dbraw/zinc/53/08/05/558530805.db2.gz XHWPDGFVHJPENR-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1cccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)c1 ZINC000013364447 558530797 /nfs/dbraw/zinc/53/07/97/558530797.db2.gz XHWPDGFVHJPENR-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN Fc1cccc(-c2nnc([C@@H](Nc3ccc(F)cc3F)c3ccc(Cl)cc3)o2)c1 ZINC000013364453 558530799 /nfs/dbraw/zinc/53/07/99/558530799.db2.gz PPQQQGHYIHMJBW-IBGZPJMESA-N 0 0 415.802 6.009 50 0 HKAARN Fc1cccc(-c2nnc([C@H](Nc3ccc(F)cc3F)c3ccc(Cl)cc3)o2)c1 ZINC000013364455 558530723 /nfs/dbraw/zinc/53/07/23/558530723.db2.gz PPQQQGHYIHMJBW-LJQANCHMSA-N 0 0 415.802 6.009 50 0 HKAARN COc1ccc(OC)c(NCc2ccccc2-c2nnc(-c3ccccc3Cl)o2)c1 ZINC000013364484 569412044 /nfs/dbraw/zinc/41/20/44/569412044.db2.gz KRAXANZGJSCDTP-UHFFFAOYSA-N 0 0 421.884 5.686 50 0 HKAARN CCOc1ccccc1NCc1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000013364487 569412144 /nfs/dbraw/zinc/41/21/44/569412144.db2.gz UQZJSSJRHIUJLW-UHFFFAOYSA-N 0 0 405.885 6.068 50 0 HKAARN Fc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364532 558530824 /nfs/dbraw/zinc/53/08/24/558530824.db2.gz AXEKVVVECALYKP-IBGZPJMESA-N 0 0 415.802 6.009 50 0 HKAARN Fc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 ZINC000013364534 558530736 /nfs/dbraw/zinc/53/07/36/558530736.db2.gz AXEKVVVECALYKP-LJQANCHMSA-N 0 0 415.802 6.009 50 0 HKAARN Cc1ccc(C(=O)Nc2c(C)nc(Nc3ccccc3)nc2Nc2ccccc2)cc1 ZINC000013364646 569412108 /nfs/dbraw/zinc/41/21/08/569412108.db2.gz BWJBRINPZXJHEW-UHFFFAOYSA-N 0 0 409.493 5.833 50 0 HKAARN Cc1nc2ccccc2nc1CSc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000013365407 569412221 /nfs/dbraw/zinc/41/22/21/569412221.db2.gz JKBAZEWWCUHOJV-UHFFFAOYSA-N 0 0 418.497 6.014 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1cccc(F)c1 ZINC000013365537 569412266 /nfs/dbraw/zinc/41/22/66/569412266.db2.gz KAGJZBRZVOARLP-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1cccc(F)c1 ZINC000013365539 569412217 /nfs/dbraw/zinc/41/22/17/569412217.db2.gz KAGJZBRZVOARLP-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccccc2SCc2nc3ccccc3nc2C)c1 ZINC000013365550 569412201 /nfs/dbraw/zinc/41/22/01/569412201.db2.gz GKYDSEPERXYCFJ-UHFFFAOYSA-N 0 0 414.534 6.183 50 0 HKAARN Cc1nc2ccccc2nc1CSc1ccccc1NC(=O)Nc1ccc(F)cc1 ZINC000013365553 569412211 /nfs/dbraw/zinc/41/22/11/569412211.db2.gz YAEJQGWSXGMROC-UHFFFAOYSA-N 0 0 418.497 6.014 50 0 HKAARN O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1nccs1 ZINC000013365808 569412262 /nfs/dbraw/zinc/41/22/62/569412262.db2.gz DLUNFCGEYPSMNO-UHFFFAOYSA-N 0 0 410.499 5.070 50 0 HKAARN Cc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)Nc2nccs2)cc1 ZINC000013365810 569412164 /nfs/dbraw/zinc/41/21/64/569412164.db2.gz NLRIVDFVKBIEBB-UHFFFAOYSA-N 0 0 406.536 5.239 50 0 HKAARN O=C(CCCn1nc(-c2ccccc2)c2ccccc21)N[C@@H]1CCCc2ccccc21 ZINC000013368701 569412601 /nfs/dbraw/zinc/41/26/01/569412601.db2.gz DHHQYFXFASQLJL-XMMPIXPASA-N 0 0 409.533 5.677 50 0 HKAARN O=C(CCCn1nc(-c2ccccc2)c2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000013368704 569412530 /nfs/dbraw/zinc/41/25/30/569412530.db2.gz DHHQYFXFASQLJL-DEOSSOPVSA-N 0 0 409.533 5.677 50 0 HKAARN O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000013368706 569412586 /nfs/dbraw/zinc/41/25/86/569412586.db2.gz ANDQPPLCGJYJFB-UHFFFAOYSA-N 0 0 403.913 5.453 50 0 HKAARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368894 569412584 /nfs/dbraw/zinc/41/25/84/569412584.db2.gz CKKBBHKRZGBNTB-UHFFFAOYSA-N 0 0 403.869 5.198 50 0 HKAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1 ZINC000013368911 569412551 /nfs/dbraw/zinc/41/25/51/569412551.db2.gz UDFZITLKBFUFIM-UHFFFAOYSA-N 0 0 421.884 5.013 50 0 HKAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368928 569412580 /nfs/dbraw/zinc/41/25/80/569412580.db2.gz REPPRVJQQTXUDX-UHFFFAOYSA-N 0 0 405.885 5.394 50 0 HKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCc1ccccc1 ZINC000013368930 569412533 /nfs/dbraw/zinc/41/25/33/569412533.db2.gz ZWAKYDKJMNOLLF-UHFFFAOYSA-N 0 0 403.913 5.106 50 0 HKAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368953 569412556 /nfs/dbraw/zinc/41/25/56/569412556.db2.gz FIKPJMLTOOFBCC-UHFFFAOYSA-N 0 0 421.884 5.013 50 0 HKAARN Cc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368974 569412607 /nfs/dbraw/zinc/41/26/07/569412607.db2.gz RCIMDUYOXINLIX-UHFFFAOYSA-N 0 0 403.913 5.024 50 0 HKAARN Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000013368977 569412517 /nfs/dbraw/zinc/41/25/17/569412517.db2.gz NNYKSMHPQLUSDZ-UHFFFAOYSA-N 0 0 403.913 5.921 50 0 HKAARN CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368983 569412592 /nfs/dbraw/zinc/41/25/92/569412592.db2.gz MYYSAKKWWFNABF-UHFFFAOYSA-N 0 0 403.869 5.198 50 0 HKAARN CSc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368987 569412573 /nfs/dbraw/zinc/41/25/73/569412573.db2.gz VSIIZQFSMPHUQM-UHFFFAOYSA-N 0 0 407.926 5.717 50 0 HKAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013368991 569412542 /nfs/dbraw/zinc/41/25/42/569412542.db2.gz QKHKCWMVZGSRTO-UHFFFAOYSA-N 0 0 403.913 5.866 50 0 HKAARN CC(C)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368998 569412594 /nfs/dbraw/zinc/41/25/94/569412594.db2.gz VBVWTIVJKQMQKH-UHFFFAOYSA-N 0 0 403.913 6.119 50 0 HKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N[C@@H]1CCCc2ccccc21 ZINC000013369000 569412566 /nfs/dbraw/zinc/41/25/66/569412566.db2.gz REYRIPWCPISSLZ-JOCHJYFZSA-N 0 0 415.924 5.551 50 0 HKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N[C@H]1CCCc2ccccc21 ZINC000013369002 569412578 /nfs/dbraw/zinc/41/25/78/569412578.db2.gz REYRIPWCPISSLZ-QFIPXVFZSA-N 0 0 415.924 5.551 50 0 HKAARN C[C@@H](CNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000013369007 569412511 /nfs/dbraw/zinc/41/25/11/569412511.db2.gz QCLGCUZGUSDYMW-KRWDZBQOSA-N 0 0 403.913 5.277 50 0 HKAARN C[C@H](CNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000013369009 569412525 /nfs/dbraw/zinc/41/25/25/569412525.db2.gz QCLGCUZGUSDYMW-QGZVFWFLSA-N 0 0 403.913 5.277 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369040 569412590 /nfs/dbraw/zinc/41/25/90/569412590.db2.gz YKWDDXLZFAMEGG-SFHVURJKSA-N 0 0 417.940 5.494 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369043 569412553 /nfs/dbraw/zinc/41/25/53/569412553.db2.gz YKWDDXLZFAMEGG-GOSISDBHSA-N 0 0 417.940 5.494 50 0 HKAARN CCCSCCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369101 569412608 /nfs/dbraw/zinc/41/26/08/569412608.db2.gz NROLUSFSSDBUDK-UHFFFAOYSA-N 0 0 401.963 5.006 50 0 HKAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369202 569412582 /nfs/dbraw/zinc/41/25/82/569412582.db2.gz PITFPJOWQOBZMR-AWEZNQCLSA-N 0 0 419.868 5.285 50 0 HKAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369204 569412539 /nfs/dbraw/zinc/41/25/39/569412539.db2.gz PITFPJOWQOBZMR-CQSZACIVSA-N 0 0 419.868 5.285 50 0 HKAARN COc1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369252 569412643 /nfs/dbraw/zinc/41/26/43/569412643.db2.gz PKOHBWQVXULNTB-OAHLLOKOSA-N 0 0 405.885 5.565 50 0 HKAARN COc1ccccc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369254 569412708 /nfs/dbraw/zinc/41/27/08/569412708.db2.gz PKOHBWQVXULNTB-HNNXBMFYSA-N 0 0 405.885 5.565 50 0 HKAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369360 569412629 /nfs/dbraw/zinc/41/26/29/569412629.db2.gz VKZYLBRXLQPTBX-QFIPXVFZSA-N 0 0 417.940 5.933 50 0 HKAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369362 569412690 /nfs/dbraw/zinc/41/26/90/569412690.db2.gz VKZYLBRXLQPTBX-JOCHJYFZSA-N 0 0 417.940 5.933 50 0 HKAARN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369377 569412650 /nfs/dbraw/zinc/41/26/50/569412650.db2.gz PYMXJQPFLLEFGF-JTSKRJEESA-N 0 0 417.940 6.185 50 0 HKAARN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369379 569412658 /nfs/dbraw/zinc/41/26/58/569412658.db2.gz PYMXJQPFLLEFGF-HTAPYJJXSA-N 0 0 417.940 6.185 50 0 HKAARN CC[C@@H](C(=O)N[C@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369381 569412694 /nfs/dbraw/zinc/41/26/94/569412694.db2.gz PYMXJQPFLLEFGF-VGSWGCGISA-N 0 0 417.940 6.185 50 0 HKAARN CC[C@H](C(=O)N[C@H](C)c1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369383 569412666 /nfs/dbraw/zinc/41/26/66/569412666.db2.gz PYMXJQPFLLEFGF-VGOFRKELSA-N 0 0 417.940 6.185 50 0 HKAARN CC[C@@H](C(=O)NCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369385 569412672 /nfs/dbraw/zinc/41/26/72/569412672.db2.gz KBAKTSAJUGBXPD-QFIPXVFZSA-N 0 0 417.940 5.667 50 0 HKAARN CC[C@H](C(=O)NCCc1ccccc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369387 569412611 /nfs/dbraw/zinc/41/26/11/569412611.db2.gz KBAKTSAJUGBXPD-JOCHJYFZSA-N 0 0 417.940 5.667 50 0 HKAARN CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369412 569412696 /nfs/dbraw/zinc/41/26/96/569412696.db2.gz ZMSFUQNFPBSXPY-WOSNLTMFSA-N 0 0 423.988 6.249 50 0 HKAARN CC[C@@H](C(=O)NCc1cccs1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369418 569412653 /nfs/dbraw/zinc/41/26/53/569412653.db2.gz JITGMOXDQSSFKO-IBGZPJMESA-N 0 0 409.942 5.686 50 0 HKAARN CC[C@H](C(=O)NCc1cccs1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369420 569412680 /nfs/dbraw/zinc/41/26/80/569412680.db2.gz JITGMOXDQSSFKO-LJQANCHMSA-N 0 0 409.942 5.686 50 0 HKAARN Cc1ccc(CNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013369454 569412706 /nfs/dbraw/zinc/41/27/06/569412706.db2.gz RSNAPLNMTXIVTC-UHFFFAOYSA-N 0 0 417.940 5.762 50 0 HKAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccc(F)cc1 ZINC000013369465 569412669 /nfs/dbraw/zinc/41/26/69/569412669.db2.gz VWEGHIPJWXBMCI-UHFFFAOYSA-N 0 0 421.903 5.592 50 0 HKAARN CC(C)CC(=O)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369837 569412662 /nfs/dbraw/zinc/41/26/62/569412662.db2.gz XXNFEGIRIFCQDA-RTWAWAEBSA-N 0 0 406.574 5.556 50 0 biogenic HKAARN O=C(c1ccco1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369857 569412702 /nfs/dbraw/zinc/41/27/02/569412702.db2.gz XQSLLNOTRDSCCD-UXHICEINSA-N 0 0 416.525 5.417 50 0 biogenic HKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)C(C)C)cc1 ZINC000013369873 569412620 /nfs/dbraw/zinc/41/26/20/569412620.db2.gz HPUXKTXLMZEEIT-RTWAWAEBSA-N 0 0 406.574 5.474 50 0 biogenic HKAARN CCCCC(=O)N1c2nc(-c3ccc(C)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369878 569412637 /nfs/dbraw/zinc/41/26/37/569412637.db2.gz JKIYDLYTPNIUIX-YADHBBJMSA-N 0 0 420.601 6.009 50 0 biogenic HKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)CC(C)C)cc1 ZINC000013369881 569412641 /nfs/dbraw/zinc/41/26/41/569412641.db2.gz JLKWDWSSVDPUQY-YADHBBJMSA-N 0 0 420.601 5.864 50 0 biogenic HKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)C2CC2)cc1 ZINC000013369890 569412722 /nfs/dbraw/zinc/41/27/22/569412722.db2.gz ZDZUZGCHYKKHNC-RTWAWAEBSA-N 0 0 404.558 5.228 50 0 biogenic HKAARN CCC(=O)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369896 569412813 /nfs/dbraw/zinc/41/28/13/569412813.db2.gz BWRDXPUQZSIPHP-MOPGFXCFSA-N 0 0 412.965 5.573 50 0 biogenic HKAARN O=C(C1CC1)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369910 569412742 /nfs/dbraw/zinc/41/27/42/569412742.db2.gz NMEVBMQCXBYLPL-UXHICEINSA-N 0 0 424.976 5.573 50 0 biogenic HKAARN COc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)C(C)C)cc1 ZINC000013369917 569412800 /nfs/dbraw/zinc/41/28/00/569412800.db2.gz RBFIDNXXHPCHDM-RTWAWAEBSA-N 0 0 422.573 5.175 50 0 biogenic HKAARN CCCC(=O)N1c2nc(-c3ccc(OC)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369919 569412730 /nfs/dbraw/zinc/41/27/30/569412730.db2.gz CMRLPKHWDQFDSJ-RTWAWAEBSA-N 0 0 422.573 5.319 50 0 biogenic HKAARN Cc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)C(C)C ZINC000013369952 569412744 /nfs/dbraw/zinc/41/27/44/569412744.db2.gz MBKNOWWPNDEQAP-RTWAWAEBSA-N 0 0 406.574 5.474 50 0 biogenic HKAARN CCCC(=O)N1c2nc(-c3ccccc3C)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369955 569412751 /nfs/dbraw/zinc/41/27/51/569412751.db2.gz KRRPSUFINDNCDJ-RTWAWAEBSA-N 0 0 406.574 5.618 50 0 biogenic HKAARN Cc1ccccc1-c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)C1CC1 ZINC000013369961 569412735 /nfs/dbraw/zinc/41/27/35/569412735.db2.gz VVQWUXMUTFHAHT-RTWAWAEBSA-N 0 0 404.558 5.228 50 0 biogenic HKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)CCc1ccccc1 ZINC000013369985 569412762 /nfs/dbraw/zinc/41/27/62/569412762.db2.gz HCDVQJSSTRCQFU-RTWAWAEBSA-N 0 0 406.574 5.038 50 0 biogenic HKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000013369995 569412755 /nfs/dbraw/zinc/41/27/55/569412755.db2.gz YOILEYUMSLGULR-MOPGFXCFSA-N 0 0 412.965 5.373 50 0 biogenic HKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000013370005 569412804 /nfs/dbraw/zinc/41/28/04/569412804.db2.gz ATVUOYWGUDEENF-MJGOQNOKSA-N 0 0 412.965 5.373 50 0 biogenic HKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc(Cl)c1 ZINC000013370015 569412753 /nfs/dbraw/zinc/41/27/53/569412753.db2.gz NARFRDJERWMDAS-MOPGFXCFSA-N 0 0 412.965 5.373 50 0 biogenic HKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000013370040 569412790 /nfs/dbraw/zinc/41/27/90/569412790.db2.gz WUPOPRLIEHQZCI-UXHICEINSA-N 0 0 410.537 5.248 50 0 biogenic HKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc(OC)c1 ZINC000013370045 569412792 /nfs/dbraw/zinc/41/27/92/569412792.db2.gz AEBLMCRIYVDFGL-RTWAWAEBSA-N 0 0 422.573 5.118 50 0 biogenic HKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1OC ZINC000013370049 569412780 /nfs/dbraw/zinc/41/27/80/569412780.db2.gz MNDUZESVFYAXMM-UXHICEINSA-N 0 0 422.573 5.118 50 0 biogenic HKAARN Cc1ccc(C(=O)N2c3nc(C(C)C)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000013370059 569412776 /nfs/dbraw/zinc/41/27/76/569412776.db2.gz LGQODLHZDDDCRG-RTWAWAEBSA-N 0 0 406.574 5.589 50 0 biogenic HKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000013370061 569412746 /nfs/dbraw/zinc/41/27/46/569412746.db2.gz AGCVBNHNDBBZDS-UXHICEINSA-N 0 0 410.537 5.419 50 0 biogenic HKAARN Cc1ccccc1C(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370064 569412775 /nfs/dbraw/zinc/41/27/75/569412775.db2.gz NCRSJZIXZWEPCB-RTWAWAEBSA-N 0 0 406.574 5.589 50 0 biogenic HKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1F ZINC000013370066 569412783 /nfs/dbraw/zinc/41/27/83/569412783.db2.gz MOMSOBXVJFJWAD-QUCCMNQESA-N 0 0 410.537 5.419 50 0 biogenic HKAARN COc1ccccc1C(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370070 569412808 /nfs/dbraw/zinc/41/28/08/569412808.db2.gz OHLMTPMMNJVJHC-UXHICEINSA-N 0 0 422.573 5.289 50 0 biogenic HKAARN Cc1cccc(C(=O)N2c3nc(C(C)C)nn3C3(CCCCC3)[C@@H]3CCCC[C@@H]32)c1 ZINC000013370074 569412778 /nfs/dbraw/zinc/41/27/78/569412778.db2.gz NKVIVUUSJQJZPB-RTWAWAEBSA-N 0 0 406.574 5.589 50 0 biogenic HKAARN CC(C)CC(=O)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370098 569412794 /nfs/dbraw/zinc/41/27/94/569412794.db2.gz HRPHWJHCCLMJQD-RTWAWAEBSA-N 0 0 412.622 5.937 50 0 biogenic HKAARN O=C(c1ccco1)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370112 569412772 /nfs/dbraw/zinc/41/27/72/569412772.db2.gz VKNOHVWFXJVPAP-UXHICEINSA-N 0 0 422.573 5.797 50 0 biogenic HKAARN O=C(c1ccco1)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370161 569412726 /nfs/dbraw/zinc/41/27/26/569412726.db2.gz XYZYPDSRMNNHCB-SJORKVTESA-N 0 0 406.486 5.010 50 0 biogenic HKAARN O=C(c1cccs1)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370164 569412723 /nfs/dbraw/zinc/41/27/23/569412723.db2.gz KFLTYHKQDFXTFJ-SJORKVTESA-N 0 0 422.554 5.478 50 0 biogenic HKAARN O=C(C1CCCCC1)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370170 569412764 /nfs/dbraw/zinc/41/27/64/569412764.db2.gz SVIVCHNUVHIORV-UXHICEINSA-N 0 0 422.573 5.683 50 0 biogenic HKAARN Cc1c(NC(=O)C23CC4CC(CC(C4)C2)C3)cccc1-c1nc2ccccc2s1 ZINC000013370182 569412798 /nfs/dbraw/zinc/41/27/98/569412798.db2.gz DBYNTYYLMPDNQP-UHFFFAOYSA-N 0 0 402.563 6.427 50 0 HKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)NC2CCCCC2)[C@@H]1c1cccs1 ZINC000013370187 569412809 /nfs/dbraw/zinc/41/28/09/569412809.db2.gz DXZIJNZPNICUSR-FYXYJPLOSA-N 0 0 416.612 5.791 50 0 HKAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000013370198 558531022 /nfs/dbraw/zinc/53/10/22/558531022.db2.gz DZRKSWGGKFNRLO-KOEQRZSOSA-N 0 0 422.484 5.258 50 0 HKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2cccs2)N(C(=O)NC2CCCC2)[C@@H]1c1cccs1 ZINC000013370205 569412737 /nfs/dbraw/zinc/41/27/37/569412737.db2.gz WZJWXUFNMAABKQ-BZUPMSHVSA-N 0 0 402.585 5.401 50 0 HKAARN CCCNC(=O)N1[C@@H](c2ccc(C)s2)[C@H](C)C(=O)[C@H](C)[C@H]1c1ccc(C)s1 ZINC000013370226 569412770 /nfs/dbraw/zinc/41/27/70/569412770.db2.gz JTTUPFIXSMWWNL-DJDHSFSDSA-N 0 0 404.601 5.485 50 0 HKAARN Cc1cccc(-c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)n(-c3ccccc3)n2)c1 ZINC000013370382 569412802 /nfs/dbraw/zinc/41/28/02/569412802.db2.gz KVYBBWJZSAINRG-UHFFFAOYSA-N 0 0 411.549 6.003 50 0 HKAARN O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013370385 569412724 /nfs/dbraw/zinc/41/27/24/569412724.db2.gz ZKBHPPCLBRXLKB-UHFFFAOYSA-N 0 0 415.512 5.833 50 0 HKAARN CC(C)C(=O)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375896 569413220 /nfs/dbraw/zinc/41/32/20/569413220.db2.gz DFVFJALICMHWOU-UXHICEINSA-N 0 0 410.537 5.305 50 0 biogenic HKAARN CCCC(=O)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375897 569413148 /nfs/dbraw/zinc/41/31/48/569413148.db2.gz QZKACFYEWGUMOJ-UXHICEINSA-N 0 0 410.537 5.449 50 0 biogenic HKAARN CCCCC(=O)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375898 569413129 /nfs/dbraw/zinc/41/31/29/569413129.db2.gz IGTJCENZCGFWQH-RTWAWAEBSA-N 0 0 424.564 5.839 50 0 biogenic HKAARN CCC(=O)N1c2nc(-c3ccc(C)c(C)c3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375903 569413117 /nfs/dbraw/zinc/41/31/17/569413117.db2.gz NDVUVZZLAZEQEH-RTWAWAEBSA-N 0 0 406.574 5.537 50 0 biogenic HKAARN Cc1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3C(=O)C(C)C)cc1C ZINC000013375904 569413119 /nfs/dbraw/zinc/41/31/19/569413119.db2.gz CMGBPADWKPVVSG-YADHBBJMSA-N 0 0 420.601 5.783 50 0 biogenic HKAARN CCCC(=O)N1c2nc(-c3ccc(C)c(C)c3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375905 569413225 /nfs/dbraw/zinc/41/32/25/569413225.db2.gz ZVKJATDKYKNZSE-YADHBBJMSA-N 0 0 420.601 5.927 50 0 biogenic HKAARN CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000013381821 558531219 /nfs/dbraw/zinc/53/12/19/558531219.db2.gz WYDOYBRGEXKRFI-PWSZPPJVSA-N 0 0 406.570 5.978 50 0 HKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000013381995 569000438 /nfs/dbraw/zinc/00/04/38/569000438.db2.gz UMBVRXMFNZZUDG-SQHAQQRYSA-N 0 0 406.485 6.091 50 0 HKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000013381996 569000466 /nfs/dbraw/zinc/00/04/66/569000466.db2.gz UMBVRXMFNZZUDG-SHQCIBLASA-N 0 0 406.485 6.091 50 0 HKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000013382010 558531276 /nfs/dbraw/zinc/53/12/76/558531276.db2.gz LAHAMYHBEHFEST-OFNKIYASSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000013382011 558531279 /nfs/dbraw/zinc/53/12/79/558531279.db2.gz LAHAMYHBEHFEST-NFBKMPQASA-N 0 0 408.860 5.730 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013394560 569413238 /nfs/dbraw/zinc/41/32/38/569413238.db2.gz WNDNXRYHQFSJIR-UHFFFAOYSA-N 0 0 418.246 5.262 50 0 HKAARN COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)C2=CNc2ccccc2Cl)cc1 ZINC000013399043 569413263 /nfs/dbraw/zinc/41/32/63/569413263.db2.gz DZZNKUKNAZJXGF-HAHDFKILSA-N 0 0 420.871 5.871 50 0 HKAARN O=C(Nc1ccc(/C=C\c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000013404605 558531654 /nfs/dbraw/zinc/53/16/54/558531654.db2.gz OLWMSXPKBVMLAD-QXMHVHEDSA-N 0 0 418.496 6.362 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000013423965 569413883 /nfs/dbraw/zinc/41/38/83/569413883.db2.gz YVOYSBBSTQWAQX-UHFFFAOYSA-N 0 0 424.456 5.674 50 0 HKAARN Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1 ZINC000013449827 558532819 /nfs/dbraw/zinc/53/28/19/558532819.db2.gz JBWRZTKHMKVFMQ-UHFFFAOYSA-N 0 0 401.101 6.309 50 0 HKAARN Cc1c(C)c(C)c(C[C@H]2CC[C@@H](Cc3c(C)c(C)c(C)c(C)c3C)C2=O)c(C)c1C ZINC000013464400 558533050 /nfs/dbraw/zinc/53/30/50/558533050.db2.gz KUQNPHCJNMOZNG-WMPKNSHKSA-N 0 0 404.638 7.151 50 0 HKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@@H]2c1ccc(Cl)cc1Cl ZINC000013465787 558533299 /nfs/dbraw/zinc/53/32/99/558533299.db2.gz MIPAISKJWUAMTD-YSZBQJHXSA-N 0 0 423.299 6.298 50 0 HKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@@H]2c1ccc(Cl)cc1Cl ZINC000013465789 558533220 /nfs/dbraw/zinc/53/32/20/558533220.db2.gz MIPAISKJWUAMTD-SXSPYAJSSA-N 0 0 423.299 6.298 50 0 HKAARN Cc1ccc([S@@](C)(=O)=NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000013466060 558533326 /nfs/dbraw/zinc/53/33/26/558533326.db2.gz DCJRVNVWUFBINJ-HHHXNRCGSA-N 0 0 409.351 5.330 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC000013466066 558533341 /nfs/dbraw/zinc/53/33/41/558533341.db2.gz VKYJMGNRMYGTIA-SANMLTNESA-N 0 0 409.294 5.254 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N=[S@](C)(=O)c1ccccc1 ZINC000013466071 558533230 /nfs/dbraw/zinc/53/32/30/558533230.db2.gz MWULHYBQTWZBHM-AREMUKBSSA-N 0 0 409.294 5.254 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000013466116 558533363 /nfs/dbraw/zinc/53/33/63/558533363.db2.gz NCSRAWJZCOAFRJ-MHZLTWQESA-N 0 0 424.309 5.646 50 0 HKAARN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)N=[S@](C)(=O)c1ccc(C)cc1 ZINC000013466437 558533491 /nfs/dbraw/zinc/53/34/91/558533491.db2.gz VNBGLRSCXJINFF-XMMPIXPASA-N 0 0 413.973 5.017 50 0 HKAARN CCN(C(=O)c1cnc(NC(C)C)cc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000013467809 558533529 /nfs/dbraw/zinc/53/35/29/558533529.db2.gz HVYCEHABASSMLS-UHFFFAOYSA-N 0 0 420.262 5.894 50 0 HKAARN N=C1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013468784 558533497 /nfs/dbraw/zinc/53/34/97/558533497.db2.gz QUVGVQBXSOYDQW-UHFFFAOYSA-N 0 0 419.120 6.051 50 0 HKAARN COC(=O)C(=CNc1cccc(Cl)c1C)c1ncc(C(F)(F)F)cc1Cl ZINC000013470756 558472897 /nfs/dbraw/zinc/47/28/97/558472897.db2.gz IHSBHWRENQAALW-FLIBITNWSA-N 0 0 405.203 5.342 50 0 HKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1ccsc1 ZINC000013470874 560217139 /nfs/dbraw/zinc/21/71/39/560217139.db2.gz YOPBWSZRYHDZAA-DOFZRALJSA-N 0 0 400.628 7.937 50 0 in-vitro HKAARN O=C(/C=C/c1ccccc1)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000013471696 558534002 /nfs/dbraw/zinc/53/40/02/558534002.db2.gz UPYKSNSLZXCKJS-HKUPYCBJSA-N 0 0 421.176 5.958 50 0 HKAARN O=C(/C=C/c1ccccc1)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000013471699 558533958 /nfs/dbraw/zinc/53/39/58/558533958.db2.gz UPYKSNSLZXCKJS-RFKZRZAASA-N 0 0 421.176 5.958 50 0 HKAARN COc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000013482739 558534395 /nfs/dbraw/zinc/53/43/95/558534395.db2.gz PTNNZVXQWGIVTC-UHFFFAOYSA-N 0 0 406.551 5.212 50 0 HKAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1 ZINC000013483458 558534649 /nfs/dbraw/zinc/53/46/49/558534649.db2.gz TZERBKSHEIJEJO-QGZVFWFLSA-N 0 0 414.484 5.005 50 0 HKAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1 ZINC000013483460 558534600 /nfs/dbraw/zinc/53/46/00/558534600.db2.gz TZERBKSHEIJEJO-KRWDZBQOSA-N 0 0 414.484 5.005 50 0 HKAARN CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 ZINC000013483818 558713420 /nfs/dbraw/zinc/71/34/20/558713420.db2.gz XFYDTGAIJUJPRN-UHFFFAOYSA-N 0 0 407.514 5.356 50 0 HKAARN CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 ZINC000013483820 558713643 /nfs/dbraw/zinc/71/36/43/558713643.db2.gz RGHUIMOXDXKSCI-UHFFFAOYSA-N 0 0 407.514 5.275 50 0 HKAARN CCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013483840 558713909 /nfs/dbraw/zinc/71/39/09/558713909.db2.gz FEICJOUKEUWOSP-UHFFFAOYSA-N 0 0 407.514 5.394 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000013494651 558534761 /nfs/dbraw/zinc/53/47/61/558534761.db2.gz JHSBOTOGVJMYJQ-UHFFFAOYSA-N 0 0 420.490 5.241 50 0 HKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(Br)c1 ZINC000013494653 558534820 /nfs/dbraw/zinc/53/48/20/558534820.db2.gz XPVNTGNSYOSCCF-UHFFFAOYSA-N 0 0 408.255 5.213 50 0 HKAARN COc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC ZINC000013496562 558535096 /nfs/dbraw/zinc/53/50/96/558535096.db2.gz FZZBVWVETOTCTF-UHFFFAOYSA-N 0 0 407.901 5.367 50 0 HKAARN Cc1ccc(CNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc43)CC2)cc1 ZINC000013496841 558811840 /nfs/dbraw/zinc/81/18/40/558811840.db2.gz YPFFKGCYPBUTRW-UHFFFAOYSA-N 0 0 420.582 5.136 50 0 HKAARN O=C(NCCC1=CCCCC1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000013496847 558811789 /nfs/dbraw/zinc/81/17/89/558811789.db2.gz UJFAECHDVGOFDQ-UHFFFAOYSA-N 0 0 424.614 5.517 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)CCCCCNc1[nH]c(=S)nc2ccccc21 ZINC000013496850 558811797 /nfs/dbraw/zinc/81/17/97/558811797.db2.gz FTXWQZRJVVMNOE-SFHVURJKSA-N 0 0 422.598 5.402 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)CCCCCNc1[nH]c(=S)nc2ccccc21 ZINC000013496851 558811811 /nfs/dbraw/zinc/81/18/11/558811811.db2.gz FTXWQZRJVVMNOE-GOSISDBHSA-N 0 0 422.598 5.402 50 0 HKAARN O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)NCc1ccccc1Cl ZINC000013496853 558811809 /nfs/dbraw/zinc/81/18/09/558811809.db2.gz GUOYPKKMJAOWHT-UHFFFAOYSA-N 0 0 414.962 5.234 50 0 HKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000013496986 558535108 /nfs/dbraw/zinc/53/51/08/558535108.db2.gz AONSBJDHPHINKE-QHCPKHFHSA-N 0 0 417.534 5.252 50 0 HKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000013496988 558535090 /nfs/dbraw/zinc/53/50/90/558535090.db2.gz AONSBJDHPHINKE-HSZRJFAPSA-N 0 0 417.534 5.252 50 0 HKAARN c1ccc(C2=NN3C(c4ccccc4)=C[C@@H](c4ccccc4)[C@@H]4CCCC[C@]43O2)cc1 ZINC000013509579 558535287 /nfs/dbraw/zinc/53/52/87/558535287.db2.gz ZJXHXEHIKDXOSE-VBOOUTDYSA-N 0 0 406.529 6.405 50 0 HKAARN c1ccc(C2=NN3C(c4ccccc4)=C[C@H](c4ccccc4)[C@@H]4CCCC[C@]43O2)cc1 ZINC000013509585 558535306 /nfs/dbraw/zinc/53/53/06/558535306.db2.gz ZJXHXEHIKDXOSE-QQNWGBJXSA-N 0 0 406.529 6.405 50 0 HKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000013509862 558535366 /nfs/dbraw/zinc/53/53/66/558535366.db2.gz JEGSTYQJOBBYIE-IXCJQBJRSA-N 0 0 402.497 6.596 50 0 HKAARN CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]3CO1 ZINC000013510482 558535272 /nfs/dbraw/zinc/53/52/72/558535272.db2.gz FVYWBKDBHKJWES-AWVRMFGXSA-N 0 0 409.529 6.235 50 0 HKAARN c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@@]34CCCC[C@@H]24)cc1 ZINC000013510656 558535565 /nfs/dbraw/zinc/53/55/65/558535565.db2.gz SZOCNTHWLVFMCN-WIDNXDAUSA-N 0 0 405.541 6.927 50 0 HKAARN O[C@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2nc1-c1cccnc1 ZINC000013510798 558535592 /nfs/dbraw/zinc/53/55/92/558535592.db2.gz AELAHDARQOQTOD-HXUWFJFHSA-N 0 0 418.500 5.267 50 0 HKAARN O[C@@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2nc1-c1cccnc1 ZINC000013510800 558535543 /nfs/dbraw/zinc/53/55/43/558535543.db2.gz AELAHDARQOQTOD-FQEVSTJZSA-N 0 0 418.500 5.267 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 ZINC000013510956 558835628 /nfs/dbraw/zinc/83/56/28/558835628.db2.gz OQZNSCZZVINNGJ-VFHOHQAYSA-N 0 0 414.549 6.314 50 0 HKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 ZINC000013510960 558835664 /nfs/dbraw/zinc/83/56/64/558835664.db2.gz OQZNSCZZVINNGJ-YQIFXUADSA-N 0 0 414.549 6.314 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000013511450 558835735 /nfs/dbraw/zinc/83/57/35/558835735.db2.gz RTWJWBHBAPLOFN-QHCPKHFHSA-N 0 0 423.560 6.037 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000013511453 558835739 /nfs/dbraw/zinc/83/57/39/558835739.db2.gz RTWJWBHBAPLOFN-HSZRJFAPSA-N 0 0 423.560 6.037 50 0 HKAARN c1c(-c2ccc(-c3ccccc3)cc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000013511626 558835695 /nfs/dbraw/zinc/83/56/95/558835695.db2.gz LKYVTYJTUNXWNP-UHFFFAOYSA-N 0 0 424.507 6.792 50 0 HKAARN COc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000013511670 558535665 /nfs/dbraw/zinc/53/56/65/558535665.db2.gz LPUBXMBXJSSDKE-UHFFFAOYSA-N 0 0 409.489 5.138 50 0 HKAARN Cc1ccccc1-n1c(/C=C/c2cccc(Br)c2)nc2ccccc2c1=O ZINC000013512175 558535823 /nfs/dbraw/zinc/53/58/23/558535823.db2.gz PDKDVMZJMZGJMI-BUHFOSPRSA-N 0 0 417.306 5.627 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)o1 ZINC000013512229 558535813 /nfs/dbraw/zinc/53/58/13/558535813.db2.gz QOIYWKCQFBKIPA-URXFXBBRSA-N 0 0 406.913 6.607 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)o1 ZINC000013512233 558535840 /nfs/dbraw/zinc/53/58/40/558535840.db2.gz QOIYWKCQFBKIPA-QPPBQGQZSA-N 0 0 406.913 6.607 50 0 HKAARN N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(Br)cc1 ZINC000013512274 558535830 /nfs/dbraw/zinc/53/58/30/558535830.db2.gz KJZIMBQSPZUIJU-UHFFFAOYSA-N 0 0 412.070 5.234 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2O)n1-c1ccccc1 ZINC000013512708 558535869 /nfs/dbraw/zinc/53/58/69/558535869.db2.gz BFXJWKRGONTYDL-ACCUITESSA-N 0 0 419.278 5.024 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013514195 558536025 /nfs/dbraw/zinc/53/60/25/558536025.db2.gz ZGSHWIMDEDOAJS-UHFFFAOYSA-N 0 0 408.929 5.465 50 0 HKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000013514197 558536126 /nfs/dbraw/zinc/53/61/26/558536126.db2.gz HWEBPLPIXTYAGO-UHFFFAOYSA-N 0 0 422.510 5.034 50 0 HKAARN Cc1sc2nc(SCc3c(F)cccc3F)n(Cc3ccco3)c(=O)c2c1C ZINC000013514390 558536173 /nfs/dbraw/zinc/53/61/73/558536173.db2.gz KHRHTEVUICEIHI-UHFFFAOYSA-N 0 0 418.490 5.287 50 0 HKAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000013518279 558536402 /nfs/dbraw/zinc/53/64/02/558536402.db2.gz QZDRVVKJGIFKFJ-NRFANRHFSA-N 0 0 409.489 5.412 50 0 HKAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000013518283 558536252 /nfs/dbraw/zinc/53/62/52/558536252.db2.gz QZDRVVKJGIFKFJ-OAQYLSRUSA-N 0 0 409.489 5.412 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013518332 558536354 /nfs/dbraw/zinc/53/63/54/558536354.db2.gz IUHPTMZREPSSTH-QFIPXVFZSA-N 0 0 409.489 5.412 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013518336 558536367 /nfs/dbraw/zinc/53/63/67/558536367.db2.gz IUHPTMZREPSSTH-JOCHJYFZSA-N 0 0 409.489 5.412 50 0 HKAARN O=C1C[C@@H](c2cccs2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013518340 558536296 /nfs/dbraw/zinc/53/62/96/558536296.db2.gz NVUBZKXTFUWRQS-KRWDZBQOSA-N 0 0 405.910 5.728 50 0 HKAARN O=C1C[C@H](c2cccs2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013518344 558536317 /nfs/dbraw/zinc/53/63/17/558536317.db2.gz NVUBZKXTFUWRQS-QGZVFWFLSA-N 0 0 405.910 5.728 50 0 HKAARN O=C1C[C@@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013518356 558536283 /nfs/dbraw/zinc/53/62/83/558536283.db2.gz DJXNGLAEVPMYOO-SFHVURJKSA-N 0 0 405.910 5.728 50 0 HKAARN O=C1C[C@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000013518360 558536379 /nfs/dbraw/zinc/53/63/79/558536379.db2.gz DJXNGLAEVPMYOO-GOSISDBHSA-N 0 0 405.910 5.728 50 0 HKAARN Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3ccccc3s2)c1O ZINC000013519424 558536548 /nfs/dbraw/zinc/53/65/48/558536548.db2.gz TYQUVBHEIMIUML-UHFFFAOYSA-N 0 0 418.474 5.001 50 0 HKAARN CC(=O)c1cccc(NC(=S)Nc2ccn(Cc3cccc4ccccc43)n2)c1 ZINC000013519770 558536499 /nfs/dbraw/zinc/53/64/99/558536499.db2.gz WAKZSBGOYYJGCH-UHFFFAOYSA-N 0 0 400.507 5.096 50 0 HKAARN CCc1ccccc1NC(=S)N(Cc1ccc(F)cc1)CP(=O)(OC)OC ZINC000013521015 558835918 /nfs/dbraw/zinc/83/59/18/558835918.db2.gz LGRREYDBSYFTEM-UHFFFAOYSA-N 0 0 410.451 5.031 50 0 HKAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013522972 558536539 /nfs/dbraw/zinc/53/65/39/558536539.db2.gz RBRNOLDGXFUVDQ-UHFFFAOYSA-N 0 0 423.361 6.150 50 0 HKAARN CSc1nc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000013524440 558536738 /nfs/dbraw/zinc/53/67/38/558536738.db2.gz VXPWQNBKEIVYIS-HNNXBMFYSA-N 0 0 404.514 6.173 50 0 in-vivo HKAARN COc1cc(OC)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl ZINC000013525556 558836172 /nfs/dbraw/zinc/83/61/72/558836172.db2.gz ZKOWIRAMZCKCSK-UHFFFAOYSA-N 0 0 418.704 5.462 50 0 HKAARN Cc1cccc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013525853 558536837 /nfs/dbraw/zinc/53/68/37/558536837.db2.gz WNQOTSYFWDSKAJ-OYRHEFFESA-N 0 0 412.533 5.133 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1F ZINC000013532504 558537043 /nfs/dbraw/zinc/53/70/43/558537043.db2.gz JENDHFPFRKULEN-OAHLLOKOSA-N 0 0 407.876 5.368 50 0 HKAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1F ZINC000013532508 558537020 /nfs/dbraw/zinc/53/70/20/558537020.db2.gz JENDHFPFRKULEN-HNNXBMFYSA-N 0 0 407.876 5.368 50 0 HKAARN CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccc(Cl)cc1 ZINC000013532865 558537071 /nfs/dbraw/zinc/53/70/71/558537071.db2.gz CTHGXRYFGGTATG-UHFFFAOYSA-N 0 0 423.900 5.099 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccccc2)cc1 ZINC000013534455 558537330 /nfs/dbraw/zinc/53/73/30/558537330.db2.gz XQTYULZPLSANBU-UHFFFAOYSA-N 0 0 423.285 6.321 50 0 HKAARN COc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000013534954 558537295 /nfs/dbraw/zinc/53/72/95/558537295.db2.gz DCSRVNXDNSDMHW-UHFFFAOYSA-N 0 0 400.522 5.970 50 0 HKAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013535262 558537206 /nfs/dbraw/zinc/53/72/06/558537206.db2.gz HWOMHNHGKRJXDG-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013535267 558537256 /nfs/dbraw/zinc/53/72/56/558537256.db2.gz HWOMHNHGKRJXDG-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1OC ZINC000013537853 569255903 /nfs/dbraw/zinc/25/59/03/569255903.db2.gz ZLLKZQXJMSTOFY-UHFFFAOYSA-N 0 0 406.467 5.020 50 0 HKAARN CCOC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000013540785 558537437 /nfs/dbraw/zinc/53/74/37/558537437.db2.gz DONNKEVWLHAFPC-UHFFFAOYSA-N 0 0 403.457 5.013 50 0 HKAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000013540956 558537667 /nfs/dbraw/zinc/53/76/67/558537667.db2.gz PXZBXUACWJKEFM-XXBNENTESA-N 0 0 412.917 5.177 50 0 HKAARN CC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(N)=S)cc1 ZINC000013545793 558842659 /nfs/dbraw/zinc/84/26/59/558842659.db2.gz VTMMVYNXENQRBB-GOSISDBHSA-N 0 0 402.361 5.588 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000013548684 571305779 /nfs/dbraw/zinc/30/57/79/571305779.db2.gz JAMJNCJSFDLQFJ-ZHACJKMWSA-N 0 0 421.503 5.369 50 0 HKAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1cccc(Cl)c1 ZINC000013549066 558538472 /nfs/dbraw/zinc/53/84/72/558538472.db2.gz RKVRTJFDFWTZSE-UHFFFAOYSA-N 0 0 409.696 5.265 50 0 HKAARN CC[C@H](c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 ZINC000013550287 558538937 /nfs/dbraw/zinc/53/89/37/558538937.db2.gz PNCXRKQXRVOHPF-ZDUSSCGKSA-N 0 0 407.326 6.031 50 0 HKAARN CC[C@@H](c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 ZINC000013550289 558538950 /nfs/dbraw/zinc/53/89/50/558538950.db2.gz PNCXRKQXRVOHPF-CYBMUJFWSA-N 0 0 407.326 6.031 50 0 HKAARN CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000013550398 558538978 /nfs/dbraw/zinc/53/89/78/558538978.db2.gz NTDKTZIBONZURH-UHFFFAOYSA-N 0 0 423.325 5.945 50 0 HKAARN COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000013550422 569255881 /nfs/dbraw/zinc/25/58/81/569255881.db2.gz IPDRVYUBQRQNQI-BUHFOSPRSA-N 0 0 422.406 5.584 50 0 HKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013550644 558538969 /nfs/dbraw/zinc/53/89/69/558538969.db2.gz GZIHAWSJLXDPJM-OFVILXPXSA-N 0 0 412.420 5.174 50 0 HKAARN O=c1c2cc(F)ccc2occ1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013550647 558538996 /nfs/dbraw/zinc/53/89/96/558538996.db2.gz GZIHAWSJLXDPJM-BWKNWUBXSA-N 0 0 412.420 5.174 50 0 HKAARN C/C(Cl)=C/CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 ZINC000013551229 558539111 /nfs/dbraw/zinc/53/91/11/558539111.db2.gz BVZITQNWAOSFRN-LCYFTJDESA-N 0 0 402.972 5.479 50 0 HKAARN CC(C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013551967 558539343 /nfs/dbraw/zinc/53/93/43/558539343.db2.gz WVTUPHUAEHTHQB-HSZRJFAPSA-N 0 0 417.940 5.865 50 0 HKAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013551970 558539403 /nfs/dbraw/zinc/53/94/03/558539403.db2.gz WVTUPHUAEHTHQB-QHCPKHFHSA-N 0 0 417.940 5.865 50 0 HKAARN O=C(Nc1sc(NC(=O)c2cccs2)nc1-c1cccs1)c1ccco1 ZINC000013552310 558539414 /nfs/dbraw/zinc/53/94/14/558539414.db2.gz UPYBVLSKZZDGCL-UHFFFAOYSA-N 0 0 401.494 5.031 50 0 HKAARN Cc1ccc(-c2nc(NC(=O)C3CC3)sc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000013552889 558539596 /nfs/dbraw/zinc/53/95/96/558539596.db2.gz LEGURJWWEKTTMG-UHFFFAOYSA-N 0 0 411.914 5.373 50 0 HKAARN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000013552940 558539552 /nfs/dbraw/zinc/53/95/52/558539552.db2.gz XSUSGTXNAUHQJY-XNTDXEJSSA-N 0 0 417.306 5.627 50 0 HKAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000013553145 558539799 /nfs/dbraw/zinc/53/97/99/558539799.db2.gz BYWBJRZLPVMPJX-FQEVSTJZSA-N 0 0 415.559 5.048 50 0 HKAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000013553146 558539878 /nfs/dbraw/zinc/53/98/78/558539878.db2.gz BYWBJRZLPVMPJX-HXUWFJFHSA-N 0 0 415.559 5.048 50 0 HKAARN COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)sc3ccccc3c2=O)cc1 ZINC000013554690 558539886 /nfs/dbraw/zinc/53/98/86/558539886.db2.gz OSFAGTKJANRTHB-UHFFFAOYSA-N 0 0 421.905 5.843 50 0 HKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc(Cl)c1)c1cccs1 ZINC000013557539 558540262 /nfs/dbraw/zinc/54/02/62/558540262.db2.gz LPLSZGQSAVTCPV-UHFFFAOYSA-N 0 0 416.285 6.081 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1)C(C)(C)N2 ZINC000013562036 558540518 /nfs/dbraw/zinc/54/05/18/558540518.db2.gz ZVWBWJYSHDSIDF-QOCHGBHMSA-N 0 0 402.972 6.422 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(F)c(Cl)c1)C(C)(C)N2 ZINC000013562044 558540582 /nfs/dbraw/zinc/54/05/82/558540582.db2.gz SLWUWPDHWJUQAA-NMWGTECJSA-N 0 0 420.962 6.561 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013562340 558540555 /nfs/dbraw/zinc/54/05/55/558540555.db2.gz JTDNFYAOHPSUBJ-CXSMSNRLSA-N 0 0 411.476 5.064 50 0 HKAARN CCCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCCC ZINC000013562975 558540525 /nfs/dbraw/zinc/54/05/25/558540525.db2.gz OXFFYCMTRGFSGY-ULBZPVTCSA-N 0 0 406.522 5.196 50 0 HKAARN Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000013563538 558540806 /nfs/dbraw/zinc/54/08/06/558540806.db2.gz PWYBDJBJBDXVMU-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN CC(C)CCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013563599 558540783 /nfs/dbraw/zinc/54/07/83/558540783.db2.gz VDQOHIXPZHBQBL-DEOSSOPVSA-N 0 0 411.549 5.796 50 0 HKAARN COc1ccc(Br)cc1-c1nc(-c2ccc(F)cc2)c(-c2ccccc2)[nH]1 ZINC000013563673 558540809 /nfs/dbraw/zinc/54/08/09/558540809.db2.gz RDUYWIXGHVHTDH-UHFFFAOYSA-N 0 0 423.285 6.321 50 0 HKAARN COc1ccccc1-n1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000013563714 558540718 /nfs/dbraw/zinc/54/07/18/558540718.db2.gz IULZHKKORVBGBT-ACCUITESSA-N 0 0 423.299 5.872 50 0 HKAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000013564198 558540780 /nfs/dbraw/zinc/54/07/80/558540780.db2.gz QZBSEDDQBIDKNI-SDNWHVSQSA-N 0 0 407.491 5.171 50 0 biogenic HKAARN C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000013564218 558540751 /nfs/dbraw/zinc/54/07/51/558540751.db2.gz RWYJGBVEFUSHPD-OAHLLOKOSA-N 0 0 407.876 5.368 50 0 HKAARN C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000013564220 558540760 /nfs/dbraw/zinc/54/07/60/558540760.db2.gz RWYJGBVEFUSHPD-HNNXBMFYSA-N 0 0 407.876 5.368 50 0 HKAARN Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 ZINC000013564469 558540820 /nfs/dbraw/zinc/54/08/20/558540820.db2.gz YZNOPUBRDFFIES-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000013564529 558540814 /nfs/dbraw/zinc/54/08/14/558540814.db2.gz SFPMEIRXTBNFCB-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3)c(=O)[nH]c12 ZINC000013564538 558540838 /nfs/dbraw/zinc/54/08/38/558540838.db2.gz WEERLACQVZKYKD-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN C[C@@H]1CN(C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565399 558843769 /nfs/dbraw/zinc/84/37/69/558843769.db2.gz NATIKTRDTUWVJS-OLZOCXBDSA-N 0 0 407.495 5.512 50 0 HKAARN C[C@H]1CN(C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565400 558843795 /nfs/dbraw/zinc/84/37/95/558843795.db2.gz NATIKTRDTUWVJS-STQMWFEESA-N 0 0 407.495 5.512 50 0 HKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000013568039 558541508 /nfs/dbraw/zinc/54/15/08/558541508.db2.gz FWSJFPYYILIBJE-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000013568040 558541440 /nfs/dbraw/zinc/54/14/40/558541440.db2.gz NAIHLOOZSGXQKX-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000013569337 558541539 /nfs/dbraw/zinc/54/15/39/558541539.db2.gz CRYOPAHKRNGWSZ-UHFFFAOYSA-N 0 0 413.717 5.733 50 0 HKAARN O=C(CCc1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000013569936 558541723 /nfs/dbraw/zinc/54/17/23/558541723.db2.gz AJBIXNAPELBFOY-UHFFFAOYSA-N 0 0 423.519 5.288 50 0 HKAARN CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000013570383 558541917 /nfs/dbraw/zinc/54/19/17/558541917.db2.gz WSDRDBHWIOKFSY-CQSZACIVSA-N 0 0 412.515 5.283 50 0 HKAARN CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000013570384 558542025 /nfs/dbraw/zinc/54/20/25/558542025.db2.gz WSDRDBHWIOKFSY-AWEZNQCLSA-N 0 0 412.515 5.283 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)c1 ZINC000013570403 558542024 /nfs/dbraw/zinc/54/20/24/558542024.db2.gz XDICGIFMGBUGEA-UHFFFAOYSA-N 0 0 416.506 5.371 50 0 HKAARN Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000013570504 558542017 /nfs/dbraw/zinc/54/20/17/558542017.db2.gz XLEOXMNOPIOBQM-UHFFFAOYSA-N 0 0 409.298 5.376 50 0 HKAARN COc1ccc(CCC(=O)Nc2nc(-c3c(C)[nH]c4ccc(OC)cc43)cs2)cc1 ZINC000013570709 558542149 /nfs/dbraw/zinc/54/21/49/558542149.db2.gz JUXGQGGICHZSLC-UHFFFAOYSA-N 0 0 421.522 5.188 50 0 HKAARN O=C(Nc1sc(NC(=O)c2cccc(F)c2)nc1-c1cccs1)c1ccco1 ZINC000013571016 558542050 /nfs/dbraw/zinc/54/20/50/558542050.db2.gz KZEZSDCPJPNMCL-UHFFFAOYSA-N 0 0 413.455 5.108 50 0 HKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1)c1cccs1 ZINC000013572048 558542333 /nfs/dbraw/zinc/54/23/33/558542333.db2.gz KNEDMPIYZGKZAY-UHFFFAOYSA-N 0 0 416.285 6.081 50 0 HKAARN Cc1ccc(SC(=C(c2nc3cc(C)ccc3[nH]2)[N+](=O)[O-])C(Cl)Cl)cc1 ZINC000013572198 558844671 /nfs/dbraw/zinc/84/46/71/558844671.db2.gz XFWRGFLXRYTXBY-SDXDJHTJSA-N 0 0 408.310 6.026 50 0 HKAARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1ccccc1Br ZINC000013573952 558543028 /nfs/dbraw/zinc/54/30/28/558543028.db2.gz OZTZZVKOZRSDRC-DHDCSXOGSA-N 0 0 423.719 5.208 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Br ZINC000013574308 558844984 /nfs/dbraw/zinc/84/49/84/558844984.db2.gz UHNNIQSIIXIVOZ-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Cc1ccc(C)c(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 ZINC000013574394 569256163 /nfs/dbraw/zinc/25/61/63/569256163.db2.gz ULYCUAZVSJTQJF-UHFFFAOYSA-N 0 0 415.562 5.848 50 0 HKAARN O=C(NCc1nc2c(s1)CCCCC2)N1c2ccccc2Sc2ccccc21 ZINC000013574546 569256167 /nfs/dbraw/zinc/25/61/67/569256167.db2.gz HEUSTGWDIGPINN-UHFFFAOYSA-N 0 0 407.564 5.925 50 0 HKAARN COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 ZINC000013574561 569256147 /nfs/dbraw/zinc/25/61/47/569256147.db2.gz VNWBPQXFEGTRLY-UHFFFAOYSA-N 0 0 406.507 5.259 50 0 HKAARN O=C(NCc1cccc(Cl)c1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013574577 132457422 /nfs/dbraw/zinc/45/74/22/132457422.db2.gz PHWKBVGGUVBXCY-UHFFFAOYSA-N 0 0 401.318 6.506 50 0 HKAARN COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000013574588 558844086 /nfs/dbraw/zinc/84/40/86/558844086.db2.gz POCKVAUSNFWRMW-UHFFFAOYSA-N 0 0 406.507 5.259 50 0 HKAARN O=C(NCc1cccc(C(F)(F)F)c1)N1c2ccccc2Sc2ccccc21 ZINC000013574592 569256134 /nfs/dbraw/zinc/25/61/34/569256134.db2.gz KKCOVQYFQVNUIR-UHFFFAOYSA-N 0 0 400.425 6.218 50 0 HKAARN O=C(NCc1ccc(C(F)(F)F)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013574598 569256192 /nfs/dbraw/zinc/25/61/92/569256192.db2.gz ZQKYLERAUNEOPI-UHFFFAOYSA-N 0 0 400.425 6.218 50 0 HKAARN O=C(NCc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21 ZINC000013574603 569256169 /nfs/dbraw/zinc/25/61/69/569256169.db2.gz PFUPZAIOTSZUDB-UHFFFAOYSA-N 0 0 401.318 6.506 50 0 HKAARN COc1cc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1OC ZINC000013574636 536787290 /nfs/dbraw/zinc/78/72/90/536787290.db2.gz JONHBPYPHPTDQA-UHFFFAOYSA-N 0 0 422.506 5.225 50 0 HKAARN O=C(COC(=O)c1c2ccccc2nc2c1C[C@@H](c1ccccc1)CC2)c1ccccc1 ZINC000013575326 569256158 /nfs/dbraw/zinc/25/61/58/569256158.db2.gz YEDIRHDVUCPYKA-NRFANRHFSA-N 0 0 421.496 5.547 50 0 HKAARN O=C(COC(=O)c1c2ccccc2nc2c1C[C@H](c1ccccc1)CC2)c1ccccc1 ZINC000013575328 569256128 /nfs/dbraw/zinc/25/61/28/569256128.db2.gz YEDIRHDVUCPYKA-OAQYLSRUSA-N 0 0 421.496 5.547 50 0 HKAARN Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000013576169 569256272 /nfs/dbraw/zinc/25/62/72/569256272.db2.gz SFFBEHOYCJMNKK-FQEVSTJZSA-N 0 0 424.909 5.139 50 0 HKAARN CCCCOc1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(OCCCC)cc2)cc1 ZINC000013576289 558844096 /nfs/dbraw/zinc/84/40/96/558844096.db2.gz HNDDMVNOCNVGLT-PSWAGMNNSA-N 0 0 416.514 5.201 50 0 HKAARN c1ccc(-c2ccc(O[C@H]3OCCO[C@H]3Oc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000013576293 558844098 /nfs/dbraw/zinc/84/40/98/558844098.db2.gz YLJPPQWLDXIAMQ-HNRBIFIRSA-N 0 0 424.496 6.177 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl ZINC000013576457 558844123 /nfs/dbraw/zinc/84/41/23/558844123.db2.gz OFTFWTCKJPSMMA-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN CSc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1 ZINC000013576792 558543574 /nfs/dbraw/zinc/54/35/74/558543574.db2.gz MOHCBHTYQUKYNG-FXBPSFAMSA-N 0 0 417.511 5.618 50 0 HKAARN CC[C@@H](C(=O)NCCCCCCNC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000013576879 558543777 /nfs/dbraw/zinc/54/37/77/558543777.db2.gz ZOLXMMVJBCMZED-PSWAGMNNSA-N 0 0 408.586 5.167 50 0 HKAARN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c(C)c1 ZINC000013577154 558844081 /nfs/dbraw/zinc/84/40/81/558844081.db2.gz DFQXSXPRPJMBGK-FATVKVNYSA-N 0 0 421.540 5.855 50 0 HKAARN CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 ZINC000013578941 569256235 /nfs/dbraw/zinc/25/62/35/569256235.db2.gz YBTWZGTUILLCNZ-FQEVSTJZSA-N 0 0 424.566 5.110 50 0 HKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000013579087 569256324 /nfs/dbraw/zinc/25/63/24/569256324.db2.gz YNKOJXKKVMOZJC-UHFFFAOYSA-N 0 0 418.521 6.348 50 0 HKAARN O=C(NC1CCCCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579398 569256511 /nfs/dbraw/zinc/25/65/11/569256511.db2.gz RZWXFIBQQQXXAI-ULJHMMPZSA-N 0 0 415.537 5.168 50 0 HKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000013581766 558545085 /nfs/dbraw/zinc/54/50/85/558545085.db2.gz FTMGQJGHEWYTAY-UHFFFAOYSA-N 0 0 423.369 5.957 50 0 HKAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000013582388 558545120 /nfs/dbraw/zinc/54/51/20/558545120.db2.gz HFVQDPBSKISUHV-CYBMUJFWSA-N 0 0 414.292 5.475 50 0 HKAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000013582391 558545276 /nfs/dbraw/zinc/54/52/76/558545276.db2.gz HFVQDPBSKISUHV-ZDUSSCGKSA-N 0 0 414.292 5.475 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)c1 ZINC000013582581 558545292 /nfs/dbraw/zinc/54/52/92/558545292.db2.gz ZZPVJHIZJJIHFQ-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000013583094 558545519 /nfs/dbraw/zinc/54/55/19/558545519.db2.gz YIVYQIXTTHHSIR-DENIHFKCSA-N 0 0 417.336 5.822 50 0 HKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000013583097 558545499 /nfs/dbraw/zinc/54/54/99/558545499.db2.gz YIVYQIXTTHHSIR-KNQAVFIVSA-N 0 0 417.336 5.822 50 0 HKAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000013583773 558545687 /nfs/dbraw/zinc/54/56/87/558545687.db2.gz WUWFNZDTSGKIOL-UHFFFAOYSA-N 0 0 412.489 5.082 50 0 HKAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)Nc1cccc(Cl)c1 ZINC000013584026 558545678 /nfs/dbraw/zinc/54/56/78/558545678.db2.gz UYTMBDZMAAQTPK-UHFFFAOYSA-N 0 0 422.666 5.014 50 0 HKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 ZINC000013584340 558545722 /nfs/dbraw/zinc/54/57/22/558545722.db2.gz MAIFOQMMOSKZPS-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000013584423 558545671 /nfs/dbraw/zinc/54/56/71/558545671.db2.gz MCTMNNYPYMGTFV-GOSISDBHSA-N 0 0 421.305 5.126 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013584426 558545659 /nfs/dbraw/zinc/54/56/59/558545659.db2.gz MCTMNNYPYMGTFV-SFHVURJKSA-N 0 0 421.305 5.126 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)cc1 ZINC000013584618 558545674 /nfs/dbraw/zinc/54/56/74/558545674.db2.gz QLYRQKCPDHFYEF-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Oc1ccc(-c2c(-c3ccccc3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000013584996 558545735 /nfs/dbraw/zinc/54/57/35/558545735.db2.gz AEZPAUSGTAHLOQ-UHFFFAOYSA-N 0 0 423.316 5.807 50 0 in-vitro HKAARN O=c1/c(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2nc3ccccc3n12 ZINC000013590212 558545815 /nfs/dbraw/zinc/54/58/15/558545815.db2.gz WTFFRDJLKHXGNU-VCHYOVAHSA-N 0 0 413.285 5.024 50 0 HKAARN CCCn1c(/C=C(\OC(=O)c2ccc(C)cc2)c2ccc(C)cc2)nc2ccccc21 ZINC000013590337 558545934 /nfs/dbraw/zinc/54/59/34/558545934.db2.gz GEBLJRRSHBOSIJ-BWAHOGKJSA-N 0 0 410.517 6.418 50 0 HKAARN CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 ZINC000013592692 558546370 /nfs/dbraw/zinc/54/63/70/558546370.db2.gz NRNRYUUUBITFNB-YCRNBWNJSA-N 0 0 416.521 5.839 50 0 HKAARN CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 ZINC000013592696 558546412 /nfs/dbraw/zinc/54/64/12/558546412.db2.gz NRNRYUUUBITFNB-YYDVJCTNSA-N 0 0 416.521 5.839 50 0 HKAARN CSc1nsc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000013592961 558546326 /nfs/dbraw/zinc/54/63/26/558546326.db2.gz LPDGDLSCEVECKC-UHFFFAOYSA-N 0 0 423.972 5.437 50 0 HKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@@H](c2ccccc2)C1 ZINC000013594821 558546974 /nfs/dbraw/zinc/54/69/74/558546974.db2.gz UZIZJBJOFUMODC-MRXNPFEDSA-N 0 0 414.864 5.066 50 0 HKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@H](c2ccccc2)C1 ZINC000013594823 558546983 /nfs/dbraw/zinc/54/69/83/558546983.db2.gz UZIZJBJOFUMODC-INIZCTEOSA-N 0 0 414.864 5.066 50 0 HKAARN COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cc(C)ccc1C ZINC000013595928 558547090 /nfs/dbraw/zinc/54/70/90/558547090.db2.gz RMDOQKHZLLZQDO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CCCCCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013596136 558547137 /nfs/dbraw/zinc/54/71/37/558547137.db2.gz RZRYGJVGLSHGQY-XMMPIXPASA-N 0 0 411.549 5.940 50 0 HKAARN CCCCCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013596139 558547096 /nfs/dbraw/zinc/54/70/96/558547096.db2.gz RZRYGJVGLSHGQY-DEOSSOPVSA-N 0 0 411.549 5.940 50 0 HKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 ZINC000013596371 558547035 /nfs/dbraw/zinc/54/70/35/558547035.db2.gz BTWMFJJATGYEEU-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013596539 558547364 /nfs/dbraw/zinc/54/73/64/558547364.db2.gz ZCDULTRZUINGOT-UHFFFAOYSA-N 0 0 424.544 5.981 50 0 HKAARN C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013597180 558547401 /nfs/dbraw/zinc/54/74/01/558547401.db2.gz OFUUHFIBPLQLNH-LGHUBQEGSA-N 0 0 415.924 5.629 50 0 HKAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013597183 558547433 /nfs/dbraw/zinc/54/74/33/558547433.db2.gz OFUUHFIBPLQLNH-JJJPLKNQSA-N 0 0 415.924 5.629 50 0 HKAARN COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000013597264 558547451 /nfs/dbraw/zinc/54/74/51/558547451.db2.gz GWLNEVQLZCIYQC-INIZCTEOSA-N 0 0 419.912 5.238 50 0 HKAARN COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000013597267 558547320 /nfs/dbraw/zinc/54/73/20/558547320.db2.gz GWLNEVQLZCIYQC-MRXNPFEDSA-N 0 0 419.912 5.238 50 0 HKAARN CCOC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013597270 558547379 /nfs/dbraw/zinc/54/73/79/558547379.db2.gz IEVKEJDESCHXNB-UHFFFAOYSA-N 0 0 421.547 5.050 50 0 HKAARN CCCCCCn1c2ccccc2nc1[C@@H](CCSC)NC(=O)c1ccccc1 ZINC000013597861 558547608 /nfs/dbraw/zinc/54/76/08/558547608.db2.gz QINXQNQHHZMYMV-OAQYLSRUSA-N 0 0 409.599 5.841 50 0 HKAARN CCCCCCn1c2ccccc2nc1[C@H](CCSC)NC(=O)c1ccccc1 ZINC000013597864 558547561 /nfs/dbraw/zinc/54/75/61/558547561.db2.gz QINXQNQHHZMYMV-NRFANRHFSA-N 0 0 409.599 5.841 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)c1 ZINC000013598030 558547624 /nfs/dbraw/zinc/54/76/24/558547624.db2.gz DBBVVWDFXJZVLD-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN C/C(Cl)=C/CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000013598297 558547585 /nfs/dbraw/zinc/54/75/85/558547585.db2.gz RBKJVQFTGKUMAN-RAXLEYEMSA-N 0 0 423.994 6.630 50 0 HKAARN O=c1c2cc(Br)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1 ZINC000013598412 558547603 /nfs/dbraw/zinc/54/76/03/558547603.db2.gz IAMXJYAWPDQXNO-MDWZMJQESA-N 0 0 419.278 5.024 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1Br ZINC000013598538 558547638 /nfs/dbraw/zinc/54/76/38/558547638.db2.gz BMRMRMXYXXLYTO-UHFFFAOYSA-N 0 0 423.285 6.321 50 0 HKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013598717 558547564 /nfs/dbraw/zinc/54/75/64/558547564.db2.gz MDNLCJQJOKTISX-UNMCSNQZSA-N 0 0 405.295 5.691 50 0 HKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013598721 558547596 /nfs/dbraw/zinc/54/75/96/558547596.db2.gz MDNLCJQJOKTISX-IRLDBZIGSA-N 0 0 405.295 5.691 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Br)o1 ZINC000013601565 558547839 /nfs/dbraw/zinc/54/78/39/558547839.db2.gz PIQGNGBNTOTHPT-UHFFFAOYSA-N 0 0 417.646 5.756 50 0 HKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl ZINC000013602465 558547901 /nfs/dbraw/zinc/54/79/01/558547901.db2.gz ZOHBHAWXAUMZJD-UHFFFAOYSA-N 0 0 417.683 5.633 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000013607701 569256605 /nfs/dbraw/zinc/25/66/05/569256605.db2.gz BYEUTFPCNZWOSI-UHFFFAOYSA-N 0 0 417.513 5.033 50 0 HKAARN COc1ccc2c(c1)/C(=C1\N=C(c3ccc(F)cc3)OC1=O)C=C(c1cccs1)O2 ZINC000013609285 558548116 /nfs/dbraw/zinc/54/81/16/558548116.db2.gz COZCCMLUUACUGQ-FXBPSFAMSA-N 0 0 419.433 5.044 50 0 HKAARN CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(Br)o1 ZINC000013609864 558548289 /nfs/dbraw/zinc/54/82/89/558548289.db2.gz CFOWKHXOBUTMFZ-UHFFFAOYSA-N 0 0 422.282 5.467 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1nc(SCc2ccccc2)ncc1Cl ZINC000013609882 558548326 /nfs/dbraw/zinc/54/83/26/558548326.db2.gz ULSBUGPHHANWJO-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1ccc(F)cc1F ZINC000013610204 569256715 /nfs/dbraw/zinc/25/67/15/569256715.db2.gz UOMWMIYYSCXNBS-UHFFFAOYSA-N 0 0 409.440 5.056 50 0 HKAARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1ccccc1Cl ZINC000013610273 132458156 /nfs/dbraw/zinc/45/81/56/132458156.db2.gz SLJGQPZCKBEQJS-UHFFFAOYSA-N 0 0 407.905 5.431 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1C ZINC000013610276 569256683 /nfs/dbraw/zinc/25/66/83/569256683.db2.gz QFZXKNHMRPZYIC-UHFFFAOYSA-N 0 0 401.514 5.395 50 0 HKAARN CCOc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000013610279 569256692 /nfs/dbraw/zinc/25/66/92/569256692.db2.gz BHEPHSDXXJHVBD-UHFFFAOYSA-N 0 0 417.513 5.177 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000013610288 569256703 /nfs/dbraw/zinc/25/67/03/569256703.db2.gz QUEATBSVQQYUGS-UHFFFAOYSA-N 0 0 401.514 5.395 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000013610306 569256698 /nfs/dbraw/zinc/25/66/98/569256698.db2.gz RHGQCOFPBCVSOL-UHFFFAOYSA-N 0 0 417.513 5.095 50 0 HKAARN Cc1ccc(C)c(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000013610331 569256717 /nfs/dbraw/zinc/25/67/17/569256717.db2.gz KCVZDFNDJLFUFM-UHFFFAOYSA-N 0 0 401.514 5.395 50 0 HKAARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000013614975 558847515 /nfs/dbraw/zinc/84/75/15/558847515.db2.gz XEGWPHFMPASJSA-ALFLXDJESA-N 0 0 406.957 6.193 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013616348 558549635 /nfs/dbraw/zinc/54/96/35/558549635.db2.gz KSOAGQYWXOQQHX-REWPJTCUSA-N 0 0 423.299 5.746 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616349 558549662 /nfs/dbraw/zinc/54/96/62/558549662.db2.gz KSOAGQYWXOQQHX-OFNKIYASSA-N 0 0 423.299 5.746 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616353 558549593 /nfs/dbraw/zinc/54/95/93/558549593.db2.gz HYFDAIRVJVJFRB-QPPBQGQZSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616354 558549625 /nfs/dbraw/zinc/54/96/25/558549625.db2.gz HYFDAIRVJVJFRB-ZJSXRUAMSA-N 0 0 402.881 5.401 50 0 HKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000013616369 558549646 /nfs/dbraw/zinc/54/96/46/558549646.db2.gz CSVIORRTOUEWIP-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000013616371 558549655 /nfs/dbraw/zinc/54/96/55/558549655.db2.gz CSVIORRTOUEWIP-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616372 558549643 /nfs/dbraw/zinc/54/96/43/558549643.db2.gz NWBMDXWRCSBCDF-VWNXMTODSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616374 558549623 /nfs/dbraw/zinc/54/96/23/558549623.db2.gz NWBMDXWRCSBCDF-ISKFKSNPSA-N 0 0 404.897 5.981 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616415 558549630 /nfs/dbraw/zinc/54/96/30/558549630.db2.gz WSAWLEBKZKKKRI-REWPJTCUSA-N 0 0 423.299 5.746 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616417 558549620 /nfs/dbraw/zinc/54/96/20/558549620.db2.gz WSAWLEBKZKKKRI-NZQKXSOJSA-N 0 0 423.299 5.746 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616418 558549664 /nfs/dbraw/zinc/54/96/64/558549664.db2.gz WSAWLEBKZKKKRI-OFNKIYASSA-N 0 0 423.299 5.746 50 0 HKAARN O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616420 558549629 /nfs/dbraw/zinc/54/96/29/558549629.db2.gz WSAWLEBKZKKKRI-NFBKMPQASA-N 0 0 423.299 5.746 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616423 569004729 /nfs/dbraw/zinc/00/47/29/569004729.db2.gz OIEBJHBQHSYQEL-QPPBQGQZSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616425 569004782 /nfs/dbraw/zinc/00/47/82/569004782.db2.gz OIEBJHBQHSYQEL-ZJSXRUAMSA-N 0 0 402.881 5.401 50 0 HKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000013616450 569356991 /nfs/dbraw/zinc/35/69/91/569356991.db2.gz ZOEQWOBNKIDAQR-UNMCSNQZSA-N 0 0 401.337 6.443 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616453 558549627 /nfs/dbraw/zinc/54/96/27/558549627.db2.gz UYAHCELMIWOHES-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616455 558549614 /nfs/dbraw/zinc/54/96/14/558549614.db2.gz UYAHCELMIWOHES-FYYLOGMGSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000013616487 558549621 /nfs/dbraw/zinc/54/96/21/558549621.db2.gz WITLLMGNQHOCTO-URXFXBBRSA-N 0 0 420.871 5.540 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000013616529 569291960 /nfs/dbraw/zinc/29/19/60/569291960.db2.gz NBABRPBLANKHGQ-ISKFKSNPSA-N 0 0 404.897 5.899 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000013616533 569291880 /nfs/dbraw/zinc/29/18/80/569291880.db2.gz BQKCJKCJYJBMRE-QUCCMNQESA-N 0 0 401.304 5.127 50 0 HKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000013616535 569291901 /nfs/dbraw/zinc/29/19/01/569291901.db2.gz BQKCJKCJYJBMRE-UYAOXDASSA-N 0 0 401.304 5.127 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 ZINC000013616542 558549656 /nfs/dbraw/zinc/54/96/56/558549656.db2.gz OITZGPRIRGBLFZ-XLIONFOSSA-N 0 0 411.324 5.753 50 0 HKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000013616547 558549641 /nfs/dbraw/zinc/54/96/41/558549641.db2.gz JYEFPAIQNHCQBF-YLJYHZDGSA-N 0 0 401.318 6.297 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616576 558549600 /nfs/dbraw/zinc/54/96/00/558549600.db2.gz CJWZLBHPGIHKDP-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616578 558549644 /nfs/dbraw/zinc/54/96/44/558549644.db2.gz CJWZLBHPGIHKDP-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616613 558549879 /nfs/dbraw/zinc/54/98/79/558549879.db2.gz QLQLPMGTAIPFBW-GCJKJVERSA-N 0 0 408.910 5.462 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616615 558549876 /nfs/dbraw/zinc/54/98/76/558549876.db2.gz QLQLPMGTAIPFBW-XMSQKQJNSA-N 0 0 408.910 5.462 50 0 HKAARN O=C(c1ccc(F)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000013616616 558549858 /nfs/dbraw/zinc/54/98/58/558549858.db2.gz BVTGOEGPJNBMPU-UWJYYQICSA-N 0 0 412.873 5.293 50 0 HKAARN O=C(c1ccc(F)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616618 558549897 /nfs/dbraw/zinc/54/98/97/558549897.db2.gz BVTGOEGPJNBMPU-UTKZUKDTSA-N 0 0 412.873 5.293 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616637 558549870 /nfs/dbraw/zinc/54/98/70/558549870.db2.gz LPKSRJYHUJUBOA-KNQAVFIVSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616639 558549868 /nfs/dbraw/zinc/54/98/68/558549868.db2.gz LPKSRJYHUJUBOA-DENIHFKCSA-N 0 0 410.926 6.043 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccccc1)O2 ZINC000013616687 558549895 /nfs/dbraw/zinc/54/98/95/558549895.db2.gz BIGXTADTKUVWKZ-XLIONFOSSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccccc1)O2 ZINC000013616689 558549886 /nfs/dbraw/zinc/54/98/86/558549886.db2.gz BIGXTADTKUVWKZ-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1C ZINC000013617250 558549883 /nfs/dbraw/zinc/54/98/83/558549883.db2.gz DRQKQUUYDZPIPP-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccc(Br)cc1 ZINC000013617418 558549871 /nfs/dbraw/zinc/54/98/71/558549871.db2.gz GKQJFGSLGHIWHO-NTEUORMPSA-N 0 0 421.269 5.458 50 0 HKAARN COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000013617648 558549822 /nfs/dbraw/zinc/54/98/22/558549822.db2.gz HJEIGWSSROXOMO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc1 ZINC000013617661 558549862 /nfs/dbraw/zinc/54/98/62/558549862.db2.gz BTZRNJOYHBNYCM-UHFFFAOYSA-N 0 0 410.517 5.673 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000013617785 558549893 /nfs/dbraw/zinc/54/98/93/558549893.db2.gz DBIUCVDUKGCMFH-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000013617922 558549889 /nfs/dbraw/zinc/54/98/89/558549889.db2.gz NXBFSSGECZATPP-DENIHFKCSA-N 0 0 417.336 5.822 50 0 HKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000013617924 558549888 /nfs/dbraw/zinc/54/98/88/558549888.db2.gz NXBFSSGECZATPP-KNQAVFIVSA-N 0 0 417.336 5.822 50 0 HKAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000013618284 558549866 /nfs/dbraw/zinc/54/98/66/558549866.db2.gz PAENZAKPYFCQJP-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)cc1 ZINC000013618614 558550152 /nfs/dbraw/zinc/55/01/52/558550152.db2.gz YDOYHXZEFOUEQY-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013619033 558550173 /nfs/dbraw/zinc/55/01/73/558550173.db2.gz UWDHZKWPSDALNS-YVLHZVERSA-N 0 0 418.663 6.251 50 0 HKAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000013619125 558550154 /nfs/dbraw/zinc/55/01/54/558550154.db2.gz CEOPMQHNYRROHC-UHFFFAOYSA-N 0 0 412.489 5.082 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccccc2)ncc1Cl ZINC000013623669 558550159 /nfs/dbraw/zinc/55/01/59/558550159.db2.gz MNGAYLIXNYYPMG-UHFFFAOYSA-N 0 0 423.847 5.693 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000013623712 558550333 /nfs/dbraw/zinc/55/03/33/558550333.db2.gz YZCKLPQCEKFIGY-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000013623955 558550349 /nfs/dbraw/zinc/55/03/49/558550349.db2.gz URHQRYYNIXPAMK-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000013624108 558550625 /nfs/dbraw/zinc/55/06/25/558550625.db2.gz MQTRKHMPZBRJBC-UHFFFAOYSA-N 0 0 408.285 5.467 50 0 HKAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000013624530 558550749 /nfs/dbraw/zinc/55/07/49/558550749.db2.gz JMIKWTDVUJKVOJ-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN COc1ccc(-c2nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c3c(C)n2)cc1 ZINC000013624616 558550785 /nfs/dbraw/zinc/55/07/85/558550785.db2.gz IGUPQYIESHCLPA-UHFFFAOYSA-N 0 0 409.898 5.142 50 0 HKAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 ZINC000013624669 558550712 /nfs/dbraw/zinc/55/07/12/558550712.db2.gz TXSWWFBUCMDINE-UHFFFAOYSA-N 0 0 415.309 5.115 50 0 HKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000013624924 558550779 /nfs/dbraw/zinc/55/07/79/558550779.db2.gz WJKHFEFHFDXLCE-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000013625002 558550782 /nfs/dbraw/zinc/55/07/82/558550782.db2.gz DXWDXSWGBISOAP-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN Cc1ccc2c(-c3oc4ccccc4c3NC(=O)c3cccs3)cc(=O)oc2c1C ZINC000013626305 558848607 /nfs/dbraw/zinc/84/86/07/558848607.db2.gz BKRJCODTTMMSPJ-UHFFFAOYSA-N 0 0 415.470 6.137 50 0 HKAARN O=C(Nc1ccccc1Cl)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000013627538 558551258 /nfs/dbraw/zinc/55/12/58/558551258.db2.gz CNGDWIMCFYZIML-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN Cc1csc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)occ4C(C)(C)C)n1 ZINC000013628429 558551782 /nfs/dbraw/zinc/55/17/82/558551782.db2.gz QCCOPTGSYQGCGV-UHFFFAOYSA-N 0 0 410.495 5.091 50 0 HKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000013628534 558551739 /nfs/dbraw/zinc/55/17/39/558551739.db2.gz CPKRJRHPTCTGEQ-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628747 558551703 /nfs/dbraw/zinc/55/17/03/558551703.db2.gz AVNLWGCNPJQAKB-UHFFFAOYSA-N 0 0 411.571 5.096 50 0 HKAARN CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628752 558551766 /nfs/dbraw/zinc/55/17/66/558551766.db2.gz KUJNZURNGDODNW-UHFFFAOYSA-N 0 0 411.571 5.240 50 0 HKAARN Cc1c2oc(=O)c3c(c2cc2c1OC1(CCC(C(C)(C)C)CC1)CC2=O)CCCC3 ZINC000013629250 558551976 /nfs/dbraw/zinc/55/19/76/558551976.db2.gz YPDUEEAAAZPFDA-UHFFFAOYSA-N 0 0 408.538 5.921 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000013629271 558552002 /nfs/dbraw/zinc/55/20/02/558552002.db2.gz URCXMGPRMVJDCO-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1nc(SCc2ccccc2)ncc1Cl ZINC000013629337 558551990 /nfs/dbraw/zinc/55/19/90/558551990.db2.gz BROIGUSKEHAMQI-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(SCc2ccccc2)ncc1Cl ZINC000013629528 558551992 /nfs/dbraw/zinc/55/19/92/558551992.db2.gz QMHIBKXYJHQIPU-UHFFFAOYSA-N 0 0 424.740 5.981 50 0 HKAARN c1ccc2sc(-c3ccccc3-c3nn4c(nnc4-c4ccncc4)s3)nc2c1 ZINC000013629572 558552010 /nfs/dbraw/zinc/55/20/10/558552010.db2.gz VCSHNUXRGMXSNK-UHFFFAOYSA-N 0 0 412.503 5.192 50 0 HKAARN CN(C)C(=O)Oc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000013629603 558849383 /nfs/dbraw/zinc/84/93/83/558849383.db2.gz UVWSBIVEGMCBSV-UHFFFAOYSA-N 0 0 415.445 5.099 50 0 biogenic HKAARN O=C(Nc1ccccc1Cl)c1nc(SCc2ccccc2F)ncc1Cl ZINC000013630019 558552264 /nfs/dbraw/zinc/55/22/64/558552264.db2.gz NNFAVSOWXMEANN-UHFFFAOYSA-N 0 0 408.285 5.467 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000013631038 558552234 /nfs/dbraw/zinc/55/22/34/558552234.db2.gz MELGTQNKHICNJK-UHFFFAOYSA-N 0 0 416.521 5.399 50 0 HKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631066 558552288 /nfs/dbraw/zinc/55/22/88/558552288.db2.gz VNPLUXHIRRHPKC-UHFFFAOYSA-N 0 0 422.912 5.237 50 0 HKAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631115 558552328 /nfs/dbraw/zinc/55/23/28/558552328.db2.gz SZQWHEJOYCRDBN-QHCPKHFHSA-N 0 0 416.521 5.362 50 0 HKAARN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631116 558552237 /nfs/dbraw/zinc/55/22/37/558552237.db2.gz SZQWHEJOYCRDBN-HSZRJFAPSA-N 0 0 416.521 5.362 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631125 558552301 /nfs/dbraw/zinc/55/23/01/558552301.db2.gz NJXRSJXINLNHOI-KRWDZBQOSA-N 0 0 422.912 5.317 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631126 558552217 /nfs/dbraw/zinc/55/22/17/558552217.db2.gz NJXRSJXINLNHOI-QGZVFWFLSA-N 0 0 422.912 5.317 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631144 558552308 /nfs/dbraw/zinc/55/23/08/558552308.db2.gz KRSZWPKSTIILIW-KRWDZBQOSA-N 0 0 422.912 5.317 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631145 558552330 /nfs/dbraw/zinc/55/23/30/558552330.db2.gz KRSZWPKSTIILIW-QGZVFWFLSA-N 0 0 422.912 5.317 50 0 HKAARN CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631159 558552267 /nfs/dbraw/zinc/55/22/67/558552267.db2.gz JTGXTPZIKSTRKD-UHFFFAOYSA-N 0 0 402.494 5.299 50 0 HKAARN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631179 558552270 /nfs/dbraw/zinc/55/22/70/558552270.db2.gz YAAUZNKWXHUTQC-FQEVSTJZSA-N 0 0 416.521 5.281 50 0 HKAARN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631180 558552228 /nfs/dbraw/zinc/55/22/28/558552228.db2.gz YAAUZNKWXHUTQC-HXUWFJFHSA-N 0 0 416.521 5.281 50 0 HKAARN COc1ccc2oc(=O)c(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)cc2c1 ZINC000013633632 558553013 /nfs/dbraw/zinc/55/30/13/558553013.db2.gz NXYSDAZYNGRAQK-UHFFFAOYSA-N 0 0 420.277 5.371 50 0 HKAARN O=C(O/C(=C/c1nccn1Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000013633950 558553024 /nfs/dbraw/zinc/55/30/24/558553024.db2.gz ITBGEDNXLQGPLW-HAVVHWLPSA-N 0 0 414.892 5.940 50 0 HKAARN COCc1nn2c(ncc3c2C[C@@H](c2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638349 558555040 /nfs/dbraw/zinc/55/50/40/558555040.db2.gz URRSWOIAIHKKBG-QGZVFWFLSA-N 0 0 417.896 5.109 50 0 HKAARN COCc1nn2c(ncc3c2C[C@H](c2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638352 558555099 /nfs/dbraw/zinc/55/50/99/558555099.db2.gz URRSWOIAIHKKBG-KRWDZBQOSA-N 0 0 417.896 5.109 50 0 HKAARN COCc1nn2c(ncc3c2C[C@@H](c2cccs2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638365 558555052 /nfs/dbraw/zinc/55/50/52/558555052.db2.gz KEDHLWPANRBHHL-CQSZACIVSA-N 0 0 423.925 5.170 50 0 HKAARN COCc1nn2c(ncc3c2C[C@H](c2cccs2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638370 558555102 /nfs/dbraw/zinc/55/51/02/558555102.db2.gz KEDHLWPANRBHHL-AWEZNQCLSA-N 0 0 423.925 5.170 50 0 HKAARN Clc1ccccc1CSc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000013640147 558555311 /nfs/dbraw/zinc/55/53/11/558555311.db2.gz WALYAQRNPQKWTA-UHFFFAOYSA-N 0 0 403.898 5.285 50 0 HKAARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1nc2ccccc2n1Cc1ccccc1 ZINC000013640467 558555307 /nfs/dbraw/zinc/55/53/07/558555307.db2.gz OPONBDCQLBHXOD-QINSGFPZSA-N 0 0 419.431 5.338 50 0 HKAARN CCCn1c(NC(=O)c2cc(Br)ccc2OC(F)F)nc2ccccc21 ZINC000013640469 558555254 /nfs/dbraw/zinc/55/52/54/558555254.db2.gz HKEUGASNOLOUMZ-UHFFFAOYSA-N 0 0 424.245 5.063 50 0 HKAARN CCCn1c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)nc2ccccc21 ZINC000013640700 558555292 /nfs/dbraw/zinc/55/52/92/558555292.db2.gz FOECIQSXUVNQFQ-UHFFFAOYSA-N 0 0 417.494 5.272 50 0 HKAARN Clc1c(-c2cccc(Br)c2)noc1-c1cccc(Br)c1 ZINC000013640856 558555517 /nfs/dbraw/zinc/55/55/17/558555517.db2.gz XLJVXNANGMOSSU-UHFFFAOYSA-N 0 0 413.496 6.187 50 0 HKAARN Clc1c(-c2ccc(Br)cc2)noc1-c1ccc(Br)cc1 ZINC000013640883 558555413 /nfs/dbraw/zinc/55/54/13/558555413.db2.gz QFALJZXSKQIAJG-UHFFFAOYSA-N 0 0 413.496 6.187 50 0 HKAARN Cc1onc(C(=O)Nc2ccc(F)cc2F)c1COc1cccc(C(F)(F)F)c1 ZINC000013640910 558555455 /nfs/dbraw/zinc/55/54/55/558555455.db2.gz SDBUUXMZFFEZGV-UHFFFAOYSA-N 0 0 412.314 5.111 50 0 HKAARN Cc1onc(C(=O)Nc2cccc(Cl)c2C)c1COc1cccc(C(F)(F)F)c1 ZINC000013640916 558555505 /nfs/dbraw/zinc/55/55/05/558555505.db2.gz KAEXXAZTVVQGRA-UHFFFAOYSA-N 0 0 424.806 5.795 50 0 HKAARN Cc1onc(C(=O)Nc2cc(F)ccc2F)c1COc1cccc(C(F)(F)F)c1 ZINC000013640918 558555509 /nfs/dbraw/zinc/55/55/09/558555509.db2.gz FCCFPBLUNKPIJD-UHFFFAOYSA-N 0 0 412.314 5.111 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1 ZINC000013640936 558555409 /nfs/dbraw/zinc/55/54/09/558555409.db2.gz VQIJOIYGBZMMGN-UHFFFAOYSA-N 0 0 420.387 5.150 50 0 HKAARN Cc1onc(C(=O)Nc2ccc(F)cc2C)c1COc1cccc(C(F)(F)F)c1 ZINC000013640938 558555489 /nfs/dbraw/zinc/55/54/89/558555489.db2.gz RSSKHVWGZNRKCM-UHFFFAOYSA-N 0 0 408.351 5.281 50 0 HKAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)o1 ZINC000013641044 558555448 /nfs/dbraw/zinc/55/54/48/558555448.db2.gz HTIJRMRHFRQAFF-UHFFFAOYSA-N 0 0 404.491 5.879 50 0 HKAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)nc1 ZINC000013641172 558555544 /nfs/dbraw/zinc/55/55/44/558555544.db2.gz OCYYMAYPLPCENZ-UHFFFAOYSA-N 0 0 412.474 5.574 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)no1 ZINC000013641184 558555465 /nfs/dbraw/zinc/55/54/65/558555465.db2.gz MZRBKPYFCKFWEI-UHFFFAOYSA-N 0 0 402.435 5.167 50 0 HKAARN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641227 558555461 /nfs/dbraw/zinc/55/54/61/558555461.db2.gz RNGYKYJBSBIYCQ-UHFFFAOYSA-N 0 0 415.449 5.303 50 0 HKAARN C[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)c1ccncc1 ZINC000013641248 558555493 /nfs/dbraw/zinc/55/54/93/558555493.db2.gz JRWQHJICSNRRTH-OAHLLOKOSA-N 0 0 410.433 5.036 50 0 HKAARN C[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)c1ccncc1 ZINC000013641251 558555440 /nfs/dbraw/zinc/55/54/40/558555440.db2.gz JRWQHJICSNRRTH-HNNXBMFYSA-N 0 0 410.433 5.036 50 0 HKAARN CC1CCN(C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)CC1 ZINC000013641254 558555397 /nfs/dbraw/zinc/55/53/97/558555397.db2.gz CNNFUDGLTFHJMA-UHFFFAOYSA-N 0 0 403.507 5.490 50 0 HKAARN O=C(Nc1nccs1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641277 558555445 /nfs/dbraw/zinc/55/54/45/558555445.db2.gz QLWNXOIWXVKMFI-UHFFFAOYSA-N 0 0 404.476 5.327 50 0 HKAARN O=C(NCc1cccs1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641286 558555425 /nfs/dbraw/zinc/55/54/25/558555425.db2.gz XGJCDZDLBAFRKU-UHFFFAOYSA-N 0 0 401.447 5.141 50 0 HKAARN O=C(NC1CCCCCC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641320 558555402 /nfs/dbraw/zinc/55/54/02/558555402.db2.gz QLTIQHNAHQTEPM-UHFFFAOYSA-N 0 0 401.466 5.602 50 0 HKAARN O=C(NCc1ccco1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641357 558555692 /nfs/dbraw/zinc/55/56/92/558555692.db2.gz XNQYBPZNMXUBSB-UHFFFAOYSA-N 0 0 401.447 5.141 50 0 HKAARN O=C(NC1CCCCCC1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641432 558555710 /nfs/dbraw/zinc/55/57/10/558555710.db2.gz HFVRWIOMZZIFOF-UHFFFAOYSA-N 0 0 417.534 6.071 50 0 HKAARN O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21)N1CCc2ccccc21 ZINC000013641491 558555733 /nfs/dbraw/zinc/55/57/33/558555733.db2.gz QXYMLDBVIDLQAI-UHFFFAOYSA-N 0 0 423.497 5.821 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641497 558555758 /nfs/dbraw/zinc/55/57/58/558555758.db2.gz VGSCCCUVWVGZTA-UHFFFAOYSA-N 0 0 421.456 5.891 50 0 HKAARN Cc1cc(C)c(NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)c(C)c1 ZINC000013641517 558555717 /nfs/dbraw/zinc/55/57/17/558555717.db2.gz BQLABRSRARRPCM-UHFFFAOYSA-N 0 0 415.449 5.104 50 0 HKAARN O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641573 558555708 /nfs/dbraw/zinc/55/57/08/558555708.db2.gz HHRLCEWEAMPKKC-UHFFFAOYSA-N 0 0 416.824 5.451 50 0 HKAARN O=C(NC1CCCCC1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641636 558555688 /nfs/dbraw/zinc/55/56/88/558555688.db2.gz XQKXVTBCXGZMNY-UHFFFAOYSA-N 0 0 403.507 5.681 50 0 HKAARN Cc1cc(C(=O)Nc2nc3c(cccc3C)s2)c2c(n1)onc2-c1ccccc1 ZINC000013641698 558555756 /nfs/dbraw/zinc/55/57/56/558555756.db2.gz IGMXNVBVQCRIAW-UHFFFAOYSA-N 0 0 400.463 5.369 50 0 HKAARN Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2c(n1)onc2-c1ccccc1 ZINC000013641704 558555696 /nfs/dbraw/zinc/55/56/96/558555696.db2.gz PHMYSSJPSSBAHT-UHFFFAOYSA-N 0 0 411.505 5.293 50 0 HKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3nc4ccc(C)cc4s3)c12 ZINC000013641969 558555998 /nfs/dbraw/zinc/55/59/98/558555998.db2.gz XQJDNLFUIPXXRA-UHFFFAOYSA-N 0 0 406.492 5.430 50 0 HKAARN Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N(C)[C@@H](C)CCc3ccco3)c12 ZINC000013642017 558555970 /nfs/dbraw/zinc/55/59/70/558555970.db2.gz VGFHEFBCWLSEBO-AWEZNQCLSA-N 0 0 423.900 5.538 50 0 HKAARN Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N(C)[C@H](C)CCc3ccco3)c12 ZINC000013642020 558556055 /nfs/dbraw/zinc/55/60/55/558556055.db2.gz VGFHEFBCWLSEBO-CQSZACIVSA-N 0 0 423.900 5.538 50 0 HKAARN CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2onc(C)c21)c1ccc(C(C)C)cc1 ZINC000013642081 558555913 /nfs/dbraw/zinc/55/59/13/558555913.db2.gz CUXQJUSEXPVESG-LJQANCHMSA-N 0 0 419.550 6.264 50 0 HKAARN CC[C@H](NC(=O)c1cc(-c2cccs2)nc2onc(C)c21)c1ccc(C(C)C)cc1 ZINC000013642084 558556020 /nfs/dbraw/zinc/55/60/20/558556020.db2.gz CUXQJUSEXPVESG-IBGZPJMESA-N 0 0 419.550 6.264 50 0 HKAARN Cc1cc(C(F)(F)F)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 ZINC000013643475 558555886 /nfs/dbraw/zinc/55/58/86/558555886.db2.gz UKVVYYXFIZAKGS-UHFFFAOYSA-N 0 0 420.338 5.165 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(-c2nc(C)cc(C(F)(F)F)n2)c1-c1ccc(C)cc1 ZINC000013643508 558555974 /nfs/dbraw/zinc/55/59/74/558555974.db2.gz FCFXMCVRNFRTHM-UHFFFAOYSA-N 0 0 422.454 6.249 50 0 HKAARN CCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 ZINC000013643857 569256809 /nfs/dbraw/zinc/25/68/09/569256809.db2.gz JRKWJLJZAJNGAP-QPLCGJKRSA-N 0 0 413.546 6.111 50 0 HKAARN O=C(Nc1ccccc1Sc1ccccc1)c1cnn2c1nccc2-c1ccco1 ZINC000013644479 558556209 /nfs/dbraw/zinc/55/62/09/558556209.db2.gz IGRQWDSKYNWHLF-UHFFFAOYSA-N 0 0 412.474 5.393 50 0 HKAARN CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000013644751 569256827 /nfs/dbraw/zinc/25/68/27/569256827.db2.gz TYOFQDFUJUNEAB-IZHYLOQSSA-N 0 0 417.534 6.013 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)c1 ZINC000013644763 558556413 /nfs/dbraw/zinc/55/64/13/558556413.db2.gz KIPFVPNSTMUCSZ-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccccc4)no3)nn21 ZINC000013644794 558556337 /nfs/dbraw/zinc/55/63/37/558556337.db2.gz SBEGWAVHARJIGI-UHFFFAOYSA-N 0 0 407.355 5.132 50 0 HKAARN Cc1ccc(-c2noc(-c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 ZINC000013644800 558556454 /nfs/dbraw/zinc/55/64/54/558556454.db2.gz VTIQIERJFNIMOU-UHFFFAOYSA-N 0 0 411.343 5.034 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3nc(-c4ccccc4)no3)nn21 ZINC000013644845 558556373 /nfs/dbraw/zinc/55/63/73/558556373.db2.gz CCYVTSDJKBGHRH-UHFFFAOYSA-N 0 0 413.384 5.194 50 0 HKAARN Cc1ccc(-c2noc(-c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)n2)cc1 ZINC000013644859 558556434 /nfs/dbraw/zinc/55/64/34/558556434.db2.gz IDJZSZXHSDRPQB-UHFFFAOYSA-N 0 0 421.382 5.441 50 0 HKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013645105 558556366 /nfs/dbraw/zinc/55/63/66/558556366.db2.gz AVZYOQDMLQOKRW-LEAFIULHSA-N 0 0 424.544 6.182 50 0 HKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013645109 558556429 /nfs/dbraw/zinc/55/64/29/558556429.db2.gz AVZYOQDMLQOKRW-NAKRPHOHSA-N 0 0 424.544 6.182 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(-c3ccccc3)c(C)nn21 ZINC000013645203 558831505 /nfs/dbraw/zinc/83/15/05/558831505.db2.gz NXIHWUGFTWYPCS-UHFFFAOYSA-N 0 0 412.276 5.465 50 0 HKAARN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)c1 ZINC000013645724 558556642 /nfs/dbraw/zinc/55/66/42/558556642.db2.gz IPCOINHQJZGNJA-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000013645890 558556631 /nfs/dbraw/zinc/55/66/31/558556631.db2.gz PLPHSIYWARLEDM-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000013646208 558556820 /nfs/dbraw/zinc/55/68/20/558556820.db2.gz FKVRWIJJSHWDJH-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 ZINC000013646239 558556774 /nfs/dbraw/zinc/55/67/74/558556774.db2.gz JIFUJLRZMWRWLP-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000013646320 558556805 /nfs/dbraw/zinc/55/68/05/558556805.db2.gz YOHNOJZADAHMGO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN C[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013646775 558557029 /nfs/dbraw/zinc/55/70/29/558557029.db2.gz AIMNAEMXBSMSHR-OAHLLOKOSA-N 0 0 407.876 5.368 50 0 HKAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013646777 558557033 /nfs/dbraw/zinc/55/70/33/558557033.db2.gz AIMNAEMXBSMSHR-HNNXBMFYSA-N 0 0 407.876 5.368 50 0 HKAARN COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 ZINC000013647085 558557021 /nfs/dbraw/zinc/55/70/21/558557021.db2.gz ULKCYINFRDQZHC-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000013647417 558557262 /nfs/dbraw/zinc/55/72/62/558557262.db2.gz RWHZWNRVHFWXKQ-UHFFFAOYSA-N 0 0 412.489 5.082 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2)cc1 ZINC000013647500 558557220 /nfs/dbraw/zinc/55/72/20/558557220.db2.gz NQFLDJUNJMBHKA-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)c1 ZINC000013647761 558557421 /nfs/dbraw/zinc/55/74/21/558557421.db2.gz DDCRPJIJDAMTRO-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000013648017 558850722 /nfs/dbraw/zinc/85/07/22/558850722.db2.gz YKPCZOYBMJHOHH-JOCHJYFZSA-N 0 0 412.577 6.856 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000013648020 558850662 /nfs/dbraw/zinc/85/06/62/558850662.db2.gz YKPCZOYBMJHOHH-QFIPXVFZSA-N 0 0 412.577 6.856 50 0 HKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000013648253 558557449 /nfs/dbraw/zinc/55/74/49/558557449.db2.gz YSAAGIFEVABBQA-JOCHJYFZSA-N 0 0 412.577 6.774 50 0 HKAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000013648256 558557461 /nfs/dbraw/zinc/55/74/61/558557461.db2.gz YSAAGIFEVABBQA-QFIPXVFZSA-N 0 0 412.577 6.774 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1sc2ccccc2c1Cl ZINC000013653720 569256774 /nfs/dbraw/zinc/25/67/74/569256774.db2.gz PJENRMQIYVIVPQ-UHFFFAOYSA-N 0 0 410.307 5.496 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc4oc(=O)ccc4c3)c3ccccc3n2)cc1 ZINC000013655729 558558837 /nfs/dbraw/zinc/55/88/37/558558837.db2.gz PIQMFUXLYAKMHQ-UHFFFAOYSA-N 0 0 422.440 5.269 50 0 HKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccc(F)cc2)n1 ZINC000013656007 558559116 /nfs/dbraw/zinc/55/91/16/558559116.db2.gz DFMYLTAWPKKUJY-LJQANCHMSA-N 0 0 413.456 5.209 50 0 HKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccc(F)cc2)n1 ZINC000013656010 558559071 /nfs/dbraw/zinc/55/90/71/558559071.db2.gz DFMYLTAWPKKUJY-IBGZPJMESA-N 0 0 413.456 5.209 50 0 HKAARN COc1ccccc1[C@@H](CCN(Cc1ccco1)C(=O)c1ccco1)c1ccccc1 ZINC000013656377 558851337 /nfs/dbraw/zinc/85/13/37/558851337.db2.gz ZGQRNZIICCJXGT-QFIPXVFZSA-N 0 0 415.489 5.746 50 0 HKAARN COc1ccccc1[C@H](CCN(Cc1ccco1)C(=O)c1ccco1)c1ccccc1 ZINC000013656380 558851326 /nfs/dbraw/zinc/85/13/26/558851326.db2.gz ZGQRNZIICCJXGT-JOCHJYFZSA-N 0 0 415.489 5.746 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000013658355 558851290 /nfs/dbraw/zinc/85/12/90/558851290.db2.gz LDVHAMXWJILUCY-JOCHJYFZSA-N 0 0 424.632 7.732 50 0 HKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000013658358 558851427 /nfs/dbraw/zinc/85/14/27/558851427.db2.gz LDVHAMXWJILUCY-QFIPXVFZSA-N 0 0 424.632 7.732 50 0 HKAARN O=C(N(c1ccccc1)c1ccccc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000013658793 558559277 /nfs/dbraw/zinc/55/92/77/558559277.db2.gz BGWKEUSTCBUOQZ-UHFFFAOYSA-N 0 0 403.485 6.434 50 0 HKAARN COc1ccccc1C1CCN(C(=S)Nc2ccc(Br)cc2)CC1 ZINC000013658881 558559269 /nfs/dbraw/zinc/55/92/69/558559269.db2.gz RJYFVJPEXKPGNZ-UHFFFAOYSA-N 0 0 405.361 5.034 50 0 HKAARN O=C(N(c1ccccc1)c1ccccc1)n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000013659309 558559604 /nfs/dbraw/zinc/55/96/04/558559604.db2.gz OFKARKBHLNITAH-UHFFFAOYSA-N 0 0 415.496 7.024 50 0 HKAARN O[C@@H](Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2nc1[C@@H]1CC=CCC1 ZINC000013659434 558559546 /nfs/dbraw/zinc/55/95/46/558559546.db2.gz IJQJATJKNDZGBS-RTWAWAEBSA-N 0 0 421.544 6.029 50 0 HKAARN CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000013659745 558559526 /nfs/dbraw/zinc/55/95/26/558559526.db2.gz KAOIMTDNPLHELO-VPUSJEBWSA-N 0 0 422.553 6.804 50 0 HKAARN CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000013659748 558559569 /nfs/dbraw/zinc/55/95/69/558559569.db2.gz KAOIMTDNPLHELO-XNMGPUDCSA-N 0 0 422.553 6.804 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3C)c(=O)[nH]c2c1 ZINC000013660235 558559555 /nfs/dbraw/zinc/55/95/55/558559555.db2.gz VBSJUKZJQZFMGY-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000013660997 558559780 /nfs/dbraw/zinc/55/97/80/558559780.db2.gz FKQCWRYCVNCJRY-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3)c(=O)[nH]c2c1 ZINC000013661393 558559720 /nfs/dbraw/zinc/55/97/20/558559720.db2.gz LAOIDZDKOQICNZ-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3ccccc3C)cc2c1 ZINC000013661859 558559892 /nfs/dbraw/zinc/55/98/92/558559892.db2.gz GEQYCEUMLCITBE-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 ZINC000013661877 558559889 /nfs/dbraw/zinc/55/98/89/558559889.db2.gz PWXDWAUXRIUGOU-UHFFFAOYSA-N 0 0 416.908 5.645 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)cc1 ZINC000013661927 558559950 /nfs/dbraw/zinc/55/99/50/558559950.db2.gz UBQWJYUMTRQXJS-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cc(Cl)ccc1Cl ZINC000013667195 569256884 /nfs/dbraw/zinc/25/68/84/569256884.db2.gz QSUMPNXBSGLEPG-UHFFFAOYSA-N 0 0 419.087 5.120 50 0 HKAARN CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672686 558563169 /nfs/dbraw/zinc/56/31/69/558563169.db2.gz SUCZRVASFXLXDM-HNNXBMFYSA-N 0 0 401.341 5.722 50 0 in-vitro HKAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1SCc1ccccc1 ZINC000013678203 569004890 /nfs/dbraw/zinc/00/48/90/569004890.db2.gz KXRCNSPCKVHPBT-UHFFFAOYSA-N 0 0 416.546 5.467 50 0 HKAARN CC(=O)N([C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000013680795 558854485 /nfs/dbraw/zinc/85/44/85/558854485.db2.gz IHJAIEPRLUWUBQ-ILBGXUMGSA-N 0 0 409.570 5.678 50 0 HKAARN CN(C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000013681678 558854665 /nfs/dbraw/zinc/85/46/65/558854665.db2.gz UILRNQWJILQPJY-LEWJYISDSA-N 0 0 403.925 5.417 50 0 HKAARN CN(C(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000013681681 558854719 /nfs/dbraw/zinc/85/47/19/558854719.db2.gz UILRNQWJILQPJY-RTWAWAEBSA-N 0 0 403.925 5.417 50 0 HKAARN Cc1nc(-c2ccccc2)nc2sc3c(ncn(CCCc4ccccc4)c3=O)c21 ZINC000013681766 558567114 /nfs/dbraw/zinc/56/71/14/558567114.db2.gz YHMFEPFZMTWJPK-UHFFFAOYSA-N 0 0 412.518 5.009 50 0 HKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccccc2F)n1 ZINC000013682348 558567304 /nfs/dbraw/zinc/56/73/04/558567304.db2.gz YWQZCJVFXMRFMH-GOSISDBHSA-N 0 0 413.456 5.209 50 0 HKAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccccc2F)n1 ZINC000013682351 558567271 /nfs/dbraw/zinc/56/72/71/558567271.db2.gz YWQZCJVFXMRFMH-SFHVURJKSA-N 0 0 413.456 5.209 50 0 HKAARN CC(C)Cc1cc(-c2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn32)n[nH]1 ZINC000013683689 558568152 /nfs/dbraw/zinc/56/81/52/558568152.db2.gz HTIVIAAIYNHWOI-UHFFFAOYSA-N 0 0 414.538 5.032 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2)c1 ZINC000013685330 558569054 /nfs/dbraw/zinc/56/90/54/558569054.db2.gz UIZIUEVUZHVROR-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)c1 ZINC000013685402 558569387 /nfs/dbraw/zinc/56/93/87/558569387.db2.gz YDHQSDCCYLDITB-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)c(=O)[nH]c2c1 ZINC000013686215 558569704 /nfs/dbraw/zinc/56/97/04/558569704.db2.gz HTZRNLJNCIQWKZ-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000013686405 558569715 /nfs/dbraw/zinc/56/97/15/558569715.db2.gz ITMCKEBPHKUZQR-QFIPXVFZSA-N 0 0 417.534 5.252 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000013686408 558569743 /nfs/dbraw/zinc/56/97/43/558569743.db2.gz ITMCKEBPHKUZQR-JOCHJYFZSA-N 0 0 417.534 5.252 50 0 HKAARN S=C1N=C2C(=Cc3ccc(Cl)cc3)CCCC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000013686752 558569946 /nfs/dbraw/zinc/56/99/46/558569946.db2.gz KVSPYRASURNEPV-LBKOFNPBSA-N 0 0 401.362 6.445 50 0 HKAARN S=C1N=C2C(=Cc3ccc(Cl)cc3)CCCC2[C@H](c2ccc(Cl)cc2)N1 ZINC000013686758 558569922 /nfs/dbraw/zinc/56/99/22/558569922.db2.gz KVSPYRASURNEPV-QZEGLACASA-N 0 0 401.362 6.445 50 0 HKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000013687721 558570528 /nfs/dbraw/zinc/57/05/28/558570528.db2.gz KTDCISIHGWXREE-UHFFFAOYSA-N 0 0 410.271 5.001 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000013688436 558571014 /nfs/dbraw/zinc/57/10/14/558571014.db2.gz MUSRTZDBCUBRGG-UHFFFAOYSA-N 0 0 410.271 5.001 50 0 HKAARN CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(C)C3(C)C)cc1 ZINC000013688481 558570981 /nfs/dbraw/zinc/57/09/81/558570981.db2.gz HVAPYSXUWKPNHO-FLFQWRMESA-N 0 0 424.591 5.879 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)c1nn2c(nnc2-c2ccc3ccccc3n2)s1 ZINC000013688947 558571392 /nfs/dbraw/zinc/57/13/92/558571392.db2.gz OOSLSSNEINIKED-UHFFFAOYSA-N 0 0 421.913 5.369 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2c1 ZINC000013688957 558571382 /nfs/dbraw/zinc/57/13/82/558571382.db2.gz TYNSONGXFYZFPU-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000013689137 558571512 /nfs/dbraw/zinc/57/15/12/558571512.db2.gz VNNNGLPRJMRNPN-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)c1 ZINC000013689304 558571593 /nfs/dbraw/zinc/57/15/93/558571593.db2.gz YJOWHEJMHHIGQR-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)cc1 ZINC000013689412 558571584 /nfs/dbraw/zinc/57/15/84/558571584.db2.gz VBXZJKPPYLEOFJ-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2)cc1 ZINC000013689416 558571521 /nfs/dbraw/zinc/57/15/21/558571521.db2.gz HFDPMYROTPQTPZ-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3ccccc3o2)cc1 ZINC000013689432 558571861 /nfs/dbraw/zinc/57/18/61/558571861.db2.gz RFODNLYZRJNFPM-URGPHPNLSA-N 0 0 418.496 7.084 50 0 HKAARN COc1ccc(-c2coc3c(ccc4c3CN([C@@H](C)c3ccccc3)CO4)c2=O)cc1 ZINC000013689558 558855415 /nfs/dbraw/zinc/85/54/15/558855415.db2.gz BCSLZAVETSLTCB-KRWDZBQOSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN COc1ccc(-c2coc3c(ccc4c3CN([C@H](C)c3ccccc3)CO4)c2=O)cc1 ZINC000013689560 558855286 /nfs/dbraw/zinc/85/52/86/558855286.db2.gz BCSLZAVETSLTCB-QGZVFWFLSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3cccc(C)c3C)cc2c1 ZINC000013689717 558571903 /nfs/dbraw/zinc/57/19/03/558571903.db2.gz SNWDXVOEYRBVAK-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN COc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2c2cccnc12 ZINC000013690327 571308704 /nfs/dbraw/zinc/30/87/04/571308704.db2.gz QGHDINWUUMOTOQ-UHFFFAOYSA-N 0 0 404.278 5.412 50 0 HKAARN Clc1cccc(Cl)c1CSc1nnc2c3c4c(sc3ncn12)CCC4 ZINC000013690495 558572602 /nfs/dbraw/zinc/57/26/02/558572602.db2.gz IQIOKESYUPNEJY-UHFFFAOYSA-N 0 0 407.351 5.427 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1ccccc1)CC2 ZINC000013691494 558573411 /nfs/dbraw/zinc/57/34/11/558573411.db2.gz VTPXPICMHDLMEP-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1ccccc1)CC2 ZINC000013691495 558573395 /nfs/dbraw/zinc/57/33/95/558573395.db2.gz VTPXPICMHDLMEP-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN Clc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc54)nn23)c(Cl)c1 ZINC000013692565 558573977 /nfs/dbraw/zinc/57/39/77/558573977.db2.gz XIIITEXUTVYTNS-UHFFFAOYSA-N 0 0 416.293 5.220 50 0 HKAARN Clc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)c(Cl)c1 ZINC000013692638 558573973 /nfs/dbraw/zinc/57/39/73/558573973.db2.gz LQMWOQRHIHKWEZ-UHFFFAOYSA-N 0 0 416.293 5.220 50 0 HKAARN Fc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn32)cc1Br ZINC000013692733 558574240 /nfs/dbraw/zinc/57/42/40/558574240.db2.gz WEEFHTLVRMXQJD-UHFFFAOYSA-N 0 0 409.671 5.075 50 0 HKAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000013692746 558574252 /nfs/dbraw/zinc/57/42/52/558574252.db2.gz PKZRQYDQIXMFRZ-UHFFFAOYSA-N 0 0 403.385 5.238 50 0 HKAARN Cc1c2ccc(NC(=O)CCc3cc(Cl)no3)cc2oc1C(=O)c1ccccc1 ZINC000013693098 558574402 /nfs/dbraw/zinc/57/44/02/558574402.db2.gz ABGYIYNPWRTRAK-UHFFFAOYSA-N 0 0 408.841 5.185 50 0 HKAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)c2=O)cc1 ZINC000013693145 558856229 /nfs/dbraw/zinc/85/62/29/558856229.db2.gz HOGQFQOUNNQMAY-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 HKAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2C)c1S(=O)(=O)c1ccccc1 ZINC000013693521 558574811 /nfs/dbraw/zinc/57/48/11/558574811.db2.gz HGUMCQQZXODREL-UHFFFAOYSA-N 0 0 410.539 5.079 50 0 HKAARN COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2C)c(OC)c1 ZINC000013693712 558574862 /nfs/dbraw/zinc/57/48/62/558574862.db2.gz YIRWVPQWSAZCQQ-UHFFFAOYSA-N 0 0 419.506 5.245 50 0 HKAARN Cc1c2cc(NC(=O)CCc3cc(Cl)no3)ccc2oc1C(=O)c1ccccc1 ZINC000013693725 558574813 /nfs/dbraw/zinc/57/48/13/558574813.db2.gz BODXMQVMFMCINS-UHFFFAOYSA-N 0 0 408.841 5.185 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000013694909 569256986 /nfs/dbraw/zinc/25/69/86/569256986.db2.gz RQVNEEIAHZPHNM-UHFFFAOYSA-N 0 0 406.551 5.106 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cccc(C(F)(F)F)c1 ZINC000013694913 558856353 /nfs/dbraw/zinc/85/63/53/558856353.db2.gz AHWSRZBCCFNKEZ-UHFFFAOYSA-N 0 0 416.424 5.222 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccccc1C(F)(F)F ZINC000013694930 558856317 /nfs/dbraw/zinc/85/63/17/558856317.db2.gz AYJGBRLNTLYCFT-UHFFFAOYSA-N 0 0 416.424 5.222 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694972 569257015 /nfs/dbraw/zinc/25/70/15/569257015.db2.gz OJFOLUDEVRDGNW-UHFFFAOYSA-N 0 0 412.514 5.285 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000013695041 558856512 /nfs/dbraw/zinc/85/65/12/558856512.db2.gz OZWKFEWMSSLVGX-UHFFFAOYSA-N 0 0 402.416 5.037 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccccc1C(F)(F)F ZINC000013695049 558856508 /nfs/dbraw/zinc/85/65/08/558856508.db2.gz CFDBKSMJXICYOT-UHFFFAOYSA-N 0 0 402.416 5.037 50 0 HKAARN CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000013699931 569257245 /nfs/dbraw/zinc/25/72/45/569257245.db2.gz SOJGIYIYRCVLLY-UHFFFAOYSA-N 0 0 402.281 5.002 50 0 HKAARN CCn1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1C ZINC000013703697 569257301 /nfs/dbraw/zinc/25/73/01/569257301.db2.gz FLJWRGDABLTTMG-UHFFFAOYSA-N 0 0 402.281 5.002 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013704320 558857445 /nfs/dbraw/zinc/85/74/45/558857445.db2.gz FIZSVTZLILCHQS-UHFFFAOYSA-N 0 0 407.395 5.810 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000013704328 558857372 /nfs/dbraw/zinc/85/73/72/558857372.db2.gz VVZIZFWZHDLBGC-UHFFFAOYSA-N 0 0 423.394 5.690 50 0 HKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 ZINC000013711951 558576271 /nfs/dbraw/zinc/57/62/71/558576271.db2.gz QMGWRZDZOWIWAW-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN CCc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCCO)cc1 ZINC000013712132 558576405 /nfs/dbraw/zinc/57/64/05/558576405.db2.gz OZZYEJDCLIQOEH-UHFFFAOYSA-N 0 0 421.544 6.082 50 0 HKAARN CCCCn1c(-c2ccc(CC)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000013712472 558576808 /nfs/dbraw/zinc/57/68/08/558576808.db2.gz WBSPXWQQGNRUOP-UHFFFAOYSA-N 0 0 419.572 7.499 50 0 HKAARN Cc1ccc2cc(CN(C(=O)C3CCCCC3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000013712777 558576961 /nfs/dbraw/zinc/57/69/61/558576961.db2.gz VYCIIBZLLYIXAX-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 ZINC000013712865 558576996 /nfs/dbraw/zinc/57/69/96/558576996.db2.gz GRGOEJMOZXRETK-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c(C)c1 ZINC000013713403 558577366 /nfs/dbraw/zinc/57/73/66/558577366.db2.gz BLMGAJPSJVTZJX-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN CCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 ZINC000013713837 569257377 /nfs/dbraw/zinc/25/73/77/569257377.db2.gz XSTOUNUJXPDCQF-UHFFFAOYSA-N 0 0 413.890 5.154 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)cc1 ZINC000013714352 558577934 /nfs/dbraw/zinc/57/79/34/558577934.db2.gz RNTWPYWOBNDINO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)c1 ZINC000013714490 558578150 /nfs/dbraw/zinc/57/81/50/558578150.db2.gz PBBAZDOREPGPQQ-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN COc1ccc([C@H]2n3c4ccccc4nc3-c3ccccc3N2Cc2ccccc2)cc1 ZINC000013714568 558578131 /nfs/dbraw/zinc/57/81/31/558578131.db2.gz MWBIAKLXCKQCEP-MUUNZHRXSA-N 0 0 417.512 6.279 50 0 HKAARN COc1ccc([C@@H]2n3c4ccccc4nc3-c3ccccc3N2Cc2ccccc2)cc1 ZINC000013714571 558578187 /nfs/dbraw/zinc/57/81/87/558578187.db2.gz MWBIAKLXCKQCEP-NDEPHWFRSA-N 0 0 417.512 6.279 50 0 HKAARN Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1 ZINC000013714610 558578175 /nfs/dbraw/zinc/57/81/75/558578175.db2.gz LPJMDOGYADDLJW-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3cc(C)ccc3C)cc2c1 ZINC000013714752 558578344 /nfs/dbraw/zinc/57/83/44/558578344.db2.gz GFURLJCFCSOLLY-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 ZINC000013714934 558578518 /nfs/dbraw/zinc/57/85/18/558578518.db2.gz DCMNTCNHOFCVED-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3ccc(C)c(C)c3)cc2c1 ZINC000013715073 558578721 /nfs/dbraw/zinc/57/87/21/558578721.db2.gz KDLKGWFQBGDDSC-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN O=C(Cc1ccc(NC(=O)c2cccc3ccccc32)cc1)NCc1cccs1 ZINC000013716710 569257485 /nfs/dbraw/zinc/25/74/85/569257485.db2.gz YVOLGEUMINXVAI-UHFFFAOYSA-N 0 0 400.503 5.013 50 0 HKAARN C[C@H](c1nn2c(nnc2-c2ccccn2)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000013718383 558580561 /nfs/dbraw/zinc/58/05/61/558580561.db2.gz RJGIVBIMNJFUMY-AWEZNQCLSA-N 0 0 401.470 5.206 50 0 HKAARN C[C@@H](c1nn2c(nnc2-c2ccccn2)s1)c1ccc(-c2ccccc2)c(F)c1 ZINC000013718386 558580579 /nfs/dbraw/zinc/58/05/79/558580579.db2.gz RJGIVBIMNJFUMY-CQSZACIVSA-N 0 0 401.470 5.206 50 0 HKAARN CC(C)Cc1cc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn32)n[nH]1 ZINC000013719908 558581225 /nfs/dbraw/zinc/58/12/25/558581225.db2.gz HRCQBPRGGLASSY-UHFFFAOYSA-N 0 0 400.511 5.108 50 0 HKAARN FC(F)(F)c1ccc(Cl)c(NC(=S)N(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000013719923 558581267 /nfs/dbraw/zinc/58/12/67/558581267.db2.gz UFBJEPQPQYRVLY-AWEZNQCLSA-N 0 0 418.868 5.330 50 0 HKAARN FC(F)(F)c1ccc(Cl)c(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000013719927 558581258 /nfs/dbraw/zinc/58/12/58/558581258.db2.gz UFBJEPQPQYRVLY-CQSZACIVSA-N 0 0 418.868 5.330 50 0 HKAARN Cc1cc2oc(C(=O)Nc3nonc3-c3ccc(C(C)C)cc3)cc(=O)c2cc1Cl ZINC000013720456 558581434 /nfs/dbraw/zinc/58/14/34/558581434.db2.gz HOCJAYHQPUMOHT-UHFFFAOYSA-N 0 0 423.856 5.181 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000013720872 558581902 /nfs/dbraw/zinc/58/19/02/558581902.db2.gz UFZFXSALWMOSTH-HSZRJFAPSA-N 0 0 412.880 5.275 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000013720874 558581874 /nfs/dbraw/zinc/58/18/74/558581874.db2.gz UFZFXSALWMOSTH-QHCPKHFHSA-N 0 0 412.880 5.275 50 0 HKAARN CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013721233 558582082 /nfs/dbraw/zinc/58/20/82/558582082.db2.gz FCRUIEGDFFWBFT-RUZDIDTESA-N 0 0 406.489 5.184 50 0 HKAARN CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013721235 558582178 /nfs/dbraw/zinc/58/21/78/558582178.db2.gz FCRUIEGDFFWBFT-VWLOTQADSA-N 0 0 406.489 5.184 50 0 HKAARN COc1ccccc1-c1coc2c(ccc3c2CN([C@@H](C)c2ccccc2)CO3)c1=O ZINC000013723474 558860283 /nfs/dbraw/zinc/86/02/83/558860283.db2.gz HCBICQBWCAJYDL-KRWDZBQOSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN COc1ccccc1-c1coc2c(ccc3c2CN([C@H](C)c2ccccc2)CO3)c1=O ZINC000013723476 558860319 /nfs/dbraw/zinc/86/03/19/558860319.db2.gz HCBICQBWCAJYDL-QGZVFWFLSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000013723714 558583364 /nfs/dbraw/zinc/58/33/64/558583364.db2.gz WVAFJHULHYCZRG-UHFFFAOYSA-N 0 0 423.541 5.649 50 0 HKAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccccc1)CN(CCCc1ccccc1)CO3 ZINC000013724841 558860316 /nfs/dbraw/zinc/86/03/16/558860316.db2.gz DWJXKFPTHNZEDD-UHFFFAOYSA-N 0 0 411.501 5.553 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000013724973 558583900 /nfs/dbraw/zinc/58/39/00/558583900.db2.gz SNMFQBHSUFXCCR-UHFFFAOYSA-N 0 0 421.762 5.919 50 0 HKAARN Fc1ccc(-c2nnc3sc(-c4ccccc4Br)nn32)cc1Cl ZINC000013726666 558584521 /nfs/dbraw/zinc/58/45/21/558584521.db2.gz ZEDFMKOSJODOOD-UHFFFAOYSA-N 0 0 409.671 5.075 50 0 HKAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1C ZINC000013727806 558585278 /nfs/dbraw/zinc/58/52/78/558585278.db2.gz HEQBYCQUGKZKKB-UHFFFAOYSA-N 0 0 424.566 5.217 50 0 HKAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccc(Cl)cc1)CN(Cc1ccco1)CO3 ZINC000013727852 558860998 /nfs/dbraw/zinc/86/09/98/558860998.db2.gz YCEPKWZDVARXQY-UHFFFAOYSA-N 0 0 407.853 5.367 50 0 HKAARN CCc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013727886 558585286 /nfs/dbraw/zinc/58/52/86/558585286.db2.gz IFSBAVYCISZKNN-JOCHJYFZSA-N 0 0 412.518 5.245 50 0 HKAARN CCc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013727889 558585172 /nfs/dbraw/zinc/58/51/72/558585172.db2.gz IFSBAVYCISZKNN-QFIPXVFZSA-N 0 0 412.518 5.245 50 0 HKAARN CCn1c2ccccc2c2cc(/N=c3\cc(-c4cccs4)oc4ccccc43)ccc21 ZINC000013729760 558586048 /nfs/dbraw/zinc/58/60/48/558586048.db2.gz CWXHZRWNNUVAGY-XAYXJRQQSA-N 0 0 420.537 7.522 50 0 HKAARN Clc1ccc(SCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 ZINC000013730098 558586341 /nfs/dbraw/zinc/58/63/41/558586341.db2.gz YTQGNHVCYIYOSL-UHFFFAOYSA-N 0 0 409.927 5.347 50 0 HKAARN COc1cc(OC)c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1Cl ZINC000013731315 558586764 /nfs/dbraw/zinc/58/67/64/558586764.db2.gz GTADRCSZFOUTST-UHFFFAOYSA-N 0 0 406.866 5.181 50 0 HKAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4cccnc4)c(C)c3cc2c1-c1ccccc1 ZINC000013732396 558587183 /nfs/dbraw/zinc/58/71/83/558587183.db2.gz XBMVXYLBWZAHSA-UHFFFAOYSA-N 0 0 424.456 5.399 50 0 HKAARN COc1ccc(-c2c(=O)c3ccc4c(c3oc2C(F)(F)F)CN(C(C)C)CO4)cc1 ZINC000013733891 558861656 /nfs/dbraw/zinc/86/16/56/558861656.db2.gz MNNHJPJOLYFQPR-UHFFFAOYSA-N 0 0 419.399 5.048 50 0 HKAARN COc1cc(OC)c(NC(=O)c2sc(-c3ccccc3F)nc2C)cc1Cl ZINC000013734525 558588004 /nfs/dbraw/zinc/58/80/04/558588004.db2.gz CVFWQXIUHJGSDA-UHFFFAOYSA-N 0 0 406.866 5.181 50 0 HKAARN c1ccc(-c2ccc(-c3nn4c(nnc4-c4ccc5ccccc5n4)s3)cc2)cc1 ZINC000013735765 558588310 /nfs/dbraw/zinc/58/83/10/558588310.db2.gz VJBNTECEUGISDC-UHFFFAOYSA-N 0 0 405.486 5.735 50 0 HKAARN Cc1cc(NC(=S)Nc2ccc(Br)cc2)ccc1Br ZINC000013736934 569257518 /nfs/dbraw/zinc/25/75/18/569257518.db2.gz CKBDJVJAGSRRSB-UHFFFAOYSA-N 0 0 400.139 5.329 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1Br ZINC000013746001 569257508 /nfs/dbraw/zinc/25/75/08/569257508.db2.gz GVTRYNNNGKEKHL-UHFFFAOYSA-N 0 0 408.708 5.870 50 0 HKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)Nc1ccccc1Br ZINC000013746005 569257544 /nfs/dbraw/zinc/25/75/44/569257544.db2.gz UOEBYPLGNOWGEN-UHFFFAOYSA-N 0 0 408.708 5.870 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1C ZINC000013746009 569257498 /nfs/dbraw/zinc/25/74/98/569257498.db2.gz BLDLLYJPCOOWBB-UHFFFAOYSA-N 0 0 402.317 5.833 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)c(C)c1 ZINC000013746011 569257621 /nfs/dbraw/zinc/25/76/21/569257621.db2.gz RFZWWOCNKXGFAQ-UHFFFAOYSA-N 0 0 402.317 5.833 50 0 HKAARN CCCc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746013 569257661 /nfs/dbraw/zinc/25/76/61/569257661.db2.gz IPOMAVFPLGMXFS-UHFFFAOYSA-N 0 0 416.344 6.169 50 0 HKAARN CC(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746015 569257588 /nfs/dbraw/zinc/25/75/88/569257588.db2.gz WITOFMFBMHCGHT-UHFFFAOYSA-N 0 0 416.344 6.340 50 0 HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1Br ZINC000013746049 569257669 /nfs/dbraw/zinc/25/76/69/569257669.db2.gz WXEIJKLIWKNSLG-UHFFFAOYSA-N 0 0 409.327 5.793 50 0 HKAARN Cc1ccc(C)c(-c2csc(NC(=O)Nc3ccccc3Br)n2)c1 ZINC000013746455 569257655 /nfs/dbraw/zinc/25/76/55/569257655.db2.gz MKXPFUWHPMFYQZ-UHFFFAOYSA-N 0 0 402.317 5.833 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1 ZINC000013746457 569257633 /nfs/dbraw/zinc/25/76/33/569257633.db2.gz HNKGATDBRBWJPQ-UHFFFAOYSA-N 0 0 402.317 5.779 50 0 HKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(F)cc1 ZINC000013746472 569257677 /nfs/dbraw/zinc/25/76/77/569257677.db2.gz OQUJLDBRQBQNHF-UHFFFAOYSA-N 0 0 406.280 5.664 50 0 HKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1cccc(Cl)c1 ZINC000013746474 569257667 /nfs/dbraw/zinc/25/76/67/569257667.db2.gz VKVJYPBPMYGDLH-UHFFFAOYSA-N 0 0 422.735 6.178 50 0 HKAARN CCc1ccc(-c2nc(NC(=O)Nc3ccccc3Br)sc2C)cc1 ZINC000013746476 569257571 /nfs/dbraw/zinc/25/75/71/569257571.db2.gz FYUZOTMQJKUMIT-UHFFFAOYSA-N 0 0 416.344 6.087 50 0 HKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1cc(C)ccc1C ZINC000013746478 569257615 /nfs/dbraw/zinc/25/76/15/569257615.db2.gz FKDGQDWBHNAWQQ-UHFFFAOYSA-N 0 0 416.344 6.142 50 0 HKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C)c(C)c1 ZINC000013746482 569257602 /nfs/dbraw/zinc/25/76/02/569257602.db2.gz SMIVYQXJGFOIQC-UHFFFAOYSA-N 0 0 416.344 6.142 50 0 HKAARN CCc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccccc1 ZINC000013746484 569257598 /nfs/dbraw/zinc/25/75/98/569257598.db2.gz GBWXRYYTKHVBNM-UHFFFAOYSA-N 0 0 402.317 5.779 50 0 HKAARN Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C)cc1C ZINC000013746490 569257631 /nfs/dbraw/zinc/25/76/31/569257631.db2.gz PKMOQHAHBWAMSO-UHFFFAOYSA-N 0 0 416.344 6.142 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000013748550 558589162 /nfs/dbraw/zinc/58/91/62/558589162.db2.gz PGEKREJAFLETQP-WFASDCNBSA-N 0 0 411.955 5.627 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000013748672 558863628 /nfs/dbraw/zinc/86/36/28/558863628.db2.gz GOWILIUYCNKBPL-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000013748674 558863600 /nfs/dbraw/zinc/86/36/00/558863600.db2.gz GOWILIUYCNKBPL-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 ZINC000013750017 558589412 /nfs/dbraw/zinc/58/94/12/558589412.db2.gz NIMCOMNKDCCMBJ-YOEHRIQHSA-N 0 0 405.564 5.591 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 ZINC000013750579 558589614 /nfs/dbraw/zinc/58/96/14/558589614.db2.gz ANJHEJNDWOTWSQ-UHFFFAOYSA-N 0 0 424.573 6.268 50 0 HKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)c(C)c3)CC2=O)c1 ZINC000013750711 558589585 /nfs/dbraw/zinc/58/95/85/558589585.db2.gz ZCYGBJBVXRHHFD-QFIPXVFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)c(C)c3)CC2=O)c1 ZINC000013750714 558589601 /nfs/dbraw/zinc/58/96/01/558589601.db2.gz ZCYGBJBVXRHHFD-JOCHJYFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000013751034 558589676 /nfs/dbraw/zinc/58/96/76/558589676.db2.gz XSGYHOUEGCHLDK-JTHBVZDNSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000013751036 558589611 /nfs/dbraw/zinc/58/96/11/558589611.db2.gz XSGYHOUEGCHLDK-FYYLOGMGSA-N 0 0 419.322 6.000 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 ZINC000013751684 558589932 /nfs/dbraw/zinc/58/99/32/558589932.db2.gz RYTPEQQOLSFIHJ-WFASDCNBSA-N 0 0 411.955 5.627 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000013751749 558589890 /nfs/dbraw/zinc/58/98/90/558589890.db2.gz GQAIFZKRTCDEPV-WFASDCNBSA-N 0 0 411.955 5.627 50 0 HKAARN CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000013751822 558589870 /nfs/dbraw/zinc/58/98/70/558589870.db2.gz SKFGCOYVSPGRHC-QPPBQGQZSA-N 0 0 422.912 6.354 50 0 HKAARN CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000013751824 558589865 /nfs/dbraw/zinc/58/98/65/558589865.db2.gz SKFGCOYVSPGRHC-ZJSXRUAMSA-N 0 0 422.912 6.354 50 0 HKAARN COC(=O)c1occ(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1C ZINC000013756416 558590310 /nfs/dbraw/zinc/59/03/10/558590310.db2.gz KKKVBWDXVYYJDY-UHFFFAOYSA-N 0 0 424.836 5.380 50 0 HKAARN Cc1ccc(C(=O)NC(Nc2cccc(Cl)c2C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013756499 558590429 /nfs/dbraw/zinc/59/04/29/558590429.db2.gz XUVQVKUQZRHRPX-UHFFFAOYSA-N 0 0 424.772 5.620 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc3ccccc31)C(C)(C)N2 ZINC000013756507 558590329 /nfs/dbraw/zinc/59/03/29/558590329.db2.gz DZRYNIUBIUSEAQ-BZZOAKBMSA-N 0 0 418.587 6.922 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1O ZINC000013756713 558590416 /nfs/dbraw/zinc/59/04/16/558590416.db2.gz LTUXZYFCRGBJPQ-OUKQBFOZSA-N 0 0 419.278 5.024 50 0 HKAARN Cn1ccnc1SCC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013756723 558590411 /nfs/dbraw/zinc/59/04/11/558590411.db2.gz CSKUHYUIBBLQID-XMMPIXPASA-N 0 0 405.567 5.034 50 0 HKAARN Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013756725 558590612 /nfs/dbraw/zinc/59/06/12/558590612.db2.gz CSKUHYUIBBLQID-DEOSSOPVSA-N 0 0 405.567 5.034 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1cccc(O)c1 ZINC000013756957 558590548 /nfs/dbraw/zinc/59/05/48/558590548.db2.gz AYBQAPJNOGFFDQ-VAWYXSNFSA-N 0 0 419.278 5.024 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C)cc2)o1 ZINC000013757634 568719583 /nfs/dbraw/zinc/71/95/83/568719583.db2.gz SZFFOXDITBYPHE-KNQAVFIVSA-N 0 0 423.310 5.901 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C)cc2)o1 ZINC000013757636 558590550 /nfs/dbraw/zinc/59/05/50/558590550.db2.gz SZFFOXDITBYPHE-DENIHFKCSA-N 0 0 423.310 5.901 50 0 HKAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000013758058 558590841 /nfs/dbraw/zinc/59/08/41/558590841.db2.gz PTJJUAXAFWEBMS-FQEVSTJZSA-N 0 0 417.553 5.536 50 0 HKAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 ZINC000013758060 558590746 /nfs/dbraw/zinc/59/07/46/558590746.db2.gz PTJJUAXAFWEBMS-HXUWFJFHSA-N 0 0 417.553 5.536 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)c3cccc(C)c3C)cc2c1 ZINC000013758158 558590832 /nfs/dbraw/zinc/59/08/32/558590832.db2.gz NDGDLBUEUWSFDM-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc(Br)c3)=NN21 ZINC000013758269 558590829 /nfs/dbraw/zinc/59/08/29/558590829.db2.gz JIFSUSNWFDLSOD-MJGOQNOKSA-N 0 0 403.345 5.072 50 0 HKAARN CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3cccc(Br)c3)=NN21 ZINC000013758270 558590799 /nfs/dbraw/zinc/59/07/99/558590799.db2.gz JIFSUSNWFDLSOD-IEBWSBKVSA-N 0 0 403.345 5.072 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013758718 558590845 /nfs/dbraw/zinc/59/08/45/558590845.db2.gz VFGVYLKKXRDHIR-XXBNENTESA-N 0 0 422.843 5.450 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013758720 558590751 /nfs/dbraw/zinc/59/07/51/558590751.db2.gz VFGVYLKKXRDHIR-AUSIDOKSSA-N 0 0 422.843 5.450 50 0 HKAARN Clc1cccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)c1 ZINC000013758828 558590721 /nfs/dbraw/zinc/59/07/21/558590721.db2.gz GHWMOQHUGRUFAX-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000013758923 558591043 /nfs/dbraw/zinc/59/10/43/558591043.db2.gz WVTLFAQNICKGFW-UHFFFAOYSA-N 0 0 418.880 5.037 50 0 HKAARN Cc1ccc(Cl)cc1-n1ncc2c3nnc(Cc4cccc5ccccc54)n3cnc21 ZINC000013758999 558591003 /nfs/dbraw/zinc/59/10/03/558591003.db2.gz RBLWUNBJDHPURU-UHFFFAOYSA-N 0 0 424.895 5.169 50 0 HKAARN C[C@H](Nc1ccccc1)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000013759095 568719557 /nfs/dbraw/zinc/71/95/57/568719557.db2.gz RJOCGTBCVRCQJS-WQTXXOFMSA-N 0 0 404.897 5.114 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1C)C(C)(C)N2 ZINC000013764660 558590993 /nfs/dbraw/zinc/59/09/93/558590993.db2.gz OUIWNRSKLWQWSP-ATJXCDBQSA-N 0 0 416.999 6.730 50 0 HKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013768318 558591258 /nfs/dbraw/zinc/59/12/58/558591258.db2.gz RLMIZMYMVOPERF-URXFXBBRSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013768320 558591271 /nfs/dbraw/zinc/59/12/71/558591271.db2.gz RLMIZMYMVOPERF-QPPBQGQZSA-N 0 0 404.897 5.899 50 0 HKAARN COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 ZINC000013768470 558591428 /nfs/dbraw/zinc/59/14/28/558591428.db2.gz ANWAOCFDRKHYRJ-UHFFFAOYSA-N 0 0 418.880 5.037 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3cc(C)ccc3C)cc2c1 ZINC000013768558 558591456 /nfs/dbraw/zinc/59/14/56/558591456.db2.gz KPNAFISFWCBNJZ-UHFFFAOYSA-N 0 0 402.519 5.362 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000013768616 558591408 /nfs/dbraw/zinc/59/14/08/558591408.db2.gz OFCVVNIDTSWHAV-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000013768618 558591465 /nfs/dbraw/zinc/59/14/65/558591465.db2.gz OFCVVNIDTSWHAV-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013768804 558591431 /nfs/dbraw/zinc/59/14/31/558591431.db2.gz ICYIZDDLCQIKNC-NLFFAJNJSA-N 0 0 414.461 5.056 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013768806 558591491 /nfs/dbraw/zinc/59/14/91/558591491.db2.gz ICYIZDDLCQIKNC-CJFMBICVSA-N 0 0 414.461 5.056 50 0 HKAARN CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013768894 558591499 /nfs/dbraw/zinc/59/14/99/558591499.db2.gz ZIVSFWWZMHBQBX-YKSBVNFPSA-N 0 0 416.502 5.380 50 0 HKAARN CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013768896 558591445 /nfs/dbraw/zinc/59/14/45/558591445.db2.gz ZIVSFWWZMHBQBX-HYBUGGRVSA-N 0 0 416.502 5.380 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000013769051 558591420 /nfs/dbraw/zinc/59/14/20/558591420.db2.gz DJEVORJWNPYBCU-UHFFFAOYSA-N 0 0 402.519 5.362 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013769187 558591417 /nfs/dbraw/zinc/59/14/17/558591417.db2.gz LQYWKXXDJLYOON-XXBNENTESA-N 0 0 422.843 5.450 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013769189 558591488 /nfs/dbraw/zinc/59/14/88/558591488.db2.gz LQYWKXXDJLYOON-AUSIDOKSSA-N 0 0 422.843 5.450 50 0 HKAARN Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013769421 558591480 /nfs/dbraw/zinc/59/14/80/558591480.db2.gz DYRRULOYLOGSLG-UHFFFAOYSA-N 0 0 424.544 5.981 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)cc1OC ZINC000013770228 558591653 /nfs/dbraw/zinc/59/16/53/558591653.db2.gz FFRJHCZUBLVPPE-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)cc1OC ZINC000013770230 558591710 /nfs/dbraw/zinc/59/17/10/558591710.db2.gz FFRJHCZUBLVPPE-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013770241 558591782 /nfs/dbraw/zinc/59/17/82/558591782.db2.gz LPKKWTYOOMVCDL-WMZHIEFXSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013770243 558591687 /nfs/dbraw/zinc/59/16/87/558591687.db2.gz LPKKWTYOOMVCDL-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)c(C)c1 ZINC000013770649 558591777 /nfs/dbraw/zinc/59/17/77/558591777.db2.gz XWZFGDMYMBVNRE-UHFFFAOYSA-N 0 0 402.519 5.362 50 0 HKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000013770893 558591867 /nfs/dbraw/zinc/59/18/67/558591867.db2.gz NIPVKDBKULGGJR-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000013770895 558591870 /nfs/dbraw/zinc/59/18/70/558591870.db2.gz NIPVKDBKULGGJR-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 ZINC000013770938 558591832 /nfs/dbraw/zinc/59/18/32/558591832.db2.gz IIBBTTLBJOBAGV-XXBNENTESA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 ZINC000013770940 558591889 /nfs/dbraw/zinc/59/18/89/558591889.db2.gz IIBBTTLBJOBAGV-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000013773639 558592075 /nfs/dbraw/zinc/59/20/75/558592075.db2.gz JFOVZOHFIMVXNB-UHFFFAOYSA-N 0 0 410.502 5.686 50 0 HKAARN CCCOc1ccccc1/N=c1\ssc2c1-c1cc(OC)ccc1NC2(C)C ZINC000013773641 558592098 /nfs/dbraw/zinc/59/20/98/558592098.db2.gz UOETXTGDVNKCGH-LNVKXUELSA-N 0 0 412.580 6.167 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 ZINC000013773936 558592115 /nfs/dbraw/zinc/59/21/15/558592115.db2.gz MTGDFJXMSWUXNU-UHFFFAOYSA-N 0 0 424.529 5.994 50 0 HKAARN Cc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@@]23CCOC(C)(C)C3)c1 ZINC000013774071 558592149 /nfs/dbraw/zinc/59/21/49/558592149.db2.gz VXIZFBJYWYNFEU-DEOSSOPVSA-N 0 0 407.583 5.555 50 0 HKAARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000013774180 558592105 /nfs/dbraw/zinc/59/21/05/558592105.db2.gz GPUSFVVGYZBTRC-PGMHBOJBSA-N 0 0 415.452 5.032 50 0 HKAARN O=C([C@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc21 ZINC000013774231 558592050 /nfs/dbraw/zinc/59/20/50/558592050.db2.gz HLPFHHVQRDDGTI-ZEQRLZLVSA-N 0 0 416.952 5.860 50 0 HKAARN O=C([C@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc21 ZINC000013774233 558592068 /nfs/dbraw/zinc/59/20/68/558592068.db2.gz HLPFHHVQRDDGTI-RPWUZVMVSA-N 0 0 416.952 5.860 50 0 HKAARN O=C([C@@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc21 ZINC000013774235 558592338 /nfs/dbraw/zinc/59/23/38/558592338.db2.gz HLPFHHVQRDDGTI-BJKOFHAPSA-N 0 0 416.952 5.860 50 0 HKAARN O=C([C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc21 ZINC000013774237 558592221 /nfs/dbraw/zinc/59/22/21/558592221.db2.gz HLPFHHVQRDDGTI-DNQXCXABSA-N 0 0 416.952 5.860 50 0 HKAARN COc1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(C)C3(C)C)c(OC)c1 ZINC000013774342 558592232 /nfs/dbraw/zinc/59/22/32/558592232.db2.gz KIRTWUVQXPNNFB-LNVKXUELSA-N 0 0 412.580 5.720 50 0 HKAARN Clc1ccc(-n2ncc3c4nnc(-c5ccc(Cl)c(Cl)c5)n4cnc32)cc1 ZINC000013776440 558592554 /nfs/dbraw/zinc/59/25/54/558592554.db2.gz ANDXWUNCRCQJMQ-UHFFFAOYSA-N 0 0 415.671 5.090 50 0 HKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)c1C ZINC000013776586 558592543 /nfs/dbraw/zinc/59/25/43/558592543.db2.gz CFKLEBDVQNGVNV-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776850 558592532 /nfs/dbraw/zinc/59/25/32/558592532.db2.gz LVLIJHPPBVVOJP-YKSBVNFPSA-N 0 0 418.880 5.619 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013776852 558592539 /nfs/dbraw/zinc/59/25/39/558592539.db2.gz LVLIJHPPBVVOJP-HYBUGGRVSA-N 0 0 418.880 5.619 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(C)c4)=NN32)cc1OC ZINC000013776928 558592513 /nfs/dbraw/zinc/59/25/13/558592513.db2.gz LLRGKPJWNBLBNQ-OFVILXPXSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(C)c4)=NN32)cc1OC ZINC000013776930 558592531 /nfs/dbraw/zinc/59/25/31/558592531.db2.gz LLRGKPJWNBLBNQ-BWKNWUBXSA-N 0 0 400.478 5.255 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013777003 558592585 /nfs/dbraw/zinc/59/25/85/558592585.db2.gz QNIRSIRURLBZAG-WMZHIEFXSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013777006 558592529 /nfs/dbraw/zinc/59/25/29/558592529.db2.gz QNIRSIRURLBZAG-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN Brc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000013777050 558592535 /nfs/dbraw/zinc/59/25/35/558592535.db2.gz WXUWYNJPIHGOLC-PZJWPPBQSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000013777051 558592541 /nfs/dbraw/zinc/59/25/41/558592541.db2.gz WXUWYNJPIHGOLC-TZIWHRDSSA-N 0 0 406.283 5.086 50 0 HKAARN Cc1ccc2cc(CN(C(=O)c3ccccc3C)c3cc(C)ccc3C)c(=O)[nH]c2c1 ZINC000013777207 558592635 /nfs/dbraw/zinc/59/26/35/558592635.db2.gz POCIQHZKFUJDRU-UHFFFAOYSA-N 0 0 410.517 5.609 50 0 HKAARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000013777278 558592707 /nfs/dbraw/zinc/59/27/07/558592707.db2.gz YMXVTDIBOGMHGJ-UHFFFAOYSA-N 0 0 404.554 5.577 50 0 HKAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 ZINC000013777336 558592706 /nfs/dbraw/zinc/59/27/06/558592706.db2.gz GIYTWZRECQLAIO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1OC ZINC000013777403 558592697 /nfs/dbraw/zinc/59/26/97/558592697.db2.gz SVJFFUHNFVDESD-GAJHUEQPSA-N 0 0 422.506 5.016 50 0 HKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(OC)c1OC ZINC000013777405 558592695 /nfs/dbraw/zinc/59/26/95/558592695.db2.gz SVJFFUHNFVDESD-HXOBKFHXSA-N 0 0 422.506 5.016 50 0 HKAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(OC)c1OC ZINC000013777407 558592625 /nfs/dbraw/zinc/59/26/25/558592625.db2.gz SVJFFUHNFVDESD-UZUQRXQVSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC ZINC000013777559 558592657 /nfs/dbraw/zinc/59/26/57/558592657.db2.gz FQXYBGMRESVFEY-NVQXNPDNSA-N 0 0 414.505 5.563 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC ZINC000013777562 558592673 /nfs/dbraw/zinc/59/26/73/558592673.db2.gz FQXYBGMRESVFEY-GJZUVCINSA-N 0 0 414.505 5.563 50 0 HKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000013777893 569005060 /nfs/dbraw/zinc/00/50/60/569005060.db2.gz DTOBGDCSMFDRIY-AHWVRZQESA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000013777894 569005054 /nfs/dbraw/zinc/00/50/54/569005054.db2.gz DTOBGDCSMFDRIY-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000013777957 558592678 /nfs/dbraw/zinc/59/26/78/558592678.db2.gz SVWJSFGZNPWFDW-AHWVRZQESA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000013777959 558592691 /nfs/dbraw/zinc/59/26/91/558592691.db2.gz SVWJSFGZNPWFDW-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN Fc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)ccc1Cl ZINC000013778183 558592904 /nfs/dbraw/zinc/59/29/04/558592904.db2.gz UCJHIPRZLYIGIW-WMZHIEFXSA-N 0 0 422.843 5.450 50 0 HKAARN Fc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)ccc1Cl ZINC000013778185 558592916 /nfs/dbraw/zinc/59/29/16/558592916.db2.gz UCJHIPRZLYIGIW-AUSIDOKSSA-N 0 0 422.843 5.450 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000013778264 569005064 /nfs/dbraw/zinc/00/50/64/569005064.db2.gz CMYKWSFOAGVCNX-AHWVRZQESA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000013778268 569005067 /nfs/dbraw/zinc/00/50/67/569005067.db2.gz CMYKWSFOAGVCNX-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1cccs1)O2 ZINC000013778440 568719317 /nfs/dbraw/zinc/71/93/17/568719317.db2.gz KXCBZJUWWVWHBU-IERDGZPVSA-N 0 0 410.882 5.373 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccs1)O2 ZINC000013778443 568719541 /nfs/dbraw/zinc/71/95/41/568719541.db2.gz KXCBZJUWWVWHBU-IIBYNOLFSA-N 0 0 410.882 5.373 50 0 HKAARN Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1 ZINC000013778934 558592810 /nfs/dbraw/zinc/59/28/10/558592810.db2.gz DRKZIIMBIWOXCB-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1cccs1)NC(=O)c1cccs1 ZINC000013784769 558593174 /nfs/dbraw/zinc/59/31/74/558593174.db2.gz YATHHSDDHLGKMD-RVDMUPIBSA-N 0 0 422.453 5.238 50 0 HKAARN Cc1ccc2occ([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)c(=O)c2c1 ZINC000013785987 558593360 /nfs/dbraw/zinc/59/33/60/558593360.db2.gz AMHICPPKRKKGNC-GJZUVCINSA-N 0 0 408.457 5.344 50 0 HKAARN Cc1ccc2occ([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)c(=O)c2c1 ZINC000013785989 558593334 /nfs/dbraw/zinc/59/33/34/558593334.db2.gz AMHICPPKRKKGNC-ATIYNZHBSA-N 0 0 408.457 5.344 50 0 HKAARN COc1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1OC ZINC000013786205 558593303 /nfs/dbraw/zinc/59/33/03/558593303.db2.gz HPCQROMIZOAQHB-QPLCGJKRSA-N 0 0 416.546 5.709 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 ZINC000013786424 558593260 /nfs/dbraw/zinc/59/32/60/558593260.db2.gz MUHGJSQSIWIOBS-DHLKQENFSA-N 0 0 400.478 5.255 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1 ZINC000013786426 558593257 /nfs/dbraw/zinc/59/32/57/558593257.db2.gz MUHGJSQSIWIOBS-RDGATRHJSA-N 0 0 400.478 5.255 50 0 HKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000013786627 558593356 /nfs/dbraw/zinc/59/33/56/558593356.db2.gz LUEKYPPVXZMBGD-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 ZINC000013786629 558593364 /nfs/dbraw/zinc/59/33/64/558593364.db2.gz LUEKYPPVXZMBGD-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c1 ZINC000013786802 558593582 /nfs/dbraw/zinc/59/35/82/558593582.db2.gz XNPPDQPHTWYUSF-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013786826 558593585 /nfs/dbraw/zinc/59/35/85/558593585.db2.gz AIBDQQPNJGKKKO-GJZUVCINSA-N 0 0 412.489 5.781 50 0 HKAARN CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013786828 558593555 /nfs/dbraw/zinc/59/35/55/558593555.db2.gz AIBDQQPNJGKKKO-ATIYNZHBSA-N 0 0 412.489 5.781 50 0 HKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 ZINC000013787024 558593538 /nfs/dbraw/zinc/59/35/38/558593538.db2.gz TYNYDXOZPYBZJE-UPVQGACJSA-N 0 0 404.897 5.899 50 0 HKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1 ZINC000013787025 558593614 /nfs/dbraw/zinc/59/36/14/558593614.db2.gz TYNYDXOZPYBZJE-VWNXMTODSA-N 0 0 404.897 5.899 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000013787130 558593492 /nfs/dbraw/zinc/59/34/92/558593492.db2.gz AZUWZPOJYMRUBV-GJZUVCINSA-N 0 0 414.505 5.509 50 0 HKAARN CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000013787131 558593607 /nfs/dbraw/zinc/59/36/07/558593607.db2.gz AZUWZPOJYMRUBV-ATIYNZHBSA-N 0 0 414.505 5.509 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013787297 558593563 /nfs/dbraw/zinc/59/35/63/558593563.db2.gz QRSRGYUDRFUWCG-WMZHIEFXSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013787299 558593501 /nfs/dbraw/zinc/59/35/01/558593501.db2.gz QRSRGYUDRFUWCG-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3cccc(OC)c3)c2c1 ZINC000013787683 558593778 /nfs/dbraw/zinc/59/37/78/558593778.db2.gz VXIJDGSCCFELCZ-JLHYYAGUSA-N 0 0 423.472 5.055 50 0 HKAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 ZINC000013788265 558593694 /nfs/dbraw/zinc/59/36/94/558593694.db2.gz NIMRBRJRJHIHNO-UHFFFAOYSA-N 0 0 412.489 5.001 50 0 HKAARN CCCCn1c(-c2cccc(OC)c2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000013788441 558593797 /nfs/dbraw/zinc/59/37/97/558593797.db2.gz BGDRSTCFDDAUDA-UHFFFAOYSA-N 0 0 421.544 6.946 50 0 HKAARN CCOc1ccc/c(=N\Cc2ccccc2)c2c(C)n(-c3ccc(OC)cc3)c(C)c21 ZINC000013799167 558594400 /nfs/dbraw/zinc/59/44/00/558594400.db2.gz GDTJDBSRTFDCIO-ZZIIXHQDSA-N 0 0 412.533 5.756 50 0 HKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C(C)(C)C)cc1)O2 ZINC000013799390 558594354 /nfs/dbraw/zinc/59/43/54/558594354.db2.gz BGVVYWWQBQMVOY-RSXGOPAZSA-N 0 0 412.533 6.235 50 0 HKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(C(C)(C)C)cc1)O2 ZINC000013799393 558594385 /nfs/dbraw/zinc/59/43/85/558594385.db2.gz BGVVYWWQBQMVOY-AOYPEHQESA-N 0 0 412.533 6.235 50 0 HKAARN CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(-c3ccc(OC)cc3)c(C)c21 ZINC000013799455 558594361 /nfs/dbraw/zinc/59/43/61/558594361.db2.gz ZDOYDLXGJJEPAU-SLEBQGDGSA-N 0 0 404.554 5.888 50 0 HKAARN O=C1[C@H](c2ccccc2)[C@H](c2cccs2)N[C@@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000013799788 558594498 /nfs/dbraw/zinc/59/44/98/558594498.db2.gz UCZYTGZNLXWZAW-KIHHCIJBSA-N 0 0 415.583 6.332 50 0 HKAARN CCOc1ccc/c(=N\c2ccccc2N)c2c(C)n(-c3cccc(OC)c3)c(C)c21 ZINC000013800145 558594550 /nfs/dbraw/zinc/59/45/50/558594550.db2.gz YDCBUJNVTFIYRA-WEMUOSSPSA-N 0 0 413.521 5.469 50 0 HKAARN CCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013800200 558594506 /nfs/dbraw/zinc/59/45/06/558594506.db2.gz SOMMUXBZFUINMP-RSXGOPAZSA-N 0 0 414.505 5.726 50 0 HKAARN CCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013800203 558594571 /nfs/dbraw/zinc/59/45/71/558594571.db2.gz SOMMUXBZFUINMP-AOYPEHQESA-N 0 0 414.505 5.726 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1cccc2ccccc21 ZINC000013800861 558594537 /nfs/dbraw/zinc/59/45/37/558594537.db2.gz ICGYVFXMSZGHKR-WUKNDPDISA-N 0 0 408.888 6.363 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2cccs2)CCCC1 ZINC000013803106 569257789 /nfs/dbraw/zinc/25/77/89/569257789.db2.gz CIGUPNNWOZLBFP-UHFFFAOYSA-N 0 0 400.931 5.607 50 0 HKAARN COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3OC)c2c1 ZINC000013803818 558594764 /nfs/dbraw/zinc/59/47/64/558594764.db2.gz TXBSSJNRBLLGRC-SDNWHVSQSA-N 0 0 423.472 5.055 50 0 HKAARN Clc1cccc(Cl)c1CSc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000013804416 558594923 /nfs/dbraw/zinc/59/49/23/558594923.db2.gz XZXLOKGIQGJQSD-UHFFFAOYSA-N 0 0 421.378 5.817 50 0 HKAARN O=c1/c(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2nc3ccccc3n12 ZINC000013804610 558594933 /nfs/dbraw/zinc/59/49/33/558594933.db2.gz AWXPVPGWNAZVDW-ZDLGFXPLSA-N 0 0 413.285 5.024 50 0 HKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000013806234 558594937 /nfs/dbraw/zinc/59/49/37/558594937.db2.gz NTCCPBNKSHTEFN-ICSRJNTNSA-N 0 0 411.505 5.175 50 0 HKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 ZINC000013806237 558594985 /nfs/dbraw/zinc/59/49/85/558594985.db2.gz NTCCPBNKSHTEFN-AZUAARDMSA-N 0 0 411.505 5.175 50 0 HKAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000013806239 558594940 /nfs/dbraw/zinc/59/49/40/558594940.db2.gz NTCCPBNKSHTEFN-QUCCMNQESA-N 0 0 411.505 5.175 50 0 HKAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 ZINC000013806242 558594947 /nfs/dbraw/zinc/59/49/47/558594947.db2.gz NTCCPBNKSHTEFN-UYAOXDASSA-N 0 0 411.505 5.175 50 0 HKAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013809951 558595255 /nfs/dbraw/zinc/59/52/55/558595255.db2.gz CVPDBHKWYWGLPX-BOPFTXTBSA-N 0 0 417.770 5.963 50 0 HKAARN CCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 ZINC000013810125 558595430 /nfs/dbraw/zinc/59/54/30/558595430.db2.gz MQEDSOKADXQQAQ-VZCXRCSSSA-N 0 0 403.345 5.630 50 0 HKAARN Cc1ccc(-c2cs/c(=N\C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)c(C)c1 ZINC000013810312 558595416 /nfs/dbraw/zinc/59/54/16/558595416.db2.gz ZGRQMIMDQFXINB-SGEDCAFJSA-N 0 0 414.618 6.692 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000013810592 558595532 /nfs/dbraw/zinc/59/55/32/558595532.db2.gz LGNZMKRLGZEKBY-HSZRJFAPSA-N 0 0 424.953 5.497 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000013810593 558595598 /nfs/dbraw/zinc/59/55/98/558595598.db2.gz LGNZMKRLGZEKBY-QHCPKHFHSA-N 0 0 424.953 5.497 50 0 HKAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000013810756 558595562 /nfs/dbraw/zinc/59/55/62/558595562.db2.gz CDZOLELNRWLXCS-UNMCSNQZSA-N 0 0 403.913 6.235 50 0 HKAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000013810757 558595485 /nfs/dbraw/zinc/59/54/85/558595485.db2.gz CDZOLELNRWLXCS-RBBKRZOGSA-N 0 0 403.913 6.235 50 0 HKAARN CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000013810758 558595542 /nfs/dbraw/zinc/59/55/42/558595542.db2.gz CDZOLELNRWLXCS-IRLDBZIGSA-N 0 0 403.913 6.235 50 0 HKAARN CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000013810759 558595591 /nfs/dbraw/zinc/59/55/91/558595591.db2.gz CDZOLELNRWLXCS-IFMALSPDSA-N 0 0 403.913 6.235 50 0 HKAARN COCCn1c(-c2cccc(OC)c2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000013810851 558595568 /nfs/dbraw/zinc/59/55/68/558595568.db2.gz ZHEZDVACJNDHCO-UHFFFAOYSA-N 0 0 423.516 5.792 50 0 HKAARN Clc1cccc(Cl)c1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21 ZINC000013810881 558595786 /nfs/dbraw/zinc/59/57/86/558595786.db2.gz FOGLZPFCIIFPGZ-FQEVSTJZSA-N 0 0 420.303 6.300 50 0 HKAARN Clc1cccc(Cl)c1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21 ZINC000013810882 558595698 /nfs/dbraw/zinc/59/56/98/558595698.db2.gz FOGLZPFCIIFPGZ-HXUWFJFHSA-N 0 0 420.303 6.300 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000013810894 558595701 /nfs/dbraw/zinc/59/57/01/558595701.db2.gz VACGZMOFKIXJDH-LADGPHEKSA-N 0 0 424.878 6.477 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 ZINC000013810895 558595687 /nfs/dbraw/zinc/59/56/87/558595687.db2.gz VACGZMOFKIXJDH-ISKFKSNPSA-N 0 0 424.878 6.477 50 0 HKAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000013810917 558595754 /nfs/dbraw/zinc/59/57/54/558595754.db2.gz SFLSBDNJQBHHIL-UHFFFAOYSA-N 0 0 415.305 5.097 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000013811188 558595777 /nfs/dbraw/zinc/59/57/77/558595777.db2.gz HSQWAHVHTBBALJ-UHFFFAOYSA-N 0 0 419.868 5.708 50 0 HKAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)C1 ZINC000013811260 558595712 /nfs/dbraw/zinc/59/57/12/558595712.db2.gz IYYXYVNPVRMPNY-CALCHBBNSA-N 0 0 412.580 5.144 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000013811285 558595848 /nfs/dbraw/zinc/59/58/48/558595848.db2.gz XDPUBZCURJULKH-UHFFFAOYSA-N 0 0 419.868 5.708 50 0 HKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2cc(Cl)sc2Cl)n1 ZINC000013811424 558595789 /nfs/dbraw/zinc/59/57/89/558595789.db2.gz YOCITVSKBJLWQV-UHFFFAOYSA-N 0 0 423.346 6.282 50 0 HKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1C ZINC000013816362 558596172 /nfs/dbraw/zinc/59/61/72/558596172.db2.gz WUZWFRWVRHLXHZ-ZKWNWVNESA-N 0 0 409.614 7.785 50 0 in-vitro HKAARN O=C(NCCc1nc2ccccc2n1CCCCOc1ccccc1)C1CCCCC1 ZINC000013828243 558596442 /nfs/dbraw/zinc/59/64/42/558596442.db2.gz ASBFYSZRZOQALP-UHFFFAOYSA-N 0 0 419.569 5.135 50 0 HKAARN O=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCCC1 ZINC000013828272 558596333 /nfs/dbraw/zinc/59/63/33/558596333.db2.gz QGQDUNYIRIMZDE-UHFFFAOYSA-N 0 0 419.569 5.135 50 0 HKAARN Cc1ccc2occ(-c3cc(-c4ccccc4)nc4c3COc3ccccc3-4)c(=O)c2c1 ZINC000013828351 558885474 /nfs/dbraw/zinc/88/54/74/558885474.db2.gz DIDDBNQWUNPWNR-UHFFFAOYSA-N 0 0 417.464 6.390 50 0 HKAARN O=C1COc2ccc(-c3cc(-c4ccccc4)c4c(n3)-c3ccccc3OC4)cc2N1 ZINC000013828410 558885641 /nfs/dbraw/zinc/88/56/41/558885641.db2.gz SCTUCOGDRXWAKE-UHFFFAOYSA-N 0 0 406.441 5.306 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc3c2COc2ccccc2-3)cc1 ZINC000013828412 558885626 /nfs/dbraw/zinc/88/56/26/558885626.db2.gz CYHBAYUXRRGQJY-UHFFFAOYSA-N 0 0 420.468 5.614 50 0 HKAARN O=C1COc2ccc(-c3cc(-c4ccc(F)cc4)c4c(n3)-c3ccccc3OC4)cc2N1 ZINC000013828428 558885497 /nfs/dbraw/zinc/88/54/97/558885497.db2.gz TWGKYNWXYHKCOX-UHFFFAOYSA-N 0 0 424.431 5.445 50 0 HKAARN Cc1ccc2c(c1)-c1nc(-c3ccc4c(c3)NC(=O)CO4)cc(-c3ccccc3)c1CO2 ZINC000013828430 558885529 /nfs/dbraw/zinc/88/55/29/558885529.db2.gz ZMQWIUDQFHSCOX-UHFFFAOYSA-N 0 0 420.468 5.614 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000013828492 558885359 /nfs/dbraw/zinc/88/53/59/558885359.db2.gz HWYYQQZODSJCLO-UHFFFAOYSA-N 0 0 401.412 6.262 50 0 HKAARN Cc1ccc(-c2cc(-c3coc4ccccc4c3=O)c3c(n2)-c2ccccc2OC3)cc1 ZINC000013828500 558885342 /nfs/dbraw/zinc/88/53/42/558885342.db2.gz QWRVVQXNXDLVNZ-UHFFFAOYSA-N 0 0 417.464 6.390 50 0 HKAARN Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc32)n1 ZINC000013829336 558596598 /nfs/dbraw/zinc/59/65/98/558596598.db2.gz HIJMSZGHKQPPJS-UHFFFAOYSA-N 0 0 421.529 5.714 50 0 in-vitro HKAARN O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1 ZINC000013831338 558596613 /nfs/dbraw/zinc/59/66/13/558596613.db2.gz RDTDWGQDFJPTPD-UHFFFAOYSA-N 0 0 413.403 5.331 50 0 in-vivo HKAARN COC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000013838090 558596860 /nfs/dbraw/zinc/59/68/60/558596860.db2.gz IIGVODOKKYCPMK-AREMUKBSSA-N 0 0 424.500 5.252 50 0 HKAARN COC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000013838093 558596755 /nfs/dbraw/zinc/59/67/55/558596755.db2.gz IIGVODOKKYCPMK-SANMLTNESA-N 0 0 424.500 5.252 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 ZINC000013838138 558596803 /nfs/dbraw/zinc/59/68/03/558596803.db2.gz RKKDFOIHZJDITN-UHFFFAOYSA-N 0 0 422.868 5.483 50 0 HKAARN COc1ccc([C@@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)cc1Br ZINC000013838242 558596810 /nfs/dbraw/zinc/59/68/10/558596810.db2.gz LFFQXOVUTKIQQA-KRWDZBQOSA-N 0 0 415.312 5.615 50 0 HKAARN COc1ccc([C@H]2Nc3scc(-c4ccccc4)c3C(=O)N2)cc1Br ZINC000013838245 558596854 /nfs/dbraw/zinc/59/68/54/558596854.db2.gz LFFQXOVUTKIQQA-QGZVFWFLSA-N 0 0 415.312 5.615 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000013839661 558597222 /nfs/dbraw/zinc/59/72/22/558597222.db2.gz XKQZYHNCQNZAJB-UHFFFAOYSA-N 0 0 406.869 5.398 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1Cl ZINC000013842551 558597207 /nfs/dbraw/zinc/59/72/07/558597207.db2.gz KACISUPLCPFEKI-UHFFFAOYSA-N 0 0 412.276 5.798 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000013843221 558597312 /nfs/dbraw/zinc/59/73/12/558597312.db2.gz XCPOGABPLQEYCQ-UHFFFAOYSA-N 0 0 411.889 5.084 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Cl)cc1Cl ZINC000013843271 558597381 /nfs/dbraw/zinc/59/73/81/558597381.db2.gz CKNSJZQNGLGLSR-UHFFFAOYSA-N 0 0 411.244 5.414 50 0 HKAARN CC(C)(C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013844875 558597547 /nfs/dbraw/zinc/59/75/47/558597547.db2.gz QUBYGDKGMLZGFC-XMMPIXPASA-N 0 0 414.936 6.832 50 0 HKAARN CC(C)(C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013844877 558597727 /nfs/dbraw/zinc/59/77/27/558597727.db2.gz QUBYGDKGMLZGFC-DEOSSOPVSA-N 0 0 414.936 6.832 50 0 HKAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013847233 558597732 /nfs/dbraw/zinc/59/77/32/558597732.db2.gz QZTPWQLYOIGVQU-KRWDZBQOSA-N 0 0 404.535 5.542 50 0 HKAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013847236 558597802 /nfs/dbraw/zinc/59/78/02/558597802.db2.gz QZTPWQLYOIGVQU-QGZVFWFLSA-N 0 0 404.535 5.542 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(OC)c1 ZINC000013855786 558598241 /nfs/dbraw/zinc/59/82/41/558598241.db2.gz LCUQOBJQOATGHW-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N(c1ccccc1)c1ccccc1 ZINC000013856340 560829002 /nfs/dbraw/zinc/82/90/02/560829002.db2.gz JHBCTQYFSHJFRB-UHFFFAOYSA-N 0 0 420.925 5.582 50 0 HKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000013856361 558598402 /nfs/dbraw/zinc/59/84/02/558598402.db2.gz SPDMCAXJCVYNEN-UHFFFAOYSA-N 0 0 402.947 5.087 50 0 HKAARN CCOc1cc(-c2nn3c(nnc3-c3ccccc3C)s2)cc(OCC)c1OCC ZINC000013858119 558598797 /nfs/dbraw/zinc/59/87/97/558598797.db2.gz UAXNEGWPZVFWFH-UHFFFAOYSA-N 0 0 424.526 5.024 50 0 HKAARN Fc1cc(F)c([C@@H]2SCCN2C(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000013865094 558599030 /nfs/dbraw/zinc/59/90/30/558599030.db2.gz CLVLFDRKMMENFL-HNNXBMFYSA-N 0 0 422.419 5.567 50 0 HKAARN Fc1cc(F)c([C@H]2SCCN2C(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000013865096 558598980 /nfs/dbraw/zinc/59/89/80/558598980.db2.gz CLVLFDRKMMENFL-OAHLLOKOSA-N 0 0 422.419 5.567 50 0 HKAARN COc1ccc(O[C@@H](C)c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000013873810 558598966 /nfs/dbraw/zinc/59/89/66/558598966.db2.gz RTYWJOFILIWHLA-ZDUSSCGKSA-N 0 0 423.460 5.275 50 0 HKAARN COc1ccc(O[C@H](C)c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000013873811 558599032 /nfs/dbraw/zinc/59/90/32/558599032.db2.gz RTYWJOFILIWHLA-CYBMUJFWSA-N 0 0 423.460 5.275 50 0 HKAARN Cc1[nH]c2ccccc2c1CCN(Cc1cccs1)C(=S)Nc1ccccc1 ZINC000013878742 558889708 /nfs/dbraw/zinc/88/97/08/558889708.db2.gz UZBLYDKXPZUIQZ-UHFFFAOYSA-N 0 0 405.592 5.980 50 0 HKAARN C[C@]12[C@@H](c3ccc(F)cc3)c3ccccc3O[C@@]1(c1cccs1)C2(Cl)Cl ZINC000013879900 558599185 /nfs/dbraw/zinc/59/91/85/558599185.db2.gz LGQNCDSWNAUXGK-SLFFLAALSA-N 0 0 405.321 6.501 50 0 HKAARN C[C@]12[C@H](c3ccc(F)cc3)c3ccccc3O[C@@]1(c1cccs1)C2(Cl)Cl ZINC000013879902 558599260 /nfs/dbraw/zinc/59/92/60/558599260.db2.gz LGQNCDSWNAUXGK-HSALFYBXSA-N 0 0 405.321 6.501 50 0 HKAARN O=C1S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 ZINC000013880726 558599479 /nfs/dbraw/zinc/59/94/79/558599479.db2.gz INGGCFVOTVHJTJ-QGOAFFKASA-N 0 0 414.408 5.737 50 0 HKAARN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O ZINC000013880873 558599486 /nfs/dbraw/zinc/59/94/86/558599486.db2.gz IUTISFYJQRJALE-XKZIYDEJSA-N 0 0 421.493 6.003 50 0 HKAARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000013881116 558599689 /nfs/dbraw/zinc/59/96/89/558599689.db2.gz OUTXWHNKLCHHLR-GEYIUBJWSA-N 0 0 415.942 6.062 50 0 HKAARN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000013881118 558599722 /nfs/dbraw/zinc/59/97/22/558599722.db2.gz OUTXWHNKLCHHLR-DKNZLLBESA-N 0 0 415.942 6.062 50 0 HKAARN Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2Cl)cc1 ZINC000013881256 558599628 /nfs/dbraw/zinc/59/96/28/558599628.db2.gz CUQFVSKVDODSHI-XSFVSMFZSA-N 0 0 417.848 5.212 50 0 HKAARN Cc1ccccc1-n1c(/C=C/c2ccc(Br)cc2)nc2ccccc2c1=O ZINC000013882058 558599830 /nfs/dbraw/zinc/59/98/30/558599830.db2.gz BZJYWRLXTQUUKJ-NTCAYCPXSA-N 0 0 417.306 5.627 50 0 HKAARN O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000013882139 558599848 /nfs/dbraw/zinc/59/98/48/558599848.db2.gz YSXAPEGSVCUCDP-UHFFFAOYSA-N 0 0 417.690 5.329 50 0 HKAARN CCCCc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 ZINC000013882267 558599936 /nfs/dbraw/zinc/59/99/36/558599936.db2.gz SLZOIJGFWZVJJJ-WVKNIADZSA-N 0 0 412.965 5.208 50 0 HKAARN Nc1c(C(=O)N2CCc3ccccc32)sc2nc(C(F)F)cc(-c3ccccc3)c12 ZINC000013882272 558599838 /nfs/dbraw/zinc/59/98/38/558599838.db2.gz CJVJNVQQDXDXMD-UHFFFAOYSA-N 0 0 421.472 5.686 50 0 HKAARN COC(=O)CCc1sc(Nc2ccc(F)c(F)c2F)nc1-c1ccc(OC)cc1 ZINC000013893073 558599877 /nfs/dbraw/zinc/59/98/77/558599877.db2.gz SFEIIASJHCMSFM-UHFFFAOYSA-N 0 0 422.428 5.085 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccc(Br)cc3)nn21 ZINC000013893898 558600166 /nfs/dbraw/zinc/60/01/66/558600166.db2.gz ZASJRNQDLHTZBG-UHFFFAOYSA-N 0 0 424.245 5.906 50 0 HKAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1cccc(Cl)c1 ZINC000013894877 558600311 /nfs/dbraw/zinc/60/03/11/558600311.db2.gz HAQGIDDVDIWGMA-UHFFFAOYSA-N 0 0 424.747 5.093 50 0 HKAARN Clc1ccc2o/c(=N\c3nccs3)c(-c3nc(-c4ccccc4)cs3)cc2c1 ZINC000013894925 558600330 /nfs/dbraw/zinc/60/03/30/558600330.db2.gz LNPBRHPBYXOMJW-PLRJNAJWSA-N 0 0 421.934 6.566 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)c1cccc(C(=O)Nc2ccc(Cl)cc2F)n1 ZINC000013895378 558663507 /nfs/dbraw/zinc/66/35/07/558663507.db2.gz KGRMLBMRVBTAHZ-UHFFFAOYSA-N 0 0 422.218 5.171 50 0 HKAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1ccco1 ZINC000013895636 558600283 /nfs/dbraw/zinc/60/02/83/558600283.db2.gz DKHKDSYUGRLMEC-UHFFFAOYSA-N 0 0 424.412 5.125 50 0 HKAARN COc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 ZINC000013895985 558600630 /nfs/dbraw/zinc/60/06/30/558600630.db2.gz VUGICZGBZBZRSK-HYARGMPZSA-N 0 0 419.864 5.272 50 0 HKAARN O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000013896131 558600520 /nfs/dbraw/zinc/60/05/20/558600520.db2.gz SHOYNIQDFXZNKN-SFQUDFHCSA-N 0 0 424.323 5.315 50 0 HKAARN O=c1[nH]c2ccc(F)cc2c(-c2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000013896380 558600581 /nfs/dbraw/zinc/60/05/81/558600581.db2.gz IIMNVRMMNSZHOW-UHFFFAOYSA-N 0 0 416.304 6.792 50 0 HKAARN CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000013896542 558600619 /nfs/dbraw/zinc/60/06/19/558600619.db2.gz AUDIHAJWOHMSHU-UHFFFAOYSA-N 0 0 406.825 5.326 50 0 HKAARN CC(C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000013897246 558600535 /nfs/dbraw/zinc/60/05/35/558600535.db2.gz FTCWKSGDHXCEMZ-CPJSRVTESA-N 0 0 412.533 5.856 50 0 HKAARN Cc1ccc2c(c1)[C@@H](Sc1nc3ccccc3o1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000013897762 132459681 /nfs/dbraw/zinc/45/96/81/132459681.db2.gz XCVZLOZNQKINSN-HXOBKFHXSA-N 0 0 414.530 6.409 50 0 HKAARN O=c1[nH]c(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000013898152 558600792 /nfs/dbraw/zinc/60/07/92/558600792.db2.gz OUMOCIQETVDWBJ-UHFFFAOYSA-N 0 0 417.317 6.097 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000013898889 558600939 /nfs/dbraw/zinc/60/09/39/558600939.db2.gz HZMJLPFWQKDPFZ-JLHYYAGUSA-N 0 0 419.278 5.909 50 0 HKAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1 ZINC000013926147 558602583 /nfs/dbraw/zinc/60/25/83/558602583.db2.gz BVIYQRCLSKPPTK-BKUYFWCQSA-N 0 0 417.436 5.148 50 0 HKAARN Cc1ccccc1C1=N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O1 ZINC000013927489 558602566 /nfs/dbraw/zinc/60/25/66/558602566.db2.gz QEFWIVYUUDFBJA-HMAPJEAMSA-N 0 0 403.865 5.572 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000013937875 558603865 /nfs/dbraw/zinc/60/38/65/558603865.db2.gz QVFWYKSUDLYTTA-UHFFFAOYSA-N 0 0 411.367 5.450 50 0 HKAARN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000013939770 558604071 /nfs/dbraw/zinc/60/40/71/558604071.db2.gz LSACCEDUWBPNAS-NCUBORBFSA-N 0 0 419.308 5.264 50 0 HKAARN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000013939772 558604054 /nfs/dbraw/zinc/60/40/54/558604054.db2.gz LSACCEDUWBPNAS-FHNWIRHTSA-N 0 0 419.308 5.264 50 0 HKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 ZINC000013940159 569423224 /nfs/dbraw/zinc/42/32/24/569423224.db2.gz YEIOXXMGPQQSIB-UHFFFAOYSA-N 0 0 422.488 5.208 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000013940496 558604208 /nfs/dbraw/zinc/60/42/08/558604208.db2.gz BBSAJVOLHPEMIN-UHFFFAOYSA-N 0 0 422.887 6.837 50 0 HKAARN Clc1ccc(-c2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3n2)cc1 ZINC000013940542 558604185 /nfs/dbraw/zinc/60/41/85/558604185.db2.gz SERHGNNTRMCBOQ-UHFFFAOYSA-N 0 0 418.283 6.926 50 0 HKAARN O=C(COc1ccccc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000013940545 558604187 /nfs/dbraw/zinc/60/41/87/558604187.db2.gz PAZZUAKFVNNBBS-UHFFFAOYSA-N 0 0 414.795 5.444 50 0 HKAARN Cc1ccc2c(c1)[C@H](Sc1cccc3cccnc31)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000013940607 558604172 /nfs/dbraw/zinc/60/41/72/558604172.db2.gz VNPKWWHWPUNQTI-KBMIEXCESA-N 0 0 424.569 6.816 50 0 HKAARN Cc1ccc2c(c1)[C@H](Sc1cccc3cccnc31)C[C@H](C)N2C(=O)c1ccccc1 ZINC000013940608 558604253 /nfs/dbraw/zinc/60/42/53/558604253.db2.gz VNPKWWHWPUNQTI-UQBPGWFLSA-N 0 0 424.569 6.816 50 0 HKAARN Cc1ccc2c(c1)[C@@H](Sc1cccc3cccnc31)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000013940609 558604244 /nfs/dbraw/zinc/60/42/44/558604244.db2.gz VNPKWWHWPUNQTI-CLOONOSVSA-N 0 0 424.569 6.816 50 0 HKAARN Cc1ccc2c(c1)[C@@H](Sc1cccc3cccnc31)C[C@H](C)N2C(=O)c1ccccc1 ZINC000013940610 558604224 /nfs/dbraw/zinc/60/42/24/558604224.db2.gz VNPKWWHWPUNQTI-DFBJGRDBSA-N 0 0 424.569 6.816 50 0 HKAARN O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCCOc2ccccc2Cl)c1 ZINC000013940747 558604247 /nfs/dbraw/zinc/60/42/47/558604247.db2.gz JIKAJJBFTJEJCI-LTGZKZEYSA-N 0 0 419.864 5.142 50 0 HKAARN Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000013940884 558604549 /nfs/dbraw/zinc/60/45/49/558604549.db2.gz NDORPBMVTRMLKE-UHFFFAOYSA-N 0 0 420.357 5.154 50 0 HKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000013941650 558604463 /nfs/dbraw/zinc/60/44/63/558604463.db2.gz QRJQKOFWVJXVAV-CQSZACIVSA-N 0 0 423.856 5.364 50 0 HKAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)CCCC5)n3C)n2)cc1 ZINC000013941893 558604689 /nfs/dbraw/zinc/60/46/89/558604689.db2.gz DJIKGWGUZDUJNE-UHFFFAOYSA-N 0 0 417.538 5.012 50 0 HKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 ZINC000013941949 558604581 /nfs/dbraw/zinc/60/45/81/558604581.db2.gz LBNRZDGJDKRTJD-UHFFFAOYSA-N 0 0 421.294 6.072 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C1CCCCC1 ZINC000013942339 558604861 /nfs/dbraw/zinc/60/48/61/558604861.db2.gz YLDSOIMEBCUVJL-HHHXNRCGSA-N 0 0 406.529 6.713 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C1CCCCC1 ZINC000013942340 558604884 /nfs/dbraw/zinc/60/48/84/558604884.db2.gz YLDSOIMEBCUVJL-MHZLTWQESA-N 0 0 406.529 6.713 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1c1ccccc1 ZINC000013942344 558604877 /nfs/dbraw/zinc/60/48/77/558604877.db2.gz GMZDSFJNDRKCFV-HHHXNRCGSA-N 0 0 400.481 6.585 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1c1ccccc1 ZINC000013942346 558604897 /nfs/dbraw/zinc/60/48/97/558604897.db2.gz GMZDSFJNDRKCFV-MHZLTWQESA-N 0 0 400.481 6.585 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(C)C)cc1 ZINC000013942347 558604801 /nfs/dbraw/zinc/60/48/01/558604801.db2.gz XFFSTKJUWHNTCE-HHHXNRCGSA-N 0 0 408.545 6.735 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(C)C)cc1 ZINC000013942349 558604873 /nfs/dbraw/zinc/60/48/73/558604873.db2.gz XFFSTKJUWHNTCE-MHZLTWQESA-N 0 0 408.545 6.735 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000013942350 558604816 /nfs/dbraw/zinc/60/48/16/558604816.db2.gz FDLLEWAYXDDHJV-MUUNZHRXSA-N 0 0 420.556 7.021 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000013942352 558604879 /nfs/dbraw/zinc/60/48/79/558604879.db2.gz FDLLEWAYXDDHJV-NDEPHWFRSA-N 0 0 420.556 7.021 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000013942353 558604826 /nfs/dbraw/zinc/60/48/26/558604826.db2.gz MHFRLLDCECBMIV-CCLHPLFOSA-N 0 0 422.528 5.868 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000013942355 558604838 /nfs/dbraw/zinc/60/48/38/558604838.db2.gz MHFRLLDCECBMIV-DCFHFQCYSA-N 0 0 422.528 5.868 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000013942357 558604843 /nfs/dbraw/zinc/60/48/43/558604843.db2.gz MHFRLLDCECBMIV-NFQMXDRXSA-N 0 0 422.528 5.868 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000013942359 558604834 /nfs/dbraw/zinc/60/48/34/558604834.db2.gz MHFRLLDCECBMIV-HRFSGMKKSA-N 0 0 422.528 5.868 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000013942362 558604865 /nfs/dbraw/zinc/60/48/65/558604865.db2.gz LNZFURHNVQCHIZ-MUUNZHRXSA-N 0 0 414.508 6.893 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000013942364 558604812 /nfs/dbraw/zinc/60/48/12/558604812.db2.gz LNZFURHNVQCHIZ-NDEPHWFRSA-N 0 0 414.508 6.893 50 0 HKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000013942404 558605030 /nfs/dbraw/zinc/60/50/30/558605030.db2.gz XXIOKGIROTXMJU-CCLHPLFOSA-N 0 0 422.528 5.570 50 0 HKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000013942406 558605019 /nfs/dbraw/zinc/60/50/19/558605019.db2.gz XXIOKGIROTXMJU-DCFHFQCYSA-N 0 0 422.528 5.570 50 0 HKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1-c1ccccc1 ZINC000013942408 558605066 /nfs/dbraw/zinc/60/50/66/558605066.db2.gz XXIOKGIROTXMJU-NFQMXDRXSA-N 0 0 422.528 5.570 50 0 HKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1-c1ccccc1 ZINC000013942410 558605011 /nfs/dbraw/zinc/60/50/11/558605011.db2.gz XXIOKGIROTXMJU-HRFSGMKKSA-N 0 0 422.528 5.570 50 0 HKAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)cc1 ZINC000013942412 558605012 /nfs/dbraw/zinc/60/50/12/558605012.db2.gz XIGRIJQPDHQWEU-MUUNZHRXSA-N 0 0 422.572 6.745 50 0 HKAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)cc1 ZINC000013942413 558605042 /nfs/dbraw/zinc/60/50/42/558605042.db2.gz XIGRIJQPDHQWEU-NDEPHWFRSA-N 0 0 422.572 6.745 50 0 HKAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013942447 558604990 /nfs/dbraw/zinc/60/49/90/558604990.db2.gz JHQIJHJALPMDFX-AREMUKBSSA-N 0 0 412.508 6.565 50 0 HKAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013942449 558604988 /nfs/dbraw/zinc/60/49/88/558604988.db2.gz JHQIJHJALPMDFX-SANMLTNESA-N 0 0 412.508 6.565 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(C)C)c1 ZINC000013942485 558604980 /nfs/dbraw/zinc/60/49/80/558604980.db2.gz KIORQUDAWHYCBB-HHHXNRCGSA-N 0 0 424.544 6.435 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(C)C)c1 ZINC000013942487 558605068 /nfs/dbraw/zinc/60/50/68/558605068.db2.gz KIORQUDAWHYCBB-MHZLTWQESA-N 0 0 424.544 6.435 50 0 HKAARN O=c1[nH]c(-c2ccc(OCc3ccccc3Cl)cc2)nc2sc3c(c21)CCCC3 ZINC000013942519 558605022 /nfs/dbraw/zinc/60/50/22/558605022.db2.gz KUHFEWIMQHYXHH-UHFFFAOYSA-N 0 0 422.937 5.763 50 0 HKAARN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccccc1Cl ZINC000013942864 560830694 /nfs/dbraw/zinc/83/06/94/560830694.db2.gz LDIBRZGNKZAVQG-UHFFFAOYSA-N 0 0 423.950 5.744 50 0 HKAARN Fc1ccc(CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)cc1 ZINC000013942885 558605162 /nfs/dbraw/zinc/60/51/62/558605162.db2.gz LNCTVUFJERGNKU-UHFFFAOYSA-N 0 0 414.509 5.654 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\Nc2ccccc2)cc1O ZINC000013942931 558605235 /nfs/dbraw/zinc/60/52/35/558605235.db2.gz LSESCZWFBBIGPL-VYIQYICTSA-N 0 0 419.868 5.280 50 0 HKAARN O=c1[nH]c(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc2sc3c(c21)CCCC3 ZINC000013943036 558605165 /nfs/dbraw/zinc/60/51/65/558605165.db2.gz VIBQYGNBBZEGIC-UHFFFAOYSA-N 0 0 422.937 5.763 50 0 HKAARN O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2cccc(F)c2)n1 ZINC000013943054 558605248 /nfs/dbraw/zinc/60/52/48/558605248.db2.gz SDOMSYJDDOAOIF-UHFFFAOYSA-N 0 0 417.259 5.562 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000013943206 558605170 /nfs/dbraw/zinc/60/51/70/558605170.db2.gz PYAGZUSDCHKRLO-SZPZYZBQSA-N 0 0 417.505 5.049 50 0 HKAARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000013943267 558605188 /nfs/dbraw/zinc/60/51/88/558605188.db2.gz VLHAVWYOZFHRAG-SORVUCRQSA-N 0 0 406.492 5.981 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3ccc(-c4nc(CCC)no4)cc3)cc2)CC1 ZINC000013943277 558605231 /nfs/dbraw/zinc/60/52/31/558605231.db2.gz NUSLNCGFKVZYJL-UHFFFAOYSA-N 0 0 416.609 8.210 50 0 HKAARN Cc1cccc(-c2nnc(-c3cccc(NC(=O)CSCc4ccccc4)c3)o2)c1 ZINC000013943545 558605434 /nfs/dbraw/zinc/60/54/34/558605434.db2.gz HSNPBXQYEQRLGI-UHFFFAOYSA-N 0 0 415.518 5.584 50 0 HKAARN Cc1ccc(C)c(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)c1 ZINC000013943649 558605426 /nfs/dbraw/zinc/60/54/26/558605426.db2.gz MKEOSRKTKHBDPG-HAVVHWLPSA-N 0 0 413.473 5.106 50 0 HKAARN Cc1ccc(NC(=O)COCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000013943750 558605347 /nfs/dbraw/zinc/60/53/47/558605347.db2.gz JVDYRUYZHXFLAQ-UHFFFAOYSA-N 0 0 424.884 5.035 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C[C@@H]1CCCO1 ZINC000013943792 558605370 /nfs/dbraw/zinc/60/53/70/558605370.db2.gz APKZQOMPEBDJIF-AFMDSPMNSA-N 0 0 408.501 5.559 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C[C@H]1CCCO1 ZINC000013943793 558605395 /nfs/dbraw/zinc/60/53/95/558605395.db2.gz APKZQOMPEBDJIF-NIYFSFCBSA-N 0 0 408.501 5.559 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C[C@@H]1CCCO1 ZINC000013943795 558605374 /nfs/dbraw/zinc/60/53/74/558605374.db2.gz APKZQOMPEBDJIF-SIBVEZHUSA-N 0 0 408.501 5.559 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)N1C[C@H]1CCCO1 ZINC000013943797 558605497 /nfs/dbraw/zinc/60/54/97/558605497.db2.gz APKZQOMPEBDJIF-BCHFMIIMSA-N 0 0 408.501 5.559 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C1CCCCC1 ZINC000013943847 558605514 /nfs/dbraw/zinc/60/55/14/558605514.db2.gz NRHZNHDHOPXBBX-HHHXNRCGSA-N 0 0 424.519 6.852 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1C1CCCCC1 ZINC000013943849 558605573 /nfs/dbraw/zinc/60/55/73/558605573.db2.gz NRHZNHDHOPXBBX-MHZLTWQESA-N 0 0 424.519 6.852 50 0 HKAARN C[C@@H]1CCc2c(sc3[nH]c(C=C(Br)c4ccccc4)nc(=O)c23)C1 ZINC000013943972 558605620 /nfs/dbraw/zinc/60/56/20/558605620.db2.gz XOJBMLCNEZMESZ-UXEDPAHQSA-N 0 0 401.329 5.002 50 0 HKAARN C[C@H]1CCc2c(sc3[nH]c(C=C(Br)c4ccccc4)nc(=O)c23)C1 ZINC000013943974 558605609 /nfs/dbraw/zinc/60/56/09/558605609.db2.gz XOJBMLCNEZMESZ-HKLRHMNMSA-N 0 0 401.329 5.002 50 0 HKAARN Cc1c([C@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc2n1C ZINC000013944007 558605624 /nfs/dbraw/zinc/60/56/24/558605624.db2.gz BMAJRQDRLPPAKW-JUYOQADGSA-N 0 0 410.561 6.001 50 0 HKAARN Cc1c([C@@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc2n1C ZINC000013944009 558605588 /nfs/dbraw/zinc/60/55/88/558605588.db2.gz BMAJRQDRLPPAKW-RAXRNYJGSA-N 0 0 410.561 6.001 50 0 HKAARN O=C(Nc1cccc(O)c1)c1ccc(C(=O)Nc2cccc(O)c2)c(-c2ccccc2)c1 ZINC000013945412 558606941 /nfs/dbraw/zinc/60/69/41/558606941.db2.gz RYOBDECJYYFTRB-UHFFFAOYSA-N 0 0 424.456 5.269 50 0 HKAARN O=C(CSCc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000013945518 558606910 /nfs/dbraw/zinc/60/69/10/558606910.db2.gz QMANQEBPRATLQY-UHFFFAOYSA-N 0 0 407.926 5.755 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC000013945520 558606948 /nfs/dbraw/zinc/60/69/48/558606948.db2.gz BODKUTXVQKEMLI-UHFFFAOYSA-N 0 0 415.276 5.512 50 0 HKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2c[nH]c3ccccc32)cc1OC ZINC000013945654 558606930 /nfs/dbraw/zinc/60/69/30/558606930.db2.gz IAFIVLDEBOQHTM-RUZDIDTESA-N 0 0 416.521 5.182 50 0 HKAARN COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2c[nH]c3ccccc32)cc1OC ZINC000013945655 558606979 /nfs/dbraw/zinc/60/69/79/558606979.db2.gz IAFIVLDEBOQHTM-VWLOTQADSA-N 0 0 416.521 5.182 50 0 HKAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000013945849 558607161 /nfs/dbraw/zinc/60/71/61/558607161.db2.gz HORYIJVUYWZKQS-UHFFFAOYSA-N 0 0 404.278 5.819 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000013946050 558607112 /nfs/dbraw/zinc/60/71/12/558607112.db2.gz SRIYPBZOYWUGQN-UHFFFAOYSA-N 0 0 422.937 6.413 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000013946051 558607192 /nfs/dbraw/zinc/60/71/92/558607192.db2.gz BTLKPKDRZCXAMG-UHFFFAOYSA-N 0 0 416.590 6.817 50 0 HKAARN Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1-c1nc2ccccc2s1 ZINC000013946054 558607106 /nfs/dbraw/zinc/60/71/06/558607106.db2.gz CLGHRBAJMDIFEO-UHFFFAOYSA-N 0 0 416.590 6.817 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013946057 558607194 /nfs/dbraw/zinc/60/71/94/558607194.db2.gz HAPNLLLATAGQKJ-UHFFFAOYSA-N 0 0 416.546 6.522 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc2ccccc21 ZINC000013946059 558607096 /nfs/dbraw/zinc/60/70/96/558607096.db2.gz PDQVHRXKMHVWEG-UHFFFAOYSA-N 0 0 410.498 6.377 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000013946063 558607158 /nfs/dbraw/zinc/60/71/58/558607158.db2.gz HDNDRYUSLRCXQY-UHFFFAOYSA-N 0 0 418.518 5.552 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000013946068 558607131 /nfs/dbraw/zinc/60/71/31/558607131.db2.gz CPMPGXDIZPVANC-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000013946072 558607102 /nfs/dbraw/zinc/60/71/02/558607102.db2.gz LUROCTNUEJDJNV-UHFFFAOYSA-N 0 0 412.276 5.554 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc(Cl)c1 ZINC000013946075 558607198 /nfs/dbraw/zinc/60/71/98/558607198.db2.gz DSWQBLZPZJKBBT-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN COc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000013946078 558607154 /nfs/dbraw/zinc/60/71/54/558607154.db2.gz WAOVBKJRSKFOTL-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1Cl ZINC000013946079 558607196 /nfs/dbraw/zinc/60/71/96/558607196.db2.gz ISJGCZWIHRHMBC-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccc(F)c1 ZINC000013946083 558607125 /nfs/dbraw/zinc/60/71/25/558607125.db2.gz AIUYLAHBAWLSCC-UHFFFAOYSA-N 0 0 415.251 6.501 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000013946087 558607186 /nfs/dbraw/zinc/60/71/86/558607186.db2.gz ANYNISZRPHUTSW-UHFFFAOYSA-N 0 0 420.896 6.498 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000013946089 558607201 /nfs/dbraw/zinc/60/72/01/558607201.db2.gz HSPDSKRRDMGBPX-UHFFFAOYSA-N 0 0 406.869 6.026 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000013946091 558607129 /nfs/dbraw/zinc/60/71/29/558607129.db2.gz YVUSGCHDEVZFBL-UHFFFAOYSA-N 0 0 413.260 5.819 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1 ZINC000013946092 558607109 /nfs/dbraw/zinc/60/71/09/558607109.db2.gz QLMLHIWPIGITRL-VZUCSPMQSA-N 0 0 423.299 6.762 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4)c3)oc2c1 ZINC000013946096 558607165 /nfs/dbraw/zinc/60/71/65/558607165.db2.gz JZYTUKCYPXNOSE-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000013946100 558607181 /nfs/dbraw/zinc/60/71/81/558607181.db2.gz RKHHJAWSKWQKGV-UHFFFAOYSA-N 0 0 420.896 6.289 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)oc2c(C)c1 ZINC000013946104 558607167 /nfs/dbraw/zinc/60/71/67/558607167.db2.gz SDCPUXXKJFRJJO-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000013946125 558607319 /nfs/dbraw/zinc/60/73/19/558607319.db2.gz IOYSNOVUDLCVHQ-UHFFFAOYSA-N 0 0 420.900 5.206 50 0 HKAARN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3c(C)cccc3C)o2)cc1Cl ZINC000013946141 558607284 /nfs/dbraw/zinc/60/72/84/558607284.db2.gz XRKQUAJGLDALQC-ZRDIBKRKSA-N 0 0 424.953 6.052 50 0 HKAARN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000013946151 558607313 /nfs/dbraw/zinc/60/73/13/558607313.db2.gz TTXDAACKTHZDQC-JQIJEIRASA-N 0 0 406.441 6.407 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000013946152 558607322 /nfs/dbraw/zinc/60/73/22/558607322.db2.gz OTGONWIPARWFAG-JQIJEIRASA-N 0 0 420.468 6.715 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(Cl)(Cl)Cl ZINC000013946163 558607321 /nfs/dbraw/zinc/60/73/21/558607321.db2.gz VJLCYMMTCDBKTN-UHFFFAOYSA-N 0 0 401.702 5.281 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000013946168 558607316 /nfs/dbraw/zinc/60/73/16/558607316.db2.gz NQXQQZMNMXWECY-UHFFFAOYSA-N 0 0 404.897 6.580 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c1 ZINC000013946172 558607305 /nfs/dbraw/zinc/60/73/05/558607305.db2.gz JHOIZGUQEZTPSM-UHFFFAOYSA-N 0 0 400.478 5.944 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000013946181 558607308 /nfs/dbraw/zinc/60/73/08/558607308.db2.gz WVHYBKOABCUBBT-UHFFFAOYSA-N 0 0 400.478 6.234 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 ZINC000013946184 558607309 /nfs/dbraw/zinc/60/73/09/558607309.db2.gz TXXULGUSOFZLND-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4C)c3)nc2c1 ZINC000013946185 558607297 /nfs/dbraw/zinc/60/72/97/558607297.db2.gz GOMCEOFJYMVZMC-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C)c(C)c4)c3)oc2c1 ZINC000013946188 558607286 /nfs/dbraw/zinc/60/72/86/558607286.db2.gz YYPKESIBMAYPNZ-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1 ZINC000013946196 558607310 /nfs/dbraw/zinc/60/73/10/558607310.db2.gz COTNLNSIUQDCEJ-UHFFFAOYSA-N 0 0 404.901 5.758 50 0 HKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(Cl)c1 ZINC000013946197 558607314 /nfs/dbraw/zinc/60/73/14/558607314.db2.gz CLRBFUPRZAYVFP-UHFFFAOYSA-N 0 0 404.901 5.758 50 0 HKAARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000013946198 558607299 /nfs/dbraw/zinc/60/72/99/558607299.db2.gz BPTZKCWNBUECPG-UHFFFAOYSA-N 0 0 400.482 5.113 50 0 HKAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013946347 558607263 /nfs/dbraw/zinc/60/72/63/558607263.db2.gz XLOIKANLGFSFMP-XNTDXEJSSA-N 0 0 415.543 5.490 50 0 HKAARN CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)c2)cs1 ZINC000013946349 558607291 /nfs/dbraw/zinc/60/72/91/558607291.db2.gz ZNCRXOCPZDUXIO-UHFFFAOYSA-N 0 0 421.453 5.420 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)sc2c1 ZINC000013948064 558985883 /nfs/dbraw/zinc/98/58/83/558985883.db2.gz NHJSUUNYRCFLAA-UHFFFAOYSA-N 0 0 408.548 5.689 50 0 HKAARN COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)cc1OC ZINC000013953289 569258259 /nfs/dbraw/zinc/25/82/59/569258259.db2.gz JINFMNIJBGLYFR-CALCHBBNSA-N 0 0 404.510 5.037 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)n2)cc1 ZINC000013953614 569258325 /nfs/dbraw/zinc/25/83/25/569258325.db2.gz GXXXENZMNKNMTI-UHFFFAOYSA-N 0 0 421.525 6.586 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000013954864 560830742 /nfs/dbraw/zinc/83/07/42/560830742.db2.gz JDJKAHJLOYGRBM-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2ccccc21 ZINC000013954923 558607464 /nfs/dbraw/zinc/60/74/64/558607464.db2.gz HYJUGYORPWRCHE-UHFFFAOYSA-N 0 0 414.917 7.022 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1Cl ZINC000013955089 558607502 /nfs/dbraw/zinc/60/75/02/558607502.db2.gz RKERZYTZDYMFSN-UHFFFAOYSA-N 0 0 405.841 5.318 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(Br)cc1 ZINC000013955110 558607459 /nfs/dbraw/zinc/60/74/59/558607459.db2.gz CHFFDAUIZOHPSI-UHFFFAOYSA-N 0 0 417.306 6.225 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 ZINC000013955155 558607466 /nfs/dbraw/zinc/60/74/66/558607466.db2.gz ZTPFBDCIPZXRNL-UHFFFAOYSA-N 0 0 403.438 5.138 50 0 HKAARN Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)s1 ZINC000013955554 558607614 /nfs/dbraw/zinc/60/76/14/558607614.db2.gz PRAHLUYLTVAACJ-UHFFFAOYSA-N 0 0 415.305 5.621 50 0 HKAARN Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000013955644 558607682 /nfs/dbraw/zinc/60/76/82/558607682.db2.gz FARURMWWZURRTM-RUZDIDTESA-N 0 0 409.489 5.050 50 0 HKAARN Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000013955646 558607643 /nfs/dbraw/zinc/60/76/43/558607643.db2.gz FARURMWWZURRTM-VWLOTQADSA-N 0 0 409.489 5.050 50 0 HKAARN CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)s1 ZINC000013956468 558607675 /nfs/dbraw/zinc/60/76/75/558607675.db2.gz NSPYAJGOCGSESK-UHFFFAOYSA-N 0 0 420.563 5.734 50 0 HKAARN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000013956539 560830879 /nfs/dbraw/zinc/83/08/79/560830879.db2.gz WEBLBJXKNMUXKQ-UHFFFAOYSA-N 0 0 400.950 5.121 50 0 HKAARN CC[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1CC)C(=O)Nc1ccccc1F ZINC000013956580 560831022 /nfs/dbraw/zinc/83/10/22/560831022.db2.gz PXCAGNRRTDYVTN-LJQANCHMSA-N 0 0 424.501 5.360 50 0 HKAARN CC[C@H](Sc1nnc(-c2cc3ccccc3o2)n1CC)C(=O)Nc1ccccc1F ZINC000013956581 560831079 /nfs/dbraw/zinc/83/10/79/560831079.db2.gz PXCAGNRRTDYVTN-IBGZPJMESA-N 0 0 424.501 5.360 50 0 HKAARN COc1ccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn32)cc1OC ZINC000013956927 558607797 /nfs/dbraw/zinc/60/77/97/558607797.db2.gz PAPFGADYYYCSGH-UHFFFAOYSA-N 0 0 414.490 5.204 50 0 HKAARN Clc1ccccc1COc1cccc(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000013956999 558607753 /nfs/dbraw/zinc/60/77/53/558607753.db2.gz FVZOVKPYFBCXDY-UHFFFAOYSA-N 0 0 419.897 5.147 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000013957468 558608019 /nfs/dbraw/zinc/60/80/19/558608019.db2.gz DHJZHFLRIHTWCD-UHFFFAOYSA-N 0 0 414.248 5.214 50 0 HKAARN Cc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)cc4)o3)NC2=S)cc1 ZINC000013958143 558608211 /nfs/dbraw/zinc/60/82/11/558608211.db2.gz DVNWKVILBQKJAB-NDENLUEZSA-N 0 0 424.909 5.083 50 0 HKAARN Cc1cc(C(F)F)nc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c21 ZINC000013959448 558608188 /nfs/dbraw/zinc/60/81/88/558608188.db2.gz FBFQQBFDEDXKIV-UHFFFAOYSA-N 0 0 412.248 5.548 50 0 HKAARN Cc1cc(C(F)(F)Cl)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c21 ZINC000013959509 558608253 /nfs/dbraw/zinc/60/82/53/558608253.db2.gz XRAVDHSCOCZJGD-UHFFFAOYSA-N 0 0 421.683 6.013 50 0 HKAARN FC(F)c1cc(C(F)F)n2nc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)cc2n1 ZINC000013959765 558608216 /nfs/dbraw/zinc/60/82/16/558608216.db2.gz ANCGWSAMGAMLDB-UHFFFAOYSA-N 0 0 421.398 5.122 50 0 HKAARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1ccc(Br)c2cccnc12 ZINC000013959810 558608258 /nfs/dbraw/zinc/60/82/58/558608258.db2.gz BGNZBROCYULZMD-YHYXMXQVSA-N 0 0 419.225 5.251 50 0 HKAARN O=C(Nc1ccc(Br)c2cccnc12)c1cc(Br)cs1 ZINC000013960357 558608372 /nfs/dbraw/zinc/60/83/72/558608372.db2.gz COMAHDFDZPXARX-UHFFFAOYSA-N 0 0 412.106 5.074 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3c(F)cccc3Cl)n2)cc1 ZINC000013960442 558608602 /nfs/dbraw/zinc/60/86/02/558608602.db2.gz CFWRAYFAZYNVFV-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2C)c1 ZINC000013960449 558608589 /nfs/dbraw/zinc/60/85/89/558608589.db2.gz BDEGSDCUCVIXMV-UHFFFAOYSA-N 0 0 402.469 5.730 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc(OC)c3)n2)cc1 ZINC000013960454 558608539 /nfs/dbraw/zinc/60/85/39/558608539.db2.gz CLGDHAOBRKRJLQ-UHFFFAOYSA-N 0 0 400.478 5.291 50 0 HKAARN Cc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960455 558608574 /nfs/dbraw/zinc/60/85/74/558608574.db2.gz TYBJLZQCPKAVGK-UHFFFAOYSA-N 0 0 400.953 7.152 50 0 HKAARN COc1ccc(-c2nn(Cc3ccc(C)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013960473 558608618 /nfs/dbraw/zinc/60/86/18/558608618.db2.gz QSCJQGUYEVZRFL-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960476 558608565 /nfs/dbraw/zinc/60/85/65/558608565.db2.gz FBUCCTDLEOUPOU-UHFFFAOYSA-N 0 0 407.344 7.189 50 0 HKAARN COc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000013960479 558608615 /nfs/dbraw/zinc/60/86/15/558608615.db2.gz ZFHFICUMRFXBDQ-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013960481 558608608 /nfs/dbraw/zinc/60/86/08/558608608.db2.gz JEEGIDMZTFEXFB-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(Cc2c(F)cccc2Cl)c1-c1cccc(C)c1 ZINC000013960482 558608597 /nfs/dbraw/zinc/60/85/97/558608597.db2.gz HKYWMYQJTBVHBR-UHFFFAOYSA-N 0 0 404.916 6.983 50 0 HKAARN COc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013960491 558608572 /nfs/dbraw/zinc/60/85/72/558608572.db2.gz UVTMPBCRCHAPIT-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN COc1cccc(-c2nn(Cc3ccccc3C)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000013960494 558608624 /nfs/dbraw/zinc/60/86/24/558608624.db2.gz FGVGFEGCXMQBTQ-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN COc1cccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)c1 ZINC000013960497 558608591 /nfs/dbraw/zinc/60/85/91/558608591.db2.gz LFFDOZVABINRQC-UHFFFAOYSA-N 0 0 414.505 5.600 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000013960503 558608562 /nfs/dbraw/zinc/60/85/62/558608562.db2.gz UBPHCLNQEBPIBZ-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1 ZINC000013960513 558608544 /nfs/dbraw/zinc/60/85/44/558608544.db2.gz YPXGNPKPJTUPLN-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN COc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013960514 558608552 /nfs/dbraw/zinc/60/85/52/558608552.db2.gz WPDUTGADHBUFAH-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(Cc2c(F)cccc2Cl)c1-c1ccc(C)cc1 ZINC000013960520 558608581 /nfs/dbraw/zinc/60/85/81/558608581.db2.gz FRSVVFPLRNZSES-UHFFFAOYSA-N 0 0 404.916 6.983 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 ZINC000013960523 558608586 /nfs/dbraw/zinc/60/85/86/558608586.db2.gz WCYCKIKZFDQDSA-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000013960576 558608583 /nfs/dbraw/zinc/60/85/83/558608583.db2.gz AKCPYLLROXDWOI-UHFFFAOYSA-N 0 0 417.350 6.645 50 0 HKAARN Cc1c([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(-c3ccccc3)cs2)cnn1C ZINC000013960598 558608621 /nfs/dbraw/zinc/60/86/21/558608621.db2.gz KUKJZBDXPOIPEO-HSZRJFAPSA-N 0 0 413.550 5.516 50 0 HKAARN Cc1c([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(-c3ccccc3)cs2)cnn1C ZINC000013960599 558608605 /nfs/dbraw/zinc/60/86/05/558608605.db2.gz KUKJZBDXPOIPEO-QHCPKHFHSA-N 0 0 413.550 5.516 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(F)cc3Cl)n2)cc1C ZINC000013960624 558608577 /nfs/dbraw/zinc/60/85/77/558608577.db2.gz ZWHWLIIBVQGPMJ-UHFFFAOYSA-N 0 0 418.943 7.292 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C)cc1 ZINC000013960625 558608559 /nfs/dbraw/zinc/60/85/59/558608559.db2.gz MJJVEPHVOOXJSZ-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3c(F)cccc3Cl)n2)cc1C ZINC000013960638 558608611 /nfs/dbraw/zinc/60/86/11/558608611.db2.gz YMDGVYUPZZELMV-UHFFFAOYSA-N 0 0 418.943 7.292 50 0 HKAARN C=Cc1ccc(Cn2nc(-c3ccc(OC)cc3)c(CC)c2-c2ccc(OC)cc2)cc1 ZINC000013960640 558608594 /nfs/dbraw/zinc/60/85/94/558608594.db2.gz XXFWODPXSDLHMX-UHFFFAOYSA-N 0 0 424.544 6.488 50 0 HKAARN CCc1ccccc1-n1nc(-c2ccc(OC)cc2)c(Cl)c1-c1ccc(OC)cc1 ZINC000013960683 558608556 /nfs/dbraw/zinc/60/85/56/558608556.db2.gz SZWHSEWYGDEMRD-UHFFFAOYSA-N 0 0 418.924 6.439 50 0 HKAARN Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000013960693 558608579 /nfs/dbraw/zinc/60/85/79/558608579.db2.gz AIBLHCOFWDJVAC-UHFFFAOYSA-N 0 0 414.980 7.461 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccc(C)c1 ZINC000013960723 558608627 /nfs/dbraw/zinc/60/86/27/558608627.db2.gz DBOMLJXIOAIWFC-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(C)cc2)c1-c1cccc(OC)c1 ZINC000013960727 558608569 /nfs/dbraw/zinc/60/85/69/558608569.db2.gz CEDGFQCWXZAATI-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000013960747 558608547 /nfs/dbraw/zinc/60/85/47/558608547.db2.gz SYPFUJGXFLICKU-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3nc(C)c(Cl)c3C)n2)cc1 ZINC000013960763 558608738 /nfs/dbraw/zinc/60/87/38/558608738.db2.gz SCUNLRCXLHDKEG-UHFFFAOYSA-N 0 0 422.916 5.207 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000013960773 558608758 /nfs/dbraw/zinc/60/87/58/558608758.db2.gz LGTGDTQZHFZCIJ-UHFFFAOYSA-N 0 0 415.270 6.850 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000013960785 558608763 /nfs/dbraw/zinc/60/87/63/558608763.db2.gz OZFAYQZYSBZFOI-UHFFFAOYSA-N 0 0 421.371 7.747 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000013960809 558608773 /nfs/dbraw/zinc/60/87/73/558608773.db2.gz XHOFIFIOJABARE-UHFFFAOYSA-N 0 0 421.371 7.747 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(C)cc1 ZINC000013960825 558608765 /nfs/dbraw/zinc/60/87/65/558608765.db2.gz HIHHEMFGAJIFKP-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000013960877 558608743 /nfs/dbraw/zinc/60/87/43/558608743.db2.gz ODILQXBQNPJGCI-UHFFFAOYSA-N 0 0 411.471 6.216 50 0 HKAARN COc1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)ccc1OC(F)F ZINC000013961016 558608802 /nfs/dbraw/zinc/60/88/02/558608802.db2.gz VXWUJBJTSNGMKG-UHFFFAOYSA-N 0 0 413.346 5.142 50 0 HKAARN Cc1cccc(-n2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 ZINC000013961044 558608817 /nfs/dbraw/zinc/60/88/17/558608817.db2.gz ICQGXSZCNFWECA-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN COC(=O)c1ccc(OC)c(CN(C(=S)Nc2ccccc2)C2CCCCC2)c1 ZINC000013961067 558608940 /nfs/dbraw/zinc/60/89/40/558608940.db2.gz ZCMGRUWDJWXXAZ-UHFFFAOYSA-N 0 0 412.555 5.014 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(OC(F)F)c(OC)c1)cc2C(F)(F)F ZINC000013961076 558608978 /nfs/dbraw/zinc/60/89/78/558608978.db2.gz VOKGZNRYLCILED-UHFFFAOYSA-N 0 0 401.335 5.055 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000013961103 558608982 /nfs/dbraw/zinc/60/89/82/558608982.db2.gz PHOJWOQOAAQFFX-UHFFFAOYSA-N 0 0 404.420 5.137 50 0 HKAARN CCCCn1nc(C)c2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000013961149 558608936 /nfs/dbraw/zinc/60/89/36/558608936.db2.gz UJIZYMVWJXEPLF-UHFFFAOYSA-N 0 0 412.253 5.988 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3F)c12 ZINC000013961155 558608986 /nfs/dbraw/zinc/60/89/86/558608986.db2.gz MWDQECQPVMUHPL-UHFFFAOYSA-N 0 0 400.457 5.306 50 0 HKAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(Br)cc1F ZINC000013961175 558608952 /nfs/dbraw/zinc/60/89/52/558608952.db2.gz ZXVMITDLONTSPU-UHFFFAOYSA-N 0 0 419.298 5.002 50 0 HKAARN O=C(Nc1ccc(Cl)cn1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000013961212 558608943 /nfs/dbraw/zinc/60/89/43/558608943.db2.gz YJQCTCJGCIGONB-UHFFFAOYSA-N 0 0 422.819 5.407 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000013961213 558608967 /nfs/dbraw/zinc/60/89/67/558608967.db2.gz CRKURCOWONAIGX-UHFFFAOYSA-N 0 0 420.875 5.651 50 0 HKAARN CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC000013961242 558608927 /nfs/dbraw/zinc/60/89/27/558608927.db2.gz FTBIMFNSMHXYJS-UHFFFAOYSA-N 0 0 414.449 5.094 50 0 HKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3c3ccccc3)c12 ZINC000013961336 558609107 /nfs/dbraw/zinc/60/91/07/558609107.db2.gz GWBODEXRNRKOHS-JOCHJYFZSA-N 0 0 402.542 5.565 50 0 HKAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N3CCCC[C@H]3c3ccccc3)c12 ZINC000013961337 558609175 /nfs/dbraw/zinc/60/91/75/558609175.db2.gz GWBODEXRNRKOHS-QFIPXVFZSA-N 0 0 402.542 5.565 50 0 HKAARN COc1ccc2[nH]cc(CCNC(=O)c3sc4cc(Cl)ccc4c3Cl)c2c1 ZINC000013961358 558609097 /nfs/dbraw/zinc/60/90/97/558609097.db2.gz RGDISJDPLVOJHD-UHFFFAOYSA-N 0 0 419.333 5.671 50 0 HKAARN Cc1ccc2[nH]cc(CCNC(=O)c3sc4cc(Cl)ccc4c3Cl)c2c1 ZINC000013961367 558609123 /nfs/dbraw/zinc/60/91/23/558609123.db2.gz OJSJNUHFURLUKN-UHFFFAOYSA-N 0 0 403.334 5.970 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000013961372 558609088 /nfs/dbraw/zinc/60/90/88/558609088.db2.gz GPAGXPRATHKPIZ-YVXFQLMNSA-N 0 0 408.590 5.354 50 0 HKAARN CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000013961373 558609141 /nfs/dbraw/zinc/60/91/41/558609141.db2.gz GPAGXPRATHKPIZ-SKLOBRBISA-N 0 0 408.590 5.354 50 0 HKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000013961427 558609132 /nfs/dbraw/zinc/60/91/32/558609132.db2.gz SEQDEUJMLFZWKN-KRWDZBQOSA-N 0 0 404.558 5.525 50 0 HKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000013961428 558609155 /nfs/dbraw/zinc/60/91/55/558609155.db2.gz SEQDEUJMLFZWKN-QGZVFWFLSA-N 0 0 404.558 5.525 50 0 HKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000013961436 558832564 /nfs/dbraw/zinc/83/25/64/558832564.db2.gz QUFTYCFDZKYWFS-UHFFFAOYSA-N 0 0 400.885 5.462 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@@H]3c1ccccc1C ZINC000013961569 558609372 /nfs/dbraw/zinc/60/93/72/558609372.db2.gz WEPBVKSWRMOKOA-RUZDIDTESA-N 0 0 417.553 5.475 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@H]3c1ccccc1C ZINC000013961570 558609344 /nfs/dbraw/zinc/60/93/44/558609344.db2.gz WEPBVKSWRMOKOA-VWLOTQADSA-N 0 0 417.553 5.475 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@@H]3c1ccccc1 ZINC000013961579 558609369 /nfs/dbraw/zinc/60/93/69/558609369.db2.gz QAFIBULKQKIMQE-XMMPIXPASA-N 0 0 403.526 5.166 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCCC1)[C@H]3c1ccccc1 ZINC000013961580 558609304 /nfs/dbraw/zinc/60/93/04/558609304.db2.gz QAFIBULKQKIMQE-DEOSSOPVSA-N 0 0 403.526 5.166 50 0 HKAARN CCCCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccccc2Cl)o1 ZINC000013961827 569258307 /nfs/dbraw/zinc/25/83/07/569258307.db2.gz ZHLFINGBJOZKBH-UHFFFAOYSA-N 0 0 422.916 5.004 50 0 HKAARN CCCCN1c2ccc(NC(=O)Cc3ccc(OC)c(C)c3)c3cccc(c23)C1=O ZINC000013971995 569258456 /nfs/dbraw/zinc/25/84/56/569258456.db2.gz QNGFNAXSAKFUQN-UHFFFAOYSA-N 0 0 402.494 5.098 50 0 HKAARN O=C(Cc1ccc2ccccc2c1)Nc1sccc1-c1nc2ccccc2s1 ZINC000013973172 569258363 /nfs/dbraw/zinc/25/83/63/569258363.db2.gz DEXULWAIOQULFA-UHFFFAOYSA-N 0 0 400.528 6.359 50 0 HKAARN CC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1ccccc1 ZINC000013986762 559112471 /nfs/dbraw/zinc/11/24/71/559112471.db2.gz OLXLQLBKMMZYJA-UHFFFAOYSA-N 0 0 419.531 5.317 50 0 HKAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc12 ZINC000013987659 558610841 /nfs/dbraw/zinc/61/08/41/558610841.db2.gz KPYBKBBNZGAWDN-UHFFFAOYSA-N 0 0 411.527 5.356 50 0 HKAARN CC[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](CC)c2ccccc2)n1)c1ccccc1 ZINC000013987876 559130441 /nfs/dbraw/zinc/13/04/41/559130441.db2.gz KTMAVPUAZXTGAJ-OYRHEFFESA-N 0 0 401.510 5.346 50 0 HKAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000013987975 558610814 /nfs/dbraw/zinc/61/08/14/558610814.db2.gz DQANOALZNZNFCP-FYYLOGMGSA-N 0 0 423.944 5.204 50 0 HKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C ZINC000013988016 558610763 /nfs/dbraw/zinc/61/07/63/558610763.db2.gz YEXOHQBCSPSBEB-CYBMUJFWSA-N 0 0 421.012 6.297 50 0 HKAARN Cc1ccc(C(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C ZINC000013988018 558610844 /nfs/dbraw/zinc/61/08/44/558610844.db2.gz YEXOHQBCSPSBEB-ZDUSSCGKSA-N 0 0 421.012 6.297 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000013988154 559130547 /nfs/dbraw/zinc/13/05/47/559130547.db2.gz GVNDBJJNDFYBTO-UHFFFAOYSA-N 0 0 420.512 5.767 50 0 HKAARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000013990797 569258441 /nfs/dbraw/zinc/25/84/41/569258441.db2.gz AEXNKAHIWOCMTR-UHFFFAOYSA-N 0 0 420.512 5.578 50 0 HKAARN CCc1cc(-c2nnc(SCc3c(Cl)cccc3Cl)n2C(C)C)cs1 ZINC000014002115 558612356 /nfs/dbraw/zinc/61/23/56/558612356.db2.gz DWRUUMMSYHGHAW-UHFFFAOYSA-N 0 0 412.411 6.749 50 0 HKAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000014005747 558612626 /nfs/dbraw/zinc/61/26/26/558612626.db2.gz AIYWXAHQGLLOEB-UHFFFAOYSA-N 0 0 424.884 5.009 50 0 HKAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000014007367 559141948 /nfs/dbraw/zinc/14/19/48/559141948.db2.gz UZSMXJPFPIHMDY-OKILXGFUSA-N 0 0 421.328 5.152 50 0 HKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl ZINC000014008906 558612928 /nfs/dbraw/zinc/61/29/28/558612928.db2.gz YKWKHOJSODBUEK-UHFFFAOYSA-N 0 0 414.701 5.330 50 0 HKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000014008912 558612833 /nfs/dbraw/zinc/61/28/33/558612833.db2.gz ZYQMNERZCVVBLY-UHFFFAOYSA-N 0 0 414.701 5.330 50 0 HKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl ZINC000014008920 558612856 /nfs/dbraw/zinc/61/28/56/558612856.db2.gz AKHXKQXYNKUPJR-UHFFFAOYSA-N 0 0 414.701 5.330 50 0 HKAARN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000014009090 558612894 /nfs/dbraw/zinc/61/28/94/558612894.db2.gz WFYWDFDHGRSVHO-JCMHNJIXSA-N 0 0 417.486 5.515 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000014009096 558612831 /nfs/dbraw/zinc/61/28/31/558612831.db2.gz UUWGAXRWSUALGK-WJDWOHSUSA-N 0 0 404.285 5.089 50 0 HKAARN CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000014009111 558612888 /nfs/dbraw/zinc/61/28/88/558612888.db2.gz IHNSQYQKKGICTP-WJDWOHSUSA-N 0 0 404.285 5.089 50 0 HKAARN CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000014009703 558613113 /nfs/dbraw/zinc/61/31/13/558613113.db2.gz DFPKIEULHFAKFB-OVCLIPMQSA-N 0 0 411.672 5.143 50 0 HKAARN Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000014009736 558613067 /nfs/dbraw/zinc/61/30/67/558613067.db2.gz NTPPLLJLGQRUSI-YBFXNURJSA-N 0 0 410.832 5.140 50 0 HKAARN Cc1ccc(COc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000014009788 558613080 /nfs/dbraw/zinc/61/30/80/558613080.db2.gz VXEJAFSALRQDEH-LPYMAVHISA-N 0 0 418.880 5.325 50 0 HKAARN O=c1/c(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2nc3ccccc3n12 ZINC000014011248 558613584 /nfs/dbraw/zinc/61/35/84/558613584.db2.gz HRVFMNCQPQZHHR-LICLKQGHSA-N 0 0 413.285 5.024 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cc4ccccc4[nH]3)n2)cc1 ZINC000014014998 558613698 /nfs/dbraw/zinc/61/36/98/558613698.db2.gz KMRKVWOCFXBSSO-CQSZACIVSA-N 0 0 419.506 5.038 50 0 HKAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cc4ccccc4[nH]3)n2)cc1 ZINC000014015001 558613609 /nfs/dbraw/zinc/61/36/09/558613609.db2.gz KMRKVWOCFXBSSO-AWEZNQCLSA-N 0 0 419.506 5.038 50 0 HKAARN O=C(Cc1cccs1)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000014015014 559142619 /nfs/dbraw/zinc/14/26/19/559142619.db2.gz IDMJVSVKKGGLKG-UHFFFAOYSA-N 0 0 419.531 5.305 50 0 HKAARN CC(=O)Nc1nc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cs1 ZINC000014015922 559142636 /nfs/dbraw/zinc/14/26/36/559142636.db2.gz ICGGPHGABBPCJE-UHFFFAOYSA-N 0 0 410.499 5.143 50 0 HKAARN COc1ccccc1CC(=O)N(c1nc2ccccc2s1)c1cccc(C)c1C ZINC000014017083 558613670 /nfs/dbraw/zinc/61/36/70/558613670.db2.gz YKRVKOCSBYFSGC-UHFFFAOYSA-N 0 0 402.519 5.829 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=N2 ZINC000014017537 558613730 /nfs/dbraw/zinc/61/37/30/558613730.db2.gz GFJKYTOTUNFCFO-VWLOTQADSA-N 0 0 422.507 5.966 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=N2 ZINC000014017540 558613737 /nfs/dbraw/zinc/61/37/37/558613737.db2.gz GFJKYTOTUNFCFO-RUZDIDTESA-N 0 0 422.507 5.966 50 0 HKAARN CC(C)OC(=O)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl ZINC000014018533 558613939 /nfs/dbraw/zinc/61/39/39/558613939.db2.gz MEMAOHCPSAHGOL-QGZVFWFLSA-N 0 0 413.823 5.172 50 0 HKAARN CC(C)OC(=O)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl ZINC000014018536 558613894 /nfs/dbraw/zinc/61/38/94/558613894.db2.gz MEMAOHCPSAHGOL-KRWDZBQOSA-N 0 0 413.823 5.172 50 0 HKAARN Cc1cc(-c2cc(C(=O)N3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014018895 558613913 /nfs/dbraw/zinc/61/39/13/558613913.db2.gz ODXISCCNJCDKGU-UHFFFAOYSA-N 0 0 416.550 5.560 50 0 HKAARN C[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 ZINC000014020386 558614095 /nfs/dbraw/zinc/61/40/95/558614095.db2.gz INPWYFMLOCSRJS-AWEZNQCLSA-N 0 0 416.399 5.683 50 0 HKAARN C[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 ZINC000014020390 558614035 /nfs/dbraw/zinc/61/40/35/558614035.db2.gz INPWYFMLOCSRJS-CQSZACIVSA-N 0 0 416.399 5.683 50 0 HKAARN Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 ZINC000014020397 558614169 /nfs/dbraw/zinc/61/41/69/558614169.db2.gz GUAQNWOOSJKDTM-UHFFFAOYSA-N 0 0 402.372 5.040 50 0 HKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000014021809 558614055 /nfs/dbraw/zinc/61/40/55/558614055.db2.gz HIOMDTBBIYVHHH-LJQANCHMSA-N 0 0 409.580 5.425 50 0 HKAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000014021812 558614174 /nfs/dbraw/zinc/61/41/74/558614174.db2.gz HIOMDTBBIYVHHH-IBGZPJMESA-N 0 0 409.580 5.425 50 0 HKAARN Cc1cc(-c2cc(C(=O)NOCc3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014023647 558614548 /nfs/dbraw/zinc/61/45/48/558614548.db2.gz QCBCIVDJUJZSKQ-UHFFFAOYSA-N 0 0 420.538 5.219 50 0 HKAARN CCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000014042436 558615337 /nfs/dbraw/zinc/61/53/37/558615337.db2.gz HUMSMJMIWVRXOV-UHFFFAOYSA-N 0 0 419.521 5.966 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014048943 569258494 /nfs/dbraw/zinc/25/84/94/569258494.db2.gz IETWVPYPNIMXKG-UHFFFAOYSA-N 0 0 411.433 5.315 50 0 HKAARN COc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 ZINC000014052638 569258481 /nfs/dbraw/zinc/25/84/81/569258481.db2.gz WDCCTGVILCFSGF-UHFFFAOYSA-N 0 0 402.450 5.285 50 0 HKAARN CCCn1c(SCc2cccc(Cl)c2)nnc1-c1csc2c1CCCC2 ZINC000014053367 558615664 /nfs/dbraw/zinc/61/56/64/558615664.db2.gz TUMLUUJGALPPCS-UHFFFAOYSA-N 0 0 404.004 6.241 50 0 HKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000014054716 558615691 /nfs/dbraw/zinc/61/56/91/558615691.db2.gz OSGVXSVJXCEETK-ZDUSSCGKSA-N 0 0 404.004 6.097 50 0 HKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000014054719 558615752 /nfs/dbraw/zinc/61/57/52/558615752.db2.gz OSGVXSVJXCEETK-CYBMUJFWSA-N 0 0 404.004 6.097 50 0 HKAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000014054780 558615756 /nfs/dbraw/zinc/61/57/56/558615756.db2.gz SXSXOQXYPHSJID-ZDUSSCGKSA-N 0 0 404.004 6.097 50 0 HKAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000014054782 558615715 /nfs/dbraw/zinc/61/57/15/558615715.db2.gz SXSXOQXYPHSJID-CYBMUJFWSA-N 0 0 404.004 6.097 50 0 HKAARN CC(C)n1c(SCc2cccc(Cl)c2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000014057016 558615855 /nfs/dbraw/zinc/61/58/55/558615855.db2.gz HYXQTPKBNXPAFL-CQSZACIVSA-N 0 0 418.031 6.658 50 0 HKAARN CC(C)n1c(SCc2cccc(Cl)c2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000014057019 558615843 /nfs/dbraw/zinc/61/58/43/558615843.db2.gz HYXQTPKBNXPAFL-AWEZNQCLSA-N 0 0 418.031 6.658 50 0 HKAARN Cc1ccccc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000014061021 558616031 /nfs/dbraw/zinc/61/60/31/558616031.db2.gz GFQHLHSONKGGRI-HXUWFJFHSA-N 0 0 410.517 6.127 50 0 HKAARN Cc1ccccc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000014061024 558616073 /nfs/dbraw/zinc/61/60/73/558616073.db2.gz GFQHLHSONKGGRI-FQEVSTJZSA-N 0 0 410.517 6.127 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 ZINC000014061775 569258506 /nfs/dbraw/zinc/25/85/06/569258506.db2.gz SBZPZFBJZIOUNQ-UHFFFAOYSA-N 0 0 402.450 5.285 50 0 HKAARN CSc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 ZINC000014061838 559147490 /nfs/dbraw/zinc/14/74/90/559147490.db2.gz KCXLZQRMZTXVRM-UHFFFAOYSA-N 0 0 418.518 5.998 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1Cl ZINC000014065945 558616682 /nfs/dbraw/zinc/61/66/82/558616682.db2.gz JOSWZPDUFHUKOT-UHFFFAOYSA-N 0 0 411.914 5.525 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000014066133 558616635 /nfs/dbraw/zinc/61/66/35/558616635.db2.gz CDGKRCBGAHSTJP-UHFFFAOYSA-N 0 0 416.569 5.441 50 0 HKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1F ZINC000014066158 558616588 /nfs/dbraw/zinc/61/65/88/558616588.db2.gz FGTLQBVPZDYTSG-UHFFFAOYSA-N 0 0 422.681 5.774 50 0 HKAARN COc1ccc(CN(Cc2csc(N(C(C)=O)c3ccccc3)n2)C2CC2)cc1 ZINC000014066628 558616673 /nfs/dbraw/zinc/61/66/73/558616673.db2.gz BDJHAAUQEORVAI-UHFFFAOYSA-N 0 0 407.539 5.001 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)nc3c1cnn3C(C)C)O[C@H](C)C2 ZINC000014067235 558616805 /nfs/dbraw/zinc/61/68/05/558616805.db2.gz ZLCDOYYRPJEDAB-OAHLLOKOSA-N 0 0 422.529 5.110 50 0 HKAARN CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)nc3c1cnn3C(C)C)O[C@@H](C)C2 ZINC000014067238 558616819 /nfs/dbraw/zinc/61/68/19/558616819.db2.gz ZLCDOYYRPJEDAB-HNNXBMFYSA-N 0 0 422.529 5.110 50 0 HKAARN COc1ccc(CN(Cc2cccs2)C(=O)c2oc3ccccc3c2C)cc1OC ZINC000014068548 558616970 /nfs/dbraw/zinc/61/69/70/558616970.db2.gz DZZJFBJCERVOTQ-UHFFFAOYSA-N 0 0 421.518 5.663 50 0 HKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1ccc(SC)cc1 ZINC000014068626 559148589 /nfs/dbraw/zinc/14/85/89/559148589.db2.gz QXAOFBSNKCKPNI-UHFFFAOYSA-N 0 0 416.550 5.112 50 0 HKAARN COc1cccc(-c2nc(CSc3n[nH]c(-c4ccc(C)cc4)n3)cs2)c1OC ZINC000014069451 558617257 /nfs/dbraw/zinc/61/72/57/558617257.db2.gz FCHNTWUGNNNRHP-UHFFFAOYSA-N 0 0 424.551 5.213 50 0 HKAARN Cc1cc(NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)no1 ZINC000014070024 558617469 /nfs/dbraw/zinc/61/74/69/558617469.db2.gz COVNNTUXKWIQCY-UHFFFAOYSA-N 0 0 421.309 5.310 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1N1CCCC1 ZINC000014070355 558617506 /nfs/dbraw/zinc/61/75/06/558617506.db2.gz UFZSPUUFOQFYGP-UHFFFAOYSA-N 0 0 400.507 5.211 50 0 HKAARN O=C(COC(=O)CSc1cccc2cccc(Cl)c21)NCCC1=CCCCC1 ZINC000014070361 559148701 /nfs/dbraw/zinc/14/87/01/559148701.db2.gz GTVVNDGDMOBBKD-UHFFFAOYSA-N 0 0 417.958 5.135 50 0 HKAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000014070513 558617500 /nfs/dbraw/zinc/61/75/00/558617500.db2.gz KDMZBUQRPWQUGO-UHFFFAOYSA-N 0 0 420.563 5.167 50 0 HKAARN Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000014070581 559148714 /nfs/dbraw/zinc/14/87/14/559148714.db2.gz SWEHUIACDQQJLA-UHFFFAOYSA-N 0 0 421.566 5.764 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnc(Cl)c(Cl)c1 ZINC000014071174 559148856 /nfs/dbraw/zinc/14/88/56/559148856.db2.gz ZUABILIOHAPQKM-UHFFFAOYSA-N 0 0 404.219 5.260 50 0 HKAARN CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000014071304 558617677 /nfs/dbraw/zinc/61/76/77/558617677.db2.gz KWLUHYXJYFOPSH-UHFFFAOYSA-N 0 0 415.537 5.150 50 0 HKAARN Cc1cc(C)cc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000014071408 559148937 /nfs/dbraw/zinc/14/89/37/559148937.db2.gz UGGCNDWQTUPXHB-HXUWFJFHSA-N 0 0 407.539 5.199 50 0 HKAARN Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000014071410 559148910 /nfs/dbraw/zinc/14/89/10/559148910.db2.gz UGGCNDWQTUPXHB-FQEVSTJZSA-N 0 0 407.539 5.199 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014075072 558617609 /nfs/dbraw/zinc/61/76/09/558617609.db2.gz NOJXXEHBTYISOI-UHFFFAOYSA-N 0 0 405.807 5.674 50 0 HKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000014075266 558617882 /nfs/dbraw/zinc/61/78/82/558617882.db2.gz ZCUVBVFHCDXOGB-UHFFFAOYSA-N 0 0 407.819 5.820 50 0 HKAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000014075352 558617878 /nfs/dbraw/zinc/61/78/78/558617878.db2.gz RGKPPMNESKVUOZ-UHFFFAOYSA-N 0 0 408.504 5.026 50 0 HKAARN C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075430 559148491 /nfs/dbraw/zinc/14/84/91/559148491.db2.gz RAHRZHHUSUJOLR-FUHWJXTLSA-N 0 0 419.550 5.099 50 0 HKAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCC(C(C)(C)C)CC3)n2)cc1 ZINC000014075497 559148921 /nfs/dbraw/zinc/14/89/21/559148921.db2.gz CZIPUJYVJAVKMU-UHFFFAOYSA-N 0 0 413.587 5.237 50 0 HKAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc2ccccc21 ZINC000014075522 558617905 /nfs/dbraw/zinc/61/79/05/558617905.db2.gz UYENRSQNRACVFC-MRXNPFEDSA-N 0 0 400.503 5.645 50 0 HKAARN C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc2ccccc21 ZINC000014075524 558617914 /nfs/dbraw/zinc/61/79/14/558617914.db2.gz UYENRSQNRACVFC-INIZCTEOSA-N 0 0 400.503 5.645 50 0 HKAARN Cc1nc(Sc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)n[nH]1 ZINC000014075723 558617886 /nfs/dbraw/zinc/61/78/86/558617886.db2.gz OZYNMVWXBZZBJO-UHFFFAOYSA-N 0 0 411.581 5.050 50 0 HKAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000014076670 558618118 /nfs/dbraw/zinc/61/81/18/558618118.db2.gz FHOQIGZZZJLTLW-UHFFFAOYSA-N 0 0 418.493 5.531 50 0 HKAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000014076783 559149291 /nfs/dbraw/zinc/14/92/91/559149291.db2.gz GLFTYTREWJPQGU-SSDOTTSWSA-N 0 0 413.223 5.666 50 0 HKAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000014076785 559149250 /nfs/dbraw/zinc/14/92/50/559149250.db2.gz GLFTYTREWJPQGU-ZETCQYMHSA-N 0 0 413.223 5.666 50 0 HKAARN COc1ccc(OCCSc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000014077538 558618127 /nfs/dbraw/zinc/61/81/27/558618127.db2.gz LHGKGJRBUORPHM-UHFFFAOYSA-N 0 0 405.317 5.019 50 0 HKAARN COc1ccc2c(c1)oc(C(=O)Nc1ccccc1-c1ccccc1)c2-c1ccccc1 ZINC000014077559 558618040 /nfs/dbraw/zinc/61/80/40/558618040.db2.gz XNORROFCUZYERR-UHFFFAOYSA-N 0 0 419.480 7.028 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccsc3)c2)cs1 ZINC000014082935 559149329 /nfs/dbraw/zinc/14/93/29/559149329.db2.gz HMGLOEJQPHCQDJ-UHFFFAOYSA-N 0 0 422.600 6.725 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000014083215 559149358 /nfs/dbraw/zinc/14/93/58/559149358.db2.gz LPLNGGADWGPUIU-UHFFFAOYSA-N 0 0 423.582 6.108 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)cs1 ZINC000014083677 558618411 /nfs/dbraw/zinc/61/84/11/558618411.db2.gz SKNZPGXEUACISV-UHFFFAOYSA-N 0 0 422.600 6.725 50 0 HKAARN Cc1cc(Cl)c(OCCOc2c(C)ccc3cccnc32)c(Br)c1 ZINC000014084002 559149370 /nfs/dbraw/zinc/14/93/70/559149370.db2.gz UBVRIVTXBDGNHZ-UHFFFAOYSA-N 0 0 406.707 5.725 50 0 HKAARN COc1cc(CC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)ccc1C ZINC000014084788 558618771 /nfs/dbraw/zinc/61/87/71/558618771.db2.gz OMRGGUMUQQBYNY-UHFFFAOYSA-N 0 0 421.349 5.539 50 0 HKAARN CN(c1ccccc1)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000014086672 558618872 /nfs/dbraw/zinc/61/88/72/558618872.db2.gz QJVFRKAZMWTRRA-WIOPSUGQSA-N 0 0 413.521 5.200 50 0 HKAARN CN(c1ccccc1)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000014086675 558618875 /nfs/dbraw/zinc/61/88/75/558618875.db2.gz QJVFRKAZMWTRRA-DHLKQENFSA-N 0 0 413.521 5.200 50 0 HKAARN CN(c1ccccc1)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000014086677 558618953 /nfs/dbraw/zinc/61/89/53/558618953.db2.gz QJVFRKAZMWTRRA-RCZVLFRGSA-N 0 0 413.521 5.200 50 0 HKAARN CN(c1ccccc1)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000014086679 558618853 /nfs/dbraw/zinc/61/88/53/558618853.db2.gz QJVFRKAZMWTRRA-RDGATRHJSA-N 0 0 413.521 5.200 50 0 HKAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000014091673 558619183 /nfs/dbraw/zinc/61/91/83/558619183.db2.gz AZHCDHIUMDKCKU-UHFFFAOYSA-N 0 0 408.354 5.497 50 0 HKAARN CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000014091972 558619138 /nfs/dbraw/zinc/61/91/38/558619138.db2.gz KDNMAGNRGTXERB-UHFFFAOYSA-N 0 0 412.773 6.141 50 0 HKAARN Cc1nc2cc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)ccc2n1-c1ccccc1 ZINC000014092789 558619090 /nfs/dbraw/zinc/61/90/90/558619090.db2.gz CCTCCHSWYFDTHR-CQSZACIVSA-N 0 0 420.415 5.040 50 0 HKAARN Cc1nc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)c(F)c3)ccc2n1-c1ccccc1 ZINC000014092790 558619179 /nfs/dbraw/zinc/61/91/79/558619179.db2.gz CCTCCHSWYFDTHR-AWEZNQCLSA-N 0 0 420.415 5.040 50 0 HKAARN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000014092794 559150336 /nfs/dbraw/zinc/15/03/36/559150336.db2.gz MCMXMZXVJYGWQY-IAGOWNOFSA-N 0 0 407.441 5.041 50 0 HKAARN C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000014092795 559150380 /nfs/dbraw/zinc/15/03/80/559150380.db2.gz MCMXMZXVJYGWQY-DLBZAZTESA-N 0 0 407.441 5.041 50 0 HKAARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000014092796 559150374 /nfs/dbraw/zinc/15/03/74/559150374.db2.gz MCMXMZXVJYGWQY-SJORKVTESA-N 0 0 407.441 5.041 50 0 HKAARN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000014092797 559150347 /nfs/dbraw/zinc/15/03/47/559150347.db2.gz MCMXMZXVJYGWQY-IRXDYDNUSA-N 0 0 407.441 5.041 50 0 HKAARN Cc1ccc([C@@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 ZINC000014092882 559150470 /nfs/dbraw/zinc/15/04/70/559150470.db2.gz WNRZHSXBXMWQLP-DEOSSOPVSA-N 0 0 410.473 5.360 50 0 HKAARN Cc1ccc([C@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 ZINC000014092883 559150493 /nfs/dbraw/zinc/15/04/93/559150493.db2.gz WNRZHSXBXMWQLP-XMMPIXPASA-N 0 0 410.473 5.360 50 0 HKAARN O=c1nc(CNC(c2ccccc2)c2ccccc2)[nH]c2scc(-c3ccccc3)c21 ZINC000014093077 558619193 /nfs/dbraw/zinc/61/91/93/558619193.db2.gz QGMFLRQGCSVCPL-UHFFFAOYSA-N 0 0 423.541 5.531 50 0 HKAARN COc1ccc(CNC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 ZINC000014093135 559150454 /nfs/dbraw/zinc/15/04/54/559150454.db2.gz VWOVVBFUUPVEMG-UHFFFAOYSA-N 0 0 424.547 5.429 50 0 HKAARN Cc1ccccc1-n1ccnc1SCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000014094235 558619335 /nfs/dbraw/zinc/61/93/35/558619335.db2.gz HHSPCIOECASRDD-CYBMUJFWSA-N 0 0 421.595 5.185 50 0 HKAARN Cc1ccccc1-n1ccnc1SCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000014094236 558619360 /nfs/dbraw/zinc/61/93/60/558619360.db2.gz HHSPCIOECASRDD-ZDUSSCGKSA-N 0 0 421.595 5.185 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 ZINC000014094365 558619469 /nfs/dbraw/zinc/61/94/69/558619469.db2.gz WPMMSFWVPMYCTQ-UHFFFAOYSA-N 0 0 400.906 5.364 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000014094411 558619457 /nfs/dbraw/zinc/61/94/57/558619457.db2.gz LZJCVKPJJWLYMF-UHFFFAOYSA-N 0 0 420.337 5.488 50 0 HKAARN COCCN(Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl ZINC000014094676 558619524 /nfs/dbraw/zinc/61/95/24/558619524.db2.gz KULITYKMDDIWIS-UHFFFAOYSA-N 0 0 419.959 5.315 50 0 HKAARN COc1ccc(-c2noc(CSc3nc4cc(Cl)ccc4s3)n2)c(OC)c1 ZINC000014094852 559150592 /nfs/dbraw/zinc/15/05/92/559150592.db2.gz MGBWLTBRQWUUTM-UHFFFAOYSA-N 0 0 419.915 5.309 50 0 HKAARN O=C(Nc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1)c1ccc(Cl)cc1Cl ZINC000014095077 558619750 /nfs/dbraw/zinc/61/97/50/558619750.db2.gz JWRKDAWJWFMXCF-IBGZPJMESA-N 0 0 412.276 5.100 50 0 HKAARN O=C(Nc1cccc([C@H]2NC(=O)c3ccccc3N2)c1)c1ccc(Cl)cc1Cl ZINC000014095078 558619712 /nfs/dbraw/zinc/61/97/12/558619712.db2.gz JWRKDAWJWFMXCF-LJQANCHMSA-N 0 0 412.276 5.100 50 0 HKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)OCC(=O)C(C)(C)C)c2c1C ZINC000014095190 559150600 /nfs/dbraw/zinc/15/06/00/559150600.db2.gz WYEQNNBEZWZGRP-UHFFFAOYSA-N 0 0 414.552 5.231 50 0 HKAARN CC(=O)c1cc(Br)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014095448 558619947 /nfs/dbraw/zinc/61/99/47/558619947.db2.gz OQRVJPKVGGGBPE-UHFFFAOYSA-N 0 0 424.294 5.483 50 0 HKAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000014095501 569043941 /nfs/dbraw/zinc/04/39/41/569043941.db2.gz SWBJSDAUWSNXDB-RMKNXTFCSA-N 0 0 424.850 5.086 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2)CC1=O ZINC000014095535 558619977 /nfs/dbraw/zinc/61/99/77/558619977.db2.gz GPAOZUWTIHJLNF-NRFANRHFSA-N 0 0 419.569 5.320 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2)CC1=O ZINC000014095536 558619905 /nfs/dbraw/zinc/61/99/05/558619905.db2.gz GPAOZUWTIHJLNF-OAQYLSRUSA-N 0 0 419.569 5.320 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccccc1 ZINC000014095567 558620185 /nfs/dbraw/zinc/62/01/85/558620185.db2.gz SHYBAVXAWDGFTM-JOCHJYFZSA-N 0 0 401.554 5.523 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccccc1 ZINC000014095568 558620173 /nfs/dbraw/zinc/62/01/73/558620173.db2.gz SHYBAVXAWDGFTM-QFIPXVFZSA-N 0 0 401.554 5.523 50 0 HKAARN c1csc(-c2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)co2)c1 ZINC000014095602 558620178 /nfs/dbraw/zinc/62/01/78/558620178.db2.gz NEZYHIZDGIDEML-UHFFFAOYSA-N 0 0 423.567 5.266 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O ZINC000014095759 558620145 /nfs/dbraw/zinc/62/01/45/558620145.db2.gz LTUDZQRCEWJDCR-FQEVSTJZSA-N 0 0 405.542 5.012 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O ZINC000014095760 558620176 /nfs/dbraw/zinc/62/01/76/558620176.db2.gz LTUDZQRCEWJDCR-HXUWFJFHSA-N 0 0 405.542 5.012 50 0 HKAARN CC(=O)NCc1ccc(-c2nc(Nc3cccc(Br)c3)sc2C)s1 ZINC000014103757 559150948 /nfs/dbraw/zinc/15/09/48/559150948.db2.gz NKROWHVKTCZOFW-UHFFFAOYSA-N 0 0 422.373 5.322 50 0 HKAARN COc1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C ZINC000014104499 558620349 /nfs/dbraw/zinc/62/03/49/558620349.db2.gz VHASXLVFYJTRGH-UHFFFAOYSA-N 0 0 420.538 5.618 50 0 HKAARN O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014108451 558620396 /nfs/dbraw/zinc/62/03/96/558620396.db2.gz SNESHGUZIMIGJS-IBGZPJMESA-N 0 0 406.334 5.256 50 0 HKAARN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014108454 558620632 /nfs/dbraw/zinc/62/06/32/558620632.db2.gz SNESHGUZIMIGJS-LJQANCHMSA-N 0 0 406.334 5.256 50 0 HKAARN COc1ccc(-c2csc3ncnc(Sc4ccc(NC(C)=O)cc4)c23)cc1 ZINC000014109538 558620621 /nfs/dbraw/zinc/62/06/21/558620621.db2.gz RONBLZRSRDZMFU-UHFFFAOYSA-N 0 0 407.520 5.477 50 0 HKAARN Cc1nc(-c2ccc(CN[C@@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 ZINC000014110474 558620726 /nfs/dbraw/zinc/62/07/26/558620726.db2.gz RYTDSQBRFJEKGK-OAQYLSRUSA-N 0 0 411.596 5.023 50 0 HKAARN Cc1nc(-c2ccc(CN[C@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 ZINC000014110477 558620770 /nfs/dbraw/zinc/62/07/70/558620770.db2.gz RYTDSQBRFJEKGK-NRFANRHFSA-N 0 0 411.596 5.023 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000014110932 558620759 /nfs/dbraw/zinc/62/07/59/558620759.db2.gz OMMRBFVZMUVSIV-GOSISDBHSA-N 0 0 402.494 5.470 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000014110935 558620733 /nfs/dbraw/zinc/62/07/33/558620733.db2.gz OMMRBFVZMUVSIV-SFHVURJKSA-N 0 0 402.494 5.470 50 0 HKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Nc2ccnn2C(C)C)n1 ZINC000014111590 558620942 /nfs/dbraw/zinc/62/09/42/558620942.db2.gz ZQGDJNZSYJVXSM-UHFFFAOYSA-N 0 0 412.540 5.520 50 0 HKAARN COc1ccc(CC(=O)Nc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)cc1 ZINC000014111692 558620926 /nfs/dbraw/zinc/62/09/26/558620926.db2.gz GRYNLHUCHRXVGD-UHFFFAOYSA-N 0 0 421.522 5.060 50 0 HKAARN CC(=O)Nc1cc(C)c(C)cc1-c1csc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000014112018 559151832 /nfs/dbraw/zinc/15/18/32/559151832.db2.gz SFJJZLNOGXCNBA-UHFFFAOYSA-N 0 0 415.518 5.791 50 0 HKAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2)c1 ZINC000014114358 558621389 /nfs/dbraw/zinc/62/13/89/558621389.db2.gz CYPHSGFTDIZVPB-UHFFFAOYSA-N 0 0 416.506 5.450 50 0 HKAARN Cc1cccc(C)c1NC(=O)CNc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000014115314 558621535 /nfs/dbraw/zinc/62/15/35/558621535.db2.gz RQYRIIHHMBAOAK-UHFFFAOYSA-N 0 0 406.486 5.165 50 0 HKAARN C[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nnc(-c2ccccc2)o1 ZINC000014117323 558621714 /nfs/dbraw/zinc/62/17/14/558621714.db2.gz TWYUNFQLCSFMMC-OAHLLOKOSA-N 0 0 404.853 5.761 50 0 HKAARN C[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nnc(-c2ccccc2)o1 ZINC000014117326 558621726 /nfs/dbraw/zinc/62/17/26/558621726.db2.gz TWYUNFQLCSFMMC-HNNXBMFYSA-N 0 0 404.853 5.761 50 0 HKAARN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014118234 558621908 /nfs/dbraw/zinc/62/19/08/558621908.db2.gz RZBDOLZYPNJUBS-QGZVFWFLSA-N 0 0 412.536 5.010 50 0 HKAARN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014118236 558621931 /nfs/dbraw/zinc/62/19/31/558621931.db2.gz RZBDOLZYPNJUBS-KRWDZBQOSA-N 0 0 412.536 5.010 50 0 HKAARN O=C(Nc1cc(C(=O)Nc2cccc3ncccc32)ccc1Cl)c1cccs1 ZINC000014118368 558621973 /nfs/dbraw/zinc/62/19/73/558621973.db2.gz IEFAGKHQGBANRQ-UHFFFAOYSA-N 0 0 407.882 5.454 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000014118860 558621850 /nfs/dbraw/zinc/62/18/50/558621850.db2.gz VVWNUKDSMQGLDG-CYBMUJFWSA-N 0 0 418.415 5.380 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000014118863 558621857 /nfs/dbraw/zinc/62/18/57/558621857.db2.gz VVWNUKDSMQGLDG-ZDUSSCGKSA-N 0 0 418.415 5.380 50 0 HKAARN CC(=O)N(C)Cc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000014118926 558622155 /nfs/dbraw/zinc/62/21/55/558622155.db2.gz RYSAARASRZGOMK-UHFFFAOYSA-N 0 0 401.329 5.218 50 0 HKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl ZINC000014118984 559152595 /nfs/dbraw/zinc/15/25/95/559152595.db2.gz KGPFJSBFCHYASL-UHFFFAOYSA-N 0 0 414.555 5.652 50 0 HKAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1Cc1ccccc1 ZINC000014118987 558622067 /nfs/dbraw/zinc/62/20/67/558622067.db2.gz FBSNCKSSMWLMDE-UHFFFAOYSA-N 0 0 424.294 5.063 50 0 HKAARN COCc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)sc2cccc(F)c21 ZINC000014120248 558622387 /nfs/dbraw/zinc/62/23/87/558622387.db2.gz PHBRHIFPBJCYJB-UHFFFAOYSA-N 0 0 411.420 5.178 50 0 HKAARN COc1ccc(Br)cc1-c1nc(COc2ccc(C(C)=O)cc2)cs1 ZINC000014120706 558622409 /nfs/dbraw/zinc/62/24/09/558622409.db2.gz AKLAWLQSKHQNKI-UHFFFAOYSA-N 0 0 418.312 5.363 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 ZINC000014122099 558622442 /nfs/dbraw/zinc/62/24/42/558622442.db2.gz RDMVNDBIHCDQLW-UHFFFAOYSA-N 0 0 421.850 6.094 50 0 HKAARN COc1ccc(-c2nnc(CSc3ncc(C(F)(F)F)cc3Cl)o2)cc1 ZINC000014122911 558622494 /nfs/dbraw/zinc/62/24/94/558622494.db2.gz PXBHLTZHGVDYAB-UHFFFAOYSA-N 0 0 401.797 5.105 50 0 HKAARN C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)c1ccc(Br)cc1 ZINC000014123673 558622680 /nfs/dbraw/zinc/62/26/80/558622680.db2.gz YDMQDSJBEKGHLH-SNVBAGLBSA-N 0 0 407.260 5.231 50 0 HKAARN C[C@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)c1ccc(Br)cc1 ZINC000014123675 558622799 /nfs/dbraw/zinc/62/27/99/558622799.db2.gz YDMQDSJBEKGHLH-JTQLQIEISA-N 0 0 407.260 5.231 50 0 HKAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014123964 558622810 /nfs/dbraw/zinc/62/28/10/558622810.db2.gz OHRFSFNBXLCMMX-QFIPXVFZSA-N 0 0 424.504 5.195 50 0 HKAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014123967 558622649 /nfs/dbraw/zinc/62/26/49/558622649.db2.gz OHRFSFNBXLCMMX-JOCHJYFZSA-N 0 0 424.504 5.195 50 0 HKAARN C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000014124769 558622925 /nfs/dbraw/zinc/62/29/25/558622925.db2.gz KTOMPYCYLJFOTF-LJQANCHMSA-N 0 0 424.500 5.348 50 0 HKAARN C[C@H](NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000014124772 558622940 /nfs/dbraw/zinc/62/29/40/558622940.db2.gz KTOMPYCYLJFOTF-IBGZPJMESA-N 0 0 424.500 5.348 50 0 HKAARN C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125501 558623021 /nfs/dbraw/zinc/62/30/21/558623021.db2.gz UZGSCCYDBCQYLH-CRICUBBOSA-N 0 0 412.489 5.214 50 0 HKAARN C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014125504 558623112 /nfs/dbraw/zinc/62/31/12/558623112.db2.gz 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CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1cccs1 ZINC000014128593 558623512 /nfs/dbraw/zinc/62/35/12/558623512.db2.gz OQROZOFLHVNZIL-UHFFFAOYSA-N 0 0 407.948 5.134 50 0 HKAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000014128639 558623563 /nfs/dbraw/zinc/62/35/63/558623563.db2.gz MRICITBDJZUKNS-JOCHJYFZSA-N 0 0 423.871 5.206 50 0 HKAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000014128640 558623519 /nfs/dbraw/zinc/62/35/19/558623519.db2.gz MRICITBDJZUKNS-QFIPXVFZSA-N 0 0 423.871 5.206 50 0 HKAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014128681 558623543 /nfs/dbraw/zinc/62/35/43/558623543.db2.gz WBIBYNMIQSGBRL-IBGZPJMESA-N 0 0 400.459 5.204 50 0 HKAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014128682 558623552 /nfs/dbraw/zinc/62/35/52/558623552.db2.gz WBIBYNMIQSGBRL-LJQANCHMSA-N 0 0 400.459 5.204 50 0 HKAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1nc2c(s1)CCCC2 ZINC000014128862 558623506 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/nfs/dbraw/zinc/63/03/38/558630338.db2.gz NRSJVYYNRWENBU-OAQYLSRUSA-N 0 0 419.830 5.529 50 0 HKAARN COc1ccc2c(c1)oc(C(=O)Nc1ccccc1Br)c2-c1ccccc1 ZINC000014185459 558630472 /nfs/dbraw/zinc/63/04/72/558630472.db2.gz WFDCMYSJFMQPBC-UHFFFAOYSA-N 0 0 422.278 6.123 50 0 HKAARN Cc1ccc(C2=NN(C(=O)COc3cccc4c3CCC=C4)[C@@H](c3ccco3)C2)cc1 ZINC000014185469 558630524 /nfs/dbraw/zinc/63/05/24/558630524.db2.gz JYDIVORAOXKLIY-HSZRJFAPSA-N 0 0 412.489 5.304 50 0 HKAARN Cc1ccc(C2=NN(C(=O)COc3cccc4c3CCC=C4)[C@H](c3ccco3)C2)cc1 ZINC000014185470 558630475 /nfs/dbraw/zinc/63/04/75/558630475.db2.gz JYDIVORAOXKLIY-QHCPKHFHSA-N 0 0 412.489 5.304 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000014186205 558631048 /nfs/dbraw/zinc/63/10/48/558631048.db2.gz HLFFGVATOOBTOX-OAHLLOKOSA-N 0 0 413.926 5.239 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000014186207 558631049 /nfs/dbraw/zinc/63/10/49/558631049.db2.gz HLFFGVATOOBTOX-HNNXBMFYSA-N 0 0 413.926 5.239 50 0 HKAARN CN(Cc1cccc(Cl)c1Cl)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000014186546 558631170 /nfs/dbraw/zinc/63/11/70/558631170.db2.gz CLMOAZVSNXSNNP-UHFFFAOYSA-N 0 0 420.369 5.207 50 0 HKAARN c1cc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc54)n3C3CC3)n2)cs1 ZINC000014187093 558631533 /nfs/dbraw/zinc/63/15/33/558631533.db2.gz WZLJMXDYVNRAJO-UHFFFAOYSA-N 0 0 420.523 5.165 50 0 HKAARN CN(Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000014187198 558631527 /nfs/dbraw/zinc/63/15/27/558631527.db2.gz HXAFXBGSLMOXMT-UHFFFAOYSA-N 0 0 407.587 5.198 50 0 HKAARN O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(F)cc1F ZINC000014188907 558632064 /nfs/dbraw/zinc/63/20/64/558632064.db2.gz LRGRMLCHDXACFM-UHFFFAOYSA-N 0 0 412.564 5.234 50 0 HKAARN CN(Cc1cccc(Cl)c1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000014189379 558632288 /nfs/dbraw/zinc/63/22/88/558632288.db2.gz AMTHFJDIDCSUNA-UHFFFAOYSA-N 0 0 420.369 5.207 50 0 HKAARN C[C@@H](CC(=O)N(C)c1ccccc1C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000014189584 558632212 /nfs/dbraw/zinc/63/22/12/558632212.db2.gz NCLFCULOBWTJAB-KRWDZBQOSA-N 0 0 406.913 5.749 50 0 HKAARN C[C@H](CC(=O)N(C)c1ccccc1C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000014189586 558632478 /nfs/dbraw/zinc/63/24/78/558632478.db2.gz NCLFCULOBWTJAB-QGZVFWFLSA-N 0 0 406.913 5.749 50 0 HKAARN Cc1nc(-c2ccc(CNC(=O)COc3ccccc3-c3ccccc3)o2)cs1 ZINC000014189767 558632489 /nfs/dbraw/zinc/63/24/89/558632489.db2.gz KFESCQMDIOYLCR-UHFFFAOYSA-N 0 0 404.491 5.074 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014190117 558632403 /nfs/dbraw/zinc/63/24/03/558632403.db2.gz XSIBPFPENKWXEB-HXUWFJFHSA-N 0 0 410.587 5.062 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014190119 558632503 /nfs/dbraw/zinc/63/25/03/558632503.db2.gz XSIBPFPENKWXEB-FQEVSTJZSA-N 0 0 410.587 5.062 50 0 HKAARN Clc1c2ccccc2sc1CSc1nnc(-c2cccs2)n1C1CC1 ZINC000014190144 558632460 /nfs/dbraw/zinc/63/24/60/558632460.db2.gz TWOCKAVADGKRQO-UHFFFAOYSA-N 0 0 403.985 6.502 50 0 HKAARN Cc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 ZINC000014196037 558633200 /nfs/dbraw/zinc/63/32/00/558633200.db2.gz GYNILUMKHJKSHK-UHFFFAOYSA-N 0 0 417.500 5.460 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014196502 558633431 /nfs/dbraw/zinc/63/34/31/558633431.db2.gz FEDRHMVMFPEWAG-OAHLLOKOSA-N 0 0 411.577 5.362 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014196503 558633437 /nfs/dbraw/zinc/63/34/37/558633437.db2.gz FEDRHMVMFPEWAG-HNNXBMFYSA-N 0 0 411.577 5.362 50 0 HKAARN CCn1c(-c2ccco2)nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197194 558633808 /nfs/dbraw/zinc/63/38/08/558633808.db2.gz XXLHQXDDCHXUAZ-NRFANRHFSA-N 0 0 422.529 5.512 50 0 HKAARN CCn1c(-c2ccco2)nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000014197195 558633839 /nfs/dbraw/zinc/63/38/39/558633839.db2.gz XXLHQXDDCHXUAZ-OAQYLSRUSA-N 0 0 422.529 5.512 50 0 HKAARN Cc1nc(Cc2nn(CN(C)C(c3ccccc3)c3ccccc3)c(=S)o2)cs1 ZINC000014197233 558634004 /nfs/dbraw/zinc/63/40/04/558634004.db2.gz RNFOBKUEUXQRRQ-UHFFFAOYSA-N 0 0 422.579 5.240 50 0 HKAARN CC(C)C[C@@H](NC(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014197332 569258887 /nfs/dbraw/zinc/25/88/87/569258887.db2.gz FZNCRLOJBIHZEX-GOSISDBHSA-N 0 0 414.962 5.165 50 0 HKAARN CC(C)C[C@H](NC(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014197333 569258904 /nfs/dbraw/zinc/25/89/04/569258904.db2.gz FZNCRLOJBIHZEX-SFHVURJKSA-N 0 0 414.962 5.165 50 0 HKAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014197339 558633996 /nfs/dbraw/zinc/63/39/96/558633996.db2.gz OFWUJFGAZCWEGT-UHFFFAOYSA-N 0 0 411.486 5.029 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000014197509 558634253 /nfs/dbraw/zinc/63/42/53/558634253.db2.gz JFCDOJSUKTUNRL-LLVKDONJSA-N 0 0 417.531 5.003 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000014197510 558634204 /nfs/dbraw/zinc/63/42/04/558634204.db2.gz JFCDOJSUKTUNRL-NSHDSACASA-N 0 0 417.531 5.003 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000014197996 558634341 /nfs/dbraw/zinc/63/43/41/558634341.db2.gz PFTHXKYIVJAZLD-VWLOTQADSA-N 0 0 419.546 5.284 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000014197997 558634357 /nfs/dbraw/zinc/63/43/57/558634357.db2.gz PFTHXKYIVJAZLD-RUZDIDTESA-N 0 0 419.546 5.284 50 0 HKAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014198166 558634574 /nfs/dbraw/zinc/63/45/74/558634574.db2.gz SDSOFXMFTSGDBK-KWJFTMPMSA-N 0 0 411.571 5.063 50 0 HKAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014198167 558634608 /nfs/dbraw/zinc/63/46/08/558634608.db2.gz SDSOFXMFTSGDBK-NSDYXAQKSA-N 0 0 411.571 5.063 50 0 HKAARN CC(=O)c1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)s1 ZINC000014198211 558634567 /nfs/dbraw/zinc/63/45/67/558634567.db2.gz YLHRITZINLRKPG-KRWDZBQOSA-N 0 0 422.937 5.647 50 0 HKAARN CC(=O)c1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)s1 ZINC000014198212 558634603 /nfs/dbraw/zinc/63/46/03/558634603.db2.gz YLHRITZINLRKPG-QGZVFWFLSA-N 0 0 422.937 5.647 50 0 HKAARN Cc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1 ZINC000014198382 558634622 /nfs/dbraw/zinc/63/46/22/558634622.db2.gz DKLKCUFHBMGGCW-UHFFFAOYSA-N 0 0 417.606 5.224 50 0 HKAARN Cc1nnc(SCC(=O)Nc2nc3c(cc(C)cc3C)s2)n1C1CCCCC1 ZINC000014198870 558634971 /nfs/dbraw/zinc/63/49/71/558634971.db2.gz XLLJUTNYDOBXCD-UHFFFAOYSA-N 0 0 415.588 5.049 50 0 HKAARN Cc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1-c1ccccc1 ZINC000014198883 558634963 /nfs/dbraw/zinc/63/49/63/558634963.db2.gz IDCVALOGIXDMBX-UHFFFAOYSA-N 0 0 416.550 5.444 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1c(C)cc(C)cc1C ZINC000014199129 558635133 /nfs/dbraw/zinc/63/51/33/558635133.db2.gz XZZLJBDCXLRNDP-UHFFFAOYSA-N 0 0 400.525 5.171 50 0 HKAARN CN(CC(=O)Nc1ccccc1Cl)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000014199192 558635170 /nfs/dbraw/zinc/63/51/70/558635170.db2.gz XYHRHRYODUNUGG-UHFFFAOYSA-N 0 0 402.885 5.025 50 0 HKAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1SCc1ccsc1 ZINC000014199661 558635589 /nfs/dbraw/zinc/63/55/89/558635589.db2.gz IPEUIQJNXWDWDK-UHFFFAOYSA-N 0 0 406.532 5.106 50 0 HKAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1 ZINC000014199764 558635665 /nfs/dbraw/zinc/63/56/65/558635665.db2.gz MYNURMSAMBRWQK-UHFFFAOYSA-N 0 0 418.500 5.077 50 0 HKAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000014199767 559156531 /nfs/dbraw/zinc/15/65/31/559156531.db2.gz VFYGRZDNNBRZTA-UHFFFAOYSA-N 0 0 415.287 5.914 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC000014199990 558635681 /nfs/dbraw/zinc/63/56/81/558635681.db2.gz AJCCATLTDHTCHR-UHFFFAOYSA-N 0 0 414.590 5.071 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(CSc2nc[nH]n2)cc1 ZINC000014200028 559156478 /nfs/dbraw/zinc/15/64/78/559156478.db2.gz ZJGYBTWCOCXAEX-UHFFFAOYSA-N 0 0 412.824 5.022 50 0 HKAARN O=C(NC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)c1ccccc1 ZINC000014200264 558635895 /nfs/dbraw/zinc/63/58/95/558635895.db2.gz 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ZINC000014201934 558637221 /nfs/dbraw/zinc/63/72/21/558637221.db2.gz OQYHLFMFMZRTFW-CQSZACIVSA-N 0 0 421.547 5.443 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000014201935 558637209 /nfs/dbraw/zinc/63/72/09/558637209.db2.gz OQYHLFMFMZRTFW-AWEZNQCLSA-N 0 0 421.547 5.443 50 0 HKAARN COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1Br ZINC000014202040 558637358 /nfs/dbraw/zinc/63/73/58/558637358.db2.gz UETNYUNPTSXCDE-UHFFFAOYSA-N 0 0 417.328 5.071 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3c(F)cccc3Cl)cs2)cc1 ZINC000014202205 558637622 /nfs/dbraw/zinc/63/76/22/558637622.db2.gz BNGPEWJUOMHEPF-UHFFFAOYSA-N 0 0 418.921 5.024 50 0 HKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 ZINC000014204704 569258901 /nfs/dbraw/zinc/25/89/01/569258901.db2.gz MAYUKZVLKAZNFO-UHFFFAOYSA-N 0 0 401.319 5.007 50 0 HKAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1Cl ZINC000014207553 558637671 /nfs/dbraw/zinc/63/76/71/558637671.db2.gz YLMOMEUZCNJMHT-UHFFFAOYSA-N 0 0 411.820 5.252 50 0 HKAARN Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)c12 ZINC000014217511 558638351 /nfs/dbraw/zinc/63/83/51/558638351.db2.gz FMSFTQFXXSDXEP-UHFFFAOYSA-N 0 0 400.463 5.369 50 0 HKAARN Cc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc54)o3)n2)cc1F ZINC000014227006 558638844 /nfs/dbraw/zinc/63/88/44/558638844.db2.gz HCGPUSQNSHSTTO-UHFFFAOYSA-N 0 0 407.430 5.008 50 0 HKAARN Cc1csc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4C)n3)c2C)n1 ZINC000014227101 558638806 /nfs/dbraw/zinc/63/88/06/558638806.db2.gz JCWQLJROQPPHFA-UHFFFAOYSA-N 0 0 422.579 5.472 50 0 HKAARN Cc1c2ccccc2sc1C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000014227792 558639198 /nfs/dbraw/zinc/63/91/98/558639198.db2.gz HEPOGINTQJBQKJ-UHFFFAOYSA-N 0 0 406.536 5.173 50 0 HKAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014228384 559161074 /nfs/dbraw/zinc/16/10/74/559161074.db2.gz IFODMHRWWJITNA-LJQANCHMSA-N 0 0 424.497 5.088 50 0 HKAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014228387 559161046 /nfs/dbraw/zinc/16/10/46/559161046.db2.gz IFODMHRWWJITNA-IBGZPJMESA-N 0 0 424.497 5.088 50 0 HKAARN Cc1cc(C)c(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)s2)c(=O)[nH]1 ZINC000014228658 558639338 /nfs/dbraw/zinc/63/93/38/558639338.db2.gz OZFNKWODSXARHS-UHFFFAOYSA-N 0 0 414.530 5.317 50 0 HKAARN CCNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000014228990 558639355 /nfs/dbraw/zinc/63/93/55/558639355.db2.gz AZAAQDARJGNXIK-UHFFFAOYSA-N 0 0 407.326 5.099 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000014229463 558639470 /nfs/dbraw/zinc/63/94/70/558639470.db2.gz VFUSFNHXTLWWDY-MQVJKMGUSA-N 0 0 410.048 6.016 50 0 HKAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1Cl ZINC000014229848 558639701 /nfs/dbraw/zinc/63/97/01/558639701.db2.gz BTPOWVRIRNJNTJ-UHFFFAOYSA-N 0 0 408.841 5.069 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)NC(c2ccccc2)c2ccccc2)no1 ZINC000014230708 558639922 /nfs/dbraw/zinc/63/99/22/558639922.db2.gz SIUZZVHGHIBBKO-UHFFFAOYSA-N 0 0 415.518 5.190 50 0 HKAARN Cc1ccc(-c2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)n2C)cc1 ZINC000014231002 558639903 /nfs/dbraw/zinc/63/99/03/558639903.db2.gz PTHOMVXXBXCLGS-OAHLLOKOSA-N 0 0 409.584 5.187 50 0 HKAARN Cc1ccc(-c2nn(CN(C)[C@@H](C)c3nc4ccccc4s3)c(=S)n2C)cc1 ZINC000014231005 558639856 /nfs/dbraw/zinc/63/98/56/558639856.db2.gz PTHOMVXXBXCLGS-HNNXBMFYSA-N 0 0 409.584 5.187 50 0 HKAARN COCc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)sc2cccc(F)c21 ZINC000014236081 558641327 /nfs/dbraw/zinc/64/13/27/558641327.db2.gz ZJHPUQNOHBCZCJ-UHFFFAOYSA-N 0 0 424.497 5.348 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000014236459 558641685 /nfs/dbraw/zinc/64/16/85/558641685.db2.gz ACVFJHVPFBXTDH-LJQANCHMSA-N 0 0 403.931 5.055 50 0 HKAARN CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000014236463 558641705 /nfs/dbraw/zinc/64/17/05/558641705.db2.gz ACVFJHVPFBXTDH-IBGZPJMESA-N 0 0 403.931 5.055 50 0 HKAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014237464 558642161 /nfs/dbraw/zinc/64/21/61/558642161.db2.gz MTZPNOUXQNUYMP-JIEKGTPASA-N 0 0 407.004 5.515 50 0 HKAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014237467 558642233 /nfs/dbraw/zinc/64/22/33/558642233.db2.gz MTZPNOUXQNUYMP-ABROSTTOSA-N 0 0 407.004 5.515 50 0 HKAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000014237750 558642462 /nfs/dbraw/zinc/64/24/62/558642462.db2.gz IXEXHXMJNYEWIW-HSZRJFAPSA-N 0 0 401.510 5.062 50 0 HKAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000014237753 558642427 /nfs/dbraw/zinc/64/24/27/558642427.db2.gz IXEXHXMJNYEWIW-QHCPKHFHSA-N 0 0 401.510 5.062 50 0 HKAARN O[C@H](C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)CO[C@@H]1CCCc2ccccc21 ZINC000014237843 558642419 /nfs/dbraw/zinc/64/24/19/558642419.db2.gz GPFNJXKIGXNQPX-BKULYWANSA-N 0 0 411.542 5.021 50 0 HKAARN O[C@H](C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)CO[C@@H]1CCCc2ccccc21 ZINC000014237851 558642398 /nfs/dbraw/zinc/64/23/98/558642398.db2.gz GPFNJXKIGXNQPX-KIFXHHALSA-N 0 0 411.542 5.021 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCCCC2)cc1 ZINC000014237914 132460139 /nfs/dbraw/zinc/46/01/39/132460139.db2.gz HNDPCFXIHDVJFK-UHFFFAOYSA-N 0 0 409.917 5.557 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000014238959 558642844 /nfs/dbraw/zinc/64/28/44/558642844.db2.gz SVLCMXBZMNPRDJ-UHFFFAOYSA-N 0 0 418.518 5.167 50 0 HKAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000014239174 558642859 /nfs/dbraw/zinc/64/28/59/558642859.db2.gz JIXKILUVOXSPNV-CYBMUJFWSA-N 0 0 404.944 5.338 50 0 HKAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000014239179 558642814 /nfs/dbraw/zinc/64/28/14/558642814.db2.gz JIXKILUVOXSPNV-ZDUSSCGKSA-N 0 0 404.944 5.338 50 0 HKAARN Cc1csc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccc(C)cc4)n3)c2C)n1 ZINC000014239508 558643073 /nfs/dbraw/zinc/64/30/73/558643073.db2.gz NPJLXQULTOEZNM-UHFFFAOYSA-N 0 0 422.579 5.472 50 0 HKAARN CC(C)Nc1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)s1 ZINC000014239844 558643015 /nfs/dbraw/zinc/64/30/15/558643015.db2.gz DZURTYXGBYTGGQ-KRWDZBQOSA-N 0 0 402.614 5.161 50 0 HKAARN CC(C)Nc1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)s1 ZINC000014239847 558643047 /nfs/dbraw/zinc/64/30/47/558643047.db2.gz DZURTYXGBYTGGQ-QGZVFWFLSA-N 0 0 402.614 5.161 50 0 HKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cccc(OCc2cscn2)c1 ZINC000014240422 558643230 /nfs/dbraw/zinc/64/32/30/558643230.db2.gz RXNKUJZSYXGICH-UHFFFAOYSA-N 0 0 417.515 5.737 50 0 HKAARN Cc1sc2ncnc(Sc3nnc(-c4ccccc4Br)o3)c2c1C ZINC000014240460 558643505 /nfs/dbraw/zinc/64/35/05/558643505.db2.gz CQFRWSOBWDLBHN-UHFFFAOYSA-N 0 0 419.329 5.272 50 0 HKAARN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000014240668 558643494 /nfs/dbraw/zinc/64/34/94/558643494.db2.gz RRTFZTKPLFPZDF-OAHLLOKOSA-N 0 0 408.885 5.092 50 0 HKAARN COc1ccccc1[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000014240669 558643519 /nfs/dbraw/zinc/64/35/19/558643519.db2.gz RRTFZTKPLFPZDF-HNNXBMFYSA-N 0 0 408.885 5.092 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000014241023 558643732 /nfs/dbraw/zinc/64/37/32/558643732.db2.gz SJMJJOYMRUZNJQ-UHFFFAOYSA-N 0 0 402.237 5.586 50 0 HKAARN Cc1ccc(-c2noc(CSc3nnc(Nc4ccccc4F)s3)n2)cc1F ZINC000014241265 558643871 /nfs/dbraw/zinc/64/38/71/558643871.db2.gz LFBQNVHNMSIEPU-UHFFFAOYSA-N 0 0 417.466 5.211 50 0 HKAARN COc1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc(OC)c1OC ZINC000014241393 558644117 /nfs/dbraw/zinc/64/41/17/558644117.db2.gz GMGVMGBMEGVGMX-UHFFFAOYSA-N 0 0 403.434 5.378 50 0 HKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000014241413 559161739 /nfs/dbraw/zinc/16/17/39/559161739.db2.gz DXPUXKMFXGNANL-IBGZPJMESA-N 0 0 423.444 5.487 50 0 HKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000014241414 559161751 /nfs/dbraw/zinc/16/17/51/559161751.db2.gz DXPUXKMFXGNANL-LJQANCHMSA-N 0 0 423.444 5.487 50 0 HKAARN CCCCCc1nnc(NC(=O)c2ccccc2SCc2csc(C)n2)s1 ZINC000014241658 558644295 /nfs/dbraw/zinc/64/42/95/558644295.db2.gz OEYKPOVIAVYCSO-UHFFFAOYSA-N 0 0 418.613 5.580 50 0 HKAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)sc1Cl ZINC000014241726 558644288 /nfs/dbraw/zinc/64/42/88/558644288.db2.gz VIDFLHLBIAQPSF-UHFFFAOYSA-N 0 0 412.125 5.072 50 0 HKAARN C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 ZINC000014241865 558644490 /nfs/dbraw/zinc/64/44/90/558644490.db2.gz IMSXKIHUOFRRPA-ZHRRBRCNSA-N 0 0 402.519 5.034 50 0 HKAARN C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 ZINC000014241866 558644477 /nfs/dbraw/zinc/64/44/77/558644477.db2.gz IMSXKIHUOFRRPA-AOMKIAJQSA-N 0 0 402.519 5.034 50 0 HKAARN C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 ZINC000014241867 558644544 /nfs/dbraw/zinc/64/45/44/558644544.db2.gz IMSXKIHUOFRRPA-OPAMFIHVSA-N 0 0 402.519 5.034 50 0 HKAARN C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 ZINC000014241868 558644467 /nfs/dbraw/zinc/64/44/67/558644467.db2.gz IMSXKIHUOFRRPA-KSFYIVLOSA-N 0 0 402.519 5.034 50 0 HKAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2NC1=O ZINC000014242327 558644965 /nfs/dbraw/zinc/64/49/65/558644965.db2.gz XMPHLFCRCFSGRH-ZDUSSCGKSA-N 0 0 410.520 5.012 50 0 HKAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2NC1=O ZINC000014242328 558644889 /nfs/dbraw/zinc/64/48/89/558644889.db2.gz XMPHLFCRCFSGRH-CYBMUJFWSA-N 0 0 410.520 5.012 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1cccs1 ZINC000014242346 558644909 /nfs/dbraw/zinc/64/49/09/558644909.db2.gz DSZZCMCWMSHOTA-UHFFFAOYSA-N 0 0 421.953 5.455 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000014242435 558644877 /nfs/dbraw/zinc/64/48/77/558644877.db2.gz QOOSBPKLBRSINX-GOSISDBHSA-N 0 0 405.548 5.706 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 ZINC000014242436 558644996 /nfs/dbraw/zinc/64/49/96/558644996.db2.gz QOOSBPKLBRSINX-SFHVURJKSA-N 0 0 405.548 5.706 50 0 HKAARN Cc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)c(C)c1 ZINC000014244088 558645517 /nfs/dbraw/zinc/64/55/17/558645517.db2.gz JGHMQTJLSDJXEV-UHFFFAOYSA-N 0 0 407.539 5.203 50 0 HKAARN CC(C)c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccco1 ZINC000014245599 558646784 /nfs/dbraw/zinc/64/67/84/558646784.db2.gz UKIFLICFNRMGSQ-UHFFFAOYSA-N 0 0 424.492 5.287 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000014245743 569259189 /nfs/dbraw/zinc/25/91/89/569259189.db2.gz OKKBEUHQVVLQSR-OAHLLOKOSA-N 0 0 410.543 5.159 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000014245744 569259140 /nfs/dbraw/zinc/25/91/40/569259140.db2.gz OKKBEUHQVVLQSR-HNNXBMFYSA-N 0 0 410.543 5.159 50 0 HKAARN COCCN(Cc1cccs1)c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000014246135 558646999 /nfs/dbraw/zinc/64/69/99/558646999.db2.gz VQCKKOYMMFYRMX-UHFFFAOYSA-N 0 0 411.552 5.081 50 0 HKAARN Cc1noc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc32)n1 ZINC000014246804 558647792 /nfs/dbraw/zinc/64/77/92/558647792.db2.gz XBKPLDKTYZOCNA-UHFFFAOYSA-N 0 0 413.300 5.043 50 0 HKAARN Cc1nc(COc2ccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)cs1 ZINC000014248373 558648965 /nfs/dbraw/zinc/64/89/65/558648965.db2.gz LXTUESXKSSMKJE-LJQANCHMSA-N 0 0 414.527 5.137 50 0 HKAARN Cc1nc(COc2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)cs1 ZINC000014248375 558648925 /nfs/dbraw/zinc/64/89/25/558648925.db2.gz LXTUESXKSSMKJE-IBGZPJMESA-N 0 0 414.527 5.137 50 0 HKAARN Cc1cc(-c2csc(NC(=O)CCc3nc(-c4cccs4)no3)n2)c(C)s1 ZINC000014248412 558648977 /nfs/dbraw/zinc/64/89/77/558648977.db2.gz MFBOHANQSWNHLI-UHFFFAOYSA-N 0 0 416.553 5.171 50 0 HKAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000014249284 558649330 /nfs/dbraw/zinc/64/93/30/558649330.db2.gz AUDPVFMAMVZEGH-UHFFFAOYSA-N 0 0 405.448 5.018 50 0 HKAARN CC[C@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@@H](C)CC ZINC000014249600 558649348 /nfs/dbraw/zinc/64/93/48/558649348.db2.gz HCMQVTACAHDOSJ-IRXDYDNUSA-N 0 0 418.607 5.052 50 0 HKAARN CC[C@@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@H](C)CC ZINC000014249602 558649500 /nfs/dbraw/zinc/64/95/00/558649500.db2.gz HCMQVTACAHDOSJ-IAGOWNOFSA-N 0 0 418.607 5.052 50 0 HKAARN CC[C@@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@@H](C)CC ZINC000014249604 558649482 /nfs/dbraw/zinc/64/94/82/558649482.db2.gz HCMQVTACAHDOSJ-CALCHBBNSA-N 0 0 418.607 5.052 50 0 HKAARN CC(C)c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccco1 ZINC000014251477 558650056 /nfs/dbraw/zinc/65/00/56/558650056.db2.gz IHYJQJHKZNEKSF-UHFFFAOYSA-N 0 0 415.906 5.039 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000014252932 558650622 /nfs/dbraw/zinc/65/06/22/558650622.db2.gz HZYUVVGDSGUNMB-MRXNPFEDSA-N 0 0 424.884 5.216 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000014252935 558650490 /nfs/dbraw/zinc/65/04/90/558650490.db2.gz HZYUVVGDSGUNMB-INIZCTEOSA-N 0 0 424.884 5.216 50 0 HKAARN C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000014253182 558650495 /nfs/dbraw/zinc/65/04/95/558650495.db2.gz AOTNIVHLPGIMIH-LRYXAPPNSA-N 0 0 412.624 5.770 50 0 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Cc1nn(-c2nc(C)c(C(=O)Nc3cccc(C)c3)s2)c(C)c1Cc1ccccc1 ZINC000014608876 559170842 /nfs/dbraw/zinc/17/08/42/559170842.db2.gz RCJPGITZCFTWBR-UHFFFAOYSA-N 0 0 416.550 5.406 50 0 HKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(C)cc3)s2)c(C)c1Cc1ccccc1 ZINC000014608886 559170836 /nfs/dbraw/zinc/17/08/36/559170836.db2.gz JPMTYDMEPLEZQS-UHFFFAOYSA-N 0 0 416.550 5.406 50 0 HKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3C)s2)c(C)c1Cc1ccccc1 ZINC000014608887 559170829 /nfs/dbraw/zinc/17/08/29/559170829.db2.gz XIXNGBDHCPOANT-UHFFFAOYSA-N 0 0 416.550 5.406 50 0 HKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c(C)c1CCC(C)C ZINC000014608909 559170818 /nfs/dbraw/zinc/17/08/18/559170818.db2.gz HGOGSJBFAAYDQI-UHFFFAOYSA-N 0 0 400.523 5.234 50 0 HKAARN COc1ccc(NC(=O)c2sc(-n3nc(C)c(CCC(C)C)c3C)nc2C)cc1 ZINC000014608917 559170848 /nfs/dbraw/zinc/17/08/48/559170848.db2.gz SRBAWIKWBIQGPH-UHFFFAOYSA-N 0 0 412.559 5.104 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3)cs2)c(C)c1Cc1ccccc1 ZINC000014609269 559170852 /nfs/dbraw/zinc/17/08/52/559170852.db2.gz ZYAFAPGQNGCNIL-UHFFFAOYSA-N 0 0 416.550 5.026 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c(C)c1Cc1ccccc1 ZINC000014609281 559170945 /nfs/dbraw/zinc/17/09/45/559170945.db2.gz RAQHEUICLMUYNF-UHFFFAOYSA-N 0 0 416.550 5.026 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3C)cs2)c(C)c1Cc1ccccc1 ZINC000014609282 559170950 /nfs/dbraw/zinc/17/09/50/559170950.db2.gz QWUPMLAMJDZBIX-UHFFFAOYSA-N 0 0 416.550 5.026 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609316 559170960 /nfs/dbraw/zinc/17/09/60/559170960.db2.gz DESWJPNUPAQDGH-UHFFFAOYSA-N 0 0 416.550 5.026 50 0 HKAARN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000014609427 569260614 /nfs/dbraw/zinc/26/06/14/569260614.db2.gz VCQJTAUHTKQHBE-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000014609431 569260654 /nfs/dbraw/zinc/26/06/54/569260654.db2.gz QZQWHPSDNDFQFH-UHFFFAOYSA-N 0 0 416.868 5.043 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000014609433 569260593 /nfs/dbraw/zinc/26/05/93/569260593.db2.gz MHKVSXCLPYGOBZ-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1C ZINC000014609435 569260631 /nfs/dbraw/zinc/26/06/31/569260631.db2.gz DNJRWESVOSUIQH-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1C ZINC000014609438 569260640 /nfs/dbraw/zinc/26/06/40/569260640.db2.gz FLYSFOFQVCJISX-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000014609439 569260610 /nfs/dbraw/zinc/26/06/10/569260610.db2.gz OHBNWYIKGZZLKB-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609440 569260616 /nfs/dbraw/zinc/26/06/16/569260616.db2.gz PXLGFAMOZMHXEM-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609443 569260590 /nfs/dbraw/zinc/26/05/90/569260590.db2.gz GQBNEWXKKJHUNJ-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014609474 569260665 /nfs/dbraw/zinc/26/06/65/569260665.db2.gz OCKZWLKGKIYOLW-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)c(C)c1 ZINC000014609480 569260657 /nfs/dbraw/zinc/26/06/57/569260657.db2.gz XCRUONDVPNSEGQ-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)c1C ZINC000014609485 569260624 /nfs/dbraw/zinc/26/06/24/569260624.db2.gz ZRNFNRJCXKELPT-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014609486 569260596 /nfs/dbraw/zinc/26/05/96/569260596.db2.gz YVPLHTLXIJSLCB-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609487 569260604 /nfs/dbraw/zinc/26/06/04/569260604.db2.gz DKORTMIJOGYUTG-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609490 569260588 /nfs/dbraw/zinc/26/05/88/569260588.db2.gz ULOBITGMZOKCRS-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000014609514 569260633 /nfs/dbraw/zinc/26/06/33/569260633.db2.gz PQHJLAUOCZRVIN-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1 ZINC000014609520 569260592 /nfs/dbraw/zinc/26/05/92/569260592.db2.gz RDJYIGDHSGNZKU-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1 ZINC000014609535 569260601 /nfs/dbraw/zinc/26/06/01/569260601.db2.gz QQLLNLYQKFYYLY-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1 ZINC000014609537 569260622 /nfs/dbraw/zinc/26/06/22/569260622.db2.gz LFZIUVDYHNPCME-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014609568 569260669 /nfs/dbraw/zinc/26/06/69/569260669.db2.gz SNCOYSZSGNVHMD-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)c1 ZINC000014609573 569260626 /nfs/dbraw/zinc/26/06/26/569260626.db2.gz GSLODRHWJXPKGB-UHFFFAOYSA-N 0 0 416.868 5.043 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)c(C)c1 ZINC000014609575 569260639 /nfs/dbraw/zinc/26/06/39/569260639.db2.gz WUJVHBKBRAISOB-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1C ZINC000014609577 569260598 /nfs/dbraw/zinc/26/05/98/569260598.db2.gz RTLZYPFUYRSDPN-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)c1C ZINC000014609580 569260635 /nfs/dbraw/zinc/26/06/35/569260635.db2.gz PHRFGAAZLTVHCC-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014609581 569260648 /nfs/dbraw/zinc/26/06/48/569260648.db2.gz BYFJNACEHYKGKE-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000014609582 569260629 /nfs/dbraw/zinc/26/06/29/569260629.db2.gz PVXMRSFWEQYAST-UHFFFAOYSA-N 0 0 402.885 5.402 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000014609585 569260608 /nfs/dbraw/zinc/26/06/08/569260608.db2.gz PDSOAXFYQUNCEA-UHFFFAOYSA-N 0 0 418.884 5.239 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 ZINC000014609617 569260715 /nfs/dbraw/zinc/26/07/15/569260715.db2.gz HEYAJCSGFANBNS-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c1 ZINC000014609623 569260752 /nfs/dbraw/zinc/26/07/52/569260752.db2.gz BGBKOHNKCTZBAY-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c1 ZINC000014609637 569260768 /nfs/dbraw/zinc/26/07/68/569260768.db2.gz WRJBADVENZNRRF-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1 ZINC000014609639 569260750 /nfs/dbraw/zinc/26/07/50/569260750.db2.gz LNTJWUJDDAQEIL-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1 ZINC000014609668 569260748 /nfs/dbraw/zinc/26/07/48/569260748.db2.gz RYHFUGARRIYCKJ-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1 ZINC000014609685 569260714 /nfs/dbraw/zinc/26/07/14/569260714.db2.gz LDPWIEJVVLLNBA-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609722 569260755 /nfs/dbraw/zinc/26/07/55/569260755.db2.gz AOIRNICKVLOJPI-UHFFFAOYSA-N 0 0 406.848 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1Cl ZINC000014609737 569260735 /nfs/dbraw/zinc/26/07/35/569260735.db2.gz ZBIAZVAKWLDTDC-UHFFFAOYSA-N 0 0 406.848 5.288 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609739 569260713 /nfs/dbraw/zinc/26/07/13/569260713.db2.gz HLZRDODFRSMCDY-UHFFFAOYSA-N 0 0 406.848 5.288 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2)cc1 ZINC000014609806 569260747 /nfs/dbraw/zinc/26/07/47/569260747.db2.gz ZMWTZAQFHYGPAB-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2)cc1 ZINC000014609835 569260726 /nfs/dbraw/zinc/26/07/26/569260726.db2.gz CGEFMKXYBCKUPJ-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1 ZINC000014609839 569260753 /nfs/dbraw/zinc/26/07/53/569260753.db2.gz NUZKUPMTWQYRIR-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609908 569260740 /nfs/dbraw/zinc/26/07/40/569260740.db2.gz WGMLIYIOCPPTKE-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609926 569260757 /nfs/dbraw/zinc/26/07/57/569260757.db2.gz DBCAATZVACISPI-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609928 569260770 /nfs/dbraw/zinc/26/07/70/569260770.db2.gz FUNCQPBHTAYTIV-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cccc(Cl)c2)cc1 ZINC000014610002 569260724 /nfs/dbraw/zinc/26/07/24/569260724.db2.gz DAKBPDVUWVVLGR-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)nn2-c2cccc(Cl)c2)cc1 ZINC000014610020 569260716 /nfs/dbraw/zinc/26/07/16/569260716.db2.gz FCLBZXFCCLUYRL-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cccc(Cl)c2)cc1 ZINC000014610022 569260741 /nfs/dbraw/zinc/26/07/41/569260741.db2.gz ALFJTCIODCWDOQ-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccccc2Cl)cc1 ZINC000014610094 569260894 /nfs/dbraw/zinc/26/08/94/569260894.db2.gz YUULAQWRRRXGED-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)nn2-c2ccccc2Cl)cc1 ZINC000014610112 569260852 /nfs/dbraw/zinc/26/08/52/569260852.db2.gz FBUQWZJYIWRDSU-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccccc2Cl)cc1 ZINC000014610114 569260853 /nfs/dbraw/zinc/26/08/53/569260853.db2.gz GPFVBUHKDRQRSB-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc3ccccc32)cc1 ZINC000014610618 559170942 /nfs/dbraw/zinc/17/09/42/559170942.db2.gz DFMBHIXPJAYKOQ-UHFFFAOYSA-N 0 0 408.461 5.300 50 0 HKAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(F)cc2)cc1 ZINC000014610680 559170955 /nfs/dbraw/zinc/17/09/55/559170955.db2.gz SWGJQPCJZYPZQC-UHFFFAOYSA-N 0 0 418.472 5.275 50 0 HKAARN CC[C@@H](C(=O)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1)c1ccccc1 ZINC000014610688 559170947 /nfs/dbraw/zinc/17/09/47/559170947.db2.gz SFMGIZBZTSBMSY-LJQANCHMSA-N 0 0 404.445 5.123 50 0 HKAARN CC[C@H](C(=O)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1)c1ccccc1 ZINC000014610690 559170931 /nfs/dbraw/zinc/17/09/31/559170931.db2.gz SFMGIZBZTSBMSY-IBGZPJMESA-N 0 0 404.445 5.123 50 0 HKAARN O=C(c1cccc2ccccc21)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610700 559170944 /nfs/dbraw/zinc/17/09/44/559170944.db2.gz YLTOSDXFNKYLEJ-UHFFFAOYSA-N 0 0 412.424 5.131 50 0 HKAARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1cccc2ccccc21 ZINC000014610947 559171065 /nfs/dbraw/zinc/17/10/65/559171065.db2.gz ARXUCHHLALMFLY-UHFFFAOYSA-N 0 0 424.460 5.001 50 0 HKAARN CCCCCC(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610961 559171031 /nfs/dbraw/zinc/17/10/31/559171031.db2.gz IKMPNHNSCMMXSD-UHFFFAOYSA-N 0 0 417.307 5.133 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)Cc2ccccc2)cc1 ZINC000014611099 559171153 /nfs/dbraw/zinc/17/11/53/559171153.db2.gz NMPVDFWDGRXEPD-UHFFFAOYSA-N 0 0 400.482 5.157 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)CCc2ccccc2)cc1 ZINC000014611106 559171191 /nfs/dbraw/zinc/17/11/91/559171191.db2.gz FXHPEGMLRFWMNC-UHFFFAOYSA-N 0 0 414.509 5.547 50 0 HKAARN Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000014611110 559171163 /nfs/dbraw/zinc/17/11/63/559171163.db2.gz IDMYZWMRCMVNFP-UHFFFAOYSA-N 0 0 400.482 5.271 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(F)cc2)cc1 ZINC000014611112 559171217 /nfs/dbraw/zinc/17/12/17/559171217.db2.gz KLMWTLBXKVCCJZ-UHFFFAOYSA-N 0 0 404.445 5.101 50 0 HKAARN Cc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1ccc(C(C)C)cc1 ZINC000014611122 559171168 /nfs/dbraw/zinc/17/11/68/559171168.db2.gz KCDLKUHENHTFSK-UHFFFAOYSA-N 0 0 400.482 5.271 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2F)cc1 ZINC000014611124 559171220 /nfs/dbraw/zinc/17/12/20/559171220.db2.gz UHUHHADWMHXMFR-UHFFFAOYSA-N 0 0 404.445 5.101 50 0 HKAARN Cc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(C(C)C)cc2)c1 ZINC000014611128 559171184 /nfs/dbraw/zinc/17/11/84/559171184.db2.gz CNSSHGFMFRCPDP-UHFFFAOYSA-N 0 0 400.482 5.271 50 0 HKAARN O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611176 559171165 /nfs/dbraw/zinc/17/11/65/559171165.db2.gz BLTWGYDOSURWRB-UHFFFAOYSA-N 0 0 406.873 5.077 50 0 HKAARN CCCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611225 559171205 /nfs/dbraw/zinc/17/12/05/559171205.db2.gz BJHSCWKIUBIKMY-UHFFFAOYSA-N 0 0 417.307 5.133 50 0 HKAARN CCCC[C@@H](CC)COC(=O)CCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000014614364 558662016 /nfs/dbraw/zinc/66/20/16/558662016.db2.gz ZDWGXBPVPXVXMQ-ZRZAMGCNSA-N 0 0 412.655 7.236 50 0 HKAARN CCCn1c(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)nc2ccccc21 ZINC000014626252 558662265 /nfs/dbraw/zinc/66/22/65/558662265.db2.gz XJEMYZWAYCPACS-UHFFFAOYSA-N 0 0 412.852 5.455 50 0 HKAARN CCCn1c2ccccc2nc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014626279 569260862 /nfs/dbraw/zinc/26/08/62/569260862.db2.gz XXQHTIXZHQWFNP-UHFFFAOYSA-N 0 0 418.111 5.707 50 0 HKAARN O=C(Nc1ccc(OC(=O)c2ccc3ccccc3n2)cc1)c1ccccc1Cl ZINC000014630334 569260900 /nfs/dbraw/zinc/26/09/00/569260900.db2.gz PDKRYOBIVRZGRD-UHFFFAOYSA-N 0 0 402.837 5.360 50 0 HKAARN COc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)cc1Cl ZINC000014633814 569261112 /nfs/dbraw/zinc/26/11/12/569261112.db2.gz CUMLYLUOYUAZIZ-UHFFFAOYSA-N 0 0 412.898 5.708 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(F)c(Cl)cc1Cl ZINC000014634631 569261145 /nfs/dbraw/zinc/26/11/45/569261145.db2.gz RYZQVSKPYLZBIT-UHFFFAOYSA-N 0 0 414.314 5.529 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014634771 558662446 /nfs/dbraw/zinc/66/24/46/558662446.db2.gz XHELQORSTMGGRR-UHFFFAOYSA-N 0 0 417.968 5.830 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000014635043 569261152 /nfs/dbraw/zinc/26/11/52/569261152.db2.gz ODOHQUBVCCMFPD-UHFFFAOYSA-N 0 0 419.333 5.399 50 0 HKAARN CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c2ccccc2n1 ZINC000014635644 558662704 /nfs/dbraw/zinc/66/27/04/558662704.db2.gz KYHNYMVRIDGCRS-UHFFFAOYSA-N 0 0 404.901 5.509 50 0 HKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ncc(Cl)c(Cl)c1Cl ZINC000014635646 559171678 /nfs/dbraw/zinc/17/16/78/559171678.db2.gz IPUFKAUDJQEINZ-OAHLLOKOSA-N 0 0 415.704 5.762 50 0 HKAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ncc(Cl)c(Cl)c1Cl ZINC000014635648 559171636 /nfs/dbraw/zinc/17/16/36/559171636.db2.gz IPUFKAUDJQEINZ-HNNXBMFYSA-N 0 0 415.704 5.762 50 0 HKAARN COc1cc2ccccc2cc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000014636136 558662730 /nfs/dbraw/zinc/66/27/30/558662730.db2.gz RXOKRAZZWYEGFA-DEOSSOPVSA-N 0 0 405.494 5.137 50 0 HKAARN COc1cc2ccccc2cc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000014636138 558662734 /nfs/dbraw/zinc/66/27/34/558662734.db2.gz RXOKRAZZWYEGFA-XMMPIXPASA-N 0 0 405.494 5.137 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 ZINC000014637100 558662656 /nfs/dbraw/zinc/66/26/56/558662656.db2.gz BFZLQKTXSCWOKM-DEOSSOPVSA-N 0 0 410.473 5.323 50 0 HKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 ZINC000014637102 558662737 /nfs/dbraw/zinc/66/27/37/558662737.db2.gz BFZLQKTXSCWOKM-XMMPIXPASA-N 0 0 410.473 5.323 50 0 HKAARN O=C(OCc1csc(-c2ccsc2)n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000014641774 559171623 /nfs/dbraw/zinc/17/16/23/559171623.db2.gz ZXZSXYGUVOFTAY-UHFFFAOYSA-N 0 0 415.467 5.540 50 0 HKAARN C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/CC(C)=CCc1[nH]c(OC)c(OC)c(=O)c1C ZINC000014655907 558662929 /nfs/dbraw/zinc/66/29/29/558662929.db2.gz BBLGCDSLCDDALX-LKGBESRRSA-N 0 0 415.574 5.457 50 0 in-vitro,metabolite HKAARN CC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3)o2)nc1-c1ccccc1 ZINC000014657808 558662910 /nfs/dbraw/zinc/66/29/10/558662910.db2.gz PYEKDUZTXWGQQO-UHFFFAOYSA-N 0 0 418.474 5.437 50 0 HKAARN CCCCc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 ZINC000014661130 569262467 /nfs/dbraw/zinc/26/24/67/569262467.db2.gz HXLVATBYWBNCKY-UHFFFAOYSA-N 0 0 409.540 5.047 50 0 HKAARN CCOc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(Br)c1OC ZINC000014668890 569262470 /nfs/dbraw/zinc/26/24/70/569262470.db2.gz WDFKXOALQAETEE-UHFFFAOYSA-N 0 0 412.711 5.379 50 0 HKAARN CCCCCCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000014668963 558662862 /nfs/dbraw/zinc/66/28/62/558662862.db2.gz RVRVQJLZROQZFR-UHFFFAOYSA-N 0 0 417.549 6.520 50 0 HKAARN CC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000014668964 558662954 /nfs/dbraw/zinc/66/29/54/558662954.db2.gz LRULARZCRBSOLQ-UHFFFAOYSA-N 0 0 403.522 5.985 50 0 HKAARN O=C(Nc1ccc(OCCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 ZINC000014668973 558662957 /nfs/dbraw/zinc/66/29/57/558662957.db2.gz CFKIXKQEYSKDQB-UHFFFAOYSA-N 0 0 423.512 6.139 50 0 HKAARN CCCCCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000014668976 558662854 /nfs/dbraw/zinc/66/28/54/558662854.db2.gz KLANWBJFZSXRPA-UHFFFAOYSA-N 0 0 403.522 6.129 50 0 HKAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1 ZINC000014668995 558662857 /nfs/dbraw/zinc/66/28/57/558662857.db2.gz GOLZCTJEZAOGKV-FQEVSTJZSA-N 0 0 403.522 5.838 50 0 HKAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1 ZINC000014668997 558662904 /nfs/dbraw/zinc/66/29/04/558662904.db2.gz GOLZCTJEZAOGKV-HXUWFJFHSA-N 0 0 403.522 5.838 50 0 HKAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000014669042 569262480 /nfs/dbraw/zinc/26/24/80/569262480.db2.gz OYWJGFBMYUXTLA-UHFFFAOYSA-N 0 0 422.978 5.020 50 0 HKAARN CCN(C(=O)c1ccc(Br)cc1F)c1nc2cc(Cl)ccc2s1 ZINC000014671252 569262664 /nfs/dbraw/zinc/26/26/64/569262664.db2.gz UDZNPAVEDYXXCF-UHFFFAOYSA-N 0 0 413.699 5.518 50 0 HKAARN CCCCNc1nnc(SCc2csc(COc3ccc(F)cc3)n2)s1 ZINC000014672067 558663089 /nfs/dbraw/zinc/66/30/89/558663089.db2.gz NOCCWRFXKRCAPN-UHFFFAOYSA-N 0 0 410.565 5.217 50 0 HKAARN COc1ccc2cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672857 558663128 /nfs/dbraw/zinc/66/31/28/558663128.db2.gz INZDRZBQZRIKIF-HXUWFJFHSA-N 0 0 410.901 5.005 50 0 HKAARN COc1ccc2cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672858 558663071 /nfs/dbraw/zinc/66/30/71/558663071.db2.gz INZDRZBQZRIKIF-FQEVSTJZSA-N 0 0 410.901 5.005 50 0 HKAARN COc1ccc2cc(CN3CCC[C@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672880 559172024 /nfs/dbraw/zinc/17/20/24/559172024.db2.gz PUHDXFXVFFVIDC-NRFANRHFSA-N 0 0 412.917 5.251 50 0 HKAARN COc1ccc2cc(CN3CCC[C@@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672881 559172060 /nfs/dbraw/zinc/17/20/60/559172060.db2.gz PUHDXFXVFFVIDC-OAQYLSRUSA-N 0 0 412.917 5.251 50 0 HKAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1 ZINC000014673192 558663137 /nfs/dbraw/zinc/66/31/37/558663137.db2.gz KTADGWLOUTZBCP-UHFFFAOYSA-N 0 0 403.294 5.100 50 0 HKAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1Cl ZINC000014673797 558663091 /nfs/dbraw/zinc/66/30/91/558663091.db2.gz LXNXWCFJEXCURI-UHFFFAOYSA-N 0 0 422.868 5.459 50 0 HKAARN O=C(Nc1ccccc1SCc1ccsc1)c1cncc(Br)c1 ZINC000014673803 558663080 /nfs/dbraw/zinc/66/30/80/558663080.db2.gz QHRCXPZRNLLCNX-UHFFFAOYSA-N 0 0 405.342 5.450 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1 ZINC000014674005 558663295 /nfs/dbraw/zinc/66/32/95/558663295.db2.gz FNCCXOHNEYHRGC-UHFFFAOYSA-N 0 0 413.333 5.928 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000014674336 558663288 /nfs/dbraw/zinc/66/32/88/558663288.db2.gz OPJZVIVWHDRADM-UHFFFAOYSA-N 0 0 400.551 5.919 50 0 HKAARN Fc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2-c2ccncc2)cc1 ZINC000014676183 559172004 /nfs/dbraw/zinc/17/20/04/559172004.db2.gz DSJLBBARBGQLPU-UHFFFAOYSA-N 0 0 419.441 5.009 50 0 HKAARN Cc1csc(N(C(=O)c2cccc(OCc3csc(C)n3)c2)c2ccccc2)n1 ZINC000014678894 559176943 /nfs/dbraw/zinc/17/69/43/559176943.db2.gz KNIVSSNCGWKYTA-UHFFFAOYSA-N 0 0 421.547 5.774 50 0 HKAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000014678964 558663497 /nfs/dbraw/zinc/66/34/97/558663497.db2.gz AJCWBBRBOKQIQG-UHFFFAOYSA-N 0 0 424.932 5.342 50 0 HKAARN O=C(Nc1ccccc1OC(F)(F)F)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014679354 559177047 /nfs/dbraw/zinc/17/70/47/559177047.db2.gz NPVFTDBBKNWYBD-UHFFFAOYSA-N 0 0 420.001 5.846 50 0 HKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014689012 560554281 /nfs/dbraw/zinc/55/42/81/560554281.db2.gz ZLWIDHGWCAVRDK-UHFFFAOYSA-N 0 0 417.334 5.495 50 0 HKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014689103 560554254 /nfs/dbraw/zinc/55/42/54/560554254.db2.gz LXAHZXJLSGETFF-UHFFFAOYSA-N 0 0 420.108 5.466 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(C(F)(F)F)cc1 ZINC000014695437 569267726 /nfs/dbraw/zinc/26/77/26/569267726.db2.gz IOHIFWDYQHCRJI-UHFFFAOYSA-N 0 0 413.421 5.241 50 0 HKAARN C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O ZINC000014698598 558663935 /nfs/dbraw/zinc/66/39/35/558663935.db2.gz PXUXDMOFOAHAQX-JTQLQIEISA-N 0 0 415.927 5.149 50 0 HKAARN C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O ZINC000014698599 558663919 /nfs/dbraw/zinc/66/39/19/558663919.db2.gz PXUXDMOFOAHAQX-SNVBAGLBSA-N 0 0 415.927 5.149 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000014701484 558663885 /nfs/dbraw/zinc/66/38/85/558663885.db2.gz KAPIVBKRQCWOOR-OAHLLOKOSA-N 0 0 407.901 5.439 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000014701485 558663942 /nfs/dbraw/zinc/66/39/42/558663942.db2.gz KAPIVBKRQCWOOR-HNNXBMFYSA-N 0 0 407.901 5.439 50 0 HKAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000014701852 560848369 /nfs/dbraw/zinc/84/83/69/560848369.db2.gz ONXVCTHDQSTKEM-DEOSSOPVSA-N 0 0 413.546 5.081 50 0 HKAARN O=C(NCc1ccccc1Cn1cccn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000014701853 560636455 /nfs/dbraw/zinc/63/64/55/560636455.db2.gz ONXVCTHDQSTKEM-XMMPIXPASA-N 0 0 413.546 5.081 50 0 HKAARN CCN(C(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1nc2cc(Cl)ccc2s1 ZINC000014702063 558664134 /nfs/dbraw/zinc/66/41/34/558664134.db2.gz YLSCTZFXENAVFF-UHFFFAOYSA-N 0 0 420.790 5.241 50 0 HKAARN O=C(OCc1csc(-c2ccsc2)n1)c1ccc(OCc2cscn2)cc1 ZINC000014702566 558664156 /nfs/dbraw/zinc/66/41/56/558664156.db2.gz DFMKYELQGXNPMT-UHFFFAOYSA-N 0 0 414.533 5.264 50 0 HKAARN C[C@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703313 558664309 /nfs/dbraw/zinc/66/43/09/558664309.db2.gz IHUVTSWHWVBBKE-CYBMUJFWSA-N 0 0 411.477 5.123 50 0 HKAARN C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000014703314 558664263 /nfs/dbraw/zinc/66/42/63/558664263.db2.gz IHUVTSWHWVBBKE-ZDUSSCGKSA-N 0 0 411.477 5.123 50 0 HKAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014704178 558664259 /nfs/dbraw/zinc/66/42/59/558664259.db2.gz RFGZPAFRLXZZAQ-HXUWFJFHSA-N 0 0 423.588 5.045 50 0 HKAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000014704179 558664302 /nfs/dbraw/zinc/66/43/02/558664302.db2.gz RFGZPAFRLXZZAQ-FQEVSTJZSA-N 0 0 423.588 5.045 50 0 HKAARN Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)sc2cccc(F)c12 ZINC000014704192 558664291 /nfs/dbraw/zinc/66/42/91/558664291.db2.gz KVGIMTYZEFEMDA-LJQANCHMSA-N 0 0 413.564 6.260 50 0 HKAARN Cc1c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)sc2cccc(F)c12 ZINC000014704193 558664327 /nfs/dbraw/zinc/66/43/27/558664327.db2.gz KVGIMTYZEFEMDA-IBGZPJMESA-N 0 0 413.564 6.260 50 0 HKAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2cc3ccccc3nc2Cl)c1Cl ZINC000014704510 558664251 /nfs/dbraw/zinc/66/42/51/558664251.db2.gz SUZFAZMNDIDISS-UHFFFAOYSA-N 0 0 417.079 5.183 50 0 HKAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000014704698 569269494 /nfs/dbraw/zinc/26/94/94/569269494.db2.gz IBBWWAJXDFXDJF-UHFFFAOYSA-N 0 0 402.519 5.054 50 0 HKAARN O=C(Nc1ccccc1-c1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014704882 560657175 /nfs/dbraw/zinc/65/71/75/560657175.db2.gz ZSOCVBMHGQKIPJ-UHFFFAOYSA-N 0 0 415.358 6.705 50 0 HKAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1 ZINC000014704911 569269501 /nfs/dbraw/zinc/26/95/01/569269501.db2.gz IQZPOIYHAVHZMF-CYBMUJFWSA-N 0 0 402.313 5.584 50 0 HKAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1 ZINC000014704912 569269532 /nfs/dbraw/zinc/26/95/32/569269532.db2.gz IQZPOIYHAVHZMF-ZDUSSCGKSA-N 0 0 402.313 5.584 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000014706809 560723881 /nfs/dbraw/zinc/72/38/81/560723881.db2.gz IAVWPJSVIDCKET-UHFFFAOYSA-N 0 0 420.509 5.062 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)OCc3cc4ccc(C)cc4nc3Cl)o2)cc1 ZINC000014706856 558664444 /nfs/dbraw/zinc/66/44/44/558664444.db2.gz UGNVAXCJGFVOSS-UHFFFAOYSA-N 0 0 420.896 5.836 50 0 HKAARN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000014707332 569269668 /nfs/dbraw/zinc/26/96/68/569269668.db2.gz 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ZINC000014710040 558664533 /nfs/dbraw/zinc/66/45/33/558664533.db2.gz NPSYDNHLKHFZNL-UHFFFAOYSA-N 0 0 403.429 5.516 50 0 HKAARN COc1ccccc1-c1cc(COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)on1 ZINC000014710114 560729328 /nfs/dbraw/zinc/72/93/28/560729328.db2.gz AMLRVNYUFXOUML-VQHVLOKHSA-N 0 0 404.249 5.414 50 0 HKAARN COc1cc(C)c(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1OC ZINC000014711929 558664732 /nfs/dbraw/zinc/66/47/32/558664732.db2.gz CLRCKEZIPUPVSF-UHFFFAOYSA-N 0 0 407.535 5.474 50 0 HKAARN CC(C)n1ncc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cnc21 ZINC000014711931 569270376 /nfs/dbraw/zinc/27/03/76/569270376.db2.gz LYDQCSCKMGFIRZ-UHFFFAOYSA-N 0 0 413.506 5.541 50 0 HKAARN COc1cc(OC)c(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1Cl ZINC000014716293 569270595 /nfs/dbraw/zinc/27/05/95/569270595.db2.gz UWDCSAGRZGFZFJ-UHFFFAOYSA-N 0 0 416.930 5.279 50 0 HKAARN CCCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)c1ccccc1 ZINC000014717404 558664831 /nfs/dbraw/zinc/66/48/31/558664831.db2.gz NRKBKXLLQQLPPX-UHFFFAOYSA-N 0 0 412.489 5.243 50 0 HKAARN Cc1cc(-c2cc(C(=O)Oc3cccc(F)c3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014729024 558665126 /nfs/dbraw/zinc/66/51/26/558665126.db2.gz AYYYFAUNLMROTI-UHFFFAOYSA-N 0 0 409.486 5.716 50 0 HKAARN CCc1ccc(Nc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)cc1 ZINC000014729479 558665066 /nfs/dbraw/zinc/66/50/66/558665066.db2.gz OCQXVIDOUGDCJS-UHFFFAOYSA-N 0 0 424.555 5.014 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)c1ccccc1 ZINC000014736143 560747356 /nfs/dbraw/zinc/74/73/56/560747356.db2.gz MMYUOUTUXNSVAF-UHFFFAOYSA-N 0 0 424.500 5.442 50 0 HKAARN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OCc1c(C)noc1C ZINC000014739299 558666298 /nfs/dbraw/zinc/66/62/98/558666298.db2.gz BPELNVYLUIOVKC-UHFFFAOYSA-N 0 0 408.498 5.563 50 0 HKAARN Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2c1 ZINC000014739822 558666519 /nfs/dbraw/zinc/66/65/19/558666519.db2.gz IAVDEGWDDGMMFE-UHFFFAOYSA-N 0 0 411.490 5.105 50 0 HKAARN Cc1ccc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2c1 ZINC000014739837 558666418 /nfs/dbraw/zinc/66/64/18/558666418.db2.gz FUJLGFKEQSWRMP-UHFFFAOYSA-N 0 0 407.109 5.866 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1N1CCCCC1 ZINC000014771505 558672212 /nfs/dbraw/zinc/67/22/12/558672212.db2.gz KTLGDUJQKOZCRR-UHFFFAOYSA-N 0 0 411.452 5.181 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000014771825 560779715 /nfs/dbraw/zinc/77/97/15/560779715.db2.gz RGBLRKBCFIOPCY-UHFFFAOYSA-N 0 0 412.917 5.872 50 0 HKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000014771838 558672202 /nfs/dbraw/zinc/67/22/02/558672202.db2.gz UOZSJQYOVQAXAI-UHFFFAOYSA-N 0 0 414.452 5.497 50 0 HKAARN Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3SC(F)F)c2cc1C ZINC000014773223 560780087 /nfs/dbraw/zinc/78/00/87/560780087.db2.gz OSUUBFQKOABPHO-UHFFFAOYSA-N 0 0 419.449 5.089 50 0 HKAARN CCc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc12 ZINC000014775882 558672350 /nfs/dbraw/zinc/67/23/50/558672350.db2.gz ZDLZPYYUUPAXMO-UHFFFAOYSA-N 0 0 423.852 5.202 50 0 HKAARN CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 ZINC000014776468 558672383 /nfs/dbraw/zinc/67/23/83/558672383.db2.gz SJNMPXAWWIBXFT-QFIPXVFZSA-N 0 0 422.916 5.317 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ncc(Cc2ccccc2)s1 ZINC000014779352 560847307 /nfs/dbraw/zinc/84/73/07/560847307.db2.gz FZYKPPDUZLGXNU-UHFFFAOYSA-N 0 0 407.470 5.099 50 0 HKAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)CCc3ncc(-c4ccccc4)o3)n2c1 ZINC000014780098 558672539 /nfs/dbraw/zinc/67/25/39/558672539.db2.gz OJKZCKOORBJSMR-UHFFFAOYSA-N 0 0 422.488 5.536 50 0 HKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000014780153 560847814 /nfs/dbraw/zinc/84/78/14/560847814.db2.gz BUGSCBFHHXLQEL-UHFFFAOYSA-N 0 0 422.488 5.536 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CCOc2ccccc21 ZINC000014780415 558672633 /nfs/dbraw/zinc/67/26/33/558672633.db2.gz XFQDIWWLKIDVLH-QGZVFWFLSA-N 0 0 417.292 5.221 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CCOc2ccccc21 ZINC000014780418 558672531 /nfs/dbraw/zinc/67/25/31/558672531.db2.gz XFQDIWWLKIDVLH-KRWDZBQOSA-N 0 0 417.292 5.221 50 0 HKAARN O=C(Oc1ccccc1-c1ccccc1)c1cccc(OCCOc2ccccc2)c1 ZINC000014780831 558672560 /nfs/dbraw/zinc/67/25/60/558672560.db2.gz UNBHMRGLRVOUOJ-UHFFFAOYSA-N 0 0 410.469 6.031 50 0 HKAARN CC1CCN(c2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)CC1 ZINC000014780885 535285632 /nfs/dbraw/zinc/28/56/32/535285632.db2.gz DHITWRFUDQDYGV-UHFFFAOYSA-N 0 0 407.489 5.288 50 0 HKAARN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@H](c1ccc(O)cc1O)C2=O ZINC000014780900 291287615 /nfs/dbraw/zinc/28/76/15/291287615.db2.gz QUBRRXBPXPHDJO-OAQYLSRUSA-N 0 0 408.494 5.180 50 0 biogenic,in-vitro HKAARN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@@H](c1ccc(O)cc1O)C2=O ZINC000014780903 291287569 /nfs/dbraw/zinc/28/75/69/291287569.db2.gz QUBRRXBPXPHDJO-NRFANRHFSA-N 0 0 408.494 5.180 50 0 biogenic,in-vitro HKAARN CCCCCCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000014783582 558672508 /nfs/dbraw/zinc/67/25/08/558672508.db2.gz DMUWTGVCVYTUSC-UHFFFAOYSA-N 0 0 403.522 6.477 50 0 HKAARN Cc1cc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(C)C)cc1Cl ZINC000014785432 560848419 /nfs/dbraw/zinc/84/84/19/560848419.db2.gz MZSFCEFEHBXALV-UHFFFAOYSA-N 0 0 417.908 5.369 50 0 HKAARN COC(=O)c1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000014788139 558672723 /nfs/dbraw/zinc/67/27/23/558672723.db2.gz DSYUJFUWDIDMHM-UHFFFAOYSA-N 0 0 418.474 5.159 50 0 HKAARN COc1cc(C(C)=O)ccc1OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014789481 560851195 /nfs/dbraw/zinc/85/11/95/560851195.db2.gz ODKDVEIXMWJWGM-UHFFFAOYSA-N 0 0 409.052 5.126 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2cccc(C(F)(F)F)c2)s1 ZINC000014789990 560851212 /nfs/dbraw/zinc/85/12/12/560851212.db2.gz MBDDGKRPHAMTJX-UHFFFAOYSA-N 0 0 404.457 5.305 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)c1 ZINC000014791371 560851356 /nfs/dbraw/zinc/85/13/56/560851356.db2.gz UAKJQZPDTIKDPT-UHFFFAOYSA-N 0 0 420.943 5.212 50 0 HKAARN CCOc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)cc1 ZINC000014792066 558673017 /nfs/dbraw/zinc/67/30/17/558673017.db2.gz PSHDDFUSOYDHFA-UHFFFAOYSA-N 0 0 420.490 5.174 50 0 HKAARN CCOc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000014792106 560851369 /nfs/dbraw/zinc/85/13/69/560851369.db2.gz KJMONUUIFNJMIL-XMMPIXPASA-N 0 0 418.493 5.084 50 0 HKAARN CCOc1ccc(Oc2ccc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000014792107 560851408 /nfs/dbraw/zinc/85/14/08/560851408.db2.gz KJMONUUIFNJMIL-DEOSSOPVSA-N 0 0 418.493 5.084 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000014793430 558672987 /nfs/dbraw/zinc/67/29/87/558672987.db2.gz DRFVQCIMYKBDNR-UHFFFAOYSA-N 0 0 411.461 5.121 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000014793469 558672965 /nfs/dbraw/zinc/67/29/65/558672965.db2.gz KMMHIQXEPXISGB-UHFFFAOYSA-N 0 0 417.490 5.183 50 0 HKAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000014793536 560850999 /nfs/dbraw/zinc/85/09/99/560850999.db2.gz WTVUFCISQQIFCG-UHFFFAOYSA-N 0 0 424.884 5.138 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1Br ZINC000014794023 558673188 /nfs/dbraw/zinc/67/31/88/558673188.db2.gz IRZKSBNMSRBJSQ-IBGZPJMESA-N 0 0 419.322 5.492 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1Br ZINC000014794024 558673071 /nfs/dbraw/zinc/67/30/71/558673071.db2.gz IRZKSBNMSRBJSQ-LJQANCHMSA-N 0 0 419.322 5.492 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)Oc3ccc(-c4nnco4)cc3)c2oc1-c1ccccc1 ZINC000014794492 558673117 /nfs/dbraw/zinc/67/31/17/558673117.db2.gz IHVCNOXUTXEZPE-UHFFFAOYSA-N 0 0 424.412 5.038 50 0 HKAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(C)cc3Br)cc2)cs1 ZINC000014798061 558673157 /nfs/dbraw/zinc/67/31/57/558673157.db2.gz RWBPMNSZYDRQRP-UHFFFAOYSA-N 0 0 417.328 5.354 50 0 HKAARN Cc1cc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000014800855 560852031 /nfs/dbraw/zinc/85/20/31/560852031.db2.gz YOKNCQVYQSZSOP-JOCHJYFZSA-N 0 0 414.509 5.306 50 0 HKAARN Cc1cc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000014800857 560852054 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COc1ccc2c(c1)c(C(=O)OCc1coc(-c3ccccc3)n1)c(C)n2C1CC1 ZINC000014802810 558673236 /nfs/dbraw/zinc/67/32/36/558673236.db2.gz BVCSDSIDKTVUBZ-UHFFFAOYSA-N 0 0 402.450 5.305 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)OCc3csc(-c4ccc(F)cc4)n3)o2)cc1 ZINC000014802998 558673317 /nfs/dbraw/zinc/67/33/17/558673317.db2.gz IEKOTMNRMOCDMC-UHFFFAOYSA-N 0 0 422.481 5.589 50 0 HKAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(SC(F)F)cc1 ZINC000014803575 560852225 /nfs/dbraw/zinc/85/22/25/560852225.db2.gz IPQHIDFFCVDXPW-UHFFFAOYSA-N 0 0 410.442 5.526 50 0 HKAARN CCc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 ZINC000014806818 524058344 /nfs/dbraw/zinc/05/83/44/524058344.db2.gz PNRYNABNALZAEB-UHFFFAOYSA-N 0 0 404.388 5.154 50 0 HKAARN O=C(CSc1n[nH]c(C=Cc2cccs2)n1)Nc1ccc(SC(F)F)cc1 ZINC000014809465 558673627 /nfs/dbraw/zinc/67/36/27/558673627.db2.gz LQPAZEYNTOQEHP-BQYQJAHWSA-N 0 0 424.523 5.082 50 0 HKAARN COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000014809867 523271788 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CCOc1ccc(Oc2ccccc2NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 ZINC000014899762 558678376 /nfs/dbraw/zinc/67/83/76/558678376.db2.gz DOHSPUCJPDRISM-UHFFFAOYSA-N 0 0 416.481 5.028 50 0 HKAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2n1C(F)F ZINC000014902427 558678871 /nfs/dbraw/zinc/67/88/71/558678871.db2.gz WKIKGIOEUZBUNJ-UHFFFAOYSA-N 0 0 414.481 5.234 50 0 HKAARN CCOc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1 ZINC000014902856 568454423 /nfs/dbraw/zinc/45/44/23/568454423.db2.gz DRXRNHSZOFOEPK-UHFFFAOYSA-N 0 0 402.426 5.172 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1 ZINC000014902872 558678909 /nfs/dbraw/zinc/67/89/09/558678909.db2.gz NYCMVBDVQHSBQJ-UHFFFAOYSA-N 0 0 414.481 6.071 50 0 HKAARN FC(F)n1c(CSc2nc(C(F)(F)F)nc3ccccc32)nc2ccccc21 ZINC000014902882 568454431 /nfs/dbraw/zinc/45/44/31/568454431.db2.gz IYYFIDXOWSQJFK-UHFFFAOYSA-N 0 0 410.371 5.686 50 0 HKAARN O=C(OCc1nc2ccccc2n1C(F)F)c1ccc2noc(-c3ccccc3)c2c1 ZINC000014902958 558678872 /nfs/dbraw/zinc/67/88/72/558678872.db2.gz 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ZINC000014911517 568455295 /nfs/dbraw/zinc/45/52/95/568455295.db2.gz JVTWOIVPKQLTBN-UHFFFAOYSA-N 0 0 407.720 5.787 50 0 HKAARN C[C@@H]1Sc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2NC1=O ZINC000014912172 558679316 /nfs/dbraw/zinc/67/93/16/558679316.db2.gz VBJLDAAICHOYBY-ZDUSSCGKSA-N 0 0 415.946 5.015 50 0 HKAARN C[C@H]1Sc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2NC1=O ZINC000014912173 558679308 /nfs/dbraw/zinc/67/93/08/558679308.db2.gz VBJLDAAICHOYBY-CYBMUJFWSA-N 0 0 415.946 5.015 50 0 HKAARN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1CNc1ccccc1Br ZINC000014921208 568455584 /nfs/dbraw/zinc/45/55/84/568455584.db2.gz INWQDWLCWQIMHT-OQLLNIDSSA-N 0 0 423.719 5.208 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000014922399 568455502 /nfs/dbraw/zinc/45/55/02/568455502.db2.gz UZEWGRHVXGUQIP-WNXIRNOKSA-N 0 0 413.904 5.583 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1 ZINC000014946567 569286417 /nfs/dbraw/zinc/28/64/17/569286417.db2.gz HDOCUDLZEJKKPA-UHFFFAOYSA-N 0 0 401.491 5.368 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000014948262 558680379 /nfs/dbraw/zinc/68/03/79/558680379.db2.gz KLKSUVRUQUHKSI-HXUWFJFHSA-N 0 0 420.459 5.123 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000014948265 558680246 /nfs/dbraw/zinc/68/02/46/558680246.db2.gz KLKSUVRUQUHKSI-FQEVSTJZSA-N 0 0 420.459 5.123 50 0 HKAARN Cc1csc(CN(C)C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)n1 ZINC000014948577 558680222 /nfs/dbraw/zinc/68/02/22/558680222.db2.gz RIUPZETYWJNTDL-UHFFFAOYSA-N 0 0 411.914 5.109 50 0 HKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)c(C)c2)c(C)n1 ZINC000014949567 558680836 /nfs/dbraw/zinc/68/08/36/558680836.db2.gz VEYZBQSIESEIBE-SANMLTNESA-N 0 0 414.553 5.157 50 0 HKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)c(C)c2)c(C)n1 ZINC000014949570 558680695 /nfs/dbraw/zinc/68/06/95/558680695.db2.gz VEYZBQSIESEIBE-AREMUKBSSA-N 0 0 414.553 5.157 50 0 HKAARN Cc1cc(OCc2cc(C(=O)NCc3csc(C(C)C)n3)no2)cc(C)c1Cl ZINC000014951062 558681078 /nfs/dbraw/zinc/68/10/78/558681078.db2.gz HTBLUVZHCKTIQV-UHFFFAOYSA-N 0 0 419.934 5.034 50 0 HKAARN O=C(CC[C@@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000014951644 558681208 /nfs/dbraw/zinc/68/12/08/558681208.db2.gz TVHIRFWYCGJXJM-AWEZNQCLSA-N 0 0 410.461 5.038 50 0 HKAARN O=C(CC[C@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000014951649 558681188 /nfs/dbraw/zinc/68/11/88/558681188.db2.gz TVHIRFWYCGJXJM-CQSZACIVSA-N 0 0 410.461 5.038 50 0 HKAARN C[C@@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccccc1 ZINC000014953851 558681623 /nfs/dbraw/zinc/68/16/23/558681623.db2.gz NELMFENREXSBNE-MRXNPFEDSA-N 0 0 409.917 5.003 50 0 HKAARN C[C@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccccc1 ZINC000014953856 558681753 /nfs/dbraw/zinc/68/17/53/558681753.db2.gz NELMFENREXSBNE-INIZCTEOSA-N 0 0 409.917 5.003 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@@H]2c2nccs2)o1 ZINC000014954085 558681641 /nfs/dbraw/zinc/68/16/41/558681641.db2.gz VIUSMWIMCZURBF-LJQANCHMSA-N 0 0 408.502 5.373 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@H]2c2nccs2)o1 ZINC000014954089 558681697 /nfs/dbraw/zinc/68/16/97/558681697.db2.gz VIUSMWIMCZURBF-IBGZPJMESA-N 0 0 408.502 5.373 50 0 HKAARN CSc1ccc(-c2nc(CN3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1 ZINC000014954702 558681917 /nfs/dbraw/zinc/68/19/17/558681917.db2.gz HSRYELMEKNYAMK-UHFFFAOYSA-N 0 0 412.530 5.554 50 0 HKAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2nccs2)c(C)s1 ZINC000014955637 558682327 /nfs/dbraw/zinc/68/23/27/558682327.db2.gz GSUPMGALGSPXKM-UHFFFAOYSA-N 0 0 412.559 5.445 50 0 HKAARN COc1ccc(CCn2ccc(-c3sc(NCc4ccsc4)nc3C)n2)cc1 ZINC000014957373 558682956 /nfs/dbraw/zinc/68/29/56/558682956.db2.gz SMJFTIPNLNBPDF-UHFFFAOYSA-N 0 0 410.568 5.240 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000014958226 558683119 /nfs/dbraw/zinc/68/31/19/558683119.db2.gz ILNROYRPQCHFHO-JOCHJYFZSA-N 0 0 418.562 5.173 50 0 HKAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000014958231 558683123 /nfs/dbraw/zinc/68/31/23/558683123.db2.gz ILNROYRPQCHFHO-QFIPXVFZSA-N 0 0 418.562 5.173 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000014960179 558683589 /nfs/dbraw/zinc/68/35/89/558683589.db2.gz LHUPXNWSVOHVIE-XMMPIXPASA-N 0 0 412.533 6.097 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000014960183 558683504 /nfs/dbraw/zinc/68/35/04/558683504.db2.gz LHUPXNWSVOHVIE-DEOSSOPVSA-N 0 0 412.533 6.097 50 0 HKAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000014960342 568485976 /nfs/dbraw/zinc/48/59/76/568485976.db2.gz JLEYZHBPVZVBNX-OAHLLOKOSA-N 0 0 422.916 5.245 50 0 HKAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000014960346 568486013 /nfs/dbraw/zinc/48/60/13/568486013.db2.gz JLEYZHBPVZVBNX-HNNXBMFYSA-N 0 0 422.916 5.245 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000014960406 558683848 /nfs/dbraw/zinc/68/38/48/558683848.db2.gz QMXGSQGQBBGDEZ-UHFFFAOYSA-N 0 0 411.929 5.160 50 0 HKAARN CCOc1ccccc1-c1nc(CN2CCCC[C@@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961694 558684365 /nfs/dbraw/zinc/68/43/65/558684365.db2.gz HKBXEVAXXSCDHU-HSZRJFAPSA-N 0 0 406.526 5.785 50 0 HKAARN CCOc1ccccc1-c1nc(CN2CCCC[C@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961698 558684401 /nfs/dbraw/zinc/68/44/01/558684401.db2.gz HKBXEVAXXSCDHU-QHCPKHFHSA-N 0 0 406.526 5.785 50 0 HKAARN Cc1ccc([C@@H](C)CCN(C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962971 568487518 /nfs/dbraw/zinc/48/75/18/568487518.db2.gz NZDLBBVGKHFLOK-HNNXBMFYSA-N 0 0 418.994 5.288 50 0 HKAARN Cc1ccc([C@H](C)CCN(C)Cc2nnc(SCc3ccccc3Cl)n2C)o1 ZINC000014962975 568487543 /nfs/dbraw/zinc/48/75/43/568487543.db2.gz NZDLBBVGKHFLOK-OAHLLOKOSA-N 0 0 418.994 5.288 50 0 HKAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)cn1 ZINC000014963158 558684788 /nfs/dbraw/zinc/68/47/88/558684788.db2.gz OUIKAELWRNPNME-QHCPKHFHSA-N 0 0 400.551 5.136 50 0 HKAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2C)cn1 ZINC000014963162 558684762 /nfs/dbraw/zinc/68/47/62/558684762.db2.gz OUIKAELWRNPNME-HSZRJFAPSA-N 0 0 400.551 5.136 50 0 HKAARN CCOc1ccc(-c2nc(CN3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000014963424 558684791 /nfs/dbraw/zinc/68/47/91/558684791.db2.gz OQIDMORKFLXVPP-JOCHJYFZSA-N 0 0 412.555 5.056 50 0 HKAARN CCOc1ccc(-c2nc(CN3CCC([C@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000014963428 558684771 /nfs/dbraw/zinc/68/47/71/558684771.db2.gz OQIDMORKFLXVPP-QFIPXVFZSA-N 0 0 412.555 5.056 50 0 HKAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000014965582 558685578 /nfs/dbraw/zinc/68/55/78/558685578.db2.gz SYEDVGHRGNXJJA-UHFFFAOYSA-N 0 0 403.526 5.056 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000014966829 558686126 /nfs/dbraw/zinc/68/61/26/558686126.db2.gz RCGQLEMJXOYFFV-XMMPIXPASA-N 0 0 411.929 5.160 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000014966834 558686165 /nfs/dbraw/zinc/68/61/65/558686165.db2.gz RCGQLEMJXOYFFV-DEOSSOPVSA-N 0 0 411.929 5.160 50 0 HKAARN Cc1ccc2nc(OCc3ccccc3Cl)c(CN(C)Cc3nccs3)cc2c1 ZINC000014968797 558686652 /nfs/dbraw/zinc/68/66/52/558686652.db2.gz QYFMQTBBUQUBGA-UHFFFAOYSA-N 0 0 423.969 5.864 50 0 HKAARN OCc1ccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)Sc3ccccc32)o1 ZINC000014969086 558686954 /nfs/dbraw/zinc/68/69/54/558686954.db2.gz BMUYKYOOMLAEET-FQEVSTJZSA-N 0 0 419.468 6.034 50 0 HKAARN OCc1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)Sc3ccccc32)o1 ZINC000014969090 558686956 /nfs/dbraw/zinc/68/69/56/558686956.db2.gz BMUYKYOOMLAEET-HXUWFJFHSA-N 0 0 419.468 6.034 50 0 HKAARN FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 ZINC000014972053 558687901 /nfs/dbraw/zinc/68/79/01/558687901.db2.gz AGIWAXVIVYJIPU-QHCPKHFHSA-N 0 0 424.470 5.421 50 0 HKAARN FC(F)(F)c1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 ZINC000014972057 558687778 /nfs/dbraw/zinc/68/77/78/558687778.db2.gz AGIWAXVIVYJIPU-HSZRJFAPSA-N 0 0 424.470 5.421 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000014972996 558688131 /nfs/dbraw/zinc/68/81/31/558688131.db2.gz MVUSMNMSAYEAOL-QGZVFWFLSA-N 0 0 404.432 5.449 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000014973000 558688040 /nfs/dbraw/zinc/68/80/40/558688040.db2.gz MVUSMNMSAYEAOL-KRWDZBQOSA-N 0 0 404.432 5.449 50 0 HKAARN Cc1ncsc1CN(Cc1nc(-c2ccccc2Cl)oc1C)Cc1ccccc1 ZINC000014973322 558688464 /nfs/dbraw/zinc/68/84/64/558688464.db2.gz FXHQKTHOZYYXRW-UHFFFAOYSA-N 0 0 423.969 6.271 50 0 HKAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973827 558688382 /nfs/dbraw/zinc/68/83/82/558688382.db2.gz PDHHEDDQIMLSJN-JOCHJYFZSA-N 0 0 410.489 5.534 50 0 HKAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973831 558688303 /nfs/dbraw/zinc/68/83/03/558688303.db2.gz PDHHEDDQIMLSJN-QFIPXVFZSA-N 0 0 410.489 5.534 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)cc1 ZINC000014974985 558688767 /nfs/dbraw/zinc/68/87/67/558688767.db2.gz SEGSOUASLVHTGQ-DEOSSOPVSA-N 0 0 402.567 5.124 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)cc1 ZINC000014974988 558688787 /nfs/dbraw/zinc/68/87/87/558688787.db2.gz SEGSOUASLVHTGQ-XMMPIXPASA-N 0 0 402.567 5.124 50 0 HKAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000014975763 558689046 /nfs/dbraw/zinc/68/90/46/558689046.db2.gz WWAKIAHOYOGKFM-UHFFFAOYSA-N 0 0 408.542 5.059 50 0 HKAARN Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)no2)cc1C ZINC000014978632 558690201 /nfs/dbraw/zinc/69/02/01/558690201.db2.gz HCUONUUVGSDEIF-OAQYLSRUSA-N 0 0 404.510 5.280 50 0 HKAARN Cc1ccc(OCc2cc(C(=O)N3CCC[C@H](c4ccccc4)CC3)no2)cc1C ZINC000014978635 558690168 /nfs/dbraw/zinc/69/01/68/558690168.db2.gz HCUONUUVGSDEIF-NRFANRHFSA-N 0 0 404.510 5.280 50 0 HKAARN Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000014979364 558690570 /nfs/dbraw/zinc/69/05/70/558690570.db2.gz MSKDXGTVHMDOFR-QFIPXVFZSA-N 0 0 416.481 5.471 50 0 HKAARN Cc1nonc1[C@H]1CCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000014979367 558690596 /nfs/dbraw/zinc/69/05/96/558690596.db2.gz MSKDXGTVHMDOFR-JOCHJYFZSA-N 0 0 416.481 5.471 50 0 HKAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)c2)c1 ZINC000014980007 558690932 /nfs/dbraw/zinc/69/09/32/558690932.db2.gz MOIIWOMBWXQHLP-HXUWFJFHSA-N 0 0 404.535 5.214 50 0 HKAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)c2)c1 ZINC000014980010 558690904 /nfs/dbraw/zinc/69/09/04/558690904.db2.gz MOIIWOMBWXQHLP-FQEVSTJZSA-N 0 0 404.535 5.214 50 0 HKAARN CN(Cc1sc2ccccc2c1Cl)C(=O)c1cn(CCCc2ccccc2)nn1 ZINC000014980824 558691433 /nfs/dbraw/zinc/69/14/33/558691433.db2.gz GJSZDQJCIAHXSI-UHFFFAOYSA-N 0 0 424.957 5.051 50 0 HKAARN Cc1nc([C@@H](C)NCc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cs1 ZINC000014980896 558691362 /nfs/dbraw/zinc/69/13/62/558691362.db2.gz IRKNIELSBKWCHL-GOSISDBHSA-N 0 0 402.567 5.772 50 0 HKAARN Cc1nc([C@H](C)NCc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cs1 ZINC000014980898 558691309 /nfs/dbraw/zinc/69/13/09/558691309.db2.gz IRKNIELSBKWCHL-SFHVURJKSA-N 0 0 402.567 5.772 50 0 HKAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981228 558691667 /nfs/dbraw/zinc/69/16/67/558691667.db2.gz XLXMJFCYJMWNRK-KRWDZBQOSA-N 0 0 422.525 5.240 50 0 HKAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981230 558691694 /nfs/dbraw/zinc/69/16/94/558691694.db2.gz XLXMJFCYJMWNRK-QGZVFWFLSA-N 0 0 422.525 5.240 50 0 HKAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(F)cc2F)C3)cc1 ZINC000014981654 558691905 /nfs/dbraw/zinc/69/19/05/558691905.db2.gz IVAHFFRFHVNFEG-UHFFFAOYSA-N 0 0 411.448 5.044 50 0 HKAARN Cc1nc([C@@H](C)NCc2cc3ccc(C)cc3n(Cc3cccc(C)c3)c2=O)cs1 ZINC000014982975 568690880 /nfs/dbraw/zinc/69/08/80/568690880.db2.gz WNZPUDNIDTZOMB-GOSISDBHSA-N 0 0 417.578 5.282 50 0 HKAARN Cc1nc([C@H](C)NCc2cc3ccc(C)cc3n(Cc3cccc(C)c3)c2=O)cs1 ZINC000014982978 568691155 /nfs/dbraw/zinc/69/11/55/568691155.db2.gz WNZPUDNIDTZOMB-SFHVURJKSA-N 0 0 417.578 5.282 50 0 HKAARN Cc1c[nH]c(CN2CC[C@@H](c3ccccc3C(F)(F)F)Sc3ccccc32)n1 ZINC000014986684 558693115 /nfs/dbraw/zinc/69/31/15/558693115.db2.gz KFKLRXJXEXHSFQ-SFHVURJKSA-N 0 0 403.473 5.981 50 0 HKAARN Cc1c[nH]c(CN2CC[C@H](c3ccccc3C(F)(F)F)Sc3ccccc32)n1 ZINC000014986685 558693069 /nfs/dbraw/zinc/69/30/69/558693069.db2.gz KFKLRXJXEXHSFQ-GOSISDBHSA-N 0 0 403.473 5.981 50 0 HKAARN C=Cc1ccc(C(=O)N2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)cc1 ZINC000014990298 558693951 /nfs/dbraw/zinc/69/39/51/558693951.db2.gz CEKBFVUKWLHNQN-VWLOTQADSA-N 0 0 413.517 5.031 50 0 HKAARN C=Cc1ccc(C(=O)N2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)cc1 ZINC000014990300 558694086 /nfs/dbraw/zinc/69/40/86/558694086.db2.gz CEKBFVUKWLHNQN-RUZDIDTESA-N 0 0 413.517 5.031 50 0 HKAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(C)cc2)C3)c1OC ZINC000014990858 568718495 /nfs/dbraw/zinc/71/84/95/568718495.db2.gz CGKYTYKTWGVWMO-UHFFFAOYSA-N 0 0 419.521 5.082 50 0 HKAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(Cc1ccc(O)cc1)C2 ZINC000014991100 558694356 /nfs/dbraw/zinc/69/43/56/558694356.db2.gz ROIFTKIYYITHEG-UHFFFAOYSA-N 0 0 407.535 5.184 50 0 HKAARN COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c2ccccc12 ZINC000014991190 558694523 /nfs/dbraw/zinc/69/45/23/558694523.db2.gz OTCTWRMUXSTWCO-UHFFFAOYSA-N 0 0 417.530 5.677 50 0 HKAARN Cc1cc(-c2cc(O)c3c(c2)CN(Cc2ccco2)CCO3)nc2cc(F)ccc12 ZINC000014994482 568722242 /nfs/dbraw/zinc/72/22/42/568722242.db2.gz RZTSNFUFOXGTTC-UHFFFAOYSA-N 0 0 404.441 5.043 50 0 HKAARN Cc1c(C(=O)N2CCCC2)sc2ncnc(NCc3cc4ccccc4s3)c12 ZINC000014995199 558695895 /nfs/dbraw/zinc/69/58/95/558695895.db2.gz IKRIDAZMWPQTBK-UHFFFAOYSA-N 0 0 408.552 5.063 50 0 HKAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000014997521 558696546 /nfs/dbraw/zinc/69/65/46/558696546.db2.gz LGXVJJAPMAMVCK-QGZVFWFLSA-N 0 0 405.567 5.345 50 0 HKAARN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000014997524 558696595 /nfs/dbraw/zinc/69/65/95/558696595.db2.gz LGXVJJAPMAMVCK-KRWDZBQOSA-N 0 0 405.567 5.345 50 0 HKAARN CC(=O)Nc1ccc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)cc1 ZINC000014997725 558696532 /nfs/dbraw/zinc/69/65/32/558696532.db2.gz VSFQXAOMBISRJR-QHCPKHFHSA-N 0 0 406.526 6.028 50 0 HKAARN CC(=O)Nc1ccc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)cc1 ZINC000014997728 558696624 /nfs/dbraw/zinc/69/66/24/558696624.db2.gz VSFQXAOMBISRJR-HSZRJFAPSA-N 0 0 406.526 6.028 50 0 HKAARN Cc1nc(NCc2cc(F)c(F)c(F)c2)sc1-c1ccn(Cc2ccsc2)n1 ZINC000014997829 558696604 /nfs/dbraw/zinc/69/66/04/558696604.db2.gz AOKLXYRPAWSFLA-UHFFFAOYSA-N 0 0 420.485 5.454 50 0 HKAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccc(F)c1)C2 ZINC000014998453 558696889 /nfs/dbraw/zinc/69/68/89/558696889.db2.gz MFDFISKOFRXXQE-UHFFFAOYSA-N 0 0 420.509 5.506 50 0 HKAARN COCCCN(Cc1cc2ccc(SC)cc2nc1-c1cccc(C)c1)C(C)=O ZINC000015001359 558697914 /nfs/dbraw/zinc/69/79/14/558697914.db2.gz ZIJKNVWVDXUCIM-UHFFFAOYSA-N 0 0 408.567 5.317 50 0 HKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2 ZINC000015001476 558697907 /nfs/dbraw/zinc/69/79/07/558697907.db2.gz ZARHSESVLWULSK-UHFFFAOYSA-N 0 0 424.488 5.137 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)c(F)c3F)cc12 ZINC000015003022 558698370 /nfs/dbraw/zinc/69/83/70/558698370.db2.gz IPARRHWXDSIVDS-UHFFFAOYSA-N 0 0 405.376 5.204 50 0 HKAARN COc1cccc([C@@H]2CCN(Cc3cccc(OC)c3OC)c3ccccc3S2)c1 ZINC000015003741 558698569 /nfs/dbraw/zinc/69/85/69/558698569.db2.gz YUZMFKVNGVMDKJ-QHCPKHFHSA-N 0 0 421.562 5.956 50 0 HKAARN COc1cccc([C@H]2CCN(Cc3cccc(OC)c3OC)c3ccccc3S2)c1 ZINC000015003743 558698648 /nfs/dbraw/zinc/69/86/48/558698648.db2.gz YUZMFKVNGVMDKJ-HSZRJFAPSA-N 0 0 421.562 5.956 50 0 HKAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000015004534 558698868 /nfs/dbraw/zinc/69/88/68/558698868.db2.gz NHVREDXFDUBXHQ-UHFFFAOYSA-N 0 0 405.404 5.078 50 0 HKAARN COc1cc([C@@H]2CCN(Cc3ccoc3)c3ccccc3S2)cc(OC)c1OC ZINC000015005910 558699081 /nfs/dbraw/zinc/69/90/81/558699081.db2.gz TVUFFTCCOCQVMP-NRFANRHFSA-N 0 0 411.523 5.549 50 0 HKAARN COc1cc([C@H]2CCN(Cc3ccoc3)c3ccccc3S2)cc(OC)c1OC ZINC000015005912 558699040 /nfs/dbraw/zinc/69/90/40/558699040.db2.gz TVUFFTCCOCQVMP-OAQYLSRUSA-N 0 0 411.523 5.549 50 0 HKAARN Cc1csc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c32)CCC4)n1 ZINC000015007218 560538009 /nfs/dbraw/zinc/53/80/09/560538009.db2.gz CVXUWWDSAGVYFI-UHFFFAOYSA-N 0 0 424.576 5.348 50 0 HKAARN O=C1N/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1 ZINC000015008794 568736038 /nfs/dbraw/zinc/73/60/38/568736038.db2.gz YNPIJEMPJQULDL-WOJGMQOQSA-N 0 0 413.260 5.346 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000015008975 558699773 /nfs/dbraw/zinc/69/97/73/558699773.db2.gz ZOGZOYHEAHSWLG-FYJGNVAPSA-N 0 0 403.459 5.386 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000015009904 558699876 /nfs/dbraw/zinc/69/98/76/558699876.db2.gz YWTZPOHOBLOOSW-ODLFYWEKSA-N 0 0 417.914 5.374 50 0 HKAARN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000015009914 558699887 /nfs/dbraw/zinc/69/98/87/558699887.db2.gz QYBRGLXTYFOTCG-MOSHPQCFSA-N 0 0 409.894 6.133 50 0 HKAARN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000015009916 558699922 /nfs/dbraw/zinc/69/99/22/558699922.db2.gz RQZYFMLINJLWGX-DHDCSXOGSA-N 0 0 410.278 5.339 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 ZINC000015009922 558699960 /nfs/dbraw/zinc/69/99/60/558699960.db2.gz CAGRCJPGXVCSCF-ZDLGFXPLSA-N 0 0 403.887 5.378 50 0 HKAARN COc1cc(C)c(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1C(C)C ZINC000015010404 558699865 /nfs/dbraw/zinc/69/98/65/558699865.db2.gz UZUZOHYUNAYZFH-MTJSOVHGSA-N 0 0 409.507 5.046 50 0 HKAARN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000015010420 558699945 /nfs/dbraw/zinc/69/99/45/558699945.db2.gz CGJTUOIILYFPKJ-BKUYFWCQSA-N 0 0 407.466 5.614 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC ZINC000015010492 558700128 /nfs/dbraw/zinc/70/01/28/558700128.db2.gz NIVLAXCTFBYGMA-UNOMPAQXSA-N 0 0 417.914 5.374 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCC)c1 ZINC000015010575 558700157 /nfs/dbraw/zinc/70/01/57/558700157.db2.gz PIGVAIFVRAZRGT-ODLFYWEKSA-N 0 0 417.914 5.374 50 0 HKAARN COc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000015010664 558700145 /nfs/dbraw/zinc/70/01/45/558700145.db2.gz LSRXDZHYJYGHJP-MTJSOVHGSA-N 0 0 411.523 5.275 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000015010879 558700342 /nfs/dbraw/zinc/70/03/42/558700342.db2.gz FZOUXUKGASRZRF-WQRHYEAKSA-N 0 0 403.887 5.378 50 0 HKAARN Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccnc1 ZINC000015010969 558700356 /nfs/dbraw/zinc/70/03/56/558700356.db2.gz OQCIWEONNXKILP-ODLFYWEKSA-N 0 0 409.898 5.383 50 0 HKAARN CCOc1cc(C)c(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1C(C)C ZINC000015011021 558700317 /nfs/dbraw/zinc/70/03/17/558700317.db2.gz XVKSAQRFXIXDIV-KQWNVCNZSA-N 0 0 423.578 6.186 50 0 HKAARN COc1cc(Cl)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000015011326 558700540 /nfs/dbraw/zinc/70/05/40/558700540.db2.gz KUNWGJDVSRYZTK-PXNMLYILSA-N 0 0 410.278 5.252 50 0 HKAARN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 ZINC000015011682 558700697 /nfs/dbraw/zinc/70/06/97/558700697.db2.gz VIYJPHNTCBDQEE-GZTJUZNOSA-N 0 0 416.285 6.494 50 0 HKAARN CCOC(=O)COc1ccccc1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000015015951 558701833 /nfs/dbraw/zinc/70/18/33/558701833.db2.gz AYASMAMFKIVFEY-UHFFFAOYSA-N 0 0 424.500 5.771 50 0 HKAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000015016056 558701799 /nfs/dbraw/zinc/70/17/99/558701799.db2.gz OGNANFLVSJWGAP-YBEGLDIGSA-N 0 0 400.659 5.855 50 0 HKAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000015016066 558701811 /nfs/dbraw/zinc/70/18/11/558701811.db2.gz QAQILXLCGPNHGS-YBEGLDIGSA-N 0 0 400.659 5.855 50 0 HKAARN COc1cc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016167 558701794 /nfs/dbraw/zinc/70/17/94/558701794.db2.gz LHZSDJAGDKHODQ-SBUREZEXSA-N 0 0 422.506 5.016 50 0 HKAARN COc1cc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016168 558701848 /nfs/dbraw/zinc/70/18/48/558701848.db2.gz LHZSDJAGDKHODQ-HXOBKFHXSA-N 0 0 422.506 5.016 50 0 HKAARN COc1cc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016169 558701980 /nfs/dbraw/zinc/70/19/80/558701980.db2.gz LHZSDJAGDKHODQ-UZUQRXQVSA-N 0 0 422.506 5.016 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OCC ZINC000015016178 558701984 /nfs/dbraw/zinc/70/19/84/558701984.db2.gz CUEKYCIBMIWGAQ-DVECYGJZSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OCC ZINC000015016179 558702112 /nfs/dbraw/zinc/70/21/12/558702112.db2.gz CUEKYCIBMIWGAQ-NTKDMRAZSA-N 0 0 420.534 5.788 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 ZINC000015016186 558701994 /nfs/dbraw/zinc/70/19/94/558701994.db2.gz FNXJOKNQOLXZFP-SCLBCKFNSA-N 0 0 401.285 5.346 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 ZINC000015016187 558702100 /nfs/dbraw/zinc/70/21/00/558702100.db2.gz FNXJOKNQOLXZFP-FZKQIMNGSA-N 0 0 401.285 5.346 50 0 HKAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000015016218 558702093 /nfs/dbraw/zinc/70/20/93/558702093.db2.gz UJASMGWZVGKARU-IERDGZPVSA-N 0 0 412.898 5.358 50 0 HKAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1O ZINC000015016219 558702001 /nfs/dbraw/zinc/70/20/01/558702001.db2.gz UJASMGWZVGKARU-IIBYNOLFSA-N 0 0 412.898 5.358 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c2ccccc12 ZINC000015016225 558702089 /nfs/dbraw/zinc/70/20/89/558702089.db2.gz JTFOKZUSRYCGRX-BWKNWUBXSA-N 0 0 412.514 6.152 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c2ccccc12 ZINC000015016226 558702012 /nfs/dbraw/zinc/70/20/12/558702012.db2.gz JTFOKZUSRYCGRX-PXDATVDWSA-N 0 0 412.514 6.152 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(=O)CCC)c1ccccc1-2 ZINC000015016333 558702115 /nfs/dbraw/zinc/70/21/15/558702115.db2.gz ILTJNACYTKLQOS-NRFANRHFSA-N 0 0 424.526 5.248 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CCC)c1ccccc1-2 ZINC000015016334 558702062 /nfs/dbraw/zinc/70/20/62/558702062.db2.gz ILTJNACYTKLQOS-OAQYLSRUSA-N 0 0 424.526 5.248 50 0 HKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000015016376 558702103 /nfs/dbraw/zinc/70/21/03/558702103.db2.gz KPGCFRPIPJUWER-QMLHBMHXSA-N 0 0 422.598 5.800 50 0 biogenic HKAARN Clc1cc2c(cc1[C@H]1Oc3ccccc3[C@H]3CC(c4cccs4)=NN31)OCO2 ZINC000015016631 558702276 /nfs/dbraw/zinc/70/22/76/558702276.db2.gz NHSMQRNRPUSFLX-IIBYNOLFSA-N 0 0 410.882 5.373 50 0 HKAARN COc1ccc(I)cc1/C=C/c1ccc2cccc(OC)c2n1 ZINC000015016715 558702444 /nfs/dbraw/zinc/70/24/44/558702444.db2.gz GORWUSJWDLZZKA-JXMROGBWSA-N 0 0 417.246 5.027 50 0 HKAARN CCOc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)ccc1OC ZINC000015016723 558702418 /nfs/dbraw/zinc/70/24/18/558702418.db2.gz TUNILUVCMUTWAA-JPYJTQIMSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)ccc1OC ZINC000015016724 558702491 /nfs/dbraw/zinc/70/24/91/558702491.db2.gz TUNILUVCMUTWAA-WZONZLPQSA-N 0 0 406.507 5.398 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(OC)c1OC ZINC000015016728 558702534 /nfs/dbraw/zinc/70/25/34/558702534.db2.gz OYTRLFILHQEVSF-SBUREZEXSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(OC)c1OC ZINC000015016729 558702452 /nfs/dbraw/zinc/70/24/52/558702452.db2.gz OYTRLFILHQEVSF-GAJHUEQPSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(OC)c1OC ZINC000015016730 558702508 /nfs/dbraw/zinc/70/25/08/558702508.db2.gz OYTRLFILHQEVSF-HXOBKFHXSA-N 0 0 422.506 5.016 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(OC)c1OC ZINC000015016731 558702440 /nfs/dbraw/zinc/70/24/40/558702440.db2.gz OYTRLFILHQEVSF-UZUQRXQVSA-N 0 0 422.506 5.016 50 0 HKAARN CCCCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016753 558702421 /nfs/dbraw/zinc/70/24/21/558702421.db2.gz YJYUIXFKRBVHDI-YKSBVNFPSA-N 0 0 404.535 6.169 50 0 HKAARN CCCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016754 558702463 /nfs/dbraw/zinc/70/24/63/558702463.db2.gz YJYUIXFKRBVHDI-HYBUGGRVSA-N 0 0 404.535 6.169 50 0 HKAARN Brc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000015016755 558702484 /nfs/dbraw/zinc/70/24/84/558702484.db2.gz ATEUWZWKKFWGNX-FXAWDEMLSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016756 558702478 /nfs/dbraw/zinc/70/24/78/558702478.db2.gz ATEUWZWKKFWGNX-YLJYHZDGSA-N 0 0 411.324 5.753 50 0 HKAARN COc1cc(/C=C/c2ccc3ccccc3n2)cc(I)c1OC ZINC000015016783 558702482 /nfs/dbraw/zinc/70/24/82/558702482.db2.gz RSNYTSOYKDEKFV-VQHVLOKHSA-N 0 0 417.246 5.027 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)s1 ZINC000015016838 558702437 /nfs/dbraw/zinc/70/24/37/558702437.db2.gz YLASXUIRBMWQIW-SCLBCKFNSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)s1 ZINC000015016839 558702513 /nfs/dbraw/zinc/70/25/13/558702513.db2.gz YLASXUIRBMWQIW-FZKQIMNGSA-N 0 0 417.353 5.814 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016884 558702515 /nfs/dbraw/zinc/70/25/15/558702515.db2.gz OQAPMZNVAIPJLA-JPYJTQIMSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC ZINC000015016885 558702529 /nfs/dbraw/zinc/70/25/29/558702529.db2.gz OQAPMZNVAIPJLA-WZONZLPQSA-N 0 0 406.507 5.398 50 0 HKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(C)C)cc1 ZINC000015016907 558702731 /nfs/dbraw/zinc/70/27/31/558702731.db2.gz FKEIPJGEJTWOOH-JOCHJYFZSA-N 0 0 420.538 5.218 50 0 HKAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(C)C)cc1 ZINC000015016908 558702704 /nfs/dbraw/zinc/70/27/04/558702704.db2.gz FKEIPJGEJTWOOH-QFIPXVFZSA-N 0 0 420.538 5.218 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000015017424 558702683 /nfs/dbraw/zinc/70/26/83/558702683.db2.gz GNJIQZKVNQXMAN-GKCIPKSASA-N 0 0 418.331 5.409 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1O ZINC000015017437 558702714 /nfs/dbraw/zinc/70/27/14/558702714.db2.gz NDSXYSQHMTVZDJ-GMVOTWDCSA-N 0 0 404.304 5.106 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000015017878 558702678 /nfs/dbraw/zinc/70/26/78/558702678.db2.gz JYKLTNKVDBRJQY-AGRHKRQWSA-N 0 0 404.304 5.019 50 0 HKAARN COc1cccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1OC1CCCC1 ZINC000015017888 558702717 /nfs/dbraw/zinc/70/27/17/558702717.db2.gz PFUPSMHPJRDROX-QGZVFWFLSA-N 0 0 416.315 5.058 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1OCC ZINC000015017921 558702667 /nfs/dbraw/zinc/70/26/67/558702667.db2.gz CIJNZUJWJSDNFV-SSKFGXFMSA-N 0 0 401.934 6.080 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000015018063 558702886 /nfs/dbraw/zinc/70/28/86/558702886.db2.gz QGMPNHIGERIQJS-GKCIPKSASA-N 0 0 418.331 5.409 50 0 HKAARN CCOc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)c1OC ZINC000015018090 558702874 /nfs/dbraw/zinc/70/28/74/558702874.db2.gz CYNTUCOYAYWOSA-KPOBHBOGSA-N 0 0 418.331 5.491 50 0 HKAARN CCN1c2ccc(Br)cc2[C@@H](Cc2oc3ccc(F)cc3c2C)C1=O ZINC000015018189 558702863 /nfs/dbraw/zinc/70/28/63/558702863.db2.gz IZLSZTVDXMNEJY-MRXNPFEDSA-N 0 0 402.263 5.336 50 0 HKAARN CCOc1c(Br)cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc1OC ZINC000015018271 558702909 /nfs/dbraw/zinc/70/29/09/558702909.db2.gz WXUSICSWNIAIMA-GKCIPKSASA-N 0 0 418.331 5.409 50 0 HKAARN CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc2ccccc2o1 ZINC000015018950 558703125 /nfs/dbraw/zinc/70/31/25/558703125.db2.gz XDZVLRNIKKTHEK-UHFFFAOYSA-N 0 0 424.551 5.164 50 0 HKAARN CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCC(=O)c3ccccc3)cc21 ZINC000015019016 558703135 /nfs/dbraw/zinc/70/31/35/558703135.db2.gz KZQSIXLSYHCVHW-UHFFFAOYSA-N 0 0 419.521 5.893 50 0 HKAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C ZINC000015019446 558703226 /nfs/dbraw/zinc/70/32/26/558703226.db2.gz BVUYKCCIDQUAAI-UHFFFAOYSA-N 0 0 417.456 5.510 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)O[C@H]1CCCC[C@@H]21 ZINC000015023624 558703506 /nfs/dbraw/zinc/70/35/06/558703506.db2.gz ONNBSYIGYVFIKL-XERREHJYSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)O[C@@H]1CCCC[C@@H]21 ZINC000015023627 558703468 /nfs/dbraw/zinc/70/34/68/558703468.db2.gz ONNBSYIGYVFIKL-KLHJMIIUSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc3oc4ccccc4c3c1)O[C@H]1CCCC[C@@H]21 ZINC000015023630 558703462 /nfs/dbraw/zinc/70/34/62/558703462.db2.gz BWCLFDYZBYENDD-IPZQTHRPSA-N 0 0 414.501 6.749 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc3oc4ccccc4c3c1)O[C@@H]1CCCC[C@@H]21 ZINC000015023633 558703438 /nfs/dbraw/zinc/70/34/38/558703438.db2.gz BWCLFDYZBYENDD-MUDFHLJKSA-N 0 0 414.501 6.749 50 0 HKAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)o2)cc1 ZINC000015023736 558703474 /nfs/dbraw/zinc/70/34/74/558703474.db2.gz CRUCRXHYCUGCRX-UCNVEGJOSA-N 0 0 408.519 6.331 50 0 HKAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000015023744 558703490 /nfs/dbraw/zinc/70/34/90/558703490.db2.gz HKUBQVLWDXNOTL-LEEZEASISA-N 0 0 406.547 6.482 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)O[C@H]1CCCC[C@@H]21 ZINC000015024243 558703514 /nfs/dbraw/zinc/70/35/14/558703514.db2.gz BWNAZAWQUGLOEV-XERREHJYSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)O[C@@H]1CCCC[C@@H]21 ZINC000015024246 558703535 /nfs/dbraw/zinc/70/35/35/558703535.db2.gz BWNAZAWQUGLOEV-KLHJMIIUSA-N 0 0 403.316 5.612 50 0 HKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1ccc(Br)cc1 ZINC000015024570 558703494 /nfs/dbraw/zinc/70/34/94/558703494.db2.gz XUCXXQOFQMYVJS-MRUHUIDDSA-N 0 0 403.316 5.612 50 0 HKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1ccc(Br)cc1 ZINC000015024573 558703430 /nfs/dbraw/zinc/70/34/30/558703430.db2.gz XUCXXQOFQMYVJS-QYWGDWMGSA-N 0 0 403.316 5.612 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCSCc1ccc(C)cc1 ZINC000015031923 568746994 /nfs/dbraw/zinc/74/69/94/568746994.db2.gz USGLMRPMUINLRK-UHFFFAOYSA-N 0 0 400.931 5.275 50 0 HKAARN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C ZINC000015040622 558703934 /nfs/dbraw/zinc/70/39/34/558703934.db2.gz RJXJWTVWBPJDGB-HNNXBMFYSA-N 0 0 420.465 5.116 50 0 HKAARN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C ZINC000015040625 558703925 /nfs/dbraw/zinc/70/39/25/558703925.db2.gz RJXJWTVWBPJDGB-OAHLLOKOSA-N 0 0 420.465 5.116 50 0 HKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062430 558705224 /nfs/dbraw/zinc/70/52/24/558705224.db2.gz IPUWCBRRBBNWTQ-JOCHJYFZSA-N 0 0 406.526 5.621 50 0 HKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062432 558705366 /nfs/dbraw/zinc/70/53/66/558705366.db2.gz IPUWCBRRBBNWTQ-QFIPXVFZSA-N 0 0 406.526 5.621 50 0 HKAARN Cc1oc(-c2cccc(F)c2F)nc1CN1CCC(Oc2ccccc2F)CC1 ZINC000015063506 558706157 /nfs/dbraw/zinc/70/61/57/558706157.db2.gz DBDICLVUQWXGEZ-UHFFFAOYSA-N 0 0 402.416 5.111 50 0 HKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064178 558706923 /nfs/dbraw/zinc/70/69/23/558706923.db2.gz RMTGDHYBXPQZBS-OAQYLSRUSA-N 0 0 422.525 5.321 50 0 HKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064179 558707012 /nfs/dbraw/zinc/70/70/12/558707012.db2.gz RMTGDHYBXPQZBS-NRFANRHFSA-N 0 0 422.525 5.321 50 0 HKAARN Cc1occc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000015064191 558707038 /nfs/dbraw/zinc/70/70/38/558707038.db2.gz VUVNDAWEEDNVQB-OAQYLSRUSA-N 0 0 402.494 5.054 50 0 HKAARN Cc1occc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000015064192 558706992 /nfs/dbraw/zinc/70/69/92/558706992.db2.gz VUVNDAWEEDNVQB-NRFANRHFSA-N 0 0 402.494 5.054 50 0 HKAARN CC[C@@H](NC(=O)CCc1nnc(CCCCc2ccccc2)o1)c1ccc(C)cc1 ZINC000015064605 558707645 /nfs/dbraw/zinc/70/76/45/558707645.db2.gz NRDONCJUVSTVQL-JOCHJYFZSA-N 0 0 405.542 5.144 50 0 HKAARN CC[C@H](NC(=O)CCc1nnc(CCCCc2ccccc2)o1)c1ccc(C)cc1 ZINC000015064606 558707548 /nfs/dbraw/zinc/70/75/48/558707548.db2.gz NRDONCJUVSTVQL-QFIPXVFZSA-N 0 0 405.542 5.144 50 0 HKAARN CCc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000015064681 558707497 /nfs/dbraw/zinc/70/74/97/558707497.db2.gz QRQASOXVJHHCFR-JOCHJYFZSA-N 0 0 416.521 5.538 50 0 HKAARN CCc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000015064682 558707648 /nfs/dbraw/zinc/70/76/48/558707648.db2.gz QRQASOXVJHHCFR-QFIPXVFZSA-N 0 0 416.521 5.538 50 0 HKAARN COc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000015064945 558707760 /nfs/dbraw/zinc/70/77/60/558707760.db2.gz UBNZFCFQVFPFTF-JOCHJYFZSA-N 0 0 414.505 5.489 50 0 HKAARN COc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000015064946 558707817 /nfs/dbraw/zinc/70/78/17/558707817.db2.gz UBNZFCFQVFPFTF-QFIPXVFZSA-N 0 0 414.505 5.489 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000015065194 568748783 /nfs/dbraw/zinc/74/87/83/568748783.db2.gz VZDBMDFUQKJWHT-IBGZPJMESA-N 0 0 422.956 5.540 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000015065195 568748773 /nfs/dbraw/zinc/74/87/73/568748773.db2.gz VZDBMDFUQKJWHT-LJQANCHMSA-N 0 0 422.956 5.540 50 0 HKAARN O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCCCCCC1 ZINC000015065934 558708910 /nfs/dbraw/zinc/70/89/10/558708910.db2.gz JWRVLFYYDZJXDF-UHFFFAOYSA-N 0 0 407.461 5.488 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000015066939 558709949 /nfs/dbraw/zinc/70/99/49/558709949.db2.gz NWVBPXBUDALNJY-HSZRJFAPSA-N 0 0 421.500 5.032 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000015066941 558709913 /nfs/dbraw/zinc/70/99/13/558709913.db2.gz NWVBPXBUDALNJY-QHCPKHFHSA-N 0 0 421.500 5.032 50 0 HKAARN CCC(=O)N(Cc1cc2cc(C)ccc2nc1-c1ccccc1C)C[C@@H]1CCCO1 ZINC000015067434 558710056 /nfs/dbraw/zinc/71/00/56/558710056.db2.gz BCVHRUZXHFQGQY-QFIPXVFZSA-N 0 0 402.538 5.436 50 0 HKAARN CCC(=O)N(Cc1cc2cc(C)ccc2nc1-c1ccccc1C)C[C@H]1CCCO1 ZINC000015067436 558710161 /nfs/dbraw/zinc/71/01/61/558710161.db2.gz BCVHRUZXHFQGQY-JOCHJYFZSA-N 0 0 402.538 5.436 50 0 HKAARN CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015068419 558710895 /nfs/dbraw/zinc/71/08/95/558710895.db2.gz RQTSVNYPSGKRFH-DEOSSOPVSA-N 0 0 404.489 5.036 50 0 HKAARN CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015068421 558710821 /nfs/dbraw/zinc/71/08/21/558710821.db2.gz RQTSVNYPSGKRFH-XMMPIXPASA-N 0 0 404.489 5.036 50 0 HKAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000015068704 558711265 /nfs/dbraw/zinc/71/12/65/558711265.db2.gz XWCIMUZSOOBQSE-UHFFFAOYSA-N 0 0 414.933 5.068 50 0 HKAARN Cc1c([C@@H](C)NCc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1cccc(F)c1 ZINC000015068902 558711369 /nfs/dbraw/zinc/71/13/69/558711369.db2.gz PPSFUCVAQPJRDD-OAHLLOKOSA-N 0 0 421.907 5.281 50 0 HKAARN Cc1c([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1cccc(F)c1 ZINC000015068904 558711381 /nfs/dbraw/zinc/71/13/81/558711381.db2.gz PPSFUCVAQPJRDD-HNNXBMFYSA-N 0 0 421.907 5.281 50 0 HKAARN Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(C2CCCC2)n1 ZINC000015069365 558711625 /nfs/dbraw/zinc/71/16/25/558711625.db2.gz PLFPUWXBFJSFCP-UHFFFAOYSA-N 0 0 404.543 5.432 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)C(C)C)C2CC2)cc1OC ZINC000015069616 558711849 /nfs/dbraw/zinc/71/18/49/558711849.db2.gz VAAKGBOKYIIAJJ-UHFFFAOYSA-N 0 0 418.537 5.374 50 0 HKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)Cc1nc2ccccc2s1 ZINC000015069735 558711820 /nfs/dbraw/zinc/71/18/20/558711820.db2.gz AODLAZLEZQYBJS-UHFFFAOYSA-N 0 0 417.456 5.911 50 0 HKAARN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000015069789 571134639 /nfs/dbraw/zinc/13/46/39/571134639.db2.gz CSOPMYQWQSKRDG-HXUWFJFHSA-N 0 0 400.453 5.187 50 0 HKAARN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000015069791 571134642 /nfs/dbraw/zinc/13/46/42/571134642.db2.gz CSOPMYQWQSKRDG-FQEVSTJZSA-N 0 0 400.453 5.187 50 0 HKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000015070658 558712571 /nfs/dbraw/zinc/71/25/71/558712571.db2.gz OWHKFZMIAZLOBO-OAQYLSRUSA-N 0 0 415.537 5.202 50 0 HKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000015070660 558712542 /nfs/dbraw/zinc/71/25/42/558712542.db2.gz OWHKFZMIAZLOBO-NRFANRHFSA-N 0 0 415.537 5.202 50 0 HKAARN Cc1cccc(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c1 ZINC000015071452 558713033 /nfs/dbraw/zinc/71/30/33/558713033.db2.gz CBGIIIKALKIFBU-UHFFFAOYSA-N 0 0 402.519 5.372 50 0 HKAARN Cc1cc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)[nH]n1 ZINC000015071752 558713325 /nfs/dbraw/zinc/71/33/25/558713325.db2.gz ATFDQDDBJOVMTJ-UHFFFAOYSA-N 0 0 411.509 5.008 50 0 HKAARN CC(C)C(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000015073066 558714004 /nfs/dbraw/zinc/71/40/04/558714004.db2.gz DPQAYACNNWDKCY-HNNXBMFYSA-N 0 0 421.010 5.426 50 0 HKAARN CC(C)C(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000015073068 558713950 /nfs/dbraw/zinc/71/39/50/558713950.db2.gz DPQAYACNNWDKCY-OAHLLOKOSA-N 0 0 421.010 5.426 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(C)s2)cc1 ZINC000015073724 558714515 /nfs/dbraw/zinc/71/45/15/558714515.db2.gz LHBHEYIRBCWLCH-DEOSSOPVSA-N 0 0 403.551 5.479 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(C)s2)cc1 ZINC000015073725 558714498 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Cc1oc2cc(OC(=O)[C@H]3CC=CCC3)ccc2c(=O)c1-c1c(F)cccc1Cl ZINC000015317660 568872613 /nfs/dbraw/zinc/87/26/13/568872613.db2.gz ZLHRLRBEHVIURF-AWEZNQCLSA-N 0 0 412.844 5.823 50 0 HKAARN Cc1oc2cc(OC(=O)[C@@H]3CC=CCC3)ccc2c(=O)c1-c1c(F)cccc1Cl ZINC000015317661 568872590 /nfs/dbraw/zinc/87/25/90/568872590.db2.gz ZLHRLRBEHVIURF-CQSZACIVSA-N 0 0 412.844 5.823 50 0 HKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl ZINC000015317944 568876925 /nfs/dbraw/zinc/87/69/25/568876925.db2.gz MWVYEFYIXPNYMH-UHFFFAOYSA-N 0 0 418.349 5.261 50 0 HKAARN Cc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@]2(C)C3(Cl)Cl)cc1 ZINC000015318861 558732334 /nfs/dbraw/zinc/73/23/34/558732334.db2.gz WMVAPGMEZFZUIW-ZRBLBEILSA-N 0 0 413.319 6.748 50 0 HKAARN CSc1nc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2s1 ZINC000015320835 558732662 /nfs/dbraw/zinc/73/26/62/558732662.db2.gz RTQPNJPUDRJTHS-UHFFFAOYSA-N 0 0 414.483 5.582 50 0 HKAARN CCOc1ccc(CCNC(=O)C2c3ccccc3Oc3ccccc32)cc1OCC ZINC000015320992 568876852 /nfs/dbraw/zinc/87/68/52/568876852.db2.gz XCLGEYKKVFMSEY-UHFFFAOYSA-N 0 0 417.505 5.081 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C ZINC000015323259 558733047 /nfs/dbraw/zinc/73/30/47/558733047.db2.gz CSUIDFNSBYEWTK-UHFFFAOYSA-N 0 0 411.527 5.109 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000015323969 568877058 /nfs/dbraw/zinc/87/70/58/568877058.db2.gz RFBXGHXUZJVAEW-UHFFFAOYSA-N 0 0 420.943 5.212 50 0 HKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc2oc3ccccc3c2c1 ZINC000015326312 558733624 /nfs/dbraw/zinc/73/36/24/558733624.db2.gz KAYOCXOEKIHNMW-UHFFFAOYSA-N 0 0 409.367 5.593 50 0 HKAARN Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000015346017 558734837 /nfs/dbraw/zinc/73/48/37/558734837.db2.gz FQXUFMFPARMVQA-UHFFFAOYSA-N 0 0 402.523 5.050 50 0 HKAARN CN(CC(=O)Nc1cccc2ccccc21)c1ncnc2sc(-c3ccccc3)cc21 ZINC000015346246 558734807 /nfs/dbraw/zinc/73/48/07/558734807.db2.gz LUJWEDQDLOJTSC-UHFFFAOYSA-N 0 0 424.529 5.586 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000015356193 568879481 /nfs/dbraw/zinc/87/94/81/568879481.db2.gz URZIVWVYALIXSL-UHFFFAOYSA-N 0 0 422.460 5.404 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000015356288 568879280 /nfs/dbraw/zinc/87/92/80/568879280.db2.gz WBTOHAPJRGDDES-UHFFFAOYSA-N 0 0 420.925 5.779 50 0 HKAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000015356464 558735621 /nfs/dbraw/zinc/73/56/21/558735621.db2.gz JKQWQZNHMRAFIX-UHFFFAOYSA-N 0 0 420.513 5.207 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015356674 568879908 /nfs/dbraw/zinc/87/99/08/568879908.db2.gz QVLWIMJAYRSDQO-UHFFFAOYSA-N 0 0 422.699 5.502 50 0 HKAARN O=C(c1cc(F)c(F)cc1Cl)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015356694 558735626 /nfs/dbraw/zinc/73/56/26/558735626.db2.gz OXXRCGWFFMOOOW-UHFFFAOYSA-N 0 0 424.234 5.126 50 0 HKAARN O=C(Nc1ccccc1N1CCCC1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000015356810 568879838 /nfs/dbraw/zinc/87/98/38/568879838.db2.gz FQHPYQYMIJPDNW-UHFFFAOYSA-N 0 0 405.112 5.548 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)CNc3ccccc3N3CCCCC3)c2)cs1 ZINC000015357180 132461493 /nfs/dbraw/zinc/46/14/93/132461493.db2.gz HWIBEWBTOSHDIK-UHFFFAOYSA-N 0 0 406.555 5.159 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000015358757 558735567 /nfs/dbraw/zinc/73/55/67/558735567.db2.gz WJXNMEKKVWOKML-NRFANRHFSA-N 0 0 418.921 5.175 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000015358758 558735660 /nfs/dbraw/zinc/73/56/60/558735660.db2.gz WJXNMEKKVWOKML-OAQYLSRUSA-N 0 0 418.921 5.175 50 0 HKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)cc1Cl ZINC000015375523 568884330 /nfs/dbraw/zinc/88/43/30/568884330.db2.gz IFLBPEOEZAOUDG-UHFFFAOYSA-N 0 0 418.349 5.261 50 0 HKAARN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000015394725 558737770 /nfs/dbraw/zinc/73/77/70/558737770.db2.gz BFMKPCYHHNHHAA-SNVBAGLBSA-N 0 0 402.260 5.170 50 0 HKAARN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000015394726 558737692 /nfs/dbraw/zinc/73/76/92/558737692.db2.gz BFMKPCYHHNHHAA-JTQLQIEISA-N 0 0 402.260 5.170 50 0 HKAARN Cc1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)C(=O)c3ccccc32)c(C)c1 ZINC000015401543 132461530 /nfs/dbraw/zinc/46/15/30/132461530.db2.gz YKVPDKIDQZVIIG-STZFKDTASA-N 0 0 402.881 5.597 50 0 HKAARN Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015412205 558738089 /nfs/dbraw/zinc/73/80/89/558738089.db2.gz PPHXYOGVFOAINC-SANMLTNESA-N 0 0 412.533 5.350 50 0 HKAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015412208 132461556 /nfs/dbraw/zinc/46/15/56/132461556.db2.gz PPHXYOGVFOAINC-AREMUKBSSA-N 0 0 412.533 5.350 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2/C=C/c2ccccc2)c(C)c1 ZINC000015412288 558738191 /nfs/dbraw/zinc/73/81/91/558738191.db2.gz LIKADVYDGSRTOX-YVIRBKRRSA-N 0 0 410.517 5.074 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2/C=C/c2ccccc2)c(C)c1 ZINC000015412291 558738200 /nfs/dbraw/zinc/73/82/00/558738200.db2.gz LIKADVYDGSRTOX-SXKZTFQGSA-N 0 0 410.517 5.074 50 0 HKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(C)cc1 ZINC000015412331 558738129 /nfs/dbraw/zinc/73/81/29/558738129.db2.gz ULMIPQCNKBEGRQ-WRINRREJSA-N 0 0 424.544 5.464 50 0 HKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(C)cc1 ZINC000015412334 558738096 /nfs/dbraw/zinc/73/80/96/558738096.db2.gz ULMIPQCNKBEGRQ-PCLGYLGWSA-N 0 0 424.544 5.464 50 0 HKAARN CSc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 ZINC000015412337 132461581 /nfs/dbraw/zinc/46/15/81/132461581.db2.gz JZNLULDARNXOPR-DEOSSOPVSA-N 0 0 416.546 5.146 50 0 HKAARN CSc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 ZINC000015412340 132461579 /nfs/dbraw/zinc/46/15/79/132461579.db2.gz JZNLULDARNXOPR-XMMPIXPASA-N 0 0 416.546 5.146 50 0 HKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)c1C ZINC000015412449 558738319 /nfs/dbraw/zinc/73/83/19/558738319.db2.gz VVKVYKVUWMCNLK-QHCPKHFHSA-N 0 0 404.897 5.078 50 0 HKAARN Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)c1C ZINC000015412451 558738322 /nfs/dbraw/zinc/73/83/22/558738322.db2.gz VVKVYKVUWMCNLK-HSZRJFAPSA-N 0 0 404.897 5.078 50 0 HKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)cc1C ZINC000015412510 558738395 /nfs/dbraw/zinc/73/83/95/558738395.db2.gz TXRDNNKPPFUSFH-QHCPKHFHSA-N 0 0 404.897 5.078 50 0 HKAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)cc1C ZINC000015412512 132461602 /nfs/dbraw/zinc/46/16/02/132461602.db2.gz TXRDNNKPPFUSFH-HSZRJFAPSA-N 0 0 404.897 5.078 50 0 HKAARN Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412582 558738362 /nfs/dbraw/zinc/73/83/62/558738362.db2.gz UKJGGQXSPBFIPL-DEOSSOPVSA-N 0 0 418.924 5.386 50 0 HKAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412584 558738315 /nfs/dbraw/zinc/73/83/15/558738315.db2.gz UKJGGQXSPBFIPL-XMMPIXPASA-N 0 0 418.924 5.386 50 0 HKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)cc1 ZINC000015412668 132461591 /nfs/dbraw/zinc/46/15/91/132461591.db2.gz XWEYPVZUJUASBR-UJLHVFMHSA-N 0 0 424.544 5.464 50 0 HKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)cc1 ZINC000015412671 558738351 /nfs/dbraw/zinc/73/83/51/558738351.db2.gz XWEYPVZUJUASBR-POVALPJUSA-N 0 0 424.544 5.464 50 0 HKAARN C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccccc1 ZINC000015412761 132461616 /nfs/dbraw/zinc/46/16/16/132461616.db2.gz CJZXHVJIJJXSKJ-YMBKFGRISA-N 0 0 410.517 5.155 50 0 HKAARN C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccccc1 ZINC000015412764 132461617 /nfs/dbraw/zinc/46/16/17/132461617.db2.gz CJZXHVJIJJXSKJ-KGSORJMFSA-N 0 0 410.517 5.155 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2cccs2)c(C)c1 ZINC000015412843 558738365 /nfs/dbraw/zinc/73/83/65/558738365.db2.gz GRJQRLYCPMJBKZ-QHCPKHFHSA-N 0 0 404.535 5.103 50 0 HKAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2cccs2)c(C)c1 ZINC000015412846 558738307 /nfs/dbraw/zinc/73/83/07/558738307.db2.gz GRJQRLYCPMJBKZ-HSZRJFAPSA-N 0 0 404.535 5.103 50 0 HKAARN CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 ZINC000015413417 132461669 /nfs/dbraw/zinc/46/16/69/132461669.db2.gz HYILEDZVEXRNKL-DEOSSOPVSA-N 0 0 416.546 5.146 50 0 HKAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 ZINC000015413420 558738564 /nfs/dbraw/zinc/73/85/64/558738564.db2.gz HYILEDZVEXRNKL-XMMPIXPASA-N 0 0 416.546 5.146 50 0 HKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413440 132461660 /nfs/dbraw/zinc/46/16/60/132461660.db2.gz QXILEWXBCBCMHG-SANMLTNESA-N 0 0 412.533 5.548 50 0 HKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015413443 558738470 /nfs/dbraw/zinc/73/84/70/558738470.db2.gz QXILEWXBCBCMHG-AREMUKBSSA-N 0 0 412.533 5.548 50 0 HKAARN C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Cc3ccncc3)cc2)C1=O ZINC000015413879 558738771 /nfs/dbraw/zinc/73/87/71/558738771.db2.gz KGOJXVPPCUEVQF-HHIIEYADSA-N 0 0 408.611 6.073 50 0 HKAARN C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Cc3ccncc3)cc2)C1=O ZINC000015413882 558738789 /nfs/dbraw/zinc/73/87/89/558738789.db2.gz KGOJXVPPCUEVQF-MFDWQKDMSA-N 0 0 408.611 6.073 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2cc(C(C)C)c(O)c(C(C)C)c2)nc2ncccn21 ZINC000015414280 558738892 /nfs/dbraw/zinc/73/88/92/558738892.db2.gz FPQUPXLNOGPJAO-UHFFFAOYSA-N 0 0 414.553 6.709 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000015421794 558739539 /nfs/dbraw/zinc/73/95/39/558739539.db2.gz NDCZLYZKSRCKTF-UHFFFAOYSA-N 0 0 415.880 5.766 50 0 HKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1cccnc1 ZINC000015422988 558739552 /nfs/dbraw/zinc/73/95/52/558739552.db2.gz WTTUEEZJHBNYGP-OUKQBFOZSA-N 0 0 420.472 5.010 50 0 HKAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000015433838 558739698 /nfs/dbraw/zinc/73/96/98/558739698.db2.gz XQWKHYQMVXHUNT-UHFFFAOYSA-N 0 0 407.517 5.392 50 0 HKAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000015441323 558740262 /nfs/dbraw/zinc/74/02/62/558740262.db2.gz FRRKHRIVHWYQFW-UHFFFAOYSA-N 0 0 424.888 5.097 50 0 HKAARN FC(F)Sc1nnc(COc2ccc(Cl)c3cccnc23)n1-c1ccccc1 ZINC000015441344 558740160 /nfs/dbraw/zinc/74/01/60/558740160.db2.gz LKNZENKRYUDFDM-UHFFFAOYSA-N 0 0 418.856 5.363 50 0 HKAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015448429 558740193 /nfs/dbraw/zinc/74/01/93/558740193.db2.gz VEZPWJQZWJQZFH-UHFFFAOYSA-N 0 0 412.795 5.186 50 0 HKAARN C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000015449210 569028924 /nfs/dbraw/zinc/02/89/24/569028924.db2.gz WQLVFSAGQJTQCK-UNWKUKKGSA-N 0 0 414.630 5.714 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(C(C)(C)C)cc2)o1 ZINC000015452117 558740499 /nfs/dbraw/zinc/74/04/99/558740499.db2.gz SGOVAADDMUMSKH-UHFFFAOYSA-N 0 0 405.523 6.290 50 0 HKAARN O=C(Nc1ccc(C2=NNC(=Nc3cccc(Cl)c3)SC2)cc1)c1ccccc1 ZINC000015452833 568916061 /nfs/dbraw/zinc/91/60/61/568916061.db2.gz SEWXOSCNWPYISU-UHFFFAOYSA-N 0 0 420.925 5.511 50 0 HKAARN COc1cc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(F)F ZINC000015462830 558740522 /nfs/dbraw/zinc/74/05/22/558740522.db2.gz LDLWVCIZOAJFSO-UHFFFAOYSA-N 0 0 413.420 5.361 50 0 HKAARN C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000015492193 568937134 /nfs/dbraw/zinc/93/71/34/568937134.db2.gz KEKUBVWEJZPAQK-GFCCVEGCSA-N 0 0 403.853 5.498 50 0 HKAARN C[C@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000015492194 568937097 /nfs/dbraw/zinc/93/70/97/568937097.db2.gz KEKUBVWEJZPAQK-LBPRGKRZSA-N 0 0 403.853 5.498 50 0 HKAARN O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1ccccc1Br ZINC000015496795 568938181 /nfs/dbraw/zinc/93/81/81/568938181.db2.gz QJDWKNLITPWXLC-UHFFFAOYSA-N 0 0 404.251 5.340 50 0 HKAARN C[C@@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1ccc(Br)cc1 ZINC000015500396 568940789 /nfs/dbraw/zinc/94/07/89/568940789.db2.gz NOPWLLDHCQEMKV-GFCCVEGCSA-N 0 0 423.401 5.367 50 0 HKAARN C[C@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1ccc(Br)cc1 ZINC000015500398 568940709 /nfs/dbraw/zinc/94/07/09/568940709.db2.gz NOPWLLDHCQEMKV-LBPRGKRZSA-N 0 0 423.401 5.367 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1csc(-c3ccccn3)n1)oc1ccccc12 ZINC000015512702 558741986 /nfs/dbraw/zinc/74/19/86/558741986.db2.gz GHSWNOREPCCXMR-UHFFFAOYSA-N 0 0 415.474 5.294 50 0 HKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000015514573 568944925 /nfs/dbraw/zinc/94/49/25/568944925.db2.gz YCYHOMOCNIQJQM-UHFFFAOYSA-N 0 0 407.473 5.462 50 0 HKAARN O=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1Cl ZINC000015515832 568944577 /nfs/dbraw/zinc/94/45/77/568944577.db2.gz FTRWVRMSRFGJBM-UHFFFAOYSA-N 0 0 421.667 5.513 50 0 HKAARN CC(=O)N1CCc2cc(N[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)ccc21 ZINC000015525535 558742365 /nfs/dbraw/zinc/74/23/65/558742365.db2.gz LZOXSMJYGWTTAB-RUZDIDTESA-N 0 0 409.489 5.113 50 0 HKAARN CC(=O)N1CCc2cc(N[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)ccc21 ZINC000015525537 558742338 /nfs/dbraw/zinc/74/23/38/558742338.db2.gz LZOXSMJYGWTTAB-VWLOTQADSA-N 0 0 409.489 5.113 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3cccnc3Cl)ccc2OC(F)F)cc1 ZINC000015538996 568947401 /nfs/dbraw/zinc/94/74/01/568947401.db2.gz TWPWGQVMFCHMFB-UHFFFAOYSA-N 0 0 404.800 5.264 50 0 HKAARN Cc1nc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)ccc2o1 ZINC000015541582 558743104 /nfs/dbraw/zinc/74/31/04/558743104.db2.gz AFFFWPSPWIXKJY-UHFFFAOYSA-N 0 0 400.463 5.303 50 0 HKAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000015542576 568947675 /nfs/dbraw/zinc/94/76/75/568947675.db2.gz GUBJLSSXOZNXKX-UHFFFAOYSA-N 0 0 424.460 5.250 50 0 HKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1Br ZINC000015544181 558743282 /nfs/dbraw/zinc/74/32/82/558743282.db2.gz SKWMNLPJWSDNAE-UHFFFAOYSA-N 0 0 413.296 5.249 50 0 HKAARN COc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)ccc1OCCC(C)C ZINC000015544467 558743306 /nfs/dbraw/zinc/74/33/06/558743306.db2.gz ISPJEQCGWRDNKZ-UHFFFAOYSA-N 0 0 410.510 5.039 50 0 HKAARN Cc1c(O)ccc2c(CN3CCc4sccc4[C@@H]3c3cccs3)cc(=O)oc12 ZINC000015548768 558743595 /nfs/dbraw/zinc/74/35/95/558743595.db2.gz HQCIOLMMCVAIEY-OAQYLSRUSA-N 0 0 409.532 5.078 50 0 HKAARN Cc1c(O)ccc2c(CN3CCc4sccc4[C@H]3c3cccs3)cc(=O)oc12 ZINC000015548769 558743500 /nfs/dbraw/zinc/74/35/00/558743500.db2.gz HQCIOLMMCVAIEY-NRFANRHFSA-N 0 0 409.532 5.078 50 0 HKAARN COc1ccc(-c2noc(CN3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 ZINC000015548829 558743615 /nfs/dbraw/zinc/74/36/15/558743615.db2.gz NDYGDUPWUYUQGQ-HXUWFJFHSA-N 0 0 409.536 5.016 50 0 HKAARN COc1ccc(-c2noc(CN3CCc4sccc4[C@H]3c3cccs3)n2)cc1 ZINC000015548830 558743577 /nfs/dbraw/zinc/74/35/77/558743577.db2.gz NDYGDUPWUYUQGQ-FQEVSTJZSA-N 0 0 409.536 5.016 50 0 HKAARN CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(N)=O)c2)cc1 ZINC000015554230 558743527 /nfs/dbraw/zinc/74/35/27/558743527.db2.gz FFKFHFKUQYVKDN-UHFFFAOYSA-N 0 0 424.504 5.014 50 0 HKAARN Cc1nc2cc(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)ccc2o1 ZINC000015574631 568950989 /nfs/dbraw/zinc/95/09/89/568950989.db2.gz ZXLAANHXPSHCEX-UHFFFAOYSA-N 0 0 420.469 5.296 50 0 HKAARN C[C@H](c1ccccc1)N(C)C(=O)c1cc(Br)c(Br)s1 ZINC000015578332 568951241 /nfs/dbraw/zinc/95/12/41/568951241.db2.gz JUTJDONTXMQETP-SECBINFHSA-N 0 0 403.139 5.106 50 0 HKAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Br)c(Br)s1 ZINC000015578334 568951258 /nfs/dbraw/zinc/95/12/58/568951258.db2.gz JUTJDONTXMQETP-VIFPVBQESA-N 0 0 403.139 5.106 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)c1 ZINC000015578841 568951312 /nfs/dbraw/zinc/95/13/12/568951312.db2.gz ISFZXIAZVHOGJK-UHFFFAOYSA-N 0 0 415.468 5.504 50 0 HKAARN CCOC(=O)Nc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000015581343 558744592 /nfs/dbraw/zinc/74/45/92/558744592.db2.gz OYMOIRPUEOYOJP-UHFFFAOYSA-N 0 0 404.422 5.415 50 0 HKAARN O=C(Oc1ccc(C2CCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000015583272 558744794 /nfs/dbraw/zinc/74/47/94/558744794.db2.gz ZQUWCCGIOVJCCC-UHFFFAOYSA-N 0 0 424.500 5.653 50 0 HKAARN CC[C@@H](C)[C@@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 ZINC000015583634 558744788 /nfs/dbraw/zinc/74/47/88/558744788.db2.gz PBUNYVUZBUNPFF-SJKOYZFVSA-N 0 0 403.345 5.827 50 0 HKAARN CC[C@H](C)[C@@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 ZINC000015583637 558744839 /nfs/dbraw/zinc/74/48/39/558744839.db2.gz PBUNYVUZBUNPFF-YVEFUNNKSA-N 0 0 403.345 5.827 50 0 HKAARN CC[C@@H](C)[C@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 ZINC000015583640 558744846 /nfs/dbraw/zinc/74/48/46/558744846.db2.gz PBUNYVUZBUNPFF-PXAZEXFGSA-N 0 0 403.345 5.827 50 0 HKAARN CC[C@H](C)[C@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 ZINC000015583642 558744831 /nfs/dbraw/zinc/74/48/31/558744831.db2.gz PBUNYVUZBUNPFF-SJCJKPOMSA-N 0 0 403.345 5.827 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3c(C)noc3C(C)C)ccc2OC(F)F)cc1 ZINC000015599928 568954050 /nfs/dbraw/zinc/95/40/50/568954050.db2.gz JFKCXBUIQLSJQK-UHFFFAOYSA-N 0 0 416.424 5.636 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000015602773 568954032 /nfs/dbraw/zinc/95/40/32/568954032.db2.gz QOOHJIIVKIRAPP-UHFFFAOYSA-N 0 0 400.475 5.083 50 0 HKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)cc(C)cc3Cl)s2)cc1OC ZINC000015606428 568954126 /nfs/dbraw/zinc/95/41/26/568954126.db2.gz TUJKDIJGKVVBPJ-UHFFFAOYSA-N 0 0 416.930 5.658 50 0 HKAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1nc(-c2ccsc2)no1 ZINC000015611270 568954771 /nfs/dbraw/zinc/95/47/71/568954771.db2.gz FFTJIVXISUURGE-UHFFFAOYSA-N 0 0 411.571 5.004 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)cc2)cs1 ZINC000015613763 558746397 /nfs/dbraw/zinc/74/63/97/558746397.db2.gz ZLILCNXZXZKIPK-UHFFFAOYSA-N 0 0 419.575 6.040 50 0 HKAARN O=C(Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1Cl)c1cccs1 ZINC000015615886 558746516 /nfs/dbraw/zinc/74/65/16/558746516.db2.gz QPOWQESHXWQYHL-UHFFFAOYSA-N 0 0 423.925 5.108 50 0 HKAARN O=C(CCCSc1nnc(NCc2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000015623743 558746754 /nfs/dbraw/zinc/74/67/54/558746754.db2.gz UESVSHRGLWMCRB-UHFFFAOYSA-N 0 0 405.495 5.184 50 0 HKAARN Fc1cccc(Cl)c1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000015634747 558746988 /nfs/dbraw/zinc/74/69/88/558746988.db2.gz FPHFESWKAGWIIW-UHFFFAOYSA-N 0 0 422.937 7.287 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015641572 558747191 /nfs/dbraw/zinc/74/71/91/558747191.db2.gz LLPLIMVWKVIMOX-UHFFFAOYSA-N 0 0 408.914 5.269 50 0 HKAARN COc1ccc(Cl)cc1CN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000015642190 558747306 /nfs/dbraw/zinc/74/73/06/558747306.db2.gz GMILUDNZSYHYCF-UHFFFAOYSA-N 0 0 414.937 5.070 50 0 HKAARN CCCn1c(C)cc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c1C ZINC000015651872 558747595 /nfs/dbraw/zinc/74/75/95/558747595.db2.gz QQABHEQPYSQCOG-UHFFFAOYSA-N 0 0 409.342 5.593 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c(OC)c1 ZINC000015654243 558747661 /nfs/dbraw/zinc/74/76/61/558747661.db2.gz ZADFDHZADAGKCI-UHFFFAOYSA-N 0 0 420.490 5.390 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000015657276 558747808 /nfs/dbraw/zinc/74/78/08/558747808.db2.gz VGNYLGMHXKBKBX-UHFFFAOYSA-N 0 0 404.491 5.771 50 0 HKAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000015658263 568959471 /nfs/dbraw/zinc/95/94/71/568959471.db2.gz HQIMDSCGCQQSSB-UHFFFAOYSA-N 0 0 410.304 5.573 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1Cl ZINC000015658916 558747843 /nfs/dbraw/zinc/74/78/43/558747843.db2.gz PDRAXEYFKNQPPK-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(N[C@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000015660071 558748017 /nfs/dbraw/zinc/74/80/17/558748017.db2.gz OGFMYUMMABBOAC-FQEVSTJZSA-N 0 0 421.755 5.098 50 0 HKAARN CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000015669736 568961215 /nfs/dbraw/zinc/96/12/15/568961215.db2.gz HLWVCEZYEXKIQF-UHFFFAOYSA-N 0 0 416.481 5.025 50 0 HKAARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000015669737 568961238 /nfs/dbraw/zinc/96/12/38/568961238.db2.gz AUAOEXYKGVDDTE-UHFFFAOYSA-N 0 0 416.481 5.170 50 0 HKAARN Cc1cc(C)c2oc(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)cc(=O)c2c1 ZINC000015669869 558748043 /nfs/dbraw/zinc/74/80/43/558748043.db2.gz MPSUHIREAKSKHQ-UHFFFAOYSA-N 0 0 418.880 5.305 50 0 HKAARN CCc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 ZINC000015669873 558747965 /nfs/dbraw/zinc/74/79/65/558747965.db2.gz JTGIQZNDJLKRLZ-UHFFFAOYSA-N 0 0 418.880 5.251 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000015669889 558748061 /nfs/dbraw/zinc/74/80/61/558748061.db2.gz LTKANAOJWWQUJJ-UHFFFAOYSA-N 0 0 400.385 5.617 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccco1)N(C1CCCCC1)C3=O ZINC000015670725 568961794 /nfs/dbraw/zinc/96/17/94/568961794.db2.gz QRBUTPVUDOCRJA-FQEVSTJZSA-N 0 0 411.527 5.243 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccco1)N(C1CCCCC1)C3=O ZINC000015670726 568961947 /nfs/dbraw/zinc/96/19/47/568961947.db2.gz QRBUTPVUDOCRJA-HXUWFJFHSA-N 0 0 411.527 5.243 50 0 HKAARN COc1ccccc1OCC(=O)N(C)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670871 558748226 /nfs/dbraw/zinc/74/82/26/558748226.db2.gz RMSAEMKDHBFJQK-SANMLTNESA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccccc1OCC(=O)N(C)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670872 558748215 /nfs/dbraw/zinc/74/82/15/558748215.db2.gz RMSAEMKDHBFJQK-AREMUKBSSA-N 0 0 414.505 5.112 50 0 HKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccc(OC)cc4)no3)c2)cc1 ZINC000015671106 568961605 /nfs/dbraw/zinc/96/16/05/568961605.db2.gz DWLAZWDQTHHQNM-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015671160 568961622 /nfs/dbraw/zinc/96/16/22/568961622.db2.gz JQQHNWJUMRAAEO-UHFFFAOYSA-N 0 0 409.489 5.391 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccc(C)c4)cc3)nc(C)n2)cc1 ZINC000015671218 568961617 /nfs/dbraw/zinc/96/16/17/568961617.db2.gz OCZLSFPBXXSGDI-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccc(C)cc4)cc3)nc(C)n2)cc1 ZINC000015671219 568961613 /nfs/dbraw/zinc/96/16/13/568961613.db2.gz NLIUUJAMYQQVQJ-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN Cc1ccc(Cl)c(OC[C@@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c1 ZINC000015671396 558748520 /nfs/dbraw/zinc/74/85/20/558748520.db2.gz HIGBVHBBSIOBLB-IBGZPJMESA-N 0 0 406.913 5.029 50 0 HKAARN Cc1ccc(Cl)c(OC[C@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c1 ZINC000015671397 558748562 /nfs/dbraw/zinc/74/85/62/558748562.db2.gz HIGBVHBBSIOBLB-LJQANCHMSA-N 0 0 406.913 5.029 50 0 HKAARN CC(C)(C)c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000015671398 558748515 /nfs/dbraw/zinc/74/85/15/558748515.db2.gz VKHBRCDKKAMXSL-QFIPXVFZSA-N 0 0 414.549 5.365 50 0 HKAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000015671399 558748474 /nfs/dbraw/zinc/74/84/74/558748474.db2.gz VKHBRCDKKAMXSL-JOCHJYFZSA-N 0 0 414.549 5.365 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1Cl ZINC000015671415 568962150 /nfs/dbraw/zinc/96/21/50/568962150.db2.gz RHBGSRGXIYMQIS-UHFFFAOYSA-N 0 0 417.900 5.354 50 0 HKAARN Cc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccc(Cl)cc2)cc1 ZINC000015671462 568962159 /nfs/dbraw/zinc/96/21/59/568962159.db2.gz UEMMUMNPQKHJEE-UHFFFAOYSA-N 0 0 413.908 5.749 50 0 HKAARN Cc1cccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccc(Cl)cc2)c1 ZINC000015671463 568962201 /nfs/dbraw/zinc/96/22/01/568962201.db2.gz XFGYNUJUUPIXFZ-UHFFFAOYSA-N 0 0 413.908 5.749 50 0 HKAARN Cn1c2cn(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccccc1 ZINC000015671466 568962022 /nfs/dbraw/zinc/96/20/22/568962022.db2.gz KGIBTMNXCRTISI-UHFFFAOYSA-N 0 0 417.871 5.579 50 0 HKAARN CCN1c2cc(NC(=O)Nc3ccc(OC)cc3)ccc2Sc2ccccc2C1=O ZINC000015671864 568962308 /nfs/dbraw/zinc/96/23/08/568962308.db2.gz GNIPTZKEVXVJEI-UHFFFAOYSA-N 0 0 419.506 5.471 50 0 HKAARN CCN1c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2Sc2ccccc2C1=O ZINC000015671866 568962375 /nfs/dbraw/zinc/96/23/75/568962375.db2.gz NHSCFEOSDBOAOW-UHFFFAOYSA-N 0 0 423.925 6.115 50 0 HKAARN CCN1c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000015671868 568962331 /nfs/dbraw/zinc/96/23/31/568962331.db2.gz UJOAFOIUWKZMSV-UHFFFAOYSA-N 0 0 423.925 6.115 50 0 HKAARN CCN1c2cc(NC(=O)Nc3ccccc3F)ccc2Sc2ccccc2C1=O ZINC000015671879 568962305 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Cc1ccc(-c2nc(C(=O)Nc3nc4ccccc4s3)c3n2CCCCC3)cc1 ZINC000015677654 568965506 /nfs/dbraw/zinc/96/55/06/568965506.db2.gz BRLCKIMSHYZQTP-UHFFFAOYSA-N 0 0 402.523 5.447 50 0 HKAARN CCOc1ccccc1N(C)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677685 568966086 /nfs/dbraw/zinc/96/60/86/568966086.db2.gz OTDOAWUVXYFWGJ-UHFFFAOYSA-N 0 0 403.526 5.260 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N3CC=C(c4ccccc4)CC3)c3n2CCCCC3)cc1 ZINC000015677710 568966101 /nfs/dbraw/zinc/96/61/01/568966101.db2.gz RXCSEMYLNFVMQC-UHFFFAOYSA-N 0 0 411.549 5.514 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C(C)C)c3n2CCCCC3)cc1 ZINC000015677711 568966093 /nfs/dbraw/zinc/96/60/93/568966093.db2.gz LKQCBFSDPGHOOS-UHFFFAOYSA-N 0 0 401.554 5.636 50 0 HKAARN CCOc1ccccc1N(CC)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677717 568966124 /nfs/dbraw/zinc/96/61/24/568966124.db2.gz JEIVSOGOJZWJNK-UHFFFAOYSA-N 0 0 417.553 5.650 50 0 HKAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCc1ccccc1 ZINC000015678322 568965953 /nfs/dbraw/zinc/96/59/53/568965953.db2.gz 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ZINC000015678430 568966261 /nfs/dbraw/zinc/96/62/61/568966261.db2.gz QMGVNTDGZZRZMQ-UHFFFAOYSA-N 0 0 402.563 5.351 50 0 HKAARN Cc1ccccc1Cn1cc(CCC(=O)NCc2ccccc2F)c2ccccc21 ZINC000015678439 568966301 /nfs/dbraw/zinc/96/63/01/568966301.db2.gz SQEYACCAJGKTIY-UHFFFAOYSA-N 0 0 400.497 5.386 50 0 HKAARN Cc1ccccc1Cn1cc(CCC(=O)NCc2cccc(F)c2)c2ccccc21 ZINC000015678441 568966239 /nfs/dbraw/zinc/96/62/39/568966239.db2.gz KLNWSMGOAKKQAF-UHFFFAOYSA-N 0 0 400.497 5.386 50 0 HKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCCc3ccccc3)c3ccccc32)c1 ZINC000015678448 568966245 /nfs/dbraw/zinc/96/62/45/568966245.db2.gz ASUJQYNCFDAVAD-UHFFFAOYSA-N 0 0 410.561 5.598 50 0 HKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3cccs3)c3ccccc32)c1 ZINC000015678453 568966251 /nfs/dbraw/zinc/96/62/51/568966251.db2.gz HVFCLTVDRYXFAI-UHFFFAOYSA-N 0 0 402.563 5.617 50 0 HKAARN Cc1ccc(C)c(Cn2cc(CCC(=O)NCCc3cccs3)c3ccccc32)c1 ZINC000015678454 568966355 /nfs/dbraw/zinc/96/63/55/568966355.db2.gz FNHIEGXGOOVZOY-UHFFFAOYSA-N 0 0 416.590 5.659 50 0 HKAARN O=C(Nc1nc2ccccc2s1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679042 568966698 /nfs/dbraw/zinc/96/66/98/568966698.db2.gz HAWMKLQJMCUSSK-UHFFFAOYSA-N 0 0 406.486 5.278 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679045 568966696 /nfs/dbraw/zinc/96/66/96/568966696.db2.gz HCNOQUXENYGREZ-UHFFFAOYSA-N 0 0 417.406 5.687 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679049 568966654 /nfs/dbraw/zinc/96/66/54/568966654.db2.gz PHLICLRGQZQFCH-UHFFFAOYSA-N 0 0 401.844 5.460 50 0 HKAARN COc1ccc(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)cc1Cl ZINC000015679050 568966645 /nfs/dbraw/zinc/96/66/45/568966645.db2.gz QLIJVZRJXNZDGB-UHFFFAOYSA-N 0 0 413.880 5.330 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679054 568966672 /nfs/dbraw/zinc/96/66/72/568966672.db2.gz BPRCWAXKQRPUOC-UHFFFAOYSA-N 0 0 413.880 5.330 50 0 HKAARN CCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679632 568966864 /nfs/dbraw/zinc/96/68/64/568966864.db2.gz KIBKAPMPLSZXOW-SANMLTNESA-N 0 0 421.585 5.009 50 0 HKAARN CCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015679633 568966878 /nfs/dbraw/zinc/96/68/78/568966878.db2.gz KIBKAPMPLSZXOW-AREMUKBSSA-N 0 0 421.585 5.009 50 0 HKAARN Fc1cccc(CSc2nc3cccnc3n2Cc2c(F)cccc2Cl)c1 ZINC000015679839 568966828 /nfs/dbraw/zinc/96/68/28/568966828.db2.gz ONIYVMXVJLQIAJ-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN Fc1cccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2Cl)c1 ZINC000015679840 568966761 /nfs/dbraw/zinc/96/67/61/568966761.db2.gz ANXKGXWFCSPARZ-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccc(C)cc1)CCCC3 ZINC000015680364 568967223 /nfs/dbraw/zinc/96/72/23/568967223.db2.gz RQAUIZQUZUCLSZ-UHFFFAOYSA-N 0 0 410.539 5.073 50 0 HKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cccc(C)c1)CCCC3 ZINC000015680368 568967201 /nfs/dbraw/zinc/96/72/01/568967201.db2.gz ZLAJNBDLUMMLML-UHFFFAOYSA-N 0 0 410.539 5.073 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2cccc(C(F)(F)F)c2)n1 ZINC000015680936 568967329 /nfs/dbraw/zinc/96/73/29/568967329.db2.gz XXZHRYHYHCYZNS-UHFFFAOYSA-N 0 0 417.822 5.848 50 0 HKAARN Cc1ccc(CCNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000015680954 568967467 /nfs/dbraw/zinc/96/74/67/568967467.db2.gz XOWZEZGSDJSPRG-UHFFFAOYSA-N 0 0 407.945 5.211 50 0 HKAARN CCOc1ccccc1N(C)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680964 568967448 /nfs/dbraw/zinc/96/74/48/568967448.db2.gz OXPJXKIDUBVZKA-UHFFFAOYSA-N 0 0 423.944 5.605 50 0 HKAARN COc1ccc2nc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)sc2c1 ZINC000015681067 568967812 /nfs/dbraw/zinc/96/78/12/568967812.db2.gz KWDXMBAKZLZYHK-UHFFFAOYSA-N 0 0 414.577 5.472 50 0 HKAARN Cc1ccc(-n2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 ZINC000015681242 568967943 /nfs/dbraw/zinc/96/79/43/568967943.db2.gz FKKCQFGEWZJPMF-UHFFFAOYSA-N 0 0 410.399 5.243 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015681377 568967998 /nfs/dbraw/zinc/96/79/98/568967998.db2.gz ITAQNSWTCBLUMJ-UHFFFAOYSA-N 0 0 424.426 5.551 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000015681395 568967939 /nfs/dbraw/zinc/96/79/39/568967939.db2.gz JGPYVGXOPUDKPE-UHFFFAOYSA-N 0 0 404.901 5.494 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681402 568967938 /nfs/dbraw/zinc/96/79/38/568967938.db2.gz WCVXGBZOWPFRDR-UHFFFAOYSA-N 0 0 402.523 5.254 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000015681449 568967944 /nfs/dbraw/zinc/96/79/44/568967944.db2.gz KRFADIZASPLDEN-UHFFFAOYSA-N 0 0 404.901 5.494 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000015681451 568968014 /nfs/dbraw/zinc/96/80/14/568968014.db2.gz VYBPIOMRDIXCPV-UHFFFAOYSA-N 0 0 404.901 5.494 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000015681647 568968102 /nfs/dbraw/zinc/96/81/02/568968102.db2.gz XAEGCZSKTRYFSM-UHFFFAOYSA-N 0 0 408.864 5.325 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1COc1ccccc1 ZINC000015682067 568968513 /nfs/dbraw/zinc/96/85/13/568968513.db2.gz SDVYMQMMYABRNI-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)nc1COc1ccccc1 ZINC000015682069 568968582 /nfs/dbraw/zinc/96/85/82/568968582.db2.gz OSJQBTXHBRNLQX-UHFFFAOYSA-N 0 0 412.489 5.467 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)nc1COc1ccccc1 ZINC000015682071 568968444 /nfs/dbraw/zinc/96/84/44/568968444.db2.gz XSWZSZKTPLPMHS-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)nc1COc1ccccc1 ZINC000015682075 568968499 /nfs/dbraw/zinc/96/84/99/568968499.db2.gz AKFYGOBJNKCUQK-UHFFFAOYSA-N 0 0 412.489 5.467 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1COc1ccccc1 ZINC000015682076 568968571 /nfs/dbraw/zinc/96/85/71/568968571.db2.gz QVNYBCSJCWGRIR-UHFFFAOYSA-N 0 0 412.489 5.202 50 0 biogenic HKAARN Cc1oc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)nc1COc1ccccc1 ZINC000015682077 568968589 /nfs/dbraw/zinc/96/85/89/568968589.db2.gz XNYZCCGXQBCPKK-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3C)cc2)nc1COc1ccccc1 ZINC000015682093 568968597 /nfs/dbraw/zinc/96/85/97/568968597.db2.gz DPKUZZJTUJDAAB-UHFFFAOYSA-N 0 0 412.489 5.467 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682098 568968525 /nfs/dbraw/zinc/96/85/25/568968525.db2.gz YZXYKJVCNVBVDK-UHFFFAOYSA-N 0 0 412.489 5.467 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682103 568968531 /nfs/dbraw/zinc/96/85/31/568968531.db2.gz HRBFPFVFEMWSBA-UHFFFAOYSA-N 0 0 418.537 5.990 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3C)cc2)nc1COc1ccc(C)cc1 ZINC000015682111 568968481 /nfs/dbraw/zinc/96/84/81/568968481.db2.gz GMYWILJAEVNIEF-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682135 568968453 /nfs/dbraw/zinc/96/84/53/568968453.db2.gz AGDHJHNHVLDPAK-UHFFFAOYSA-N 0 0 412.489 6.098 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682136 568968550 /nfs/dbraw/zinc/96/85/50/568968550.db2.gz OIMJKSHEILKUCA-UHFFFAOYSA-N 0 0 404.510 5.600 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682165 526727987 /nfs/dbraw/zinc/72/79/87/526727987.db2.gz BOPAVHMAMPZVDQ-UHFFFAOYSA-N 0 0 406.551 5.923 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682177 568968460 /nfs/dbraw/zinc/96/84/60/568968460.db2.gz WXPPBIVTCLRURF-UHFFFAOYSA-N 0 0 408.567 6.027 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682180 568968486 /nfs/dbraw/zinc/96/84/86/568968486.db2.gz VJPIUFLYHFNZNA-FQEVSTJZSA-N 0 0 422.550 5.160 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682181 526729686 /nfs/dbraw/zinc/72/96/86/526729686.db2.gz VJPIUFLYHFNZNA-HXUWFJFHSA-N 0 0 422.550 5.160 50 0 HKAARN CCOCCCNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682185 568968556 /nfs/dbraw/zinc/96/85/56/568968556.db2.gz ZLLLLXAKFAWRMZ-UHFFFAOYSA-N 0 0 424.566 5.407 50 0 HKAARN COCCCNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682186 568968527 /nfs/dbraw/zinc/96/85/27/568968527.db2.gz CIHCZUBEJRSOSO-UHFFFAOYSA-N 0 0 410.539 5.017 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NC3CCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682190 568968536 /nfs/dbraw/zinc/96/85/36/568968536.db2.gz NDECBQKCQMIGPE-UHFFFAOYSA-N 0 0 420.578 6.313 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CSc1ccccc1 ZINC000015682208 568968471 /nfs/dbraw/zinc/96/84/71/568968471.db2.gz DUJMSIZTVYGFHW-UHFFFAOYSA-N 0 0 415.518 5.267 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1CSc1ccccc1 ZINC000015682209 568968574 /nfs/dbraw/zinc/96/85/74/568968574.db2.gz VZHWKDLVAXDDBW-UHFFFAOYSA-N 0 0 414.530 5.872 50 0 HKAARN CCOCCCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000015682242 519894221 /nfs/dbraw/zinc/89/42/21/519894221.db2.gz YLCMVUUSBHUXNN-UHFFFAOYSA-N 0 0 410.539 5.099 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCCOC(C)C)cc2)nc1CSc1ccccc1 ZINC000015682245 526728865 /nfs/dbraw/zinc/72/88/65/526728865.db2.gz SKKOHDJPAPMDPV-UHFFFAOYSA-N 0 0 424.566 5.487 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)nc1CSc1ccccc1 ZINC000015682246 568968464 /nfs/dbraw/zinc/96/84/64/568968464.db2.gz OTYGVRVCAHCCRK-UHFFFAOYSA-N 0 0 414.530 6.503 50 0 HKAARN O=C1NC(=S)SC1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000015685738 558749046 /nfs/dbraw/zinc/74/90/46/558749046.db2.gz BWGAYCGDFWQGLE-DHDCSXOGSA-N 0 0 406.326 5.357 50 0 HKAARN O=C(c1cccc(Br)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000015697266 558749255 /nfs/dbraw/zinc/74/92/55/558749255.db2.gz DPVNSMYJHKDOTI-CQSZACIVSA-N 0 0 401.329 5.079 50 0 HKAARN O=C(c1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000015697268 558749212 /nfs/dbraw/zinc/74/92/12/558749212.db2.gz DPVNSMYJHKDOTI-AWEZNQCLSA-N 0 0 401.329 5.079 50 0 HKAARN C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000015706233 558749442 /nfs/dbraw/zinc/74/94/42/558749442.db2.gz NEBIITIURRQNKR-CQSZACIVSA-N 0 0 412.898 5.070 50 0 HKAARN C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000015706236 558749439 /nfs/dbraw/zinc/74/94/39/558749439.db2.gz NEBIITIURRQNKR-AWEZNQCLSA-N 0 0 412.898 5.070 50 0 HKAARN CC(=O)N(c1nc(COc2ccc(F)cc2Cl)cs1)c1c(C)cc(C)cc1C ZINC000015709292 568975988 /nfs/dbraw/zinc/97/59/88/568975988.db2.gz QLEQGWVEDUWZRT-UHFFFAOYSA-N 0 0 418.921 6.124 50 0 HKAARN COc1ccccc1N(C(C)=O)c1nc(COc2ccc(F)cc2Cl)cs1 ZINC000015709294 568976054 /nfs/dbraw/zinc/97/60/54/568976054.db2.gz GTMOYBMPOZWIAW-UHFFFAOYSA-N 0 0 406.866 5.208 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SCc1ccsc1 ZINC000015720253 568976404 /nfs/dbraw/zinc/97/64/04/568976404.db2.gz GUKWJZBOJNGRPW-UHFFFAOYSA-N 0 0 406.532 6.256 50 0 HKAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)N2Cc3ccccc3C2=O)cc1 ZINC000015720932 568976497 /nfs/dbraw/zinc/97/64/97/568976497.db2.gz IFNCJZFHEXBOPY-XMMPIXPASA-N 0 0 414.505 5.038 50 0 HKAARN COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2C)N2Cc3ccccc3C2=O)cc1 ZINC000015720934 568976538 /nfs/dbraw/zinc/97/65/38/568976538.db2.gz IFNCJZFHEXBOPY-DEOSSOPVSA-N 0 0 414.505 5.038 50 0 HKAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(Cl)cc1 ZINC000015720960 568976606 /nfs/dbraw/zinc/97/66/06/568976606.db2.gz MDSZGOSGHGBSRH-OAQYLSRUSA-N 0 0 408.860 5.205 50 0 HKAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(Cl)cc1 ZINC000015720962 568976495 /nfs/dbraw/zinc/97/64/95/568976495.db2.gz MDSZGOSGHGBSRH-NRFANRHFSA-N 0 0 408.860 5.205 50 0 HKAARN Cc1cccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1C ZINC000015720989 568976483 /nfs/dbraw/zinc/97/64/83/568976483.db2.gz MADCWTQNWXOZFX-HSZRJFAPSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1cccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1C ZINC000015720991 568976597 /nfs/dbraw/zinc/97/65/97/568976597.db2.gz MADCWTQNWXOZFX-QHCPKHFHSA-N 0 0 402.469 5.168 50 0 HKAARN CCc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015720997 568976578 /nfs/dbraw/zinc/97/65/78/568976578.db2.gz VJRBTQBJPPJVJR-HSZRJFAPSA-N 0 0 402.469 5.114 50 0 HKAARN CCc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015720999 568976531 /nfs/dbraw/zinc/97/65/31/568976531.db2.gz VJRBTQBJPPJVJR-QHCPKHFHSA-N 0 0 402.469 5.114 50 0 HKAARN Cc1ccc(C)c(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721056 568976500 /nfs/dbraw/zinc/97/65/00/568976500.db2.gz YKZXMTFGUVWKFT-HSZRJFAPSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1ccc(C)c(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721058 568976551 /nfs/dbraw/zinc/97/65/51/568976551.db2.gz YKZXMTFGUVWKFT-QHCPKHFHSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000015721060 568976603 /nfs/dbraw/zinc/97/66/03/568976603.db2.gz PLRGEXWWTADRBJ-HSZRJFAPSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000015721062 568976584 /nfs/dbraw/zinc/97/65/84/568976584.db2.gz PLRGEXWWTADRBJ-QHCPKHFHSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1cc(C)cc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721083 568976587 /nfs/dbraw/zinc/97/65/87/568976587.db2.gz FNLXIGYLVBPBLC-HSZRJFAPSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1cc(C)cc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721085 568976528 /nfs/dbraw/zinc/97/65/28/568976528.db2.gz FNLXIGYLVBPBLC-QHCPKHFHSA-N 0 0 402.469 5.168 50 0 HKAARN Cc1ccc([C@@H](CC(=O)NCc2cccc(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000015721397 568976784 /nfs/dbraw/zinc/97/67/84/568976784.db2.gz QPTRUSDZXAWZDJ-HSZRJFAPSA-N 0 0 418.924 5.052 50 0 HKAARN Cc1ccc([C@H](CC(=O)NCc2cccc(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000015721401 568976769 /nfs/dbraw/zinc/97/67/69/568976769.db2.gz QPTRUSDZXAWZDJ-QHCPKHFHSA-N 0 0 418.924 5.052 50 0 HKAARN Cc1ccc([C@@H](CC(=O)NCc2ccccc2Cl)N2Cc3ccccc3C2=O)cc1 ZINC000015721433 568976766 /nfs/dbraw/zinc/97/67/66/568976766.db2.gz QJIMIWMPLDEGDC-HSZRJFAPSA-N 0 0 418.924 5.052 50 0 HKAARN Cc1ccc([C@H](CC(=O)NCc2ccccc2Cl)N2Cc3ccccc3C2=O)cc1 ZINC000015721436 568976707 /nfs/dbraw/zinc/97/67/07/568976707.db2.gz QJIMIWMPLDEGDC-QHCPKHFHSA-N 0 0 418.924 5.052 50 0 HKAARN Cc1ccc([C@@H](CC(=O)NCc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015721439 568976764 /nfs/dbraw/zinc/97/67/64/568976764.db2.gz VGGFWLWVSRQVCP-HSZRJFAPSA-N 0 0 418.924 5.052 50 0 HKAARN Cc1ccc([C@H](CC(=O)NCc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015721442 568976794 /nfs/dbraw/zinc/97/67/94/568976794.db2.gz VGGFWLWVSRQVCP-QHCPKHFHSA-N 0 0 418.924 5.052 50 0 HKAARN CCOc1ccccc1NC(=O)C[C@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000015721599 568977562 /nfs/dbraw/zinc/97/75/62/568977562.db2.gz HODFHVUXGSKTNP-HSZRJFAPSA-N 0 0 414.505 5.120 50 0 HKAARN CCOc1ccccc1NC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000015721602 568977579 /nfs/dbraw/zinc/97/75/79/568977579.db2.gz HODFHVUXGSKTNP-QHCPKHFHSA-N 0 0 414.505 5.120 50 0 HKAARN COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccc(C)cc2)cc1 ZINC000015722611 558749900 /nfs/dbraw/zinc/74/99/00/558749900.db2.gz JGHQZCNDZJQIQM-PXLXIMEGSA-N 0 0 420.896 5.067 50 0 HKAARN COc1ccc(/C=C(/NC(=O)c2cccc(Cl)c2)C(=O)Nc2cccc(C)c2)cc1 ZINC000015722613 558749863 /nfs/dbraw/zinc/74/98/63/558749863.db2.gz PHIKEBOHAWYMNL-HYARGMPZSA-N 0 0 420.896 5.067 50 0 HKAARN COc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000015722669 558749902 /nfs/dbraw/zinc/74/99/02/558749902.db2.gz FTOZMJLNQNIVNL-PXLXIMEGSA-N 0 0 420.896 5.067 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1Cl ZINC000015723561 558773694 /nfs/dbraw/zinc/77/36/94/558773694.db2.gz FMKKCMPBULDEDO-UHFFFAOYSA-N 0 0 424.909 5.973 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724521 558750119 /nfs/dbraw/zinc/75/01/19/558750119.db2.gz QVTZYNMYYCPAFV-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724524 558750086 /nfs/dbraw/zinc/75/00/86/558750086.db2.gz QVTZYNMYYCPAFV-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724526 558750141 /nfs/dbraw/zinc/75/01/41/558750141.db2.gz AJSLRTHEOXXYME-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724530 558750080 /nfs/dbraw/zinc/75/00/80/558750080.db2.gz AJSLRTHEOXXYME-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1 ZINC000015724533 558750155 /nfs/dbraw/zinc/75/01/55/558750155.db2.gz AXRZTOGLWKUQEL-VWLOTQADSA-N 0 0 413.496 6.049 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1 ZINC000015724536 558750149 /nfs/dbraw/zinc/75/01/49/558750149.db2.gz AXRZTOGLWKUQEL-RUZDIDTESA-N 0 0 413.496 6.049 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724539 558750116 /nfs/dbraw/zinc/75/01/16/558750116.db2.gz ITHYKWAWDVQPIB-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724542 558750090 /nfs/dbraw/zinc/75/00/90/558750090.db2.gz ITHYKWAWDVQPIB-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1C ZINC000015724544 558750138 /nfs/dbraw/zinc/75/01/38/558750138.db2.gz IYKCDYBUAQUBFT-VWLOTQADSA-N 0 0 413.496 6.103 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c1C ZINC000015724547 558750165 /nfs/dbraw/zinc/75/01/65/558750165.db2.gz IYKCDYBUAQUBFT-RUZDIDTESA-N 0 0 413.496 6.103 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1C ZINC000015724555 558750052 /nfs/dbraw/zinc/75/00/52/558750052.db2.gz LTGIETHBEPPVHB-VWLOTQADSA-N 0 0 413.496 6.103 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1C ZINC000015724558 558750152 /nfs/dbraw/zinc/75/01/52/558750152.db2.gz LTGIETHBEPPVHB-RUZDIDTESA-N 0 0 413.496 6.103 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000015724560 558750162 /nfs/dbraw/zinc/75/01/62/558750162.db2.gz PUPDHWHINJXTCH-VWLOTQADSA-N 0 0 413.496 6.103 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c1 ZINC000015724563 558750106 /nfs/dbraw/zinc/75/01/06/558750106.db2.gz PUPDHWHINJXTCH-RUZDIDTESA-N 0 0 413.496 6.103 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724606 558750096 /nfs/dbraw/zinc/75/00/96/558750096.db2.gz SLZBKBVWCZXMFA-VWLOTQADSA-N 0 0 413.496 6.049 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724609 558750127 /nfs/dbraw/zinc/75/01/27/558750127.db2.gz SLZBKBVWCZXMFA-RUZDIDTESA-N 0 0 413.496 6.049 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000015724612 558773732 /nfs/dbraw/zinc/77/37/32/558773732.db2.gz XFUROAXTHFHMSZ-NRFANRHFSA-N 0 0 415.295 6.497 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000015724615 558773710 /nfs/dbraw/zinc/77/37/10/558773710.db2.gz XFUROAXTHFHMSZ-OAQYLSRUSA-N 0 0 415.295 6.497 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c(C)c1 ZINC000015724618 558750135 /nfs/dbraw/zinc/75/01/35/558750135.db2.gz BEFWGQYNYZLYAW-VWLOTQADSA-N 0 0 413.496 6.103 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c(C)c1 ZINC000015724620 558750159 /nfs/dbraw/zinc/75/01/59/558750159.db2.gz BEFWGQYNYZLYAW-RUZDIDTESA-N 0 0 413.496 6.103 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000015724661 558750033 /nfs/dbraw/zinc/75/00/33/558750033.db2.gz QSCZIKPUEMVKCU-DEOSSOPVSA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000015724663 558750283 /nfs/dbraw/zinc/75/02/83/558750283.db2.gz QSCZIKPUEMVKCU-XMMPIXPASA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000015724665 558750375 /nfs/dbraw/zinc/75/03/75/558750375.db2.gz BYQOSLNMJAVYNA-DEOSSOPVSA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000015724666 558750347 /nfs/dbraw/zinc/75/03/47/558750347.db2.gz BYQOSLNMJAVYNA-XMMPIXPASA-N 0 0 415.924 6.309 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000015724668 558750370 /nfs/dbraw/zinc/75/03/70/558750370.db2.gz JVQAXKKYBOXRPU-SANMLTNESA-N 0 0 409.533 6.218 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000015724670 558750330 /nfs/dbraw/zinc/75/03/30/558750330.db2.gz JVQAXKKYBOXRPU-AREMUKBSSA-N 0 0 409.533 6.218 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015724672 558750378 /nfs/dbraw/zinc/75/03/78/558750378.db2.gz VMOAXEMDWHIYMP-DEOSSOPVSA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015724674 558750292 /nfs/dbraw/zinc/75/02/92/558750292.db2.gz VMOAXEMDWHIYMP-XMMPIXPASA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015724676 558750313 /nfs/dbraw/zinc/75/03/13/558750313.db2.gz IXCALNQKVRGPLS-SANMLTNESA-N 0 0 409.533 6.273 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015724678 558750342 /nfs/dbraw/zinc/75/03/42/558750342.db2.gz IXCALNQKVRGPLS-AREMUKBSSA-N 0 0 409.533 6.273 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015724684 558750386 /nfs/dbraw/zinc/75/03/86/558750386.db2.gz OQFNWLSHFOVEIT-SANMLTNESA-N 0 0 409.533 6.273 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000015724686 558750287 /nfs/dbraw/zinc/75/02/87/558750287.db2.gz OQFNWLSHFOVEIT-AREMUKBSSA-N 0 0 409.533 6.273 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000015724741 558750316 /nfs/dbraw/zinc/75/03/16/558750316.db2.gz YLLGAIFBDRUZRH-DEOSSOPVSA-N 0 0 417.459 5.934 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000015724743 558750339 /nfs/dbraw/zinc/75/03/39/558750339.db2.gz YLLGAIFBDRUZRH-XMMPIXPASA-N 0 0 417.459 5.934 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000015724773 558750297 /nfs/dbraw/zinc/75/02/97/558750297.db2.gz KUQHTAIYGQNVOO-DEOSSOPVSA-N 0 0 417.459 5.934 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000015724775 558750381 /nfs/dbraw/zinc/75/03/81/558750381.db2.gz KUQHTAIYGQNVOO-XMMPIXPASA-N 0 0 417.459 5.934 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724785 558750279 /nfs/dbraw/zinc/75/02/79/558750279.db2.gz DHUJMPINGIVDJQ-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724787 558750404 /nfs/dbraw/zinc/75/04/04/558750404.db2.gz DHUJMPINGIVDJQ-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724789 558750396 /nfs/dbraw/zinc/75/03/96/558750396.db2.gz GEQRZPNRHSZGLH-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724791 558750352 /nfs/dbraw/zinc/75/03/52/558750352.db2.gz GEQRZPNRHSZGLH-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000015724797 558750390 /nfs/dbraw/zinc/75/03/90/558750390.db2.gz LMAWJSDDYUGWTD-VWLOTQADSA-N 0 0 413.496 6.103 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000015724799 558750400 /nfs/dbraw/zinc/75/04/00/558750400.db2.gz LMAWJSDDYUGWTD-RUZDIDTESA-N 0 0 413.496 6.103 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015724833 558750302 /nfs/dbraw/zinc/75/03/02/558750302.db2.gz XMSDMZQTTLBKJN-VWLOTQADSA-N 0 0 413.496 6.049 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015724835 558750335 /nfs/dbraw/zinc/75/03/35/558750335.db2.gz XMSDMZQTTLBKJN-RUZDIDTESA-N 0 0 413.496 6.049 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1F ZINC000015724844 558750366 /nfs/dbraw/zinc/75/03/66/558750366.db2.gz XTDBDVSMKAFEFX-DEOSSOPVSA-N 0 0 417.459 5.934 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1F ZINC000015724846 558750356 /nfs/dbraw/zinc/75/03/56/558750356.db2.gz XTDBDVSMKAFEFX-XMMPIXPASA-N 0 0 417.459 5.934 50 0 HKAARN O=C(Nc1ccccc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725047 558750362 /nfs/dbraw/zinc/75/03/62/558750362.db2.gz BUYNLPKPBWKRKL-QHCPKHFHSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(Nc1ccccc1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725048 558750321 /nfs/dbraw/zinc/75/03/21/558750321.db2.gz BUYNLPKPBWKRKL-HSZRJFAPSA-N 0 0 419.887 6.140 50 0 HKAARN O=C(NCc1ccco1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015725180 558750593 /nfs/dbraw/zinc/75/05/93/558750593.db2.gz QXMZVTOZPIZLOP-QFIPXVFZSA-N 0 0 423.875 5.411 50 0 HKAARN O=C(NCc1ccco1)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725182 558750566 /nfs/dbraw/zinc/75/05/66/558750566.db2.gz QXMZVTOZPIZLOP-JOCHJYFZSA-N 0 0 423.875 5.411 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000015725200 558750569 /nfs/dbraw/zinc/75/05/69/558750569.db2.gz SZQOGPQNGYGDBW-DEOSSOPVSA-N 0 0 415.924 6.309 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000015725202 558750539 /nfs/dbraw/zinc/75/05/39/558750539.db2.gz SZQOGPQNGYGDBW-XMMPIXPASA-N 0 0 415.924 6.309 50 0 HKAARN CCCCN(CCCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21)c1ccccc1 ZINC000015727469 568978368 /nfs/dbraw/zinc/97/83/68/568978368.db2.gz NAIDIOVNFWNLJG-UHFFFAOYSA-N 0 0 424.545 5.125 50 0 HKAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N(Cc1cccs1)C1CCCC1 ZINC000015727605 568978702 /nfs/dbraw/zinc/97/87/02/568978702.db2.gz LGGLPCJVNIUOEM-UHFFFAOYSA-N 0 0 424.570 5.168 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)/C=C/c4ccccc4)cc3o2)cc1 ZINC000015729325 568979849 /nfs/dbraw/zinc/97/98/49/568979849.db2.gz MLJRDAJKMIZYHL-CXUHLZMHSA-N 0 0 423.512 6.409 50 0 biogenic HKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)c1 ZINC000015729361 568979654 /nfs/dbraw/zinc/97/96/54/568979654.db2.gz FMMBMNMYUHNQJP-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)cc1 ZINC000015729362 568979634 /nfs/dbraw/zinc/97/96/34/568979634.db2.gz DDQHPDJYYJYJNJ-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)c1 ZINC000015729363 568979606 /nfs/dbraw/zinc/97/96/06/568979606.db2.gz KRKMANKHPYXPST-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)cc1 ZINC000015729364 568979647 /nfs/dbraw/zinc/97/96/47/568979647.db2.gz UXVNHOHTGYPZQF-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729365 568979637 /nfs/dbraw/zinc/97/96/37/568979637.db2.gz WUTSLGBDBKAAPZ-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccccc3Cl)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729366 568979650 /nfs/dbraw/zinc/97/96/50/568979650.db2.gz RAQKANZCYLUDDN-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)cc1 ZINC000015729367 568979638 /nfs/dbraw/zinc/97/96/38/568979638.db2.gz FMJDLSHKOJPADO-OVCLIPMQSA-N 0 0 411.457 5.633 50 0 HKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)c1 ZINC000015729368 568979660 /nfs/dbraw/zinc/97/96/60/568979660.db2.gz DOYZAKVPRGVWLV-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)cc1OC ZINC000015729369 568979646 /nfs/dbraw/zinc/97/96/46/568979646.db2.gz GJJVVNNAIXAGPC-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)cc1 ZINC000015729370 568979604 /nfs/dbraw/zinc/97/96/04/568979604.db2.gz GJNHZDKYKFCDBE-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)cc4)oc3c2)cc1 ZINC000015729371 568979659 /nfs/dbraw/zinc/97/96/59/568979659.db2.gz BAVYHUYUQDCQPV-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)c1 ZINC000015729372 568979561 /nfs/dbraw/zinc/97/95/61/568979561.db2.gz QMTXZIYBCWOBKA-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)cc1 ZINC000015729373 568979787 /nfs/dbraw/zinc/97/97/87/568979787.db2.gz NWWFPUQGQGQBRC-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)c1 ZINC000015729374 568979822 /nfs/dbraw/zinc/97/98/22/568979822.db2.gz IUCQXVCTPGXMAR-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccc(OC)c4)ccc3c2C)cc1 ZINC000015729375 568979810 /nfs/dbraw/zinc/97/98/10/568979810.db2.gz ZZXZVDTUVNCNNX-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1 ZINC000015729378 568979826 /nfs/dbraw/zinc/97/98/26/568979826.db2.gz JIGYSNSZIVNIKS-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2c1 ZINC000015729379 568979762 /nfs/dbraw/zinc/97/97/62/568979762.db2.gz WXYWSJRNIQIROM-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)cc1 ZINC000015729380 568979825 /nfs/dbraw/zinc/97/98/25/568979825.db2.gz MGRLSJOUHARLFL-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)c1 ZINC000015729381 568979813 /nfs/dbraw/zinc/97/98/13/568979813.db2.gz NVUYNGXVFRIUSZ-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)cc1 ZINC000015729382 568979807 /nfs/dbraw/zinc/97/98/07/568979807.db2.gz XPJPYIPGJYDRBV-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4cccs4)ccc3c2C)c1 ZINC000015729383 568979794 /nfs/dbraw/zinc/97/97/94/568979794.db2.gz WTJLGEMNELSKSY-UHFFFAOYSA-N 0 0 421.474 5.303 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccs4)ccc3c2C)cc1OC ZINC000015729384 568979806 /nfs/dbraw/zinc/97/98/06/568979806.db2.gz ANBBRIPTQVFAJC-UHFFFAOYSA-N 0 0 421.474 5.303 50 0 HKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)C4CCCCC4)ccc3c2C)cc1OC ZINC000015729385 568979748 /nfs/dbraw/zinc/97/97/48/568979748.db2.gz JNZDVZHAVGCELB-UHFFFAOYSA-N 0 0 421.493 5.508 50 0 HKAARN Cc1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000015729386 568979798 /nfs/dbraw/zinc/97/97/98/568979798.db2.gz ZFWPNONFAHPCAY-UHFFFAOYSA-N 0 0 424.283 6.531 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000015729432 568979789 /nfs/dbraw/zinc/97/97/89/568979789.db2.gz RXWYGYNHTDEQPR-XNTDXEJSSA-N 0 0 401.849 5.969 50 0 HKAARN COc1cccc2c(NC(=O)C3CCCCC3)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000015729434 568979832 /nfs/dbraw/zinc/97/98/32/568979832.db2.gz LGRQIMRIGRVYKY-UHFFFAOYSA-N 0 0 411.885 5.845 50 0 HKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)c1 ZINC000015729475 568980086 /nfs/dbraw/zinc/98/00/86/568980086.db2.gz ZLMHZBDWSMHQLF-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)cc1 ZINC000015729476 568980080 /nfs/dbraw/zinc/98/00/80/568980080.db2.gz OGKVPXIJXHZHHG-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)c1 ZINC000015729477 568980099 /nfs/dbraw/zinc/98/00/99/568980099.db2.gz HDTBHRBUDQFNQV-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)cc1 ZINC000015729478 568980083 /nfs/dbraw/zinc/98/00/83/568980083.db2.gz SCQPQXMSWGFOMT-UHFFFAOYSA-N 0 0 403.409 5.372 50 0 HKAARN Cc1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729479 568980107 /nfs/dbraw/zinc/98/01/07/568980107.db2.gz YRQSLGZFTBXMJI-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN Cc1c2cc(NC(=O)c3ccccc3Cl)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729480 568980046 /nfs/dbraw/zinc/98/00/46/568980046.db2.gz LQIWJECLUISDQX-UHFFFAOYSA-N 0 0 403.865 6.186 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)cc1 ZINC000015729482 568980134 /nfs/dbraw/zinc/98/01/34/568980134.db2.gz RNDYJOBHHYKVEK-OVCLIPMQSA-N 0 0 411.457 5.633 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)cc1OC ZINC000015729483 568980065 /nfs/dbraw/zinc/98/00/65/568980065.db2.gz LJMJIFJLTRMAAF-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)c1 ZINC000015729484 568980150 /nfs/dbraw/zinc/98/01/50/568980150.db2.gz REDBLQQGEFGAFD-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)cc1 ZINC000015729485 568980090 /nfs/dbraw/zinc/98/00/90/568980090.db2.gz GTAGUFJLHWXPJG-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2)cc1 ZINC000015729486 568980077 /nfs/dbraw/zinc/98/00/77/568980077.db2.gz PZWCQLRGGZRZMN-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)c1 ZINC000015729487 568980138 /nfs/dbraw/zinc/98/01/38/568980138.db2.gz DBAZRBYIEHJWHE-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)cc1 ZINC000015729488 568980071 /nfs/dbraw/zinc/98/00/71/568980071.db2.gz KUGRIUDPWAUPDJ-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)c1 ZINC000015729489 568980118 /nfs/dbraw/zinc/98/01/18/568980118.db2.gz BIYGMDPOFZVCAE-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccc(OC)c4)cc3c2C)cc1 ZINC000015729490 568980056 /nfs/dbraw/zinc/98/00/56/568980056.db2.gz JYMHQERFAXYTTR-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN Cc1c2cc(NC(=O)/C=C/c3ccccc3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000015729491 568980068 /nfs/dbraw/zinc/98/00/68/568980068.db2.gz BMXBUSQXZKHPJV-VGOFMYFVSA-N 0 0 415.876 6.278 50 0 HKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)c1 ZINC000015729494 568980159 /nfs/dbraw/zinc/98/01/59/568980159.db2.gz CEMIPVQUUJRXNB-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)cc1 ZINC000015729495 568980265 /nfs/dbraw/zinc/98/02/65/568980265.db2.gz LZQXYHGOQXSDTG-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)c1 ZINC000015729496 568980194 /nfs/dbraw/zinc/98/01/94/568980194.db2.gz WIERRYDDNBVELU-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)cc1 ZINC000015729497 568980269 /nfs/dbraw/zinc/98/02/69/568980269.db2.gz UYEHUPCYUWXTOC-UHFFFAOYSA-N 0 0 419.864 5.887 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccs4)cc3c2C)cc1OC ZINC000015729498 568980283 /nfs/dbraw/zinc/98/02/83/568980283.db2.gz KVJWRDNFNMYUPE-UHFFFAOYSA-N 0 0 421.474 5.303 50 0 HKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4cccs4)cc3c2C)c1 ZINC000015729499 568980204 /nfs/dbraw/zinc/98/02/04/568980204.db2.gz XPOCHQDEQFRPOR-UHFFFAOYSA-N 0 0 421.474 5.303 50 0 HKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)cc1OC ZINC000015729500 568980216 /nfs/dbraw/zinc/98/02/16/568980216.db2.gz JDBGNWVLMDDMQX-UHFFFAOYSA-N 0 0 421.493 5.508 50 0 HKAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)c1 ZINC000015729501 568980306 /nfs/dbraw/zinc/98/03/06/568980306.db2.gz BBBOVXCNWMEECB-UHFFFAOYSA-N 0 0 421.493 5.508 50 0 HKAARN Cc1cc(C)c(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c(C)c1 ZINC000015729629 568980303 /nfs/dbraw/zinc/98/03/03/568980303.db2.gz NANRHWZMKNHEQF-UHFFFAOYSA-N 0 0 402.498 5.379 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000015729864 568980426 /nfs/dbraw/zinc/98/04/26/568980426.db2.gz BKQFXWGSGWBYOC-UHFFFAOYSA-N 0 0 420.856 5.613 50 0 HKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000015729911 568980435 /nfs/dbraw/zinc/98/04/35/568980435.db2.gz NPXZROQIAHEQBC-UHFFFAOYSA-N 0 0 413.481 5.734 50 0 HKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Br)cc2s1 ZINC000015729938 568980460 /nfs/dbraw/zinc/98/04/60/568980460.db2.gz KGISBMORQTVJPA-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3cccc(Br)c3)cc2s1 ZINC000015729940 568980411 /nfs/dbraw/zinc/98/04/11/568980411.db2.gz NFLVJMJEMDTGOO-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1OCC ZINC000015730163 568980988 /nfs/dbraw/zinc/98/09/88/568980988.db2.gz MCHVCDPXWCQXSO-UHFFFAOYSA-N 0 0 400.478 5.885 50 0 HKAARN O=C(CSCc1ccc(F)cc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000015730185 568980990 /nfs/dbraw/zinc/98/09/90/568980990.db2.gz FGFRNJYMZKPQSR-UHFFFAOYSA-N 0 0 424.928 6.499 50 0 HKAARN CC(C)c1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015732099 568982133 /nfs/dbraw/zinc/98/21/33/568982133.db2.gz FDWNUVNQDKDGTJ-UHFFFAOYSA-N 0 0 413.477 5.545 50 0 HKAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3CC)cc1OCC ZINC000015732217 568982174 /nfs/dbraw/zinc/98/21/74/568982174.db2.gz KZQCJYJGMBCHOB-UHFFFAOYSA-N 0 0 408.542 5.048 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1cccc(C)c1 ZINC000015733092 568982946 /nfs/dbraw/zinc/98/29/46/568982946.db2.gz RZSXPHRAQZZVLN-UHFFFAOYSA-N 0 0 424.426 5.593 50 0 HKAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1ccccc1Cl ZINC000015733336 568982951 /nfs/dbraw/zinc/98/29/51/568982951.db2.gz NBGGZUWJGKWGOA-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000015733337 568982969 /nfs/dbraw/zinc/98/29/69/568982969.db2.gz AJCSDMVHUJZXNG-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000015733338 568983040 /nfs/dbraw/zinc/98/30/40/568983040.db2.gz BFGZZCDOAOZMMN-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733340 568982990 /nfs/dbraw/zinc/98/29/90/568982990.db2.gz KFQYJJGQLQGJTI-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733341 568982981 /nfs/dbraw/zinc/98/29/81/568982981.db2.gz WEXGOUWJWIAZFF-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733362 568982973 /nfs/dbraw/zinc/98/29/73/568982973.db2.gz GOACOFCCUCFVJI-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000015733368 568982971 /nfs/dbraw/zinc/98/29/71/568982971.db2.gz YXCIYRFCSBFHCC-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cc(C)c(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c(C)c1 ZINC000015733372 568983169 /nfs/dbraw/zinc/98/31/69/568983169.db2.gz XDMDROZHQAKXLF-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN CSc1cccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733376 568983120 /nfs/dbraw/zinc/98/31/20/568983120.db2.gz LMKJPDKXXZAPAL-UHFFFAOYSA-N 0 0 417.490 5.143 50 0 HKAARN CCc1cccc(C)c1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733378 568983174 /nfs/dbraw/zinc/98/31/74/568983174.db2.gz UCQLEMRMUOAMTE-UHFFFAOYSA-N 0 0 413.477 5.292 50 0 HKAARN Cc1oc(-c2ccccc2C)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733437 568983134 /nfs/dbraw/zinc/98/31/34/568983134.db2.gz ZYRUXUCIPPYZRJ-UHFFFAOYSA-N 0 0 423.472 6.254 50 0 HKAARN Cc1oc(-c2ccccc2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733438 568983146 /nfs/dbraw/zinc/98/31/46/568983146.db2.gz ZKOGAEYDENDZKR-UHFFFAOYSA-N 0 0 409.445 5.946 50 0 HKAARN Cc1oc(-c2cccc(C)c2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733439 568983125 /nfs/dbraw/zinc/98/31/25/568983125.db2.gz OGFDJYMSFCCVST-UHFFFAOYSA-N 0 0 423.472 6.254 50 0 HKAARN CCN(C(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)c1cccc(C)c1 ZINC000015733449 568983172 /nfs/dbraw/zinc/98/31/72/568983172.db2.gz BNHYOGBBFCLROZ-UHFFFAOYSA-N 0 0 413.477 5.144 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733457 568983155 /nfs/dbraw/zinc/98/31/55/568983155.db2.gz FRYOEQZQJHSAQC-UHFFFAOYSA-N 0 0 423.472 6.254 50 0 HKAARN Cc1oc(-c2cccs2)nc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733458 568983150 /nfs/dbraw/zinc/98/31/50/568983150.db2.gz QAODKSDVTMNCPO-UHFFFAOYSA-N 0 0 415.474 6.008 50 0 HKAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1F ZINC000015733463 568983179 /nfs/dbraw/zinc/98/31/79/568983179.db2.gz SJSURZIYQROZPY-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1F ZINC000015733466 568983110 /nfs/dbraw/zinc/98/31/10/568983110.db2.gz GPYHUTXUKXKLOO-HXUWFJFHSA-N 0 0 417.440 5.339 50 0 HKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1F ZINC000015733467 568983153 /nfs/dbraw/zinc/98/31/53/568983153.db2.gz GPYHUTXUKXKLOO-FQEVSTJZSA-N 0 0 417.440 5.339 50 0 HKAARN Brc1cccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733478 568983183 /nfs/dbraw/zinc/98/31/83/568983183.db2.gz CYNQIZKXYJPCQL-UHFFFAOYSA-N 0 0 407.267 5.745 50 0 HKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1C ZINC000015733487 568983144 /nfs/dbraw/zinc/98/31/44/568983144.db2.gz YXMBQXLNZURXFC-OAQYLSRUSA-N 0 0 413.477 5.508 50 0 HKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1C ZINC000015733488 568983118 /nfs/dbraw/zinc/98/31/18/568983118.db2.gz YXMBQXLNZURXFC-NRFANRHFSA-N 0 0 413.477 5.508 50 0 HKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000015733491 568983131 /nfs/dbraw/zinc/98/31/31/568983131.db2.gz WZDUTQLZCSMNJF-HXUWFJFHSA-N 0 0 417.440 5.339 50 0 HKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000015733492 568983138 /nfs/dbraw/zinc/98/31/38/568983138.db2.gz WZDUTQLZCSMNJF-FQEVSTJZSA-N 0 0 417.440 5.339 50 0 HKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C)cc1 ZINC000015733507 568983093 /nfs/dbraw/zinc/98/30/93/568983093.db2.gz IPNYAOHBEURGKE-OAQYLSRUSA-N 0 0 413.477 5.508 50 0 HKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(C)cc1 ZINC000015733508 568983106 /nfs/dbraw/zinc/98/31/06/568983106.db2.gz IPNYAOHBEURGKE-NRFANRHFSA-N 0 0 413.477 5.508 50 0 HKAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)c1C ZINC000015733528 568983159 /nfs/dbraw/zinc/98/31/59/568983159.db2.gz NEUDJXXQOFWGTH-GOSISDBHSA-N 0 0 413.477 5.426 50 0 HKAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)c1C ZINC000015733529 568983114 /nfs/dbraw/zinc/98/31/14/568983114.db2.gz NEUDJXXQOFWGTH-SFHVURJKSA-N 0 0 413.477 5.426 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733532 568983116 /nfs/dbraw/zinc/98/31/16/568983116.db2.gz UZLLITNHHZRMPC-GOSISDBHSA-N 0 0 413.477 5.426 50 0 HKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733533 568983178 /nfs/dbraw/zinc/98/31/78/568983178.db2.gz UZLLITNHHZRMPC-SFHVURJKSA-N 0 0 413.477 5.426 50 0 HKAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(C)c1 ZINC000015733538 568983103 /nfs/dbraw/zinc/98/31/03/568983103.db2.gz GESLOJQFXFCVPP-OAQYLSRUSA-N 0 0 413.477 5.508 50 0 HKAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(C)c1 ZINC000015733539 568983136 /nfs/dbraw/zinc/98/31/36/568983136.db2.gz GESLOJQFXFCVPP-NRFANRHFSA-N 0 0 413.477 5.508 50 0 HKAARN COc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000015733623 568983163 /nfs/dbraw/zinc/98/31/63/568983163.db2.gz GGZUDEJYKBOSLX-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000015733624 568983140 /nfs/dbraw/zinc/98/31/40/568983140.db2.gz GGZUDEJYKBOSLX-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN Fc1ccc([C@@H](Nc2ccccc2Br)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733629 568983142 /nfs/dbraw/zinc/98/31/42/568983142.db2.gz UPKMQQAJLRTTFY-LJQANCHMSA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccc([C@H](Nc2ccccc2Br)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733630 568983259 /nfs/dbraw/zinc/98/32/59/568983259.db2.gz UPKMQQAJLRTTFY-IBGZPJMESA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733639 568983256 /nfs/dbraw/zinc/98/32/56/568983256.db2.gz YOQUNSJLPXVLLP-LJQANCHMSA-N 0 0 413.374 6.096 50 0 HKAARN Fc1ccc([C@H](Nc2cccc(C(F)(F)F)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733640 568983325 /nfs/dbraw/zinc/98/33/25/568983325.db2.gz YOQUNSJLPXVLLP-IBGZPJMESA-N 0 0 413.374 6.096 50 0 HKAARN CCOc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000015733649 568983338 /nfs/dbraw/zinc/98/33/38/568983338.db2.gz MBSNCBVQNQSVSN-OAQYLSRUSA-N 0 0 423.875 6.129 50 0 HKAARN CCOc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000015733650 568983304 /nfs/dbraw/zinc/98/33/04/568983304.db2.gz MBSNCBVQNQSVSN-NRFANRHFSA-N 0 0 423.875 6.129 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734779 568983973 /nfs/dbraw/zinc/98/39/73/568983973.db2.gz JAZFPRGQOKDJHC-UHFFFAOYSA-N 0 0 412.946 5.022 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1Cl ZINC000015734781 568984036 /nfs/dbraw/zinc/98/40/36/568984036.db2.gz PZVYDEVKHLRGNH-UHFFFAOYSA-N 0 0 412.946 5.022 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c(Cl)c1 ZINC000015734792 568983980 /nfs/dbraw/zinc/98/39/80/568983980.db2.gz FNKKOAUVIMBBMS-UHFFFAOYSA-N 0 0 412.946 5.022 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 ZINC000015734805 568983997 /nfs/dbraw/zinc/98/39/97/568983997.db2.gz BWYNDEQLESMUSG-UHFFFAOYSA-N 0 0 406.555 5.184 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000015735343 568984217 /nfs/dbraw/zinc/98/42/17/568984217.db2.gz NYSPZROWRSORED-QFIPXVFZSA-N 0 0 405.567 5.442 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000015735345 568984201 /nfs/dbraw/zinc/98/42/01/568984201.db2.gz NYSPZROWRSORED-JOCHJYFZSA-N 0 0 405.567 5.442 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C)cc1)CCCC3 ZINC000015735366 568984177 /nfs/dbraw/zinc/98/41/77/568984177.db2.gz OGKIGCAMCPBYLI-QHCPKHFHSA-N 0 0 419.594 5.751 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C)cc1)CCCC3 ZINC000015735368 568984208 /nfs/dbraw/zinc/98/42/08/568984208.db2.gz OGKIGCAMCPBYLI-HSZRJFAPSA-N 0 0 419.594 5.751 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(F)c1)CCCC3 ZINC000015735484 568984753 /nfs/dbraw/zinc/98/47/53/568984753.db2.gz MCPLWOYEBXHJTR-QFIPXVFZSA-N 0 0 423.557 5.581 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(F)c1)CCCC3 ZINC000015735486 568984783 /nfs/dbraw/zinc/98/47/83/568984783.db2.gz MCPLWOYEBXHJTR-JOCHJYFZSA-N 0 0 423.557 5.581 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(F)c1)CCCC3 ZINC000015735487 568984703 /nfs/dbraw/zinc/98/47/03/568984703.db2.gz AOAWAXWZFVQDGM-QFIPXVFZSA-N 0 0 423.557 5.580 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(F)c1)CCCC3 ZINC000015735489 568984664 /nfs/dbraw/zinc/98/46/64/568984664.db2.gz AOAWAXWZFVQDGM-JOCHJYFZSA-N 0 0 423.557 5.580 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1)CCCC3 ZINC000015735597 568984706 /nfs/dbraw/zinc/98/47/06/568984706.db2.gz BKNFIWHPJNCZRQ-QFIPXVFZSA-N 0 0 405.567 6.162 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1)CCCC3 ZINC000015735599 568984759 /nfs/dbraw/zinc/98/47/59/568984759.db2.gz BKNFIWHPJNCZRQ-JOCHJYFZSA-N 0 0 405.567 6.162 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000015735617 568984423 /nfs/dbraw/zinc/98/44/23/568984423.db2.gz GJQAZGUXXIEBJZ-QHCPKHFHSA-N 0 0 419.594 6.471 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000015735619 568984420 /nfs/dbraw/zinc/98/44/20/568984420.db2.gz GJQAZGUXXIEBJZ-HSZRJFAPSA-N 0 0 419.594 6.471 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000015735629 568984405 /nfs/dbraw/zinc/98/44/05/568984405.db2.gz UGLGSFMLQFVLLJ-QFIPXVFZSA-N 0 0 423.557 6.302 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000015735631 568984382 /nfs/dbraw/zinc/98/43/82/568984382.db2.gz UGLGSFMLQFVLLJ-JOCHJYFZSA-N 0 0 423.557 6.302 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1F)CCCC3 ZINC000015735639 568984410 /nfs/dbraw/zinc/98/44/10/568984410.db2.gz QZHPMYDPESSABS-QFIPXVFZSA-N 0 0 423.557 6.302 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1F)CCCC3 ZINC000015735640 568984396 /nfs/dbraw/zinc/98/43/96/568984396.db2.gz QZHPMYDPESSABS-JOCHJYFZSA-N 0 0 423.557 6.302 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1F)CCCC3 ZINC000015735667 568984397 /nfs/dbraw/zinc/98/43/97/568984397.db2.gz YKEAAHYQTGFVAD-IBGZPJMESA-N 0 0 409.530 6.056 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1F)CCCC3 ZINC000015735669 568984407 /nfs/dbraw/zinc/98/44/07/568984407.db2.gz YKEAAHYQTGFVAD-LJQANCHMSA-N 0 0 409.530 6.056 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000015746119 558751375 /nfs/dbraw/zinc/75/13/75/558751375.db2.gz KVMZVHVPGIQHGZ-KGENOOAVSA-N 0 0 416.864 5.496 50 0 HKAARN CCOc1ccc(/N=c2\scc(-c3ccc(OC)c(Br)c3)n2C)cc1 ZINC000015746298 558751449 /nfs/dbraw/zinc/75/14/49/558751449.db2.gz DWHPVCMIIYQLOK-VZCXRCSSSA-N 0 0 419.344 5.156 50 0 HKAARN COc1ccccc1/N=c1\scc(-c2ccc(Br)cc2)n1CC(C)C ZINC000015746458 558751651 /nfs/dbraw/zinc/75/16/51/558751651.db2.gz GFODCXXAPSQCIA-XDOYNYLZSA-N 0 0 417.372 5.876 50 0 HKAARN O=C(Nc1ccc2ccccc2c1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000015746751 558751569 /nfs/dbraw/zinc/75/15/69/558751569.db2.gz BPIVKFDVWCCJHI-RONKKBLUSA-N 0 0 418.496 5.806 50 0 HKAARN Cc1ccccc1[C@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000015762061 558751911 /nfs/dbraw/zinc/75/19/11/558751911.db2.gz JPWRQPVERZCCDK-PHZLKFDYSA-N 0 0 406.570 5.164 50 0 HKAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000015762062 558751874 /nfs/dbraw/zinc/75/18/74/558751874.db2.gz JPWRQPVERZCCDK-JTVPBKEVSA-N 0 0 406.570 5.164 50 0 HKAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000015762063 558751851 /nfs/dbraw/zinc/75/18/51/558751851.db2.gz JPWRQPVERZCCDK-FDRBHKFBSA-N 0 0 406.570 5.164 50 0 HKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(OCc2cscn2)cc1 ZINC000015763575 558751889 /nfs/dbraw/zinc/75/18/89/558751889.db2.gz REUUXKWSMHMDOF-UHFFFAOYSA-N 0 0 407.322 5.301 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1Cc1ccccc1 ZINC000015767528 558752094 /nfs/dbraw/zinc/75/20/94/558752094.db2.gz IHRNZBRHXCAOOP-BUHFOSPRSA-N 0 0 417.306 5.378 50 0 HKAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000015768120 558752105 /nfs/dbraw/zinc/75/21/05/558752105.db2.gz UDNKOPMONZYURE-UHFFFAOYSA-N 0 0 424.831 5.746 50 0 HKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000015769666 568997261 /nfs/dbraw/zinc/99/72/61/568997261.db2.gz PUEBLWLTSKHFPW-UHFFFAOYSA-N 0 0 405.586 5.230 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCSc3ncccc32)s1 ZINC000015769761 568997285 /nfs/dbraw/zinc/99/72/85/568997285.db2.gz DEVVEPOLBRGBJU-UHFFFAOYSA-N 0 0 417.943 5.301 50 0 HKAARN O=C(c1ccccc1)[C@H](C[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000015770168 568997577 /nfs/dbraw/zinc/99/75/77/568997577.db2.gz KPOYPXGVRAXXPN-MKPDMIMOSA-N 0 0 404.509 6.710 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000015770896 568998004 /nfs/dbraw/zinc/99/80/04/568998004.db2.gz CAENVDUTZJRYGQ-UHFFFAOYSA-N 0 0 424.891 5.969 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1Cl ZINC000015770902 568997872 /nfs/dbraw/zinc/99/78/72/568997872.db2.gz QPUBZIQWHOPNOP-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000015770904 558752382 /nfs/dbraw/zinc/75/23/82/558752382.db2.gz YKBGNRWPONULKX-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c(Cl)c1 ZINC000015770906 558752313 /nfs/dbraw/zinc/75/23/13/558752313.db2.gz KPUIVZKQYQFTRV-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3Cl)C(=O)C2)cc1 ZINC000015770912 568997865 /nfs/dbraw/zinc/99/78/65/568997865.db2.gz BIUWCDFWTFPXOI-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000015770914 568998001 /nfs/dbraw/zinc/99/80/01/568998001.db2.gz RKMJYZBXYFYLBN-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000015770950 568997910 /nfs/dbraw/zinc/99/79/10/568997910.db2.gz QMIGYAMPUURCSM-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000015770952 568997984 /nfs/dbraw/zinc/99/79/84/568997984.db2.gz SLUGNXUIBNNAHS-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000015770954 568997923 /nfs/dbraw/zinc/99/79/23/568997923.db2.gz ZEKSUXUWXJZECJ-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000015773951 558752409 /nfs/dbraw/zinc/75/24/09/558752409.db2.gz YQGQOCMLPPPOCE-BWAHOGKJSA-N 0 0 422.484 5.258 50 0 HKAARN CCOc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000015774784 568999145 /nfs/dbraw/zinc/99/91/45/568999145.db2.gz KPNDBEAUWNDYFM-UHFFFAOYSA-N 0 0 414.509 5.232 50 0 HKAARN COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000015775559 558752545 /nfs/dbraw/zinc/75/25/45/558752545.db2.gz HYRXHGMMRWKSCO-MOHJPFBDSA-N 0 0 422.484 5.258 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])cc1 ZINC000015776888 568999500 /nfs/dbraw/zinc/99/95/00/568999500.db2.gz GCDXKGQJBPIUDP-UHFFFAOYSA-N 0 0 412.530 5.002 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776910 568999520 /nfs/dbraw/zinc/99/95/20/568999520.db2.gz XDMTZEIAUWDKJW-UHFFFAOYSA-N 0 0 424.516 5.068 50 0 HKAARN CCCSCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000015776967 568999509 /nfs/dbraw/zinc/99/95/09/568999509.db2.gz VNJQMHBIMZETFG-UHFFFAOYSA-N 0 0 408.995 5.128 50 0 HKAARN CCCSCCC[NH2+]Cc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000015776991 568999563 /nfs/dbraw/zinc/99/95/63/568999563.db2.gz WPVRAKJGSMECGP-UHFFFAOYSA-N 0 0 408.995 5.128 50 0 HKAARN COc1cccc(Cn2c(C)c(C[NH2+][C@@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)c1 ZINC000015777072 568999463 /nfs/dbraw/zinc/99/94/63/568999463.db2.gz CWTPDOPPMLOBMB-XMMPIXPASA-N 0 0 418.537 5.027 50 0 HKAARN COc1cccc(Cn2c(C)c(C[NH2+][C@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)c1 ZINC000015777074 568999557 /nfs/dbraw/zinc/99/95/57/568999557.db2.gz CWTPDOPPMLOBMB-DEOSSOPVSA-N 0 0 418.537 5.027 50 0 HKAARN COc1ccc(Cn2c(C)c(C[NH2+][C@@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)cc1 ZINC000015777154 568999600 /nfs/dbraw/zinc/99/96/00/568999600.db2.gz LQFHPAUUWDJIMD-XMMPIXPASA-N 0 0 418.537 5.027 50 0 HKAARN COc1ccc(Cn2c(C)c(C[NH2+][C@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)cc1 ZINC000015777156 568999588 /nfs/dbraw/zinc/99/95/88/568999588.db2.gz LQFHPAUUWDJIMD-DEOSSOPVSA-N 0 0 418.537 5.027 50 0 HKAARN Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778698 558752848 /nfs/dbraw/zinc/75/28/48/558752848.db2.gz OVUUOUBIUAEVOG-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778700 558752802 /nfs/dbraw/zinc/75/28/02/558752802.db2.gz OVUUOUBIUAEVOG-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN O=C(Nc1ccc(F)cc1)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778725 558752844 /nfs/dbraw/zinc/75/28/44/558752844.db2.gz TVJCIFMFXARVGY-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccc(F)cc1)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778727 558752759 /nfs/dbraw/zinc/75/27/59/558752759.db2.gz TVJCIFMFXARVGY-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccccc1)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778744 558752826 /nfs/dbraw/zinc/75/28/26/558752826.db2.gz UCOOWOMBWXQQQX-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1ccccc1)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778746 558752821 /nfs/dbraw/zinc/75/28/21/558752821.db2.gz UCOOWOMBWXQQQX-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778748 558752794 /nfs/dbraw/zinc/75/27/94/558752794.db2.gz WYZBNIQBHLQAIQ-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778750 558752809 /nfs/dbraw/zinc/75/28/09/558752809.db2.gz WYZBNIQBHLQAIQ-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1cccc(NC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778752 558752861 /nfs/dbraw/zinc/75/28/61/558752861.db2.gz HSPSRWARBXWUPJ-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778753 558752784 /nfs/dbraw/zinc/75/27/84/558752784.db2.gz HSPSRWARBXWUPJ-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000015783775 569003376 /nfs/dbraw/zinc/00/33/76/569003376.db2.gz BGQWTFCZOTXIFH-UHFFFAOYSA-N 0 0 412.986 6.042 50 0 HKAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccccc1C(F)(F)F ZINC000015783779 569003321 /nfs/dbraw/zinc/00/33/21/569003321.db2.gz BHOIISHHQVSMLO-UHFFFAOYSA-N 0 0 408.420 5.249 50 0 HKAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000015783781 569003308 /nfs/dbraw/zinc/00/33/08/569003308.db2.gz ANHAMNHYXNPMRO-UHFFFAOYSA-N 0 0 408.420 5.249 50 0 HKAARN COc1cccc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)c1 ZINC000015784143 569003459 /nfs/dbraw/zinc/00/34/59/569003459.db2.gz UAWWPHNNDRLCSE-UHFFFAOYSA-N 0 0 404.857 5.288 50 0 HKAARN CN(C(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1)c1ccccc1F ZINC000015784149 569003454 /nfs/dbraw/zinc/00/34/54/569003454.db2.gz BIODNRNKFVRAMJ-UHFFFAOYSA-N 0 0 406.848 5.443 50 0 HKAARN CCOc1ccc(CNC(=O)c2nc3ccccc3c(Nc3cccc(C)c3)n2)cc1 ZINC000015784189 569003480 /nfs/dbraw/zinc/00/34/80/569003480.db2.gz NHWVQDRHBGAGOQ-UHFFFAOYSA-N 0 0 412.493 5.011 50 0 HKAARN CCOC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000015784869 569005312 /nfs/dbraw/zinc/00/53/12/569005312.db2.gz ACZPLVPDBYCDRI-UHFFFAOYSA-N 0 0 407.466 5.314 50 0 HKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccc(OC)cc1)C(=O)c1ccccc1S2 ZINC000015784871 569005317 /nfs/dbraw/zinc/00/53/17/569005317.db2.gz UGBSAQQDCWOFBZ-UHFFFAOYSA-N 0 0 419.502 5.184 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785075 569005401 /nfs/dbraw/zinc/00/54/01/569005401.db2.gz JLYXTIFKZRUDRA-UHFFFAOYSA-N 0 0 410.832 5.857 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1 ZINC000015785101 569005387 /nfs/dbraw/zinc/00/53/87/569005387.db2.gz QBTAREBLGYEAKQ-UHFFFAOYSA-N 0 0 404.397 5.063 50 0 HKAARN O=C(Nc1ccccc1Br)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785139 569005384 /nfs/dbraw/zinc/00/53/84/569005384.db2.gz ZPKPPFADEOUERA-UHFFFAOYSA-N 0 0 411.230 5.649 50 0 HKAARN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000015785143 569005375 /nfs/dbraw/zinc/00/53/75/569005375.db2.gz OYUIPAMFDYISJQ-UHFFFAOYSA-N 0 0 414.480 5.729 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785161 569005400 /nfs/dbraw/zinc/00/54/00/569005400.db2.gz XPGZTFMSZCTHQR-UHFFFAOYSA-N 0 0 400.331 5.905 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785195 569005358 /nfs/dbraw/zinc/00/53/58/569005358.db2.gz NELBXMLQJLPWRD-UHFFFAOYSA-N 0 0 411.230 5.649 50 0 HKAARN CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1Nc1ccc(F)c(Cl)c1 ZINC000015785829 569006412 /nfs/dbraw/zinc/00/64/12/569006412.db2.gz JBYSLEOYUAGNDT-UHFFFAOYSA-N 0 0 413.859 5.261 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3CCCCCC3)cc2)nc1CN1CCc2ccccc21 ZINC000015785933 569006749 /nfs/dbraw/zinc/00/67/49/569006749.db2.gz QRLPSIKHSBEVOK-UHFFFAOYSA-N 0 0 415.537 5.229 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)nc1CN1CCc2ccccc21 ZINC000015785934 569006733 /nfs/dbraw/zinc/00/67/33/569006733.db2.gz DJOMFYXIGZBVBV-UHFFFAOYSA-N 0 0 415.537 5.085 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000015786516 569007607 /nfs/dbraw/zinc/00/76/07/569007607.db2.gz WIZQWZHAIOZHEQ-UHFFFAOYSA-N 0 0 422.529 5.609 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786524 569007617 /nfs/dbraw/zinc/00/76/17/569007617.db2.gz HNCHISPRRFZATI-UHFFFAOYSA-N 0 0 419.403 5.781 50 0 HKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(Cl)ccc4C)sc3n2)cc1 ZINC000015786533 569007648 /nfs/dbraw/zinc/00/76/48/569007648.db2.gz AJOIKKIKVYLXMY-UHFFFAOYSA-N 0 0 411.914 5.594 50 0 HKAARN C[C@]12CC3CC(C(=O)NC(=S)Nc4ccc(Br)cc4)(C1)C[C@@](C)(C3)C2 ZINC000015799555 558753807 /nfs/dbraw/zinc/75/38/07/558753807.db2.gz JSDQVDJKXLHASM-GOSFSIBNSA-N 0 0 421.404 5.259 50 0 HKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000015799856 558753795 /nfs/dbraw/zinc/75/37/95/558753795.db2.gz GGVDGMMLDDJDMY-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000015800297 558753997 /nfs/dbraw/zinc/75/39/97/558753997.db2.gz OLRYTTXXVAQCDH-MFOYZWKCSA-N 0 0 423.321 5.110 50 0 HKAARN O=C(Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1)C1CCCCC1 ZINC000015821121 569010617 /nfs/dbraw/zinc/01/06/17/569010617.db2.gz RLYYJGFKQZALSK-UHFFFAOYSA-N 0 0 424.342 5.821 50 0 HKAARN Cc1cccc(-c2cc(NC(=O)COc3ccc(C)c(C)c3)n(-c3ccccc3)n2)c1 ZINC000015821164 569010703 /nfs/dbraw/zinc/01/07/03/569010703.db2.gz GTJATMGZBINJET-UHFFFAOYSA-N 0 0 411.505 5.482 50 0 HKAARN Cc1cccc(-c2cc(NC(=O)COc3ccccc3Cl)n(-c3ccccc3)n2)c1 ZINC000015821167 569010707 /nfs/dbraw/zinc/01/07/07/569010707.db2.gz ZJRROORFBHNXPN-UHFFFAOYSA-N 0 0 417.896 5.519 50 0 HKAARN Cc1cccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 ZINC000015821170 569010719 /nfs/dbraw/zinc/01/07/19/569010719.db2.gz XFYISGLUOITQNU-UHFFFAOYSA-N 0 0 417.896 5.519 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1C ZINC000015821188 569010727 /nfs/dbraw/zinc/01/07/27/569010727.db2.gz CZUSJXZTFQDLDO-UHFFFAOYSA-N 0 0 415.468 5.313 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 ZINC000015821191 569010688 /nfs/dbraw/zinc/01/06/88/569010688.db2.gz PGVHYCRWBXARPU-UHFFFAOYSA-N 0 0 413.496 6.228 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821216 569010684 /nfs/dbraw/zinc/01/06/84/569010684.db2.gz BWRJWFVISJGDQC-UHFFFAOYSA-N 0 0 417.896 5.519 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)c1 ZINC000015821220 569010709 /nfs/dbraw/zinc/01/07/09/569010709.db2.gz GFVIIHDLVGADFS-UHFFFAOYSA-N 0 0 417.896 5.519 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000015821223 569010687 /nfs/dbraw/zinc/01/06/87/569010687.db2.gz HXMMIRGWWQBUNM-UHFFFAOYSA-N 0 0 417.896 5.519 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821238 569010705 /nfs/dbraw/zinc/01/07/05/569010705.db2.gz JRZRMMYLAGZTHZ-QGZVFWFLSA-N 0 0 417.896 5.599 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821242 569010734 /nfs/dbraw/zinc/01/07/34/569010734.db2.gz JRZRMMYLAGZTHZ-KRWDZBQOSA-N 0 0 417.896 5.599 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000015821249 569010728 /nfs/dbraw/zinc/01/07/28/569010728.db2.gz SJHAWPWVSIMORK-UHFFFAOYSA-N 0 0 417.896 5.844 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015822521 569010896 /nfs/dbraw/zinc/01/08/96/569010896.db2.gz VRHHPDOHVSITTD-QHCPKHFHSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015822524 569010874 /nfs/dbraw/zinc/01/08/74/569010874.db2.gz VRHHPDOHVSITTD-HSZRJFAPSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000015822534 569010897 /nfs/dbraw/zinc/01/08/97/569010897.db2.gz ZEIWVQQKHWVYNG-QHCPKHFHSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015822537 569010877 /nfs/dbraw/zinc/01/08/77/569010877.db2.gz ZEIWVQQKHWVYNG-HSZRJFAPSA-N 0 0 404.872 5.748 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822541 569010900 /nfs/dbraw/zinc/01/09/00/569010900.db2.gz LIOWWSMLLLVWQL-DEOSSOPVSA-N 0 0 400.909 5.918 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000015822544 569010875 /nfs/dbraw/zinc/01/08/75/569010875.db2.gz LIOWWSMLLLVWQL-XMMPIXPASA-N 0 0 400.909 5.918 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000015822554 569010888 /nfs/dbraw/zinc/01/08/88/569010888.db2.gz OHUZKFQKEJFFKE-DEOSSOPVSA-N 0 0 400.909 5.918 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 ZINC000015822557 569010908 /nfs/dbraw/zinc/01/09/08/569010908.db2.gz OHUZKFQKEJFFKE-XMMPIXPASA-N 0 0 400.909 5.918 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)cc1 ZINC000015822588 569010883 /nfs/dbraw/zinc/01/08/83/569010883.db2.gz HCBKPSPNWAJGNL-DEOSSOPVSA-N 0 0 416.521 5.817 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)cc1 ZINC000015822591 569010907 /nfs/dbraw/zinc/01/09/07/569010907.db2.gz HCBKPSPNWAJGNL-XMMPIXPASA-N 0 0 416.521 5.817 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1 ZINC000015822595 569010892 /nfs/dbraw/zinc/01/08/92/569010892.db2.gz MRXBWNUCIWBGPB-VWLOTQADSA-N 0 0 412.558 5.986 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1 ZINC000015822598 569010904 /nfs/dbraw/zinc/01/09/04/569010904.db2.gz MRXBWNUCIWBGPB-RUZDIDTESA-N 0 0 412.558 5.986 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000015822604 569010902 /nfs/dbraw/zinc/01/09/02/569010902.db2.gz ZGRQBZKKFBRNHO-VWLOTQADSA-N 0 0 412.558 5.986 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000015822608 569010886 /nfs/dbraw/zinc/01/08/86/569010886.db2.gz ZGRQBZKKFBRNHO-RUZDIDTESA-N 0 0 412.558 5.986 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000015822632 569010867 /nfs/dbraw/zinc/01/08/67/569010867.db2.gz HVMILJZYTBADGE-DEOSSOPVSA-N 0 0 416.521 5.817 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000015822635 569010901 /nfs/dbraw/zinc/01/09/01/569010901.db2.gz HVMILJZYTBADGE-XMMPIXPASA-N 0 0 416.521 5.817 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000015822638 569010906 /nfs/dbraw/zinc/01/09/06/569010906.db2.gz ACUJZKKYCLHFPL-DEOSSOPVSA-N 0 0 416.521 5.817 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000015822642 569010899 /nfs/dbraw/zinc/01/08/99/569010899.db2.gz ACUJZKKYCLHFPL-XMMPIXPASA-N 0 0 416.521 5.817 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)c1 ZINC000015822692 569010905 /nfs/dbraw/zinc/01/09/05/569010905.db2.gz XFCZMDMZEJRAFR-SANMLTNESA-N 0 0 410.517 5.663 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)c1 ZINC000015822695 569010884 /nfs/dbraw/zinc/01/08/84/569010884.db2.gz XFCZMDMZEJRAFR-AREMUKBSSA-N 0 0 410.517 5.663 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)c1 ZINC000015822699 569010895 /nfs/dbraw/zinc/01/08/95/569010895.db2.gz OJIOCXGYLHOJKK-SANMLTNESA-N 0 0 410.517 5.663 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)c1 ZINC000015822702 569010866 /nfs/dbraw/zinc/01/08/66/569010866.db2.gz OJIOCXGYLHOJKK-AREMUKBSSA-N 0 0 410.517 5.663 50 0 HKAARN O=C(c1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000015822726 569010868 /nfs/dbraw/zinc/01/08/68/569010868.db2.gz XXEBRYGBQWLDGV-QHCPKHFHSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000015822730 569010860 /nfs/dbraw/zinc/01/08/60/569010860.db2.gz XXEBRYGBQWLDGV-HSZRJFAPSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1cccc(F)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000015822747 569010957 /nfs/dbraw/zinc/01/09/57/569010957.db2.gz GADIGCJJNWJZGF-QHCPKHFHSA-N 0 0 404.872 5.748 50 0 HKAARN O=C(c1cccc(F)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000015822751 569010927 /nfs/dbraw/zinc/01/09/27/569010927.db2.gz GADIGCJJNWJZGF-HSZRJFAPSA-N 0 0 404.872 5.748 50 0 HKAARN CCN1c2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2Sc2ccccc2C1=O ZINC000015822985 569010960 /nfs/dbraw/zinc/01/09/60/569010960.db2.gz OVEJUYPUDKTQAN-UHFFFAOYSA-N 0 0 421.497 5.909 50 0 HKAARN CCN1c2ccc(NC(=O)Nc3ccccc3OC)cc2Sc2ccccc2C1=O ZINC000015822992 569011023 /nfs/dbraw/zinc/01/10/23/569011023.db2.gz BSKQBVHTYHRFHC-UHFFFAOYSA-N 0 0 419.506 5.471 50 0 HKAARN Brc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 ZINC000015823085 569011026 /nfs/dbraw/zinc/01/10/26/569011026.db2.gz LCXTYIGYHHNNPW-UHFFFAOYSA-N 0 0 410.275 5.026 50 0 HKAARN Ic1ccccc1OCCCCOc1cccc2cccnc21 ZINC000015823346 558754750 /nfs/dbraw/zinc/75/47/50/558754750.db2.gz OCFKSMAKMHDKHL-UHFFFAOYSA-N 0 0 419.262 5.077 50 0 HKAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1 ZINC000015824574 569011275 /nfs/dbraw/zinc/01/12/75/569011275.db2.gz YNEOQURTVVOIDD-UHFFFAOYSA-N 0 0 414.914 5.053 50 0 HKAARN O=C(CSc1nccn1C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000015825422 569011424 /nfs/dbraw/zinc/01/14/24/569011424.db2.gz FPFAEQTZXQEGMQ-UHFFFAOYSA-N 0 0 417.884 5.791 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1Cl ZINC000015825569 569011337 /nfs/dbraw/zinc/01/13/37/569011337.db2.gz QHIOJXVWKTWSSY-UHFFFAOYSA-N 0 0 406.338 5.277 50 0 HKAARN CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2Sc2ccccc2C1=O ZINC000015826055 569011482 /nfs/dbraw/zinc/01/14/82/569011482.db2.gz MXFFKJZUDYJADK-UHFFFAOYSA-N 0 0 418.562 5.583 50 0 HKAARN CN1c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2Sc2ccccc2C1=O ZINC000015826061 569011493 /nfs/dbraw/zinc/01/14/93/569011493.db2.gz OPUVNLDMHMTMPX-UHFFFAOYSA-N 0 0 412.873 5.473 50 0 HKAARN C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1F ZINC000015826354 569011524 /nfs/dbraw/zinc/01/15/24/569011524.db2.gz NYBQWFOKZNEKTQ-SSDOTTSWSA-N 0 0 408.615 5.109 50 0 HKAARN C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1F ZINC000015826357 569011542 /nfs/dbraw/zinc/01/15/42/569011542.db2.gz NYBQWFOKZNEKTQ-ZETCQYMHSA-N 0 0 408.615 5.109 50 0 HKAARN C[C@@H](NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1)c1ccccc1 ZINC000015826456 132462929 /nfs/dbraw/zinc/46/29/29/132462929.db2.gz KCYVKGSBGYSPFY-HXUWFJFHSA-N 0 0 413.521 5.010 50 0 HKAARN CC(C)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000015826501 569011530 /nfs/dbraw/zinc/01/15/30/569011530.db2.gz XPSGYQHSEBXJJR-UHFFFAOYSA-N 0 0 403.432 5.380 50 0 HKAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000015826802 569011567 /nfs/dbraw/zinc/01/15/67/569011567.db2.gz ZAXFRUXCPUSTFX-UHFFFAOYSA-N 0 0 418.518 5.282 50 0 HKAARN CC(C)c1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000015827258 132463002 /nfs/dbraw/zinc/46/30/02/132463002.db2.gz ZUBXPXKNLWVDMT-UHFFFAOYSA-N 0 0 424.497 5.285 50 0 HKAARN CC(C)c1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000015827264 569011627 /nfs/dbraw/zinc/01/16/27/569011627.db2.gz CPSNUELBLZGAIX-UHFFFAOYSA-N 0 0 424.497 5.285 50 0 HKAARN CC(C)c1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000015827270 569011630 /nfs/dbraw/zinc/01/16/30/569011630.db2.gz FKGBWPFGQNSFBA-UHFFFAOYSA-N 0 0 406.507 5.146 50 0 HKAARN CSc1cccc(N2C(=O)N(Cc3ccc(C)cc3)c3ccccc3S2(=O)=O)c1 ZINC000015827281 569011588 /nfs/dbraw/zinc/01/15/88/569011588.db2.gz OJUPPHOAADWPSE-UHFFFAOYSA-N 0 0 424.547 5.052 50 0 HKAARN CC(C)c1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1 ZINC000015827303 132462977 /nfs/dbraw/zinc/46/29/77/132462977.db2.gz DKMMQYYUFOTBRE-UHFFFAOYSA-N 0 0 424.497 5.285 50 0 HKAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CCC(Cc2ccccc2)CC1 ZINC000015827446 558754863 /nfs/dbraw/zinc/75/48/63/558754863.db2.gz OEMNRPVGNIBAEF-UHFFFAOYSA-N 0 0 417.944 5.236 50 0 HKAARN Clc1cccc(-n2ncc3c2ncnc3Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000015827451 558754946 /nfs/dbraw/zinc/75/49/46/558754946.db2.gz YHCJNSADWBLJPX-UHFFFAOYSA-N 0 0 412.884 5.956 50 0 HKAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccc(Br)cc2s1 ZINC000015827672 569011755 /nfs/dbraw/zinc/01/17/55/569011755.db2.gz UOINZHUALHJFCM-UHFFFAOYSA-N 0 0 414.328 5.502 50 0 HKAARN Cc1ccc(-n2cc(C(=O)N3CCCc4ccccc43)c3ccccc3c2=O)cc1C ZINC000015827749 569011701 /nfs/dbraw/zinc/01/17/01/569011701.db2.gz IWJBUHVYOVSPRS-UHFFFAOYSA-N 0 0 408.501 5.201 50 0 HKAARN Cc1cc(C)n(CCC(=O)Nc2cccc(-c3ccc4cc(C(C)C)ccc4n3)c2)n1 ZINC000015827830 569011716 /nfs/dbraw/zinc/01/17/16/569011716.db2.gz RYQGOPNKTUYIIV-UHFFFAOYSA-N 0 0 412.537 5.867 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)oc2c1 ZINC000015828417 569011882 /nfs/dbraw/zinc/01/18/82/569011882.db2.gz DYHWUDKRXMESQC-UHFFFAOYSA-N 0 0 404.897 6.832 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2snnc2c1 ZINC000015828435 569011904 /nfs/dbraw/zinc/01/19/04/569011904.db2.gz KOLBEHAVFHIPIW-UHFFFAOYSA-N 0 0 420.441 5.010 50 0 HKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Sc2ccccc2)cc1 ZINC000015828692 569011824 /nfs/dbraw/zinc/01/18/24/569011824.db2.gz UYFCOEDRPJLYGG-UHFFFAOYSA-N 0 0 421.543 5.536 50 0 HKAARN Cc1cccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)no3)c2-n2cccc2)c1 ZINC000015829090 558754911 /nfs/dbraw/zinc/75/49/11/558754911.db2.gz GVMVAAMQYWOTLL-UHFFFAOYSA-N 0 0 417.921 6.885 50 0 HKAARN CCOC(=O)c1cc(Nc2ccc(Br)cc2)c2cc(Cl)ccc2n1 ZINC000015829144 569011791 /nfs/dbraw/zinc/01/17/91/569011791.db2.gz SEGJOKCNYQZREM-UHFFFAOYSA-N 0 0 405.679 5.571 50 0 HKAARN CCOC(=O)c1cc(Nc2ccc(Br)c(C)c2)c2cc(Cl)ccc2n1 ZINC000015829158 569011830 /nfs/dbraw/zinc/01/18/30/569011830.db2.gz YYFNDOLOZFKLJF-UHFFFAOYSA-N 0 0 419.706 5.879 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)nc2ccc(Cl)cc21 ZINC000015829200 569011797 /nfs/dbraw/zinc/01/17/97/569011797.db2.gz LSBSBUYMUJBAPM-UHFFFAOYSA-N 0 0 419.706 5.610 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(Br)cc2)nc2ccc(Cl)cc21 ZINC000015829211 569011804 /nfs/dbraw/zinc/01/18/04/569011804.db2.gz UYKMKCUQHKAXHF-UHFFFAOYSA-N 0 0 405.679 5.302 50 0 HKAARN Cc1ccc(-c2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1C ZINC000015829377 569011828 /nfs/dbraw/zinc/01/18/28/569011828.db2.gz RXXWTYNBYDEUSN-UHFFFAOYSA-N 0 0 401.894 5.284 50 0 HKAARN Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1C ZINC000015829379 558754877 /nfs/dbraw/zinc/75/48/77/558754877.db2.gz RHKXVHOYVFVDBN-UHFFFAOYSA-N 0 0 417.456 5.510 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)c(OC)c1 ZINC000015829598 558754904 /nfs/dbraw/zinc/75/49/04/558754904.db2.gz BIPATINVKQABJJ-QHCPKHFHSA-N 0 0 417.505 5.113 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)c(OC)c1 ZINC000015829600 558754930 /nfs/dbraw/zinc/75/49/30/558754930.db2.gz BIPATINVKQABJJ-HSZRJFAPSA-N 0 0 417.505 5.113 50 0 HKAARN O=C(CSc1nnc(N2CCCCC2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000015829831 569012021 /nfs/dbraw/zinc/01/20/21/569012021.db2.gz FQWCPDWOMQJZHO-UHFFFAOYSA-N 0 0 412.946 5.004 50 0 HKAARN COc1ccc(-c2nc3sc4c(c3c(OCc3ccc(C)cc3)n2)CCCC4)cc1 ZINC000015829975 569011916 /nfs/dbraw/zinc/01/19/16/569011916.db2.gz GVKAZSCOFKBVCY-UHFFFAOYSA-N 0 0 416.546 6.133 50 0 HKAARN Cc1ccc(COc2nc(-c3ccc(F)cc3)nc3sc4c(c32)CCCC4)cc1 ZINC000015830004 569011886 /nfs/dbraw/zinc/01/18/86/569011886.db2.gz AXYQXQPAOFUFDW-UHFFFAOYSA-N 0 0 404.510 6.264 50 0 HKAARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(C)cs2)c1OC ZINC000015830272 569012081 /nfs/dbraw/zinc/01/20/81/569012081.db2.gz JRBALIPSVRUHJW-SFHVURJKSA-N 0 0 413.930 5.478 50 0 HKAARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(C)cs2)c1OC ZINC000015830274 569012055 /nfs/dbraw/zinc/01/20/55/569012055.db2.gz JRBALIPSVRUHJW-GOSISDBHSA-N 0 0 413.930 5.478 50 0 HKAARN Cc1nn(C)c(NC(=O)Nc2ccc(Br)c(C)c2)c1C1=CCCCC1 ZINC000015830750 569012145 /nfs/dbraw/zinc/01/21/45/569012145.db2.gz FNROMIFRYBQBFP-UHFFFAOYSA-N 0 0 403.324 5.401 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000015830760 558755273 /nfs/dbraw/zinc/75/52/73/558755273.db2.gz VGHHYTOOMXGPPY-UHFFFAOYSA-N 0 0 401.491 5.590 50 0 HKAARN COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C(C)(C)C)cc(O)c2O3)c1OC ZINC000015830910 569012216 /nfs/dbraw/zinc/01/22/16/569012216.db2.gz RPPKKAAHPPAUNM-UHFFFAOYSA-N 0 0 424.522 5.523 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 ZINC000015830975 569012210 /nfs/dbraw/zinc/01/22/10/569012210.db2.gz XTXUCZWWUJXZRD-UHFFFAOYSA-N 0 0 413.443 5.008 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000015831014 569012238 /nfs/dbraw/zinc/01/22/38/569012238.db2.gz IYGFZUDSEUBAIE-RUZDIDTESA-N 0 0 421.544 5.964 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000015831016 569012292 /nfs/dbraw/zinc/01/22/92/569012292.db2.gz IYGFZUDSEUBAIE-VWLOTQADSA-N 0 0 421.544 5.964 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc(-c3ncccc3-n3c(C)ccc3C)cc2)cc1 ZINC000015831018 569012344 /nfs/dbraw/zinc/01/23/44/569012344.db2.gz SJDRCEJVSGFSCO-UHFFFAOYSA-N 0 0 423.560 6.751 50 0 HKAARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)oc2cc(C)cc(C)c12 ZINC000015831059 558755249 /nfs/dbraw/zinc/75/52/49/558755249.db2.gz MDBIDYJTKHSKRQ-UHFFFAOYSA-N 0 0 407.897 6.447 50 0 HKAARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)oc2cc(C)cc(C)c12 ZINC000015831073 558755194 /nfs/dbraw/zinc/75/51/94/558755194.db2.gz QJFZZQDXNCRLML-UHFFFAOYSA-N 0 0 407.897 6.447 50 0 HKAARN Cc1c(C(=O)N(Cc2ccco2)Cc2cccc(Cl)c2)oc2cc(C)cc(C)c12 ZINC000015831077 558755262 /nfs/dbraw/zinc/75/52/62/558755262.db2.gz YSDZGWNTTMRHHA-UHFFFAOYSA-N 0 0 407.897 6.447 50 0 HKAARN Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)cc(=O)c2c1 ZINC000015831185 558755198 /nfs/dbraw/zinc/75/51/98/558755198.db2.gz FZAZKCFHIQIPSL-UHFFFAOYSA-N 0 0 407.853 5.190 50 0 HKAARN CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 ZINC000015831191 558755428 /nfs/dbraw/zinc/75/54/28/558755428.db2.gz GCKDQVYCEWQGPY-UHFFFAOYSA-N 0 0 413.473 5.347 50 0 HKAARN Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)oc2c1 ZINC000015831257 558755321 /nfs/dbraw/zinc/75/53/21/558755321.db2.gz YKCZHIQDRKWQIG-UHFFFAOYSA-N 0 0 421.880 5.499 50 0 HKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 ZINC000015831326 558755432 /nfs/dbraw/zinc/75/54/32/558755432.db2.gz QPXSFVGOICRGJA-UHFFFAOYSA-N 0 0 413.473 5.265 50 0 HKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000015831756 558755347 /nfs/dbraw/zinc/75/53/47/558755347.db2.gz ILLBNHFUOXRVTD-UHFFFAOYSA-N 0 0 401.531 6.010 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000015832015 558755420 /nfs/dbraw/zinc/75/54/20/558755420.db2.gz KXRPOLGVPVOQGF-FQEVSTJZSA-N 0 0 411.929 5.833 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000015832017 558755388 /nfs/dbraw/zinc/75/53/88/558755388.db2.gz KXRPOLGVPVOQGF-HXUWFJFHSA-N 0 0 411.929 5.833 50 0 HKAARN Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)oc2cc(C)cc(C)c12 ZINC000015832019 558755309 /nfs/dbraw/zinc/75/53/09/558755309.db2.gz YFTFUCKYNRIJMM-FQEVSTJZSA-N 0 0 411.929 5.833 50 0 HKAARN Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)oc2cc(C)cc(C)c12 ZINC000015832021 558755333 /nfs/dbraw/zinc/75/53/33/558755333.db2.gz YFTFUCKYNRIJMM-HXUWFJFHSA-N 0 0 411.929 5.833 50 0 HKAARN CCCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000015832045 558755336 /nfs/dbraw/zinc/75/53/36/558755336.db2.gz AOISGNXXTOUHOJ-UHFFFAOYSA-N 0 0 406.526 5.807 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(C)c1Cl ZINC000015832055 558755412 /nfs/dbraw/zinc/75/54/12/558755412.db2.gz LEDRRNASXHHZRS-MRXNPFEDSA-N 0 0 412.917 5.272 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(C)c1Cl ZINC000015832057 558755352 /nfs/dbraw/zinc/75/53/52/558755352.db2.gz LEDRRNASXHHZRS-INIZCTEOSA-N 0 0 412.917 5.272 50 0 HKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832059 558755340 /nfs/dbraw/zinc/75/53/40/558755340.db2.gz UVAXOXVOBAURAX-QGZVFWFLSA-N 0 0 406.526 5.299 50 0 HKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832061 558755402 /nfs/dbraw/zinc/75/54/02/558755402.db2.gz UVAXOXVOBAURAX-KRWDZBQOSA-N 0 0 406.526 5.299 50 0 HKAARN Cc1ccc2c(c1)sc(C(=O)N1CCC(c3nc4ccccc4o3)CC1)c2Cl ZINC000015832096 558755407 /nfs/dbraw/zinc/75/54/07/558755407.db2.gz HVSRVWBWZDKYDJ-UHFFFAOYSA-N 0 0 410.926 6.024 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl ZINC000015832362 558755357 /nfs/dbraw/zinc/75/53/57/558755357.db2.gz YTVABMOMVUWKDA-OAHLLOKOSA-N 0 0 400.931 5.164 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl ZINC000015832364 558755378 /nfs/dbraw/zinc/75/53/78/558755378.db2.gz YTVABMOMVUWKDA-HNNXBMFYSA-N 0 0 400.931 5.164 50 0 HKAARN Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000015832538 558755523 /nfs/dbraw/zinc/75/55/23/558755523.db2.gz ALAOLPUSCAZBGJ-OAHLLOKOSA-N 0 0 400.931 5.164 50 0 HKAARN Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000015832540 558755547 /nfs/dbraw/zinc/75/55/47/558755547.db2.gz ALAOLPUSCAZBGJ-HNNXBMFYSA-N 0 0 400.931 5.164 50 0 HKAARN Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832542 558755538 /nfs/dbraw/zinc/75/55/38/558755538.db2.gz HNFMBFJQADSGKG-MRXNPFEDSA-N 0 0 414.958 5.472 50 0 HKAARN Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832544 558755517 /nfs/dbraw/zinc/75/55/17/558755517.db2.gz HNFMBFJQADSGKG-INIZCTEOSA-N 0 0 414.958 5.472 50 0 HKAARN Cc1ccc(-c2nc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832554 558755552 /nfs/dbraw/zinc/75/55/52/558755552.db2.gz GRWWGGCXJNZIFD-UHFFFAOYSA-N 0 0 400.931 5.084 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832619 558755585 /nfs/dbraw/zinc/75/55/85/558755585.db2.gz CEBCORFEVFVZTO-UHFFFAOYSA-N 0 0 410.926 6.065 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000015832714 558755613 /nfs/dbraw/zinc/75/56/13/558755613.db2.gz QBDCLODACPSKBM-MRXNPFEDSA-N 0 0 424.566 5.200 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000015832716 558755592 /nfs/dbraw/zinc/75/55/92/558755592.db2.gz QBDCLODACPSKBM-INIZCTEOSA-N 0 0 424.566 5.200 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000015832753 558755572 /nfs/dbraw/zinc/75/55/72/558755572.db2.gz FUJVRKMRJAUAIK-QGZVFWFLSA-N 0 0 424.566 5.334 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000015832755 558755627 /nfs/dbraw/zinc/75/56/27/558755627.db2.gz FUJVRKMRJAUAIK-KRWDZBQOSA-N 0 0 424.566 5.334 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000015832762 558755604 /nfs/dbraw/zinc/75/56/04/558755604.db2.gz UFELJOITERCVLH-UHFFFAOYSA-N 0 0 414.530 5.267 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 ZINC000015832770 558755542 /nfs/dbraw/zinc/75/55/42/558755542.db2.gz XONJVXIGBWCHBY-UHFFFAOYSA-N 0 0 414.939 5.617 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)c3oc4cc(C)c(C)cc4c3C)cs2)cc1 ZINC000015832776 558755624 /nfs/dbraw/zinc/75/56/24/558755624.db2.gz WUMYHMKSANYDGA-UHFFFAOYSA-N 0 0 406.507 5.420 50 0 HKAARN COc1ccc(-c2nc(CNC(=O)c3oc4ccc(Cl)cc4c3C)cs2)cc1 ZINC000015832778 558755620 /nfs/dbraw/zinc/75/56/20/558755620.db2.gz SHAHRBZMNZDMHT-UHFFFAOYSA-N 0 0 412.898 5.457 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)NCCc3csc(-c4ccccc4)n3)sc2c1 ZINC000015832788 558755634 /nfs/dbraw/zinc/75/56/34/558755634.db2.gz FBQDKKROWPVCGC-UHFFFAOYSA-N 0 0 412.967 5.959 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 ZINC000015832790 558755589 /nfs/dbraw/zinc/75/55/89/558755589.db2.gz LCHQONHRHWVWSS-UHFFFAOYSA-N 0 0 412.967 5.959 50 0 HKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 ZINC000015832798 569012597 /nfs/dbraw/zinc/01/25/97/569012597.db2.gz JAYRNUDASKITBH-UHFFFAOYSA-N 0 0 420.559 6.028 50 0 HKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccco4)cc3s2)c1 ZINC000015832802 569012594 /nfs/dbraw/zinc/01/25/94/569012594.db2.gz ASSZTSANNSZFBL-UHFFFAOYSA-N 0 0 410.520 5.621 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCCOc3cccc(C)c3)sc2c1 ZINC000015832808 569012573 /nfs/dbraw/zinc/01/25/73/569012573.db2.gz WDEIKHOADPVABS-UHFFFAOYSA-N 0 0 400.569 5.905 50 0 HKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)CC(C)C)cc3s2)c1 ZINC000015832810 569012620 /nfs/dbraw/zinc/01/26/20/569012620.db2.gz DZWILYJLWJNXMZ-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c1 ZINC000015832812 569012593 /nfs/dbraw/zinc/01/25/93/569012593.db2.gz AJUGUNXPEKIBRN-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN CCC(CC)C(=O)Nc1ccc2nc(SCCOc3cccc(C)c3)sc2c1 ZINC000015832814 569012590 /nfs/dbraw/zinc/01/25/90/569012590.db2.gz VJXFMIVDZMASKH-UHFFFAOYSA-N 0 0 414.596 6.151 50 0 HKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)CC(C)C)cc2s1 ZINC000015832834 569012642 /nfs/dbraw/zinc/01/26/42/569012642.db2.gz FQHKWOHAMKNDNU-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN Cc1ccccc1OCCSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 ZINC000015832836 569012668 /nfs/dbraw/zinc/01/26/68/569012668.db2.gz OILVDELPNUGDOH-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN CCC(CC)C(=O)Nc1ccc2nc(SCCOc3ccccc3C)sc2c1 ZINC000015832838 569012675 /nfs/dbraw/zinc/01/26/75/569012675.db2.gz SCXNUSHRMXBRMM-UHFFFAOYSA-N 0 0 414.596 6.151 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(C)cc3)sc2c1 ZINC000015832853 569012656 /nfs/dbraw/zinc/01/26/56/569012656.db2.gz JKQUAWARMRLTNZ-UHFFFAOYSA-N 0 0 420.559 6.158 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)no2)cc1C ZINC000015833077 558755530 /nfs/dbraw/zinc/75/55/30/558755530.db2.gz CKUSSWUGZZTEGE-UHFFFAOYSA-N 0 0 420.896 6.047 50 0 HKAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000015833081 558755630 /nfs/dbraw/zinc/75/56/30/558755630.db2.gz ZTBJMVJBOVHDSR-UHFFFAOYSA-N 0 0 414.505 5.956 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000015833113 558755792 /nfs/dbraw/zinc/75/57/92/558755792.db2.gz WAKALGBYBCSTOI-UHFFFAOYSA-N 0 0 411.255 5.339 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000015833132 558755742 /nfs/dbraw/zinc/75/57/42/558755742.db2.gz BECZBECMZYHKCN-UHFFFAOYSA-N 0 0 418.905 6.924 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1F ZINC000015833145 569012854 /nfs/dbraw/zinc/01/28/54/569012854.db2.gz FPQHNLWIMOAGNN-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000015833159 569012856 /nfs/dbraw/zinc/01/28/56/569012856.db2.gz KJCQTPZHXGNESC-UHFFFAOYSA-N 0 0 422.868 5.483 50 0 HKAARN Cc1c(NC(=O)COc2ccccc2F)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000015833161 569012848 /nfs/dbraw/zinc/01/28/48/569012848.db2.gz QJZOVAMJVWUZDN-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN Cc1c(NC(=O)COc2ccc(F)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000015833163 569012797 /nfs/dbraw/zinc/01/27/97/569012797.db2.gz GMFVUXXYAKALCB-UHFFFAOYSA-N 0 0 410.832 5.613 50 0 HKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3O)nc2c1 ZINC000015833173 569012831 /nfs/dbraw/zinc/01/28/31/569012831.db2.gz LQGNIPVQNMTAIG-UHFFFAOYSA-N 0 0 408.841 5.180 50 0 HKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3O)nc2c1 ZINC000015833176 569012819 /nfs/dbraw/zinc/01/28/19/569012819.db2.gz MLKDHMGBXLTLAV-UHFFFAOYSA-N 0 0 408.841 5.180 50 0 HKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000015833197 558755759 /nfs/dbraw/zinc/75/57/59/558755759.db2.gz ZAKQQMOXWCYPPZ-QGZVFWFLSA-N 0 0 422.594 5.767 50 0 HKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000015833200 558755746 /nfs/dbraw/zinc/75/57/46/558755746.db2.gz ZAKQQMOXWCYPPZ-KRWDZBQOSA-N 0 0 422.594 5.767 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000015833209 558755737 /nfs/dbraw/zinc/75/57/37/558755737.db2.gz VNNYZPRKWSHRLL-UHFFFAOYSA-N 0 0 404.535 5.988 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000015833229 558755797 /nfs/dbraw/zinc/75/57/97/558755797.db2.gz VQIKAOAMSPKEEJ-SECBINFHSA-N 0 0 405.317 5.337 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000015833231 558755770 /nfs/dbraw/zinc/75/57/70/558755770.db2.gz VQIKAOAMSPKEEJ-VIFPVBQESA-N 0 0 405.317 5.337 50 0 HKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000015833251 558755751 /nfs/dbraw/zinc/75/57/51/558755751.db2.gz PKRKEGGHYGVMQK-SECBINFHSA-N 0 0 405.317 5.337 50 0 HKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000015833254 558755740 /nfs/dbraw/zinc/75/57/40/558755740.db2.gz PKRKEGGHYGVMQK-VIFPVBQESA-N 0 0 405.317 5.337 50 0 HKAARN O=C(NCCSc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000015833527 558755765 /nfs/dbraw/zinc/75/57/65/558755765.db2.gz CEERTVGKFAEXIA-UHFFFAOYSA-N 0 0 400.503 5.531 50 0 HKAARN Cc1cccc(C)c1OCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000015833672 569012703 /nfs/dbraw/zinc/01/27/03/569012703.db2.gz RHEUQTWPQQSDEC-LJQANCHMSA-N 0 0 417.509 5.206 50 0 HKAARN Cc1cccc(C)c1OCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000015833675 569012760 /nfs/dbraw/zinc/01/27/60/569012760.db2.gz RHEUQTWPQQSDEC-IBGZPJMESA-N 0 0 417.509 5.206 50 0 HKAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000015833683 569012748 /nfs/dbraw/zinc/01/27/48/569012748.db2.gz GSSNWUJOYBAZQL-MRXNPFEDSA-N 0 0 423.900 5.243 50 0 HKAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000015833686 569012763 /nfs/dbraw/zinc/01/27/63/569012763.db2.gz GSSNWUJOYBAZQL-INIZCTEOSA-N 0 0 423.900 5.243 50 0 HKAARN CN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835530 558755782 /nfs/dbraw/zinc/75/57/82/558755782.db2.gz QSCSRXQEOUPBGV-JOCHJYFZSA-N 0 0 410.926 5.510 50 0 HKAARN CN(C(=O)COc1ccc(Cl)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835532 558755743 /nfs/dbraw/zinc/75/57/43/558755743.db2.gz QSCSRXQEOUPBGV-QFIPXVFZSA-N 0 0 410.926 5.510 50 0 HKAARN CN(C(=O)COc1ccccc1Cl)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835577 558755779 /nfs/dbraw/zinc/75/57/79/558755779.db2.gz VGCDMMYMMHJBHM-JOCHJYFZSA-N 0 0 410.926 5.510 50 0 HKAARN CN(C(=O)COc1ccccc1Cl)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835579 558755756 /nfs/dbraw/zinc/75/57/56/558755756.db2.gz VGCDMMYMMHJBHM-QFIPXVFZSA-N 0 0 410.926 5.510 50 0 HKAARN Cc1cccc(C)c1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835581 558755990 /nfs/dbraw/zinc/75/59/90/558755990.db2.gz BQBHJTQEZAADSQ-HSZRJFAPSA-N 0 0 404.535 5.473 50 0 HKAARN Cc1cccc(C)c1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835583 558755946 /nfs/dbraw/zinc/75/59/46/558755946.db2.gz BQBHJTQEZAADSQ-QHCPKHFHSA-N 0 0 404.535 5.473 50 0 HKAARN CC(C)Oc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835585 558756006 /nfs/dbraw/zinc/75/60/06/558756006.db2.gz FOCWKINRUIGSED-HSZRJFAPSA-N 0 0 404.535 5.878 50 0 HKAARN CC(C)Oc1ccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835587 558755927 /nfs/dbraw/zinc/75/59/27/558755927.db2.gz FOCWKINRUIGSED-QHCPKHFHSA-N 0 0 404.535 5.878 50 0 HKAARN Cc1cc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)ccc1Cl ZINC000015835589 558755968 /nfs/dbraw/zinc/75/59/68/558755968.db2.gz IIUUDXIQDUAJNC-HSZRJFAPSA-N 0 0 424.953 5.818 50 0 HKAARN Cc1cc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)ccc1Cl ZINC000015835591 558755973 /nfs/dbraw/zinc/75/59/73/558755973.db2.gz IIUUDXIQDUAJNC-QHCPKHFHSA-N 0 0 424.953 5.818 50 0 HKAARN Cc1cccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000015835593 558756021 /nfs/dbraw/zinc/75/60/21/558756021.db2.gz QJPDSPRIOPJCFX-XMMPIXPASA-N 0 0 404.535 5.473 50 0 HKAARN Cc1cccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000015835595 558755963 /nfs/dbraw/zinc/75/59/63/558755963.db2.gz QJPDSPRIOPJCFX-DEOSSOPVSA-N 0 0 404.535 5.473 50 0 HKAARN CCc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835610 558755956 /nfs/dbraw/zinc/75/59/56/558755956.db2.gz JCYQSISRNITIJU-XMMPIXPASA-N 0 0 404.535 5.419 50 0 HKAARN CCc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835612 558755935 /nfs/dbraw/zinc/75/59/35/558755935.db2.gz JCYQSISRNITIJU-DEOSSOPVSA-N 0 0 404.535 5.419 50 0 HKAARN Cc1cc(-c2nc3cc(NC(=O)/C=C\c4ccco4)ccc3o2)ccc1Br ZINC000015835910 558755884 /nfs/dbraw/zinc/75/58/84/558755884.db2.gz XTPSVHFJJXWHNY-TWGQIWQCSA-N 0 0 423.266 5.811 50 0 HKAARN CC(=O)c1ccc(NC(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000015836646 558755985 /nfs/dbraw/zinc/75/59/85/558755985.db2.gz ZMYBHOVMBHJISF-VKAVYKQESA-N 0 0 421.500 5.702 50 0 HKAARN COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000015836761 558756000 /nfs/dbraw/zinc/75/60/00/558756000.db2.gz XRLWCXWTLHBDDZ-SXGWCWSVSA-N 0 0 413.452 5.339 50 0 HKAARN COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000015837132 558756221 /nfs/dbraw/zinc/75/62/21/558756221.db2.gz NIJMJFICBBEJPP-ATVHPVEESA-N 0 0 409.489 5.508 50 0 HKAARN O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015838151 569013632 /nfs/dbraw/zinc/01/36/32/569013632.db2.gz UFZUWZKWMKUBIF-UHFFFAOYSA-N 0 0 413.908 6.035 50 0 HKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000015838153 569013637 /nfs/dbraw/zinc/01/36/37/569013637.db2.gz KEXFURWVOKYXGO-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015838156 569013608 /nfs/dbraw/zinc/01/36/08/569013608.db2.gz VOFMJENNLKCGLP-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000015838161 569013639 /nfs/dbraw/zinc/01/36/39/569013639.db2.gz JNFUGEAUZGSTOB-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000015838163 569013640 /nfs/dbraw/zinc/01/36/40/569013640.db2.gz KORMQZIBYSXBCJ-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015838170 569013625 /nfs/dbraw/zinc/01/36/25/569013625.db2.gz OQSVGINTSPKSEF-UHFFFAOYSA-N 0 0 407.517 5.999 50 0 HKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)n2)c1 ZINC000015838174 569013613 /nfs/dbraw/zinc/01/36/13/569013613.db2.gz SYLOMZXNDZONPL-UHFFFAOYSA-N 0 0 409.489 5.688 50 0 HKAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1 ZINC000015838175 569013642 /nfs/dbraw/zinc/01/36/42/569013642.db2.gz HKIIKPKGWNRYIZ-UHFFFAOYSA-N 0 0 409.489 5.688 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015838183 569013636 /nfs/dbraw/zinc/01/36/36/569013636.db2.gz FFQZFOABUUPXPE-UHFFFAOYSA-N 0 0 423.516 5.699 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccc(C)cc3)n2)cc1 ZINC000015838185 569013606 /nfs/dbraw/zinc/01/36/06/569013606.db2.gz WAOJGDGRDSDCRD-UHFFFAOYSA-N 0 0 409.489 5.688 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000015838187 569013645 /nfs/dbraw/zinc/01/36/45/569013645.db2.gz DYEVEVOAILGEGF-UHFFFAOYSA-N 0 0 413.452 5.519 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3C)n2)cc1 ZINC000015838189 569013599 /nfs/dbraw/zinc/01/35/99/569013599.db2.gz VLPKPPKSJQADIQ-UHFFFAOYSA-N 0 0 409.489 5.688 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3F)n2)cc1 ZINC000015838191 569013620 /nfs/dbraw/zinc/01/36/20/569013620.db2.gz UVWQUAKXSWTSOR-UHFFFAOYSA-N 0 0 413.452 5.519 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3cccc(C)c3)n2)cc1 ZINC000015838193 569013626 /nfs/dbraw/zinc/01/36/26/569013626.db2.gz CSBIXPKOOGMFPC-UHFFFAOYSA-N 0 0 409.489 5.688 50 0 HKAARN CCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(OC)cc2)n1 ZINC000015838198 569013648 /nfs/dbraw/zinc/01/36/48/569013648.db2.gz CLZHCBOSBQXWMQ-UHFFFAOYSA-N 0 0 409.917 5.991 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)c3ccccc3)n2)cc1 ZINC000015838202 569013641 /nfs/dbraw/zinc/01/36/41/569013641.db2.gz KOCKVCGMWNBNNF-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000015838251 569013624 /nfs/dbraw/zinc/01/36/24/569013624.db2.gz XAGVSRSQQPRGGL-HXUWFJFHSA-N 0 0 412.272 5.700 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000015838253 569013614 /nfs/dbraw/zinc/01/36/14/569013614.db2.gz XAGVSRSQQPRGGL-FQEVSTJZSA-N 0 0 412.272 5.700 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)c1 ZINC000015838544 558756235 /nfs/dbraw/zinc/75/62/35/558756235.db2.gz KBHMIAQHURXDCA-UHFFFAOYSA-N 0 0 408.910 5.624 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 ZINC000015838556 558756202 /nfs/dbraw/zinc/75/62/02/558756202.db2.gz GZBKAHNCVQJXHP-UHFFFAOYSA-N 0 0 422.937 5.878 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2F)s1)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838560 558756157 /nfs/dbraw/zinc/75/61/57/558756157.db2.gz OQSAJRVECFSQQQ-UHFFFAOYSA-N 0 0 412.873 5.455 50 0 HKAARN Cc1cc(C)cc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)c1 ZINC000015838595 558756246 /nfs/dbraw/zinc/75/62/46/558756246.db2.gz OCDPQVNXWAXGOU-UHFFFAOYSA-N 0 0 422.937 5.932 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1=Cc2cc(Br)ccc2OC=C1 ZINC000015838606 558756218 /nfs/dbraw/zinc/75/62/18/558756218.db2.gz YNPOOPZIPWHACH-UHFFFAOYSA-N 0 0 410.189 5.396 50 0 HKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)NC(c1ccccc1)c1ccccc1)=C2 ZINC000015838710 558756245 /nfs/dbraw/zinc/75/62/45/558756245.db2.gz BWDMOPKBEMOUKU-UHFFFAOYSA-N 0 0 417.892 5.544 50 0 HKAARN Cc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000015839968 558756716 /nfs/dbraw/zinc/75/67/16/558756716.db2.gz MMZDHLUUAOWJIY-UHFFFAOYSA-N 0 0 400.501 5.303 50 0 HKAARN Cc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)cc1 ZINC000015839974 558756741 /nfs/dbraw/zinc/75/67/41/558756741.db2.gz SKLDJBOMNYPFQD-UHFFFAOYSA-N 0 0 400.379 5.915 50 0 HKAARN Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839975 558756705 /nfs/dbraw/zinc/75/67/05/558756705.db2.gz RHHHSVJVTKVNCX-UHFFFAOYSA-N 0 0 414.406 5.517 50 0 HKAARN COc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)cc1 ZINC000015839977 558756763 /nfs/dbraw/zinc/75/67/63/558756763.db2.gz KDWOFKPITNVHGL-UHFFFAOYSA-N 0 0 416.378 5.615 50 0 HKAARN Cc1cccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)c1 ZINC000015839979 558756729 /nfs/dbraw/zinc/75/67/29/558756729.db2.gz YIXAQFPWJKCDLN-UHFFFAOYSA-N 0 0 400.379 5.915 50 0 HKAARN Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839981 558756702 /nfs/dbraw/zinc/75/67/02/558756702.db2.gz KJXHNORJORPJMX-UHFFFAOYSA-N 0 0 404.342 5.745 50 0 HKAARN Cc1cc(NCCC2=CCCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839984 558756723 /nfs/dbraw/zinc/75/67/23/558756723.db2.gz GNHYGRNODXAWKI-UHFFFAOYSA-N 0 0 418.438 6.165 50 0 HKAARN COc1cccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)c1 ZINC000015839988 558756735 /nfs/dbraw/zinc/75/67/35/558756735.db2.gz FAJZWHVHTOXPMF-UHFFFAOYSA-N 0 0 416.378 5.615 50 0 HKAARN Cc1nn2c(nc(C(C)(C)C)cc2NCCC2=CCCCC2)c1-c1ccc(F)cc1 ZINC000015840001 558756636 /nfs/dbraw/zinc/75/66/36/558756636.db2.gz MYYIODNSPPABMS-UHFFFAOYSA-N 0 0 406.549 6.444 50 0 HKAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCCc2ccccc2)cc1 ZINC000015840011 558756678 /nfs/dbraw/zinc/75/66/78/558756678.db2.gz KBBOBFHGCRPHSB-UHFFFAOYSA-N 0 0 410.443 5.687 50 0 HKAARN COc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)cc1 ZINC000015840013 558756720 /nfs/dbraw/zinc/75/67/20/558756720.db2.gz PHNCVJYHNJBCQF-UHFFFAOYSA-N 0 0 412.415 5.784 50 0 HKAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3Nc2ccc(F)cc2)cc1 ZINC000015840025 558756749 /nfs/dbraw/zinc/75/67/49/558756749.db2.gz OUBJCGLQSBEVPS-UHFFFAOYSA-N 0 0 400.379 5.915 50 0 HKAARN COc1cccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)c1 ZINC000015840030 558756689 /nfs/dbraw/zinc/75/66/89/558756689.db2.gz UBPVEJYBXALTLJ-UHFFFAOYSA-N 0 0 412.415 5.784 50 0 HKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)c(Br)c2)s1 ZINC000015840176 569013746 /nfs/dbraw/zinc/01/37/46/569013746.db2.gz JARZPZWXWXXZQP-UHFFFAOYSA-N 0 0 407.358 5.432 50 0 HKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000015840211 569013766 /nfs/dbraw/zinc/01/37/66/569013766.db2.gz DBDJXJRQAUEFLQ-UHFFFAOYSA-N 0 0 411.596 5.598 50 0 HKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000015840215 569013820 /nfs/dbraw/zinc/01/38/20/569013820.db2.gz KYKWKNKEAGEBMK-UHFFFAOYSA-N 0 0 406.532 6.154 50 0 HKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000015840223 569013789 /nfs/dbraw/zinc/01/37/89/569013789.db2.gz XGDHHGFEWSYSCE-UHFFFAOYSA-N 0 0 407.358 5.432 50 0 HKAARN CCOc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 ZINC000015840500 558756644 /nfs/dbraw/zinc/75/66/44/558756644.db2.gz ZOXOSPLNLJWRQG-UHFFFAOYSA-N 0 0 412.942 5.066 50 0 HKAARN CCOc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 ZINC000015840502 558756665 /nfs/dbraw/zinc/75/66/65/558756665.db2.gz PSACWJJMJCCMDN-UHFFFAOYSA-N 0 0 412.942 5.066 50 0 HKAARN CCCCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000015841119 558756682 /nfs/dbraw/zinc/75/66/82/558756682.db2.gz JSLDYLJKUXTYEK-UHFFFAOYSA-N 0 0 412.917 5.701 50 0 HKAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(Cl)cc5)nn4cnc32)cc1 ZINC000015842266 558756841 /nfs/dbraw/zinc/75/68/41/558756841.db2.gz DPKUBYOGDIDCSE-UHFFFAOYSA-N 0 0 417.900 5.404 50 0 HKAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccccc5Cl)nn4cnc32)cc1 ZINC000015842268 558756874 /nfs/dbraw/zinc/75/68/74/558756874.db2.gz SLUWRIOSZWAOOU-UHFFFAOYSA-N 0 0 417.900 5.404 50 0 HKAARN Cc1c(C)n(CC(C)C)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000015842280 558756815 /nfs/dbraw/zinc/75/68/15/558756815.db2.gz AJFCQQGWLMPVNP-UHFFFAOYSA-N 0 0 422.583 5.254 50 0 HKAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000015842288 569013786 /nfs/dbraw/zinc/01/37/86/569013786.db2.gz CQPAXOYWDQGJPJ-UHFFFAOYSA-N 0 0 410.525 5.353 50 0 HKAARN Cc1c(C)n(-c2cccc(C)n2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000015842290 558756891 /nfs/dbraw/zinc/75/68/91/558756891.db2.gz RFNYFGOJTOEFKX-UHFFFAOYSA-N 0 0 410.525 5.353 50 0 HKAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000015842385 558756808 /nfs/dbraw/zinc/75/68/08/558756808.db2.gz FLFXACDDZYYTKC-UHFFFAOYSA-N 0 0 410.506 5.270 50 0 HKAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4cccs4)nc3c12 ZINC000015842394 569013823 /nfs/dbraw/zinc/01/38/23/569013823.db2.gz DRJDWYOXVBKGSD-UHFFFAOYSA-N 0 0 402.508 5.023 50 0 HKAARN COc1ccc(-c2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1OC ZINC000015842410 558756933 /nfs/dbraw/zinc/75/69/33/558756933.db2.gz POULZJHKXLANTK-UHFFFAOYSA-N 0 0 419.529 5.275 50 0 HKAARN COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 ZINC000015842416 558756825 /nfs/dbraw/zinc/75/68/25/558756825.db2.gz NKGZARWVEKDVAO-UHFFFAOYSA-N 0 0 403.530 5.191 50 0 HKAARN Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000015842420 558756941 /nfs/dbraw/zinc/75/69/41/558756941.db2.gz ZSHAEFQWXRRFHS-UHFFFAOYSA-N 0 0 402.546 5.324 50 0 HKAARN Cc1ccc(COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 ZINC000015856177 558756936 /nfs/dbraw/zinc/75/69/36/558756936.db2.gz PWUOHNOVLXEVPF-CXUHLZMHSA-N 0 0 420.353 5.666 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000015856653 558757076 /nfs/dbraw/zinc/75/70/76/558757076.db2.gz RZCHTNJHCRTIBD-VMPITWQZSA-N 0 0 423.763 5.246 50 0 HKAARN COc1ccc(Cl)cc1Nc1nnc(-c2cc3cc(Cl)ccc3oc2=O)s1 ZINC000015856796 558757138 /nfs/dbraw/zinc/75/71/38/558757138.db2.gz GOEMKPLCSLOPQX-UHFFFAOYSA-N 0 0 420.277 5.371 50 0 HKAARN O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccccc2C(F)(F)F)n1 ZINC000015856829 558757167 /nfs/dbraw/zinc/75/71/67/558757167.db2.gz LFDTZHZBHYEZIJ-UHFFFAOYSA-N 0 0 422.815 6.332 50 0 HKAARN CC[C@@H](C)c1ccc(OCCCOc2ccc(C=C3SC(=O)NC3=O)cc2)cc1 ZINC000015857184 558757068 /nfs/dbraw/zinc/75/70/68/558757068.db2.gz WUZVSDASMNISAW-KQRQPNSISA-N 0 0 411.523 5.372 50 0 HKAARN CC[C@H](C)c1ccc(OCCCOc2ccc(C=C3SC(=O)NC3=O)cc2)cc1 ZINC000015857187 558757106 /nfs/dbraw/zinc/75/71/06/558757106.db2.gz WUZVSDASMNISAW-NOEYKIMYSA-N 0 0 411.523 5.372 50 0 HKAARN Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2C=C2SC(=O)NC2=O)c1 ZINC000015857231 558757090 /nfs/dbraw/zinc/75/70/90/558757090.db2.gz XSAZEISTASMFHU-UNOMPAQXSA-N 0 0 417.914 5.129 50 0 HKAARN CCOc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)cc1 ZINC000015858699 569014950 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/nfs/dbraw/zinc/01/68/25/569016825.db2.gz VEXUNUHIHKEJOH-UHFFFAOYSA-N 0 0 409.489 6.682 50 0 HKAARN CCOC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3c4ccccc4oc32)cc1 ZINC000015866581 569016822 /nfs/dbraw/zinc/01/68/22/569016822.db2.gz SOVALWWFUDGRKK-UHFFFAOYSA-N 0 0 410.429 6.012 50 0 HKAARN c1ccc(-c2ccc(Oc3nc(-c4ccccc4)nc4c5ccccc5oc43)cc2)cc1 ZINC000015866592 569016820 /nfs/dbraw/zinc/01/68/20/569016820.db2.gz IPRIYAFCBYTCBR-UHFFFAOYSA-N 0 0 414.464 7.502 50 0 HKAARN CCCCC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3c4ccccc4oc32)cc1 ZINC000015866593 569016815 /nfs/dbraw/zinc/01/68/15/569016815.db2.gz DPNRZQROGBNYMG-UHFFFAOYSA-N 0 0 422.484 7.208 50 0 HKAARN C[C@@H](c1ccccc1)c1cc(Cl)ccc1Oc1ncnc2c3ccccc3oc21 ZINC000015866597 569016814 /nfs/dbraw/zinc/01/68/14/569016814.db2.gz CTCQSHIFZCWNDF-HNNXBMFYSA-N 0 0 400.865 6.974 50 0 HKAARN C[C@H](c1ccccc1)c1cc(Cl)ccc1Oc1ncnc2c3ccccc3oc21 ZINC000015866598 569016839 /nfs/dbraw/zinc/01/68/39/569016839.db2.gz CTCQSHIFZCWNDF-OAHLLOKOSA-N 0 0 400.865 6.974 50 0 HKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000015866691 558758837 /nfs/dbraw/zinc/75/88/37/558758837.db2.gz VHLZUBLBOUERLK-INIZCTEOSA-N 0 0 414.390 5.125 50 0 HKAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000015866692 558758802 /nfs/dbraw/zinc/75/88/02/558758802.db2.gz VHLZUBLBOUERLK-MRXNPFEDSA-N 0 0 414.390 5.125 50 0 HKAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000015866693 558758842 /nfs/dbraw/zinc/75/88/42/558758842.db2.gz FADXTTAYWGEKRK-INIZCTEOSA-N 0 0 414.390 5.125 50 0 HKAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000015866694 558758856 /nfs/dbraw/zinc/75/88/56/558758856.db2.gz FADXTTAYWGEKRK-MRXNPFEDSA-N 0 0 414.390 5.125 50 0 HKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015866783 558758813 /nfs/dbraw/zinc/75/88/13/558758813.db2.gz QZQDMCQWCADOCJ-OAQYLSRUSA-N 0 0 403.613 6.102 50 0 HKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866784 558758811 /nfs/dbraw/zinc/75/88/11/558758811.db2.gz 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558758968 /nfs/dbraw/zinc/75/89/68/558758968.db2.gz GDQJPLPFWRNENP-MRXNPFEDSA-N 0 0 411.340 6.107 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1 ZINC000015867075 558759074 /nfs/dbraw/zinc/75/90/74/558759074.db2.gz UQALRSVZRQYBHR-LJQANCHMSA-N 0 0 400.544 5.311 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 ZINC000015867076 558759047 /nfs/dbraw/zinc/75/90/47/558759047.db2.gz UQALRSVZRQYBHR-IBGZPJMESA-N 0 0 400.544 5.311 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1 ZINC000015867077 558758959 /nfs/dbraw/zinc/75/89/59/558758959.db2.gz YDTSHJAVRXTJRE-OAQYLSRUSA-N 0 0 414.933 5.595 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1 ZINC000015867078 558759040 /nfs/dbraw/zinc/75/90/40/558759040.db2.gz YDTSHJAVRXTJRE-NRFANRHFSA-N 0 0 414.933 5.595 50 0 HKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000015867117 558759081 /nfs/dbraw/zinc/75/90/81/558759081.db2.gz FPPMDRIDGARKER-KRWDZBQOSA-N 0 0 407.377 6.277 50 0 HKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000015867118 558758987 /nfs/dbraw/zinc/75/89/87/558758987.db2.gz FPPMDRIDGARKER-QGZVFWFLSA-N 0 0 407.377 6.277 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)CC1 ZINC000015867143 558759060 /nfs/dbraw/zinc/75/90/60/558759060.db2.gz FMFJXRBILOFHMC-CTWPCTMYSA-N 0 0 406.592 5.053 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2ccc(C)s2)CC1 ZINC000015867144 558759084 /nfs/dbraw/zinc/75/90/84/558759084.db2.gz FMFJXRBILOFHMC-ACBHZAAOSA-N 0 0 406.592 5.053 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)CCCCC1 ZINC000015867151 558759036 /nfs/dbraw/zinc/75/90/36/558759036.db2.gz DBPHDQGJEXKMHG-GOSISDBHSA-N 0 0 406.592 5.339 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)CCCCC1 ZINC000015867152 558759090 /nfs/dbraw/zinc/75/90/90/558759090.db2.gz DBPHDQGJEXKMHG-SFHVURJKSA-N 0 0 406.592 5.339 50 0 HKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000015867241 558758977 /nfs/dbraw/zinc/75/89/77/558758977.db2.gz 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Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868332 569017017 /nfs/dbraw/zinc/01/70/17/569017017.db2.gz YHQOEIOQOBNWIX-GFCCVEGCSA-N 0 0 413.264 5.103 50 0 HKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)s3)sc2c1 ZINC000015868339 569017039 /nfs/dbraw/zinc/01/70/39/569017039.db2.gz XUYJQLOCQIECNB-CQSZACIVSA-N 0 0 424.551 5.033 50 0 HKAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)s3)sc2c1 ZINC000015868340 569017030 /nfs/dbraw/zinc/01/70/30/569017030.db2.gz XUYJQLOCQIECNB-AWEZNQCLSA-N 0 0 424.551 5.033 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)ccc2c1 ZINC000015868525 569017369 /nfs/dbraw/zinc/01/73/69/569017369.db2.gz CNRYLEGOQFZNLA-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN Cc1ccc(-c2coc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)n2)cc1 ZINC000015869032 558759721 /nfs/dbraw/zinc/75/97/21/558759721.db2.gz QXBAGWDDCDGFNF-UHFFFAOYSA-N 0 0 410.517 6.867 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1OC ZINC000015869033 558759707 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O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1F ZINC000015869113 558759735 /nfs/dbraw/zinc/75/97/35/558759735.db2.gz CFQMIQAPIBFDFJ-UHFFFAOYSA-N 0 0 405.454 5.420 50 0 HKAARN Cc1ccc(-c2coc(-c3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 ZINC000015869114 558759745 /nfs/dbraw/zinc/75/97/45/558759745.db2.gz YFLFOLDXDQTLRY-UHFFFAOYSA-N 0 0 403.869 6.614 50 0 HKAARN CC(C)CC(=O)Nc1ccccc1Sc1nc(Cl)nn1CCc1ccccc1 ZINC000015869121 558759740 /nfs/dbraw/zinc/75/97/40/558759740.db2.gz LRXDYAQPRIAMNZ-UHFFFAOYSA-N 0 0 414.962 5.310 50 0 HKAARN CCCC(=O)Nc1ccccc1Sc1nc(Cl)nn1CCc1ccccc1 ZINC000015869129 558759921 /nfs/dbraw/zinc/75/99/21/558759921.db2.gz RHGKUVJHQVBLCO-UHFFFAOYSA-N 0 0 400.935 5.064 50 0 HKAARN CCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000015869160 558759957 /nfs/dbraw/zinc/75/99/57/558759957.db2.gz LSNSICNDHQOQNZ-UHFFFAOYSA-N 0 0 419.506 5.157 50 0 HKAARN Cc1cc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc2n1 ZINC000015869263 558760194 /nfs/dbraw/zinc/76/01/94/558760194.db2.gz 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Cc1ccc(Cc2nnc(-c3cc(NC(=O)Nc4ccc(F)cc4)ccc3F)o2)cc1 ZINC000015869318 558760214 /nfs/dbraw/zinc/76/02/14/558760214.db2.gz QQKDXKFYZOKVEA-UHFFFAOYSA-N 0 0 420.419 5.558 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000015869335 558760162 /nfs/dbraw/zinc/76/01/62/558760162.db2.gz APJNDTNCMGSVTO-UHFFFAOYSA-N 0 0 415.518 5.030 50 0 HKAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)nc2c1 ZINC000015870699 569017407 /nfs/dbraw/zinc/01/74/07/569017407.db2.gz SLUYKBQEKYMKLF-UHFFFAOYSA-N 0 0 419.550 5.074 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000015870707 569017439 /nfs/dbraw/zinc/01/74/39/569017439.db2.gz MJZIQKUMEBUKMI-UHFFFAOYSA-N 0 0 419.550 5.020 50 0 HKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(CCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000015870721 569017449 /nfs/dbraw/zinc/01/74/49/569017449.db2.gz AZXKRYBYYMXGCF-UHFFFAOYSA-N 0 0 419.550 5.020 50 0 HKAARN CCCn1c(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc2ccccc21 ZINC000015870736 569017421 /nfs/dbraw/zinc/01/74/21/569017421.db2.gz KVCCVCRDEIJGTR-UHFFFAOYSA-N 0 0 419.550 5.032 50 0 HKAARN CCCc1ccc(-c2nn(-c3ccccc3)cc2Nc2ncc(Cl)cc2Cl)cc1 ZINC000015879670 569017951 /nfs/dbraw/zinc/01/79/51/569017951.db2.gz ZHGLYLKLESIHQY-UHFFFAOYSA-N 0 0 423.347 6.937 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880214 569017980 /nfs/dbraw/zinc/01/79/80/569017980.db2.gz LFKLRRHEIXMNIK-UHFFFAOYSA-N 0 0 421.566 5.133 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000015880220 569017976 /nfs/dbraw/zinc/01/79/76/569017976.db2.gz OJBXWLXYJMOELU-UHFFFAOYSA-N 0 0 421.566 5.133 50 0 HKAARN CCSc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000015880247 569018014 /nfs/dbraw/zinc/01/80/14/569018014.db2.gz HEFRAIGNVMYYKS-UHFFFAOYSA-N 0 0 409.580 5.066 50 0 HKAARN CCSc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880249 569017992 /nfs/dbraw/zinc/01/79/92/569017992.db2.gz ATNMXAOLLKYHNZ-UHFFFAOYSA-N 0 0 409.580 5.066 50 0 HKAARN CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880253 569017997 /nfs/dbraw/zinc/01/79/97/569017997.db2.gz OMWLDBJVASLDGB-UHFFFAOYSA-N 0 0 423.607 5.454 50 0 HKAARN CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000015880255 569017988 /nfs/dbraw/zinc/01/79/88/569017988.db2.gz AEOPADFDPZJRGE-UHFFFAOYSA-N 0 0 423.607 5.454 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015880445 569018219 /nfs/dbraw/zinc/01/82/19/569018219.db2.gz MYSYZPJCLPHUBV-UHFFFAOYSA-N 0 0 407.853 6.023 50 0 HKAARN CCc1ccccc1NC(=O)c1c2cc(OC)ccc2oc1-c1ccc(OC)cc1 ZINC000015880456 569018239 /nfs/dbraw/zinc/01/82/39/569018239.db2.gz XRAJBYJRZPQAEL-UHFFFAOYSA-N 0 0 401.462 5.932 50 0 HKAARN CCc1ccc(NC(=O)c2c3cc(OC)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000015880461 569018167 /nfs/dbraw/zinc/01/81/67/569018167.db2.gz QZEBXEHHDWAHBB-UHFFFAOYSA-N 0 0 401.462 5.932 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2Cl)cc1 ZINC000015880472 569018213 /nfs/dbraw/zinc/01/82/13/569018213.db2.gz HQKHWMYHSTUDIN-UHFFFAOYSA-N 0 0 407.853 6.023 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000015880477 569018175 /nfs/dbraw/zinc/01/81/75/569018175.db2.gz UUBWFIHBHJPVLG-UHFFFAOYSA-N 0 0 401.462 5.986 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015880480 569018235 /nfs/dbraw/zinc/01/82/35/569018235.db2.gz PLQGSYBWUZEWIM-UHFFFAOYSA-N 0 0 421.880 6.331 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000015880484 569018183 /nfs/dbraw/zinc/01/81/83/569018183.db2.gz RBNXPZDYIQSFRT-UHFFFAOYSA-N 0 0 415.445 5.572 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(C)c2C)cc1 ZINC000015880489 569018254 /nfs/dbraw/zinc/01/82/54/569018254.db2.gz BWBHGAQEXCCLOX-UHFFFAOYSA-N 0 0 401.462 5.986 50 0 HKAARN COc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)c(OC)c1 ZINC000015880491 569018288 /nfs/dbraw/zinc/01/82/88/569018288.db2.gz QXFOSEGINTYMRL-UHFFFAOYSA-N 0 0 417.461 5.590 50 0 HKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 ZINC000015880492 569018284 /nfs/dbraw/zinc/01/82/84/569018284.db2.gz KVZUTCRWGQXIET-UHFFFAOYSA-N 0 0 417.461 5.768 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(OC)c2)cc1 ZINC000015880500 569018299 /nfs/dbraw/zinc/01/82/99/569018299.db2.gz GQLCGMIWZJMVQE-UHFFFAOYSA-N 0 0 403.434 5.378 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000015880505 569018270 /nfs/dbraw/zinc/01/82/70/569018270.db2.gz IYZAZELLHMADKA-UHFFFAOYSA-N 0 0 415.445 5.359 50 0 HKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCCc2ccccc2)cc1 ZINC000015880518 569018262 /nfs/dbraw/zinc/01/82/62/569018262.db2.gz CDUAPFLQSBTRSV-UHFFFAOYSA-N 0 0 401.462 5.090 50 0 biogenic HKAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000015880562 569018266 /nfs/dbraw/zinc/01/82/66/569018266.db2.gz LVNUSGMBHFJERA-UHFFFAOYSA-N 0 0 408.527 5.311 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000015880579 569018253 /nfs/dbraw/zinc/01/82/53/569018253.db2.gz OQTCIWBACXSQMW-UHFFFAOYSA-N 0 0 421.309 5.275 50 0 HKAARN CCc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880635 569018269 /nfs/dbraw/zinc/01/82/69/569018269.db2.gz KNDAHWGMYASSCV-UHFFFAOYSA-N 0 0 414.918 5.184 50 0 HKAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000015880636 569018310 /nfs/dbraw/zinc/01/83/10/569018310.db2.gz NLVQZSPMZLDHMZ-UHFFFAOYSA-N 0 0 414.918 5.184 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 ZINC000015880641 569018353 /nfs/dbraw/zinc/01/83/53/569018353.db2.gz VJWJJULFMVPPBE-UHFFFAOYSA-N 0 0 421.309 5.275 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1 ZINC000015880642 569018317 /nfs/dbraw/zinc/01/83/17/569018317.db2.gz VMLJJHSCEZSCHU-UHFFFAOYSA-N 0 0 421.309 5.275 50 0 HKAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1C ZINC000015880657 569018344 /nfs/dbraw/zinc/01/83/44/569018344.db2.gz SLTVEWWMTWUBIM-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c(C)c1 ZINC000015880658 569018302 /nfs/dbraw/zinc/01/83/02/569018302.db2.gz ZNILISGOTIOAEI-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1C ZINC000015880659 569018311 /nfs/dbraw/zinc/01/83/11/569018311.db2.gz BUNFKZNRFIELED-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000015880660 569018308 /nfs/dbraw/zinc/01/83/08/569018308.db2.gz GYSIGYDJUAHOHE-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN CCc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880695 569017975 /nfs/dbraw/zinc/01/79/75/569017975.db2.gz UKGHMLZXPYYFEM-UHFFFAOYSA-N 0 0 414.918 5.184 50 0 HKAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880696 569017964 /nfs/dbraw/zinc/01/79/64/569017964.db2.gz GYRYGCRLNUETMV-UHFFFAOYSA-N 0 0 414.918 5.184 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(Cl)cc1 ZINC000015880701 569017954 /nfs/dbraw/zinc/01/79/54/569017954.db2.gz QGZAKWNHBVDLHD-UHFFFAOYSA-N 0 0 421.309 5.275 50 0 HKAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1C ZINC000015880714 569017984 /nfs/dbraw/zinc/01/79/84/569017984.db2.gz WKXIYSYNAAIYLN-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1 ZINC000015880715 569018022 /nfs/dbraw/zinc/01/80/22/569018022.db2.gz PHUXYZUPDYDQJL-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000015880716 569017985 /nfs/dbraw/zinc/01/79/85/569017985.db2.gz CGOBXMJAVVQEIJ-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1C ZINC000015880717 569018020 /nfs/dbraw/zinc/01/80/20/569018020.db2.gz LBBMYCLITKOJQV-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880718 569017987 /nfs/dbraw/zinc/01/79/87/569017987.db2.gz MJMOELMMZHFIDX-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000015880719 569017962 /nfs/dbraw/zinc/01/79/62/569017962.db2.gz KVOUJTHZAXDQHC-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN CCCCN(CCCC)C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881091 569018707 /nfs/dbraw/zinc/01/87/07/569018707.db2.gz VQMORHCHDYJVMS-UHFFFAOYSA-N 0 0 409.570 6.022 50 0 HKAARN CC(C)CN(CC(C)C)C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881092 569018673 /nfs/dbraw/zinc/01/86/73/569018673.db2.gz ZJSSLVOKHBRWBX-UHFFFAOYSA-N 0 0 409.570 5.733 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccccc4Cl)cc3)c2O1 ZINC000015881117 569018705 /nfs/dbraw/zinc/01/87/05/569018705.db2.gz GVKPCXRXKGWIQV-UHFFFAOYSA-N 0 0 421.924 5.563 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881120 569018666 /nfs/dbraw/zinc/01/86/66/569018666.db2.gz ZYKPAXJXZOEOPG-UHFFFAOYSA-N 0 0 401.506 5.218 50 0 HKAARN C[C@@H](NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1)c1ccccc1 ZINC000015881121 569018659 /nfs/dbraw/zinc/01/86/59/569018659.db2.gz PJFACTMKSYBEAS-GOSISDBHSA-N 0 0 401.506 5.470 50 0 HKAARN C[C@H](NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1)c1ccccc1 ZINC000015881122 569018648 /nfs/dbraw/zinc/01/86/48/569018648.db2.gz PJFACTMKSYBEAS-SFHVURJKSA-N 0 0 401.506 5.470 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2O1 ZINC000015881123 569018680 /nfs/dbraw/zinc/01/86/80/569018680.db2.gz QMOGLXINWQXYEL-UHFFFAOYSA-N 0 0 421.924 5.563 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCCc4ccccc4)cc3)c2O1 ZINC000015881124 569018658 /nfs/dbraw/zinc/01/86/58/569018658.db2.gz KNPHJQJMPCFEMK-UHFFFAOYSA-N 0 0 415.533 5.342 50 0 HKAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881126 569018679 /nfs/dbraw/zinc/01/86/79/569018679.db2.gz BGJJFFVWFJMINW-GOSISDBHSA-N 0 0 413.517 5.571 50 0 HKAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881127 569018349 /nfs/dbraw/zinc/01/83/49/569018349.db2.gz BGJJFFVWFJMINW-SFHVURJKSA-N 0 0 413.517 5.571 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CCCc5ccccc54)cc3)c2O1 ZINC000015881128 569018301 /nfs/dbraw/zinc/01/83/01/569018301.db2.gz HKPLDAVOLQQTEU-UHFFFAOYSA-N 0 0 413.517 5.572 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881133 569018314 /nfs/dbraw/zinc/01/83/14/569018314.db2.gz FHPQDQKWMIDDJQ-UHFFFAOYSA-N 0 0 401.506 5.794 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881134 569018320 /nfs/dbraw/zinc/01/83/20/569018320.db2.gz BBGKPEWTIZPBCV-UHFFFAOYSA-N 0 0 401.506 5.794 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881135 569018336 /nfs/dbraw/zinc/01/83/36/569018336.db2.gz HXTGOWLFGFFLFO-UHFFFAOYSA-N 0 0 415.533 6.355 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4Cl)cc3)c2O1 ZINC000015881138 569018346 /nfs/dbraw/zinc/01/83/46/569018346.db2.gz OCIRPFXOYISJLL-UHFFFAOYSA-N 0 0 407.897 5.885 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)c2O1 ZINC000015881139 569018303 /nfs/dbraw/zinc/01/83/03/569018303.db2.gz SFBBQMZHPUONAF-UHFFFAOYSA-N 0 0 407.897 5.885 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)c2O1 ZINC000015881140 569018318 /nfs/dbraw/zinc/01/83/18/569018318.db2.gz WQDQOWVXQPECBE-UHFFFAOYSA-N 0 0 407.897 5.885 50 0 HKAARN COc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000015881145 569018332 /nfs/dbraw/zinc/01/83/32/569018332.db2.gz LESLYIQOTVWZSS-UHFFFAOYSA-N 0 0 403.478 5.240 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881146 569018342 /nfs/dbraw/zinc/01/83/42/569018342.db2.gz GPHZFWMYLFSYDX-UHFFFAOYSA-N 0 0 403.478 5.240 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881147 569018328 /nfs/dbraw/zinc/01/83/28/569018328.db2.gz ZWULXCOPZYOLDK-UHFFFAOYSA-N 0 0 417.505 5.630 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881148 569018300 /nfs/dbraw/zinc/01/83/00/569018300.db2.gz MNWAGBOMDCAHMR-UHFFFAOYSA-N 0 0 417.505 5.630 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881149 569018337 /nfs/dbraw/zinc/01/83/37/569018337.db2.gz RWNGRCTWFZVFMY-UHFFFAOYSA-N 0 0 419.546 5.953 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881150 569018312 /nfs/dbraw/zinc/01/83/12/569018312.db2.gz XQGYDHKDDDXMRL-UHFFFAOYSA-N 0 0 415.489 5.434 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000015881151 569018331 /nfs/dbraw/zinc/01/83/31/569018331.db2.gz FNJMBNOZKRNOBW-UHFFFAOYSA-N 0 0 415.489 5.434 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc5ccccc54)cc3)c2O1 ZINC000015881156 569018306 /nfs/dbraw/zinc/01/83/06/569018306.db2.gz YARMQUCVSABACT-UHFFFAOYSA-N 0 0 423.512 6.385 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)cc4F)cc3)c2O1 ZINC000015881161 569018340 /nfs/dbraw/zinc/01/83/40/569018340.db2.gz NVUHBZYYKSXOMV-UHFFFAOYSA-N 0 0 409.432 5.510 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)c2O1 ZINC000015881162 569018329 /nfs/dbraw/zinc/01/83/29/569018329.db2.gz JNIALEKMXLPOND-UHFFFAOYSA-N 0 0 409.432 5.510 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(F)ccc4F)cc3)c2O1 ZINC000015881163 569018326 /nfs/dbraw/zinc/01/83/26/569018326.db2.gz JCUMBSVJQAZTLZ-UHFFFAOYSA-N 0 0 409.432 5.510 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1C ZINC000015881166 569018348 /nfs/dbraw/zinc/01/83/48/569018348.db2.gz VJNLKUXZAHCHPA-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(C)c1 ZINC000015881167 569018338 /nfs/dbraw/zinc/01/83/38/569018338.db2.gz GNRJYAKOCILSMV-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000015881168 569018327 /nfs/dbraw/zinc/01/83/27/569018327.db2.gz KKJLUTIAYVHFSS-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C ZINC000015881169 569018319 /nfs/dbraw/zinc/01/83/19/569018319.db2.gz WUSIRAUYIQCNSN-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881170 569018334 /nfs/dbraw/zinc/01/83/34/569018334.db2.gz JSBFUOOUMSKDPA-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000015881171 569018309 /nfs/dbraw/zinc/01/83/09/569018309.db2.gz AIIHYKONEDGWQJ-UHFFFAOYSA-N 0 0 401.506 5.848 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881174 569018350 /nfs/dbraw/zinc/01/83/50/569018350.db2.gz IRBIUFXHGKKIEX-UHFFFAOYSA-N 0 0 421.924 6.193 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881175 569018341 /nfs/dbraw/zinc/01/83/41/569018341.db2.gz YERAWWIPJXNERT-UHFFFAOYSA-N 0 0 421.924 6.193 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1Cl ZINC000015881176 569018321 /nfs/dbraw/zinc/01/83/21/569018321.db2.gz ABMGTJZKAZYGGK-UHFFFAOYSA-N 0 0 421.924 6.193 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1F ZINC000015881177 569018330 /nfs/dbraw/zinc/01/83/30/569018330.db2.gz IQAKDHXUISRNEW-UHFFFAOYSA-N 0 0 405.469 5.679 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(Cl)ccc4O)cc3)c2O1 ZINC000015881179 569018315 /nfs/dbraw/zinc/01/83/15/569018315.db2.gz FGAMEWVVLLPQKH-UHFFFAOYSA-N 0 0 423.896 5.590 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881186 569018430 /nfs/dbraw/zinc/01/84/30/569018430.db2.gz OFJFDUYFHLSRFT-UHFFFAOYSA-N 0 0 417.505 5.548 50 0 HKAARN Cc1cc(C)c(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(C)c1 ZINC000015881189 569018393 /nfs/dbraw/zinc/01/83/93/569018393.db2.gz NRDQZDFVOKJCTB-UHFFFAOYSA-N 0 0 415.533 6.157 50 0 HKAARN COc1cc(C)ccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881192 569018378 /nfs/dbraw/zinc/01/83/78/569018378.db2.gz WNLSCLJAWDCXCI-UHFFFAOYSA-N 0 0 417.505 5.548 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C ZINC000015881193 569018433 /nfs/dbraw/zinc/01/84/33/569018433.db2.gz FVTYGPZNEVZHBC-UHFFFAOYSA-N 0 0 417.505 5.548 50 0 HKAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000015881422 569018494 /nfs/dbraw/zinc/01/84/94/569018494.db2.gz GXMVTEYAKMOMHQ-UHFFFAOYSA-N 0 0 415.280 5.199 50 0 HKAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2c(C)cc(C)cc2C)o1 ZINC000015881438 569018488 /nfs/dbraw/zinc/01/84/88/569018488.db2.gz PPFJDOPKHLNZEL-UHFFFAOYSA-N 0 0 402.498 5.208 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1Cl ZINC000015881544 569018525 /nfs/dbraw/zinc/01/85/25/569018525.db2.gz DVDBVNQSYHHUFZ-UHFFFAOYSA-N 0 0 408.889 5.415 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000015881545 569018542 /nfs/dbraw/zinc/01/85/42/569018542.db2.gz KTVYCLBAOYCTBA-UHFFFAOYSA-N 0 0 424.888 5.115 50 0 HKAARN Cc1cccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c1C ZINC000015881558 569018572 /nfs/dbraw/zinc/01/85/72/569018572.db2.gz PTPDJBHMWCZTNK-UHFFFAOYSA-N 0 0 402.498 5.145 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c(C)c1 ZINC000015881559 569018558 /nfs/dbraw/zinc/01/85/58/569018558.db2.gz RXXYUPAYZCLZFD-UHFFFAOYSA-N 0 0 402.498 5.145 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c1 ZINC000015881560 569018535 /nfs/dbraw/zinc/01/85/35/569018535.db2.gz JTTXFKGHMGHOGR-UHFFFAOYSA-N 0 0 402.498 5.145 50 0 HKAARN Cc1cc(C)c(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c(C)c1 ZINC000015881561 569018628 /nfs/dbraw/zinc/01/86/28/569018628.db2.gz GEMXOWKHFUJJAD-UHFFFAOYSA-N 0 0 416.525 5.454 50 0 HKAARN CCc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 ZINC000015881562 569018610 /nfs/dbraw/zinc/01/86/10/569018610.db2.gz VYDUPWQRARWDSL-UHFFFAOYSA-N 0 0 402.498 5.091 50 0 HKAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000015881590 569018345 /nfs/dbraw/zinc/01/83/45/569018345.db2.gz NZWMFIPCDSOUDE-UHFFFAOYSA-N 0 0 408.889 5.182 50 0 HKAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000015881591 569018457 /nfs/dbraw/zinc/01/84/57/569018457.db2.gz UEJQNACWJRRYEL-UHFFFAOYSA-N 0 0 408.889 5.182 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1Cl ZINC000015881594 569018746 /nfs/dbraw/zinc/01/87/46/569018746.db2.gz DLDBBZRPDKMYCZ-UHFFFAOYSA-N 0 0 422.916 5.490 50 0 HKAARN O=C(c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000015881813 569018874 /nfs/dbraw/zinc/01/88/74/569018874.db2.gz SUUOULGPESURKW-UHFFFAOYSA-N 0 0 421.881 5.531 50 0 HKAARN O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000015881814 569018893 /nfs/dbraw/zinc/01/88/93/569018893.db2.gz UKCFSQWOMUHRLQ-AATRIKPKSA-N 0 0 413.474 5.278 50 0 HKAARN Cc1c(CCNC(=O)c2ccc(C)c(C)c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882114 569019050 /nfs/dbraw/zinc/01/90/50/569019050.db2.gz GCLGJZPEQXDPQF-UHFFFAOYSA-N 0 0 424.957 5.009 50 0 HKAARN Cc1c(CCNC(=O)c2cc(C)cc(C)c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882115 569019005 /nfs/dbraw/zinc/01/90/05/569019005.db2.gz MXEIRFCDBVKSHK-UHFFFAOYSA-N 0 0 424.957 5.009 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1c(F)cccc1Cl ZINC000015882486 569019053 /nfs/dbraw/zinc/01/90/53/569019053.db2.gz NVMKOMVKYAMIQJ-UHFFFAOYSA-N 0 0 421.859 5.047 50 0 HKAARN CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000015882500 569019126 /nfs/dbraw/zinc/01/91/26/569019126.db2.gz RAKCGLZSEDHZQR-UHFFFAOYSA-N 0 0 404.560 6.636 50 0 HKAARN CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000015882501 569019124 /nfs/dbraw/zinc/01/91/24/569019124.db2.gz USWKGPRRGRTXAG-UHFFFAOYSA-N 0 0 406.532 6.033 50 0 HKAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000015882510 569019143 /nfs/dbraw/zinc/01/91/43/569019143.db2.gz VTYPDKXFICZUHD-UHFFFAOYSA-N 0 0 422.531 5.009 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000015882823 569019234 /nfs/dbraw/zinc/01/92/34/569019234.db2.gz MOVIWQNKRLGUJB-UHFFFAOYSA-N 0 0 414.427 5.291 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882856 569019204 /nfs/dbraw/zinc/01/92/04/569019204.db2.gz PAWRRLZYYVFFIE-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN Cc1cccc(Cn2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2=O)c1 ZINC000015883092 569019293 /nfs/dbraw/zinc/01/92/93/569019293.db2.gz AJWCSYZWOWWOLR-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000015883259 569019270 /nfs/dbraw/zinc/01/92/70/569019270.db2.gz CQYVAZODUHKINI-UHFFFAOYSA-N 0 0 414.427 5.291 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015883281 569019258 /nfs/dbraw/zinc/01/92/58/569019258.db2.gz GLDKKTCFJZYZPB-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1Cl ZINC000015883282 569019288 /nfs/dbraw/zinc/01/92/88/569019288.db2.gz OEHMBOZAYBLDSU-UHFFFAOYSA-N 0 0 420.818 5.130 50 0 HKAARN CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000015883302 569019253 /nfs/dbraw/zinc/01/92/53/569019253.db2.gz ZVMWOYZVWJXSCP-UHFFFAOYSA-N 0 0 411.505 5.040 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(SC(C)C)c4)cc3)sc2c1 ZINC000015883829 569019183 /nfs/dbraw/zinc/01/91/83/569019183.db2.gz YRSRFIZRZYMPSX-UHFFFAOYSA-N 0 0 418.587 7.025 50 0 HKAARN CC(C)Sc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000015883830 569019800 /nfs/dbraw/zinc/01/98/00/569019800.db2.gz JPYDDZJOMSLYEX-UHFFFAOYSA-N 0 0 404.560 6.716 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(SC(C)C)cc4)cc3)sc2c1 ZINC000015883831 569019771 /nfs/dbraw/zinc/01/97/71/569019771.db2.gz SLPVEZMXNVWAFT-UHFFFAOYSA-N 0 0 418.587 7.025 50 0 HKAARN CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000015883832 569019764 /nfs/dbraw/zinc/01/97/64/569019764.db2.gz AGKHVZCEEDTIHD-UHFFFAOYSA-N 0 0 404.560 6.716 50 0 HKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1 ZINC000015885445 569019770 /nfs/dbraw/zinc/01/97/70/569019770.db2.gz FHSRVRIFTXJVTF-UHFFFAOYSA-N 0 0 414.701 5.183 50 0 HKAARN COc1ccc([C@H]2C[C@@]23CCC[C@]2(C[C@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 ZINC000015885480 569019796 /nfs/dbraw/zinc/01/97/96/569019796.db2.gz NLWKUVKXSDFLCE-IEODJRFGSA-N 0 0 422.521 5.122 50 0 biogenic HKAARN COc1ccc([C@H]2C[C@]23CCC[C@@]2(C[C@@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 ZINC000015885481 569019762 /nfs/dbraw/zinc/01/97/62/569019762.db2.gz NLWKUVKXSDFLCE-ZEZQGNGESA-N 0 0 422.521 5.122 50 0 biogenic HKAARN COc1ccc([C@@H]2C[C@]23CCC[C@@]2(C[C@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 ZINC000015885483 569019810 /nfs/dbraw/zinc/01/98/10/569019810.db2.gz NLWKUVKXSDFLCE-KZHJIPFUSA-N 0 0 422.521 5.122 50 0 biogenic HKAARN O=C(Nc1nc2ccccc2s1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000015905864 569020630 /nfs/dbraw/zinc/02/06/30/569020630.db2.gz GFZRUUYNEPEPQC-NBVRZTHBSA-N 0 0 422.456 6.077 50 0 HKAARN COc1cccc2sc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)nc21 ZINC000015906083 558761499 /nfs/dbraw/zinc/76/14/99/558761499.db2.gz JRYNSUSPUOUJMX-UHFFFAOYSA-N 0 0 420.519 5.266 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 ZINC000015906174 569020607 /nfs/dbraw/zinc/02/06/07/569020607.db2.gz IZYNVHGCIOCYJS-TWTJARBPSA-N 0 0 419.933 6.426 50 0 HKAARN CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2)cc1 ZINC000015906192 569020597 /nfs/dbraw/zinc/02/05/97/569020597.db2.gz IRXPWPJDQDPAQU-WZELYZJASA-N 0 0 415.514 6.493 50 0 HKAARN Cc1ccc(NC2=N[C@@](c3ccccc3)(C(F)(F)F)Oc3cc(C(C)C)ccc32)cc1 ZINC000015906385 569020615 /nfs/dbraw/zinc/02/06/15/569020615.db2.gz FKVLZXUFARXBMD-XMMPIXPASA-N 0 0 424.466 6.785 50 0 HKAARN Cc1ccc(NC2=N[C@](c3ccccc3)(C(F)(F)F)Oc3cc(C(C)C)ccc32)cc1 ZINC000015906386 569020601 /nfs/dbraw/zinc/02/06/01/569020601.db2.gz FKVLZXUFARXBMD-DEOSSOPVSA-N 0 0 424.466 6.785 50 0 HKAARN Cc1[nH]c2ccccc2c1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000015906468 558761695 /nfs/dbraw/zinc/76/16/95/558761695.db2.gz LULQZQRKGMMOSV-UHFFFAOYSA-N 0 0 423.566 7.285 50 0 HKAARN CN1CCN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000015906588 569020538 /nfs/dbraw/zinc/02/05/38/569020538.db2.gz DFHLWTZISUGNQT-ISPAOBMBSA-N 0 0 421.308 5.987 50 0 HKAARN O=C(Oc1cc2sc(=O)oc2c(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000015906663 558761698 /nfs/dbraw/zinc/76/16/98/558761698.db2.gz CCKVMQKYPWCLMH-UHFFFAOYSA-N 0 0 416.376 5.760 50 0 HKAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)s1 ZINC000015910698 558761706 /nfs/dbraw/zinc/76/17/06/558761706.db2.gz HAJICYRERXJDBW-UHFFFAOYSA-N 0 0 422.531 5.437 50 0 HKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2c[nH]c3ccccc32)cc1 ZINC000015910880 558761735 /nfs/dbraw/zinc/76/17/35/558761735.db2.gz BHVGLOJSJBFFEM-UHFFFAOYSA-N 0 0 413.502 5.490 50 0 HKAARN Cc1ccc(SCc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)c(C)c1 ZINC000015911734 558761701 /nfs/dbraw/zinc/76/17/01/558761701.db2.gz HMQMFUUTTIEJSJ-UHFFFAOYSA-N 0 0 402.519 5.195 50 0 HKAARN COC(=O)c1ccc(CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000015911740 558761731 /nfs/dbraw/zinc/76/17/31/558761731.db2.gz BJHQWZHHTBRYRQ-UHFFFAOYSA-N 0 0 402.519 5.358 50 0 HKAARN COc1ccc(-n2c(COc3ccccc3-c3ccccc3)nc3ccccc32)cc1 ZINC000015913210 558761863 /nfs/dbraw/zinc/76/18/63/558761863.db2.gz RAQXESOIIDTXKO-UHFFFAOYSA-N 0 0 406.485 6.280 50 0 HKAARN COc1ccc(-n2c(COc3cccc4c3OC(C)(C)C4)nc3ccccc32)cc1 ZINC000015913252 558761853 /nfs/dbraw/zinc/76/18/53/558761853.db2.gz NPHLBYYSPQJWCS-UHFFFAOYSA-N 0 0 400.478 5.327 50 0 HKAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1CCc1ccccc1 ZINC000015913470 569020968 /nfs/dbraw/zinc/02/09/68/569020968.db2.gz LDNZIOFAAXYAMF-UHFFFAOYSA-N 0 0 416.546 5.783 50 0 HKAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000015913615 568455064 /nfs/dbraw/zinc/45/50/64/568455064.db2.gz LVYYZJZPYGSPDC-BOPFTXTBSA-N 0 0 412.214 5.193 50 0 HKAARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccc(Cl)c1 ZINC000015913913 558761918 /nfs/dbraw/zinc/76/19/18/558761918.db2.gz AKRGLYJPIWIKCV-UHFFFAOYSA-N 0 0 421.305 5.047 50 0 HKAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000015922089 558762195 /nfs/dbraw/zinc/76/21/95/558762195.db2.gz QVMXXOVSZXNWPX-GOSISDBHSA-N 0 0 417.509 5.152 50 0 HKAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)cc1 ZINC000015922090 558762198 /nfs/dbraw/zinc/76/21/98/558762198.db2.gz QVMXXOVSZXNWPX-SFHVURJKSA-N 0 0 417.509 5.152 50 0 HKAARN CC[C@@H](C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000015922091 558762193 /nfs/dbraw/zinc/76/21/93/558762193.db2.gz ZONNFLNYWUXJJS-GOSISDBHSA-N 0 0 417.509 5.152 50 0 HKAARN CC[C@H](C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000015922092 558762179 /nfs/dbraw/zinc/76/21/79/558762179.db2.gz ZONNFLNYWUXJJS-SFHVURJKSA-N 0 0 417.509 5.152 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000015922417 558762143 /nfs/dbraw/zinc/76/21/43/558762143.db2.gz QYAZPZSJUGNPES-XXBNENTESA-N 0 0 404.853 5.311 50 0 HKAARN C/C(C=NNC(=O)CCC(=O)Nc1cccc(Cl)c1)=C/c1ccc(C(C)C)cc1 ZINC000015931108 569357194 /nfs/dbraw/zinc/35/71/94/569357194.db2.gz JAKATPLCBOMBCG-GWBGUFDXSA-N 0 0 411.933 5.388 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000015931360 558762776 /nfs/dbraw/zinc/76/27/76/558762776.db2.gz LTVBVXFCTASROC-FAJYDZGRSA-N 0 0 422.406 6.245 50 0 HKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000015931523 558762708 /nfs/dbraw/zinc/76/27/08/558762708.db2.gz VFEPDXBSAUMFRV-UHFFFAOYSA-N 0 0 423.406 5.114 50 0 HKAARN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000015932113 569022984 /nfs/dbraw/zinc/02/29/84/569022984.db2.gz SBIAMBCAQFIXRW-RQZCQDPDSA-N 0 0 423.321 5.110 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc3ccccc31)O2 ZINC000015932193 569029764 /nfs/dbraw/zinc/02/97/64/569029764.db2.gz QPBNRMNSCNIJEN-RSXGOPAZSA-N 0 0 410.904 6.736 50 0 HKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000015941060 559064201 /nfs/dbraw/zinc/06/42/01/559064201.db2.gz ZBHJTMPYKOHENG-UHFFFAOYSA-N 0 0 416.484 5.535 50 0 HKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015945369 558763471 /nfs/dbraw/zinc/76/34/71/558763471.db2.gz RRZIGBJACPPHGS-QGHHPUGFSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015945371 558763428 /nfs/dbraw/zinc/76/34/28/558763428.db2.gz RRZIGBJACPPHGS-BTDLBPIBSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015945373 558763468 /nfs/dbraw/zinc/76/34/68/558763468.db2.gz RRZIGBJACPPHGS-BMLIUANNSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015945375 558763481 /nfs/dbraw/zinc/76/34/81/558763481.db2.gz RRZIGBJACPPHGS-DYZYQPBXSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000015945433 558763503 /nfs/dbraw/zinc/76/35/03/558763503.db2.gz NUIBQEYNEPGFHC-QGHHPUGFSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000015945435 558763521 /nfs/dbraw/zinc/76/35/21/558763521.db2.gz NUIBQEYNEPGFHC-BTDLBPIBSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000015945437 558763386 /nfs/dbraw/zinc/76/33/86/558763386.db2.gz NUIBQEYNEPGFHC-BMLIUANNSA-N 0 0 421.360 5.463 50 0 HKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000015945439 558763512 /nfs/dbraw/zinc/76/35/12/558763512.db2.gz NUIBQEYNEPGFHC-DYZYQPBXSA-N 0 0 421.360 5.463 50 0 HKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947622 558763737 /nfs/dbraw/zinc/76/37/37/558763737.db2.gz JBIPRTMVXJKSAM-BLVKFPJESA-N 0 0 424.547 5.583 50 0 HKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947624 558763707 /nfs/dbraw/zinc/76/37/07/558763707.db2.gz JBIPRTMVXJKSAM-BUXKBTBVSA-N 0 0 424.547 5.583 50 0 HKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947627 558763719 /nfs/dbraw/zinc/76/37/19/558763719.db2.gz JBIPRTMVXJKSAM-CWTRNNRKSA-N 0 0 424.547 5.583 50 0 HKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000015947629 558763746 /nfs/dbraw/zinc/76/37/46/558763746.db2.gz JBIPRTMVXJKSAM-HXPMCKFVSA-N 0 0 424.547 5.583 50 0 HKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947647 558763730 /nfs/dbraw/zinc/76/37/30/558763730.db2.gz VBNCUZIHZUJHJH-BLVKFPJESA-N 0 0 424.547 5.583 50 0 HKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947649 558763693 /nfs/dbraw/zinc/76/36/93/558763693.db2.gz VBNCUZIHZUJHJH-BUXKBTBVSA-N 0 0 424.547 5.583 50 0 HKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947651 558763688 /nfs/dbraw/zinc/76/36/88/558763688.db2.gz VBNCUZIHZUJHJH-CWTRNNRKSA-N 0 0 424.547 5.583 50 0 HKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947653 558763739 /nfs/dbraw/zinc/76/37/39/558763739.db2.gz VBNCUZIHZUJHJH-HXPMCKFVSA-N 0 0 424.547 5.583 50 0 HKAARN CCOc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000015947686 558763753 /nfs/dbraw/zinc/76/37/53/558763753.db2.gz JHKXLDHGOQRRPD-BTDLBPIBSA-N 0 0 421.360 5.463 50 0 HKAARN CCOc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000015947688 558763755 /nfs/dbraw/zinc/76/37/55/558763755.db2.gz JHKXLDHGOQRRPD-DYZYQPBXSA-N 0 0 421.360 5.463 50 0 HKAARN CCOc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000015947690 558763765 /nfs/dbraw/zinc/76/37/65/558763765.db2.gz JHKXLDHGOQRRPD-QGHHPUGFSA-N 0 0 421.360 5.463 50 0 HKAARN CCOc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000015947692 558763724 /nfs/dbraw/zinc/76/37/24/558763724.db2.gz JHKXLDHGOQRRPD-BMLIUANNSA-N 0 0 421.360 5.463 50 0 HKAARN COc1cc(OC)c(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1Cl ZINC000015948990 569024484 /nfs/dbraw/zinc/02/44/84/569024484.db2.gz JNTJDYNVMKSCCD-UHFFFAOYSA-N 0 0 411.841 5.274 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000015951718 558763699 /nfs/dbraw/zinc/76/36/99/558763699.db2.gz HKVNRIVAXSLRMI-UHFFFAOYSA-N 0 0 422.569 5.136 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000015954663 569024562 /nfs/dbraw/zinc/02/45/62/569024562.db2.gz VXLZFOGJWKLCAK-CJAUYULYSA-N 0 0 420.940 5.322 50 0 biogenic HKAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000015954664 560650646 /nfs/dbraw/zinc/65/06/46/560650646.db2.gz VXLZFOGJWKLCAK-AVRWGWEMSA-N 0 0 420.940 5.322 50 0 biogenic HKAARN COc1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)cc1Cl ZINC000015970382 558764358 /nfs/dbraw/zinc/76/43/58/558764358.db2.gz QJEKINLDOWNBOA-UHFFFAOYSA-N 0 0 414.285 5.059 50 0 HKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000015973605 558764832 /nfs/dbraw/zinc/76/48/32/558764832.db2.gz LPUMHZIYGZOLBS-OAHLLOKOSA-N 0 0 411.955 5.627 50 0 HKAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc(-c2ccccc2)cc1 ZINC000015973742 558764914 /nfs/dbraw/zinc/76/49/14/558764914.db2.gz BGAKQXMOCSGVOW-UHFFFAOYSA-N 0 0 411.486 5.860 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000015974293 558764926 /nfs/dbraw/zinc/76/49/26/558764926.db2.gz CURFPPYRXGETPW-UHFFFAOYSA-N 0 0 423.428 5.012 50 0 HKAARN COc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000015974626 558764848 /nfs/dbraw/zinc/76/48/48/558764848.db2.gz VQMJNYZFUBUAIM-QFIPXVFZSA-N 0 0 413.502 5.227 50 0 aggregator HKAARN COc1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3s2)cc1 ZINC000015974627 558764894 /nfs/dbraw/zinc/76/48/94/558764894.db2.gz VQMJNYZFUBUAIM-JOCHJYFZSA-N 0 0 413.502 5.227 50 0 aggregator HKAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1 ZINC000015974788 558764896 /nfs/dbraw/zinc/76/48/96/558764896.db2.gz ZYOJAPHMMVSHNW-GOSISDBHSA-N 0 0 411.527 5.170 50 0 HKAARN CCCCSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000015975046 558764839 /nfs/dbraw/zinc/76/48/39/558764839.db2.gz CGOVICVGULLSKD-QGZVFWFLSA-N 0 0 416.547 5.252 50 0 HKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 ZINC000015975055 558764924 /nfs/dbraw/zinc/76/49/24/558764924.db2.gz JSJJGCWYVWOYIY-OAHLLOKOSA-N 0 0 411.955 5.627 50 0 HKAARN S=C(NNc1ccnc2cc(Cl)ccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000015978072 558765064 /nfs/dbraw/zinc/76/50/64/558765064.db2.gz WEOLDQPAFSXXKU-UHFFFAOYSA-N 0 0 420.925 5.994 50 0 HKAARN COc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 ZINC000015978687 558765144 /nfs/dbraw/zinc/76/51/44/558765144.db2.gz FTTWOVCJGJPGPB-HPNDGRJYSA-N 0 0 424.525 6.773 50 0 HKAARN COc1ccc(-c2csc(/C=C/c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC ZINC000015978831 569025255 /nfs/dbraw/zinc/02/52/55/569025255.db2.gz KZMRTWKPSHHBRW-GQCTYLIASA-N 0 0 413.367 5.693 50 0 HKAARN O=C(COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1cccc(Cl)c1 ZINC000015979540 558765034 /nfs/dbraw/zinc/76/50/34/558765034.db2.gz QQKHASNMQBBDTD-FLCJAFJVSA-N 0 0 423.940 5.360 50 0 HKAARN CCCn1c2ccccc2nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000015979645 569025296 /nfs/dbraw/zinc/02/52/96/569025296.db2.gz ZPCUVYLIBLPSRU-UHFFFAOYSA-N 0 0 413.631 6.032 50 0 HKAARN Cc1cc(SCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)nc2ccccc12 ZINC000015980292 558765027 /nfs/dbraw/zinc/76/50/27/558765027.db2.gz COJFKXGCUXUKPH-UHFFFAOYSA-N 0 0 422.553 6.677 50 0 HKAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000015980448 558765070 /nfs/dbraw/zinc/76/50/70/558765070.db2.gz RDMWTIYTSSMLMX-UHFFFAOYSA-N 0 0 403.507 5.073 50 0 HKAARN Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2)cc1C ZINC000015980689 569025302 /nfs/dbraw/zinc/02/53/02/569025302.db2.gz AESFLCNVUUYEIH-UHFFFAOYSA-N 0 0 411.548 5.110 50 0 HKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2cc3ccccc3o2)cc1 ZINC000015980747 558765052 /nfs/dbraw/zinc/76/50/52/558765052.db2.gz QNOPKXPFKLKPQJ-UHFFFAOYSA-N 0 0 414.486 5.755 50 0 HKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000015981711 569025308 /nfs/dbraw/zinc/02/53/08/569025308.db2.gz FNAUUANVULBQGI-UHFFFAOYSA-N 0 0 417.534 5.382 50 0 HKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000015981734 558765428 /nfs/dbraw/zinc/76/54/28/558765428.db2.gz YZVVHZMWWQHEQR-UHFFFAOYSA-N 0 0 417.534 5.382 50 0 HKAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000015981773 558765460 /nfs/dbraw/zinc/76/54/60/558765460.db2.gz HIQWSVFQOXEHLR-UHFFFAOYSA-N 0 0 403.507 5.073 50 0 HKAARN Cc1cccc(Oc2ccccc2NC(=O)CCCn2c3ccccc3oc2=O)c1 ZINC000015985131 558765392 /nfs/dbraw/zinc/76/53/92/558765392.db2.gz XRAMNGNOZJGYGM-UHFFFAOYSA-N 0 0 402.450 5.114 50 0 HKAARN 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Cc1nc(COc2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)cs1 ZINC000016110593 558772138 /nfs/dbraw/zinc/77/21/38/558772138.db2.gz YEDFFPZHITZUJQ-IBGZPJMESA-N 0 0 414.527 5.137 50 0 HKAARN O=C(OCc1ccco1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1Cl ZINC000016115068 558772436 /nfs/dbraw/zinc/77/24/36/558772436.db2.gz RVQBUXAFYCUCSB-UNOMPAQXSA-N 0 0 416.260 5.101 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1I ZINC000016115907 558772676 /nfs/dbraw/zinc/77/26/76/558772676.db2.gz NCJXEGCBDYTIBL-UHFFFAOYSA-N 0 0 413.214 5.443 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1)c1ccccc1 ZINC000016121813 558772928 /nfs/dbraw/zinc/77/29/28/558772928.db2.gz SFENWLVHVDXZET-PSWAGMNNSA-N 0 0 400.522 5.951 50 0 HKAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Br)ccc1Cl ZINC000016124905 558772884 /nfs/dbraw/zinc/77/28/84/558772884.db2.gz YOBMEMQNHQDULV-UHFFFAOYSA-N 0 0 406.704 5.779 50 0 HKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000016141789 569029403 /nfs/dbraw/zinc/02/94/03/569029403.db2.gz QKSWGVBTQNTXBF-IBGZPJMESA-N 0 0 403.906 5.123 50 0 HKAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000016141790 569029411 /nfs/dbraw/zinc/02/94/11/569029411.db2.gz QKSWGVBTQNTXBF-LJQANCHMSA-N 0 0 403.906 5.123 50 0 HKAARN COc1cccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 ZINC000016155626 569029494 /nfs/dbraw/zinc/02/94/94/569029494.db2.gz WFHAMMDDDXBEDL-OAQYLSRUSA-N 0 0 402.947 5.016 50 0 HKAARN COc1cccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1 ZINC000016155627 569029448 /nfs/dbraw/zinc/02/94/48/569029448.db2.gz WFHAMMDDDXBEDL-NRFANRHFSA-N 0 0 402.947 5.016 50 0 HKAARN CC(=O)c1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000016155632 558773807 /nfs/dbraw/zinc/77/38/07/558773807.db2.gz DKTJFYYXFGKWJV-JOCHJYFZSA-N 0 0 414.958 5.210 50 0 HKAARN CC(=O)c1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 ZINC000016155633 558773793 /nfs/dbraw/zinc/77/37/93/558773793.db2.gz DKTJFYYXFGKWJV-QFIPXVFZSA-N 0 0 414.958 5.210 50 0 HKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000016157427 558774108 /nfs/dbraw/zinc/77/41/08/558774108.db2.gz HPVCXFYJSQAWMJ-UHFFFAOYSA-N 0 0 424.953 5.957 50 0 HKAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016157640 558774078 /nfs/dbraw/zinc/77/40/78/558774078.db2.gz MSEOMCHWWYUHGC-DHZHZOJOSA-N 0 0 416.260 5.692 50 0 HKAARN Oc1ccccc1-c1csc(Nc2ccc(Br)cc2C(F)(F)F)n1 ZINC000016159232 558774224 /nfs/dbraw/zinc/77/42/24/558774224.db2.gz GIVAGUVPFSWAES-UHFFFAOYSA-N 0 0 415.234 6.041 50 0 HKAARN Cc1ccc(OCc2nc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000016160420 569029524 /nfs/dbraw/zinc/02/95/24/569029524.db2.gz CGMKJYZTOZGKRG-CQSZACIVSA-N 0 0 415.898 5.112 50 0 HKAARN Cc1ccc(OCc2nc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000016160421 569029551 /nfs/dbraw/zinc/02/95/51/569029551.db2.gz CGMKJYZTOZGKRG-AWEZNQCLSA-N 0 0 415.898 5.112 50 0 HKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)cc1 ZINC000016161548 558774588 /nfs/dbraw/zinc/77/45/88/558774588.db2.gz BJGXLIRPWHGFFC-UHFFFAOYSA-N 0 0 404.897 6.580 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000016161566 558774533 /nfs/dbraw/zinc/77/45/33/558774533.db2.gz YIIFZNAWORAQAC-UHFFFAOYSA-N 0 0 411.288 6.616 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000016162005 558774741 /nfs/dbraw/zinc/77/47/41/558774741.db2.gz RCOFPZBJXRPWKW-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000016162021 558774846 /nfs/dbraw/zinc/77/48/46/558774846.db2.gz NRFCYOPADNKCGS-UHFFFAOYSA-N 0 0 400.478 5.692 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000016162114 558774791 /nfs/dbraw/zinc/77/47/91/558774791.db2.gz WXWHRZRAGMOCIZ-UHFFFAOYSA-N 0 0 412.537 5.841 50 0 HKAARN CCc1ccc2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 ZINC000016162182 558774820 /nfs/dbraw/zinc/77/48/20/558774820.db2.gz VVKVBDWHJLROLX-UHFFFAOYSA-N 0 0 412.276 6.011 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(OC)cc4OC)c3)nc2c1 ZINC000016162216 558774779 /nfs/dbraw/zinc/77/47/79/558774779.db2.gz DZPRDHMTVLOYGF-UHFFFAOYSA-N 0 0 416.477 5.635 50 0 HKAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 ZINC000016162664 558774976 /nfs/dbraw/zinc/77/49/76/558774976.db2.gz RAOYJAWBFCFBTI-UHFFFAOYSA-N 0 0 405.527 5.099 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000016182835 558775450 /nfs/dbraw/zinc/77/54/50/558775450.db2.gz UQVFRDYSNFTPFB-UEQSERJNSA-N 0 0 415.920 5.807 50 0 HKAARN Brc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000016183687 558775663 /nfs/dbraw/zinc/77/56/63/558775663.db2.gz JTDKJIREQPKEGN-UHFFFAOYSA-N 0 0 423.339 5.384 50 0 HKAARN O=C1N[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)o2)Nc2sc3c(c21)CCCC3 ZINC000016184309 558775942 /nfs/dbraw/zinc/77/59/42/558775942.db2.gz CKHXPILHGAGHNI-GOSISDBHSA-N 0 0 419.333 6.048 50 0 HKAARN O=C1N[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)o2)Nc2sc3c(c21)CCCC3 ZINC000016184311 558775930 /nfs/dbraw/zinc/77/59/30/558775930.db2.gz CKHXPILHGAGHNI-SFHVURJKSA-N 0 0 419.333 6.048 50 0 HKAARN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000016185315 558776104 /nfs/dbraw/zinc/77/61/04/558776104.db2.gz XXKZEWCMJDLNNL-FCDQGJHFSA-N 0 0 402.925 5.229 50 0 HKAARN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 ZINC000016193180 558777457 /nfs/dbraw/zinc/77/74/57/558777457.db2.gz ZCCJVGGCAJYQGZ-UHFFFAOYSA-N 0 0 422.891 5.808 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000016193230 558777447 /nfs/dbraw/zinc/77/74/47/558777447.db2.gz JDHRPLKJXWMHSS-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000016193635 558777511 /nfs/dbraw/zinc/77/75/11/558777511.db2.gz RJVJXGZFKKXPOI-FATVKVNYSA-N 0 0 407.513 5.546 50 0 HKAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000016193638 569357216 /nfs/dbraw/zinc/35/72/16/569357216.db2.gz RJVJXGZFKKXPOI-ASDGIDEWSA-N 0 0 407.513 5.546 50 0 HKAARN COC(=O)c1ccc(CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1 ZINC000016194187 558777596 /nfs/dbraw/zinc/77/75/96/558777596.db2.gz QHEDTJUASPXFIH-UHFFFAOYSA-N 0 0 421.396 5.061 50 0 HKAARN COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Cl ZINC000016194507 558776692 /nfs/dbraw/zinc/77/66/92/558776692.db2.gz PLWJBNFJODMSJS-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000016194625 558777858 /nfs/dbraw/zinc/77/78/58/558777858.db2.gz CBMSOKOQQPPZMA-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Br)c1O ZINC000016195013 569029782 /nfs/dbraw/zinc/02/97/82/569029782.db2.gz MOTWTBMTLZEQBA-UHFFFAOYSA-N 0 0 421.294 5.887 50 0 HKAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc2ncccc21 ZINC000016205154 558778417 /nfs/dbraw/zinc/77/84/17/558778417.db2.gz YAVMXGGHYOWEPE-UHFFFAOYSA-N 0 0 409.898 5.105 50 0 HKAARN CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000016213300 558778879 /nfs/dbraw/zinc/77/88/79/558778879.db2.gz FBHQCWMOKSPLJM-YPKPFQOOSA-N 0 0 424.342 5.183 50 0 HKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000016214198 558778770 /nfs/dbraw/zinc/77/87/70/558778770.db2.gz NGPAXELSHIWGCQ-UHFFFAOYSA-N 0 0 424.953 5.391 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c(OC)c1 ZINC000016215483 558779083 /nfs/dbraw/zinc/77/90/83/558779083.db2.gz DJULOMHDUNYMEP-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN CCOc1ccc(NC(=S)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000016215858 569029928 /nfs/dbraw/zinc/02/99/28/569029928.db2.gz IVJNCWJJJXIPLR-UHFFFAOYSA-N 0 0 421.522 5.155 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccc(C)cc2[C@H](c2ccccc2)C[C@H]1C)c1ccccc1 ZINC000016225235 560859535 /nfs/dbraw/zinc/85/95/35/560859535.db2.gz ROAYLNQSSLPWTL-BLFHIAQRSA-N 0 0 413.517 5.557 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccc(C)cc2[C@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000016225237 534779453 /nfs/dbraw/zinc/77/94/53/534779453.db2.gz ROAYLNQSSLPWTL-CZZAQMAHSA-N 0 0 413.517 5.557 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccc(C)cc2[C@@H](c2ccccc2)C[C@H]1C)c1ccccc1 ZINC000016225239 534779128 /nfs/dbraw/zinc/77/91/28/534779128.db2.gz ROAYLNQSSLPWTL-RTGAMMJTSA-N 0 0 413.517 5.557 50 0 HKAARN CC(=O)O[C@H](C(=O)N1c2ccc(C)cc2[C@@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000016225240 560859494 /nfs/dbraw/zinc/85/94/94/560859494.db2.gz ROAYLNQSSLPWTL-CNPGNWEMSA-N 0 0 413.517 5.557 50 0 HKAARN CC[C@@H](C(=O)Nc1ccccc1NC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000016225843 558779543 /nfs/dbraw/zinc/77/95/43/558779543.db2.gz KADTYUNLWFGNCD-SZPZYZBQSA-N 0 0 400.522 5.951 50 0 HKAARN CCOc1ccc2nc(NC(=O)/C=C/c3ccc(Br)cc3)sc2c1 ZINC000016226066 558779568 /nfs/dbraw/zinc/77/95/68/558779568.db2.gz ZGXAMSFSMRRLLE-BJMVGYQFSA-N 0 0 403.301 5.109 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1Cl ZINC000016226855 558779844 /nfs/dbraw/zinc/77/98/44/558779844.db2.gz CDSWUIZUFDHQST-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN COc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1Cl ZINC000016226880 524678672 /nfs/dbraw/zinc/67/86/72/524678672.db2.gz ZMGCDHRJYAPELE-UHFFFAOYSA-N 0 0 421.899 6.832 50 0 HKAARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCCC3)o2)cc1Cl ZINC000016226913 523130898 /nfs/dbraw/zinc/13/08/98/523130898.db2.gz BSXHZAAVAQZGFB-UHFFFAOYSA-N 0 0 410.901 5.851 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1Cl ZINC000016227011 523232633 /nfs/dbraw/zinc/23/26/33/523232633.db2.gz OTBCYMOHVNQGTN-UHFFFAOYSA-N 0 0 424.909 5.643 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 ZINC000016227046 558779769 /nfs/dbraw/zinc/77/97/69/558779769.db2.gz WBJPCGYGJNTKIO-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000016227057 523231851 /nfs/dbraw/zinc/23/18/51/523231851.db2.gz YKJLUGKPPARIAE-UHFFFAOYSA-N 0 0 413.260 6.063 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000016227066 558779788 /nfs/dbraw/zinc/77/97/88/558779788.db2.gz OVPNHQKJJQTEGC-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1OC ZINC000016227127 523396847 /nfs/dbraw/zinc/39/68/47/523396847.db2.gz PFEOBIMACIKIRB-UKTHLTGXSA-N 0 0 400.434 5.164 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000016227812 558779822 /nfs/dbraw/zinc/77/98/22/558779822.db2.gz DLNQILMHHHJIBK-UHFFFAOYSA-N 0 0 416.521 6.048 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nc2c1 ZINC000016227814 558779785 /nfs/dbraw/zinc/77/97/85/558779785.db2.gz MQHXXYGMAVFALB-UHFFFAOYSA-N 0 0 424.909 5.888 50 0 HKAARN COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)N(C)C ZINC000016241265 569030252 /nfs/dbraw/zinc/03/02/52/569030252.db2.gz DIPDTUCKNBJULO-JOCHJYFZSA-N 0 0 421.566 5.077 50 0 HKAARN COc1ccccc1[C@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)N(C)C ZINC000016241266 569030228 /nfs/dbraw/zinc/03/02/28/569030228.db2.gz DIPDTUCKNBJULO-QFIPXVFZSA-N 0 0 421.566 5.077 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)scc1-c1ccc(F)cc1 ZINC000016246716 558780522 /nfs/dbraw/zinc/78/05/22/558780522.db2.gz SAULSWDMTUOQEL-LFYBBSHMSA-N 0 0 411.454 5.001 50 0 HKAARN C[C@@H]1CN(C(=O)c2cccc3ccccc32)[C@@H](C)CN1C(=O)c1cccc2ccccc21 ZINC000016246800 558780556 /nfs/dbraw/zinc/78/05/56/558780556.db2.gz SCFOJVZFZQEGGP-BGYRXZFFSA-N 0 0 422.528 5.368 50 0 HKAARN N=C1NC(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(Cl)c2)S1 ZINC000016247081 559076201 /nfs/dbraw/zinc/07/62/01/559076201.db2.gz YWWMIBCRISXLPC-CHHVJCJISA-N 0 0 413.713 5.364 50 0 HKAARN Cc1c(NC(=O)c2ccc(-c3cccc(F)c3)o2)cccc1-c1nc2ncccc2o1 ZINC000016250095 558781155 /nfs/dbraw/zinc/78/11/55/558781155.db2.gz RILZRMLMGNJJRE-UHFFFAOYSA-N 0 0 413.408 5.850 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)oc1ccccc12 ZINC000016261065 569030297 /nfs/dbraw/zinc/03/02/97/569030297.db2.gz BHYKXYZLKWNVSF-UHFFFAOYSA-N 0 0 421.321 5.471 50 0 HKAARN Cc1nc2cc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)ccc2o1 ZINC000016261462 569030308 /nfs/dbraw/zinc/03/03/08/569030308.db2.gz GQJPPACZTQNLIT-UHFFFAOYSA-N 0 0 413.886 5.006 50 0 HKAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261752 558781854 /nfs/dbraw/zinc/78/18/54/558781854.db2.gz DBHZWDOCKIXROU-QFIPXVFZSA-N 0 0 401.897 5.260 50 0 HKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261753 558781875 /nfs/dbraw/zinc/78/18/75/558781875.db2.gz DBHZWDOCKIXROU-JOCHJYFZSA-N 0 0 401.897 5.260 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263146 558781868 /nfs/dbraw/zinc/78/18/68/558781868.db2.gz IBDFRSFOJNGSJV-IBGZPJMESA-N 0 0 422.941 5.025 50 0 HKAARN Cc1ccc(-c2nc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263147 558781798 /nfs/dbraw/zinc/78/17/98/558781798.db2.gz IBDFRSFOJNGSJV-LJQANCHMSA-N 0 0 422.941 5.025 50 0 HKAARN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)c(C)cc1I ZINC000016268082 560859589 /nfs/dbraw/zinc/85/95/89/560859589.db2.gz HDOVWBOBZXRMIW-UHFFFAOYSA-N 0 0 420.077 5.467 50 0 HKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)oc2c(C)c1 ZINC000016268754 558782657 /nfs/dbraw/zinc/78/26/57/558782657.db2.gz OQCVYUFZXKRZPV-UHFFFAOYSA-N 0 0 412.276 6.066 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)oc2c(C)c1 ZINC000016268790 558782736 /nfs/dbraw/zinc/78/27/36/558782736.db2.gz WXIIYAPBRFSWRH-UHFFFAOYSA-N 0 0 414.549 6.657 50 0 HKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(OC)c1 ZINC000016268817 558782662 /nfs/dbraw/zinc/78/26/62/558782662.db2.gz DKEZSVKVJWFEQH-UHFFFAOYSA-N 0 0 416.477 5.690 50 0 HKAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000016269320 558782699 /nfs/dbraw/zinc/78/26/99/558782699.db2.gz PQULBKMGXFWQCY-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(C)c1Cl ZINC000016269436 558782676 /nfs/dbraw/zinc/78/26/76/558782676.db2.gz MLGSCUAZJJICCC-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN Cc1cc(Br)cc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 ZINC000016269457 558782747 /nfs/dbraw/zinc/78/27/47/558782747.db2.gz URPYJNZPSWRIGW-UHFFFAOYSA-N 0 0 414.303 5.077 50 0 HKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000016281999 558783348 /nfs/dbraw/zinc/78/33/48/558783348.db2.gz TXVNWIHZHSKEIM-UHFFFAOYSA-N 0 0 419.264 5.165 50 0 HKAARN Cc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)ccc1Br ZINC000016282215 569030390 /nfs/dbraw/zinc/03/03/90/569030390.db2.gz XSEIXUAYTCIXKU-FQEVSTJZSA-N 0 0 420.310 6.009 50 0 HKAARN Cc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)ccc1Br ZINC000016282218 569030379 /nfs/dbraw/zinc/03/03/79/569030379.db2.gz XSEIXUAYTCIXKU-HXUWFJFHSA-N 0 0 420.310 6.009 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000016282593 558783347 /nfs/dbraw/zinc/78/33/47/558783347.db2.gz VYJLZUMCCHKHLD-UHFFFAOYSA-N 0 0 408.910 6.186 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000016282636 558783334 /nfs/dbraw/zinc/78/33/34/558783334.db2.gz BFVPYMCQQGIXHE-UHFFFAOYSA-N 0 0 402.519 6.311 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016282642 558783453 /nfs/dbraw/zinc/78/34/53/558783453.db2.gz NHIURYLJNPUZRM-UHFFFAOYSA-N 0 0 420.537 7.191 50 0 HKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2cccc(F)c2)o1 ZINC000016282651 558783449 /nfs/dbraw/zinc/78/34/49/558783449.db2.gz VJCWHHJHIFGDHD-UHFFFAOYSA-N 0 0 413.408 5.850 50 0 HKAARN COc1ccc(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)cc1Cl ZINC000016283406 569030447 /nfs/dbraw/zinc/03/04/47/569030447.db2.gz PVJKKXHFFOCFCI-UHFFFAOYSA-N 0 0 423.948 5.306 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2C)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 ZINC000016283412 569030451 /nfs/dbraw/zinc/03/04/51/569030451.db2.gz ZDRABXUNXQORRY-UHFFFAOYSA-N 0 0 407.949 5.606 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000016284414 558783750 /nfs/dbraw/zinc/78/37/50/558783750.db2.gz RVJWYIMSXBRIEC-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000016284443 558783775 /nfs/dbraw/zinc/78/37/75/558783775.db2.gz JNSLWXRALKMYLW-UHFFFAOYSA-N 0 0 418.472 5.155 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C)cc4C)c3)oc2c1 ZINC000016285019 526241653 /nfs/dbraw/zinc/24/16/53/526241653.db2.gz COSBDMODLQXHKC-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(C)c1 ZINC000016285033 558783824 /nfs/dbraw/zinc/78/38/24/558783824.db2.gz GGRVYGULXOZANV-UHFFFAOYSA-N 0 0 422.937 6.251 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(C)c1 ZINC000016285041 569030460 /nfs/dbraw/zinc/03/04/60/569030460.db2.gz VMZHCLZRLMRZMA-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN Cc1ccc(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)c(Cl)c1 ZINC000016285102 569030452 /nfs/dbraw/zinc/03/04/52/569030452.db2.gz JUNYGEYUNVWHKW-UHFFFAOYSA-N 0 0 407.949 5.606 50 0 HKAARN Nc1c2c(nc(-c3cccs3)cc2C(F)(F)F)sc1[S@@](=O)c1ccccc1 ZINC000016285733 558783737 /nfs/dbraw/zinc/78/37/37/558783737.db2.gz GXUBAEFNQNYDIW-HHHXNRCGSA-N 0 0 424.494 5.793 50 0 HKAARN Nc1c2c(nc(-c3cccs3)cc2C(F)(F)F)sc1[S@](=O)c1ccccc1 ZINC000016285735 558783808 /nfs/dbraw/zinc/78/38/08/558783808.db2.gz GXUBAEFNQNYDIW-MHZLTWQESA-N 0 0 424.494 5.793 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000016285958 524361097 /nfs/dbraw/zinc/36/10/97/524361097.db2.gz CZNBJIOCXQXYOD-GASCZTMLSA-N 0 0 415.331 5.105 50 0 HKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000016286058 527410506 /nfs/dbraw/zinc/41/05/06/527410506.db2.gz MJQUUMLSOZGXTF-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc12 ZINC000016286508 558783708 /nfs/dbraw/zinc/78/37/08/558783708.db2.gz BZVHWZABWJTOTM-UHFFFAOYSA-N 0 0 406.283 5.325 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016291977 558784164 /nfs/dbraw/zinc/78/41/64/558784164.db2.gz LQCGZWHBZGQVSZ-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016291978 558784167 /nfs/dbraw/zinc/78/41/67/558784167.db2.gz LQCGZWHBZGQVSZ-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN COc1ccc([C@@H]2Nc3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)O2)cc1 ZINC000016292146 558784184 /nfs/dbraw/zinc/78/41/84/558784184.db2.gz XOUOAAVDDYHQJT-MUUNZHRXSA-N 0 0 421.540 6.745 50 0 HKAARN COc1ccc([C@H]2Nc3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)O2)cc1 ZINC000016292148 558784202 /nfs/dbraw/zinc/78/42/02/558784202.db2.gz XOUOAAVDDYHQJT-NDEPHWFRSA-N 0 0 421.540 6.745 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 ZINC000016293156 569030437 /nfs/dbraw/zinc/03/04/37/569030437.db2.gz RBNRQYUUULFAJI-JOCHJYFZSA-N 0 0 424.338 6.192 50 0 HKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 ZINC000016293159 569030428 /nfs/dbraw/zinc/03/04/28/569030428.db2.gz RBNRQYUUULFAJI-QFIPXVFZSA-N 0 0 424.338 6.192 50 0 HKAARN COC(=O)c1ccccc1Oc1c(F)c(F)c(/C=C/CN2CCCCC2)c(F)c1F ZINC000016294239 558784351 /nfs/dbraw/zinc/78/43/51/558784351.db2.gz XTJOWXUDKLVGGX-VQHVLOKHSA-N 0 0 423.406 5.321 50 0 HKAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cc(=O)c2ccccc2o1 ZINC000016297839 569031075 /nfs/dbraw/zinc/03/10/75/569031075.db2.gz OWGJGBXDDRMGAM-UHFFFAOYSA-N 0 0 421.399 5.238 50 0 HKAARN O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000016303324 569031122 /nfs/dbraw/zinc/03/11/22/569031122.db2.gz UKXLPNYUJFQBPH-UHFFFAOYSA-N 0 0 415.276 5.154 50 0 HKAARN Cc1ccc(S[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000016310795 558785268 /nfs/dbraw/zinc/78/52/68/558785268.db2.gz MHXMZXXLPSEHSJ-CQSZACIVSA-N 0 0 414.423 5.832 50 0 HKAARN Cc1ccc(S[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000016310799 558785295 /nfs/dbraw/zinc/78/52/95/558785295.db2.gz MHXMZXXLPSEHSJ-AWEZNQCLSA-N 0 0 414.423 5.832 50 0 HKAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000016310825 558785347 /nfs/dbraw/zinc/78/53/47/558785347.db2.gz QHWONMQORWALDD-LJQANCHMSA-N 0 0 418.562 5.087 50 0 HKAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000016310830 558785320 /nfs/dbraw/zinc/78/53/20/558785320.db2.gz QHWONMQORWALDD-IBGZPJMESA-N 0 0 418.562 5.087 50 0 HKAARN Cc1ccc(SCCNC(=O)c2ccccc2Nc2cccc3ccccc32)cc1 ZINC000016310993 558785299 /nfs/dbraw/zinc/78/52/99/558785299.db2.gz AOXPYUNFCGQPCS-UHFFFAOYSA-N 0 0 412.558 6.414 50 0 HKAARN Cc1ccc(-n2nnnc2-c2cnc(C(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000016311572 558785565 /nfs/dbraw/zinc/78/55/65/558785565.db2.gz WQHSABFHUVMAMJ-UHFFFAOYSA-N 0 0 424.430 5.237 50 0 HKAARN Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2ccccc2Cl)cc1 ZINC000016311615 558785552 /nfs/dbraw/zinc/78/55/52/558785552.db2.gz ARPMBCQBPIECFK-UHFFFAOYSA-N 0 0 404.905 5.046 50 0 HKAARN Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2cccs2)cc1 ZINC000016311695 558785541 /nfs/dbraw/zinc/78/55/41/558785541.db2.gz RXGDBQDKKZMNAT-UHFFFAOYSA-N 0 0 418.913 5.205 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl ZINC000016312772 558785806 /nfs/dbraw/zinc/78/58/06/558785806.db2.gz BMUZUCQUIHFIQI-UHFFFAOYSA-N 0 0 413.329 6.831 50 0 HKAARN CC(C)c1ccc(NC(=S)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000016313116 558786019 /nfs/dbraw/zinc/78/60/19/558786019.db2.gz NBUAPJGOGPNWII-UHFFFAOYSA-N 0 0 405.571 5.604 50 0 HKAARN Cc1ccccc1-n1c(/C=C/c2ccccc2)nc2ccc(Br)cc2c1=O ZINC000016319421 558785915 /nfs/dbraw/zinc/78/59/15/558785915.db2.gz ASRFWSJDFVQNQL-SDNWHVSQSA-N 0 0 417.306 5.627 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2c(O)ccc3ccccc23)n1-c1ccccc1Cl ZINC000016319596 558785989 /nfs/dbraw/zinc/78/59/89/558785989.db2.gz DLERHVACUJFYKX-JQIJEIRASA-N 0 0 424.887 6.068 50 0 HKAARN COc1ccc(OC)c(NC(=O)CC23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 ZINC000016320099 558785949 /nfs/dbraw/zinc/78/59/49/558785949.db2.gz QOLFUKCWFCMJSP-GBXBDOIYSA-N 0 0 405.538 5.571 50 0 HKAARN Cc1cc(C)c(NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)c(C)c1 ZINC000016320285 569031318 /nfs/dbraw/zinc/03/13/18/569031318.db2.gz KSBINIXELNOOSN-UHFFFAOYSA-N 0 0 409.457 5.125 50 0 HKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000016322334 558786379 /nfs/dbraw/zinc/78/63/79/558786379.db2.gz ATKPOCSYHRTEJR-GFCCVEGCSA-N 0 0 418.386 5.663 50 0 HKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000016322336 558786451 /nfs/dbraw/zinc/78/64/51/558786451.db2.gz ATKPOCSYHRTEJR-LBPRGKRZSA-N 0 0 418.386 5.663 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000016322624 558786449 /nfs/dbraw/zinc/78/64/49/558786449.db2.gz YWCYBRGYKAJKKL-UHFFFAOYSA-N 0 0 405.885 5.679 50 0 HKAARN CCCN(C(=O)CSc1nnc(NCc2ccc(F)cc2)s1)C1=CCCCC1 ZINC000016336228 558786660 /nfs/dbraw/zinc/78/66/60/558786660.db2.gz NKMPMFMOCDFWCP-UHFFFAOYSA-N 0 0 420.579 5.078 50 0 HKAARN CCN(Cc1ccc(Cl)s1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000016341595 558786924 /nfs/dbraw/zinc/78/69/24/558786924.db2.gz LHDBRUYYNOTFJP-UHFFFAOYSA-N 0 0 412.740 5.236 50 0 HKAARN Cc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccs2)cc1Cl ZINC000016346938 558787157 /nfs/dbraw/zinc/78/71/57/558787157.db2.gz UADFFTLZQUJXOC-UHFFFAOYSA-N 0 0 418.913 5.205 50 0 HKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cccc(F)c2)o1 ZINC000016347620 558787271 /nfs/dbraw/zinc/78/72/71/558787271.db2.gz ZSYVYHNXAXFPOQ-UHFFFAOYSA-N 0 0 413.408 5.850 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000016347634 558787350 /nfs/dbraw/zinc/78/73/50/558787350.db2.gz HGOGAUATTOMIMN-UHFFFAOYSA-N 0 0 411.892 6.597 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 ZINC000016348533 558787485 /nfs/dbraw/zinc/78/74/85/558787485.db2.gz PQOTUYYWJKIRKO-UHFFFAOYSA-N 0 0 402.450 5.381 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)oc2c1 ZINC000016348554 558787477 /nfs/dbraw/zinc/78/74/77/558787477.db2.gz YHZYBPBMTDYBNP-UHFFFAOYSA-N 0 0 421.294 6.126 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2c1 ZINC000016348688 558787558 /nfs/dbraw/zinc/78/75/58/558787558.db2.gz QJFQNAOVPSKECW-UHFFFAOYSA-N 0 0 420.896 6.253 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2c1 ZINC000016348690 558787524 /nfs/dbraw/zinc/78/75/24/558787524.db2.gz MLYIUYTWDITHFM-UHFFFAOYSA-N 0 0 400.478 5.944 50 0 HKAARN Cc1ccc2nsnc2c1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000016348807 558787505 /nfs/dbraw/zinc/78/75/05/558787505.db2.gz OZENVHIWKPMSDE-UHFFFAOYSA-N 0 0 413.458 5.025 50 0 HKAARN Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)c2n1 ZINC000016348850 558787566 /nfs/dbraw/zinc/78/75/66/558787566.db2.gz YFGCVNYUSMUTFM-CSKARUKUSA-N 0 0 423.299 6.762 50 0 HKAARN Cc1ccc2cccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1 ZINC000016348889 558787564 /nfs/dbraw/zinc/78/75/64/558787564.db2.gz XZDWKUFTBYZYHF-UHFFFAOYSA-N 0 0 417.577 7.627 50 0 HKAARN CCN(Cc1ccc(Br)s1)Cc1nc(-c2ccccc2Cl)no1 ZINC000016349882 558787628 /nfs/dbraw/zinc/78/76/28/558787628.db2.gz KOIRBLSBHCYSMS-UHFFFAOYSA-N 0 0 412.740 5.236 50 0 HKAARN COc1cc2c(cc1NC(=S)Nc1ccc(Cl)c(Cl)c1)oc1ccccc12 ZINC000016361000 558787666 /nfs/dbraw/zinc/78/76/66/558787666.db2.gz XCBCOMNBDUWBSH-UHFFFAOYSA-N 0 0 417.317 6.710 50 0 HKAARN COc1cc2sc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)nc2cc1Cl ZINC000016361353 558787719 /nfs/dbraw/zinc/78/77/19/558787719.db2.gz XUBRAGBMRRMNRR-UHFFFAOYSA-N 0 0 417.701 5.526 50 0 HKAARN O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1)c1ccccc1Cl ZINC000016361402 558787662 /nfs/dbraw/zinc/78/76/62/558787662.db2.gz IAAFJGGBQUYUFR-UHFFFAOYSA-N 0 0 421.909 5.935 50 0 HKAARN CCOc1ccc2nc(NC(=O)c3cc(Br)cc(C)c3OC)sc2c1 ZINC000016361456 560860066 /nfs/dbraw/zinc/86/00/66/560860066.db2.gz BMWDZUDSXQQYQZ-UHFFFAOYSA-N 0 0 421.316 5.027 50 0 HKAARN Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)c2ncccc2C)c(Cl)c1 ZINC000016361862 558787909 /nfs/dbraw/zinc/78/79/09/558787909.db2.gz ZVUSBHGUJSCJKB-UHFFFAOYSA-N 0 0 413.304 5.801 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c(C)c1 ZINC000016361871 558787934 /nfs/dbraw/zinc/78/79/34/558787934.db2.gz KXIWGYLMZRQZQL-HDFUYHJRSA-N 0 0 421.544 5.887 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c(C)c1 ZINC000016361873 558787936 /nfs/dbraw/zinc/78/79/36/558787936.db2.gz KXIWGYLMZRQZQL-OXHGWOFKSA-N 0 0 421.544 5.887 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cccc(C)c1C ZINC000016362156 558787930 /nfs/dbraw/zinc/78/79/30/558787930.db2.gz MBZMMZMCCZLABB-UHFFFAOYSA-N 0 0 418.518 5.606 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1C ZINC000016362167 558787933 /nfs/dbraw/zinc/78/79/33/558787933.db2.gz PJCOPNMHZUXDJD-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C ZINC000016362386 558788112 /nfs/dbraw/zinc/78/81/12/558788112.db2.gz KGIXINPWNVVBHC-UHFFFAOYSA-N 0 0 400.478 5.989 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016362589 558788143 /nfs/dbraw/zinc/78/81/43/558788143.db2.gz RTIYBRHNNROGLB-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016362591 558788119 /nfs/dbraw/zinc/78/81/19/558788119.db2.gz RTIYBRHNNROGLB-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000016363018 558788085 /nfs/dbraw/zinc/78/80/85/558788085.db2.gz DTOZVEBHSOYULS-UHFFFAOYSA-N 0 0 404.491 5.303 50 0 HKAARN Cc1cccn2cc(CSc3nc(-c4cc5ccccc5oc4=O)cs3)nc12 ZINC000016363087 558788092 /nfs/dbraw/zinc/78/80/92/558788092.db2.gz HBBJRWQGBWEHAQ-UHFFFAOYSA-N 0 0 405.504 5.165 50 0 HKAARN Cc1ccn2cc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)nc2c1 ZINC000016363098 558788164 /nfs/dbraw/zinc/78/81/64/558788164.db2.gz RAVGAORCHVNHGD-UHFFFAOYSA-N 0 0 417.412 5.231 50 0 HKAARN COc1ccc2c(c1)nc(SCc1cn3c(C)csc3n1)cc2C(F)(F)F ZINC000016363230 558788150 /nfs/dbraw/zinc/78/81/50/558788150.db2.gz GQUKKLHEPZNCBA-UHFFFAOYSA-N 0 0 409.458 5.572 50 0 HKAARN Cn1c2ccccc2c(/C=C2\SC(=N)N(c3nccs3)C2=O)c1-c1ccccc1 ZINC000016364077 569032572 /nfs/dbraw/zinc/03/25/72/569032572.db2.gz RAFOGDPTQBMNRL-FQGQUVFJSA-N 0 0 416.531 5.357 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2ccccc2NC(=O)COc2ccc3ccccc3c2)c1 ZINC000016381509 558788795 /nfs/dbraw/zinc/78/87/95/558788795.db2.gz GMDPPYALVWYEKM-UHFFFAOYSA-N 0 0 424.500 5.726 50 0 HKAARN COc1ccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccccc2)cc1OC ZINC000016381725 558788815 /nfs/dbraw/zinc/78/88/15/558788815.db2.gz QPUBBWSNBIVSJP-UHFFFAOYSA-N 0 0 421.497 5.383 50 0 HKAARN Clc1ccc2c(c1)nc(SCc1nnc(-c3ccccc3)o1)n2C1CCCCC1 ZINC000016382036 558788840 /nfs/dbraw/zinc/78/88/40/558788840.db2.gz WDINKYIYIFSUSL-UHFFFAOYSA-N 0 0 424.957 6.537 50 0 HKAARN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 ZINC000016385150 558789228 /nfs/dbraw/zinc/78/92/28/558789228.db2.gz XZDHBVYQFZXRKP-UHFFFAOYSA-N 0 0 421.305 5.155 50 0 HKAARN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2 ZINC000016385974 569040340 /nfs/dbraw/zinc/04/03/40/569040340.db2.gz DVKBDCQBGYYITK-UHFFFAOYSA-N 0 0 421.305 5.155 50 0 HKAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 ZINC000016392064 558789551 /nfs/dbraw/zinc/78/95/51/558789551.db2.gz DLPSCFRAOCJXCS-UHFFFAOYSA-N 0 0 422.406 6.182 50 0 HKAARN CCc1nnc(NC(=O)c2cc(-c3ccccc3OC)nc3ccc(Cl)cc32)s1 ZINC000016392313 558789554 /nfs/dbraw/zinc/78/95/54/558789554.db2.gz CXVJOXQDUXXTAB-UHFFFAOYSA-N 0 0 424.913 5.230 50 0 HKAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)C[C@H](C)O1 ZINC000016392505 558789451 /nfs/dbraw/zinc/78/94/51/558789451.db2.gz AEJAAUXZESWESW-OKILXGFUSA-N 0 0 415.320 5.458 50 0 HKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc21 ZINC000016392575 558789541 /nfs/dbraw/zinc/78/95/41/558789541.db2.gz BIWLSWDGMAUBJF-UHFFFAOYSA-N 0 0 418.474 5.011 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000016393841 559077240 /nfs/dbraw/zinc/07/72/40/559077240.db2.gz OMHQBECEFYINEX-UHFFFAOYSA-N 0 0 421.419 5.341 50 0 HKAARN Nc1c(C(=O)Nc2cccnc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000016393854 559077241 /nfs/dbraw/zinc/07/72/41/559077241.db2.gz NANHOJKPZGIURD-UHFFFAOYSA-N 0 0 414.412 5.212 50 0 HKAARN Clc1ccccc1-c1nnc(CN(Cc2cccs2)Cc2cccs2)o1 ZINC000016396771 558789407 /nfs/dbraw/zinc/78/94/07/558789407.db2.gz XHZGOIUHWOLOJD-UHFFFAOYSA-N 0 0 401.944 5.715 50 0 HKAARN COc1ccccc1-c1noc(CN(CCc2ccccc2)Cc2ccc(C)s2)n1 ZINC000016397166 569041044 /nfs/dbraw/zinc/04/10/44/569041044.db2.gz FIHKJWHWHTZTPG-UHFFFAOYSA-N 0 0 419.550 5.360 50 0 HKAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000016399001 558789739 /nfs/dbraw/zinc/78/97/39/558789739.db2.gz VYVXPIGNSCDMRE-UHFFFAOYSA-N 0 0 416.268 5.676 50 0 HKAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000016399279 558789689 /nfs/dbraw/zinc/78/96/89/558789689.db2.gz ULPSGVNIOLJQDF-UHFFFAOYSA-N 0 0 424.422 5.650 50 0 HKAARN Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000016399281 569041181 /nfs/dbraw/zinc/04/11/81/569041181.db2.gz KREJOYKMGIWNBA-OAQYLSRUSA-N 0 0 418.821 6.854 50 0 HKAARN Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000016399283 569041227 /nfs/dbraw/zinc/04/12/27/569041227.db2.gz KREJOYKMGIWNBA-NRFANRHFSA-N 0 0 418.821 6.854 50 0 HKAARN O=C(Nc1cccc(COC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000016399390 558789663 /nfs/dbraw/zinc/78/96/63/558789663.db2.gz DQCHUCMKKGYDQA-UHFFFAOYSA-N 0 0 400.261 5.603 50 0 HKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(Cl)c1Cl ZINC000016399402 569041202 /nfs/dbraw/zinc/04/12/02/569041202.db2.gz FQQXNYGQQSSZRU-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=c1c(Cl)c(Nc2cccc(C(F)(F)F)c2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000016399459 569041206 /nfs/dbraw/zinc/04/12/06/569041206.db2.gz QHWVSBQRXHJIPB-UHFFFAOYSA-N 0 0 423.866 5.584 50 0 HKAARN O=C([O-])c1ccc(C[NH2+]Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000016399627 558789744 /nfs/dbraw/zinc/78/97/44/558789744.db2.gz XZIQUMGHKWQCJG-UHFFFAOYSA-N 0 0 416.304 5.560 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1C ZINC000016400337 558789969 /nfs/dbraw/zinc/78/99/69/558789969.db2.gz OKTNSBFPDKCCQG-UHFFFAOYSA-N 0 0 420.490 5.706 50 0 HKAARN O=C(Cc1cccs1)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 ZINC000016400405 558789887 /nfs/dbraw/zinc/78/98/87/558789887.db2.gz RSCIHPWZAOPPGB-UHFFFAOYSA-N 0 0 422.531 5.181 50 0 HKAARN COc1ccc(-c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)cc1OC ZINC000016400787 558789870 /nfs/dbraw/zinc/78/98/70/558789870.db2.gz GGLSKLZSBMKMEP-UHFFFAOYSA-N 0 0 417.362 5.238 50 0 HKAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1Cl ZINC000016400809 558789883 /nfs/dbraw/zinc/78/98/83/558789883.db2.gz IAJJFOZSXWYLPV-UHFFFAOYSA-N 0 0 420.871 5.612 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(Cl)cc1 ZINC000016401061 558789945 /nfs/dbraw/zinc/78/99/45/558789945.db2.gz BIWHBZWDUIXGHO-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(F)cc1 ZINC000016401063 558789902 /nfs/dbraw/zinc/78/99/02/558789902.db2.gz SLTPKMBJTLLMIZ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN O=C(CSCc1ccc(Br)cc1)NCc1ccc(Cl)cc1Cl ZINC000016401854 558790124 /nfs/dbraw/zinc/79/01/24/558790124.db2.gz FZZSIROFGHHXOF-UHFFFAOYSA-N 0 0 419.171 5.306 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2occc2C)cs1)c1c(C)cc(C)cc1Cl ZINC000016416766 569041878 /nfs/dbraw/zinc/04/18/78/569041878.db2.gz IBVWODSVWJGVKW-UHFFFAOYSA-N 0 0 418.902 5.356 50 0 HKAARN CCOc1cc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)ccc1OC(F)F ZINC000016419431 558790282 /nfs/dbraw/zinc/79/02/82/558790282.db2.gz KFCNDHVVFNIEBC-UHFFFAOYSA-N 0 0 421.875 5.152 50 0 HKAARN Cc1cccc(CSCCNC(=O)CSCc2ccc(Br)cc2)c1 ZINC000016424941 558790734 /nfs/dbraw/zinc/79/07/34/558790734.db2.gz SBGRFDVJWHNLLW-UHFFFAOYSA-N 0 0 424.429 5.040 50 0 HKAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccccc4)c(Cl)cc32)cc1 ZINC000016425412 559077243 /nfs/dbraw/zinc/07/72/43/559077243.db2.gz DZEQGTTUBHWSNG-UHFFFAOYSA-N 0 0 420.848 5.384 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000016425933 558790650 /nfs/dbraw/zinc/79/06/50/558790650.db2.gz DPEQBIKHOWMQBQ-UHFFFAOYSA-N 0 0 421.305 5.047 50 0 HKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000016429543 558791220 /nfs/dbraw/zinc/79/12/20/558791220.db2.gz HCAKKXYKAFFPEP-UHFFFAOYSA-N 0 0 417.259 5.710 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(Br)o1 ZINC000016431604 558791467 /nfs/dbraw/zinc/79/14/67/558791467.db2.gz UTWFVBIQRVXNLI-UHFFFAOYSA-N 0 0 418.634 5.151 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1 ZINC000016442959 569051372 /nfs/dbraw/zinc/05/13/72/569051372.db2.gz NSXCZUINFRWPDW-UHFFFAOYSA-N 0 0 420.365 5.578 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000016447866 558791691 /nfs/dbraw/zinc/79/16/91/558791691.db2.gz WMPYDQJEXSSDOK-UHFFFAOYSA-N 0 0 420.852 5.356 50 0 HKAARN CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 ZINC000016447873 558791662 /nfs/dbraw/zinc/79/16/62/558791662.db2.gz UFNUFDUKKLSKBN-UHFFFAOYSA-N 0 0 420.365 5.212 50 0 HKAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000016447973 558791713 /nfs/dbraw/zinc/79/17/13/558791713.db2.gz GUEMUPNXZHQVLV-YADHBBJMSA-N 0 0 424.338 5.512 50 0 HKAARN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000016447974 558791735 /nfs/dbraw/zinc/79/17/35/558791735.db2.gz GUEMUPNXZHQVLV-VXKWHMMOSA-N 0 0 424.338 5.512 50 0 HKAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000016447976 558791706 /nfs/dbraw/zinc/79/17/06/558791706.db2.gz GUEMUPNXZHQVLV-FGZHOGPDSA-N 0 0 424.338 5.512 50 0 HKAARN CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000016447978 558791709 /nfs/dbraw/zinc/79/17/09/558791709.db2.gz GUEMUPNXZHQVLV-FCHUYYIVSA-N 0 0 424.338 5.512 50 0 HKAARN Cc1cccc(-n2c(/C=C/c3ccccc3)nc3ccc(Br)cc3c2=O)c1 ZINC000016448278 558791723 /nfs/dbraw/zinc/79/17/23/558791723.db2.gz ACIIDSKDJVBVGU-JLHYYAGUSA-N 0 0 417.306 5.627 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc2c(c1)OCCO2 ZINC000016448707 558791952 /nfs/dbraw/zinc/79/19/52/558791952.db2.gz JDXURNCEWXQYLI-UHFFFAOYSA-N 0 0 422.440 5.672 50 0 HKAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1OC ZINC000016448791 558791890 /nfs/dbraw/zinc/79/18/90/558791890.db2.gz SBAIUGATIFVXTD-UHFFFAOYSA-N 0 0 420.943 5.212 50 0 HKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(F)cc1 ZINC000016448873 558791901 /nfs/dbraw/zinc/79/19/01/558791901.db2.gz FGNXPLTYIUQZCA-UHFFFAOYSA-N 0 0 423.919 5.054 50 0 HKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCC1 ZINC000016449237 558791917 /nfs/dbraw/zinc/79/19/17/558791917.db2.gz SPZFBOSADWXRHY-UHFFFAOYSA-N 0 0 423.365 5.101 50 0 HKAARN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1F ZINC000016449335 558791921 /nfs/dbraw/zinc/79/19/21/558791921.db2.gz YCPPVKZWJSRNHJ-UHFFFAOYSA-N 0 0 401.224 6.193 50 0 HKAARN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449727 558792170 /nfs/dbraw/zinc/79/21/70/558792170.db2.gz CRTNMPBXTXGPRJ-UHFFFAOYSA-N 0 0 416.304 5.560 50 0 HKAARN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cncc(Br)c1 ZINC000016449896 558792236 /nfs/dbraw/zinc/79/22/36/558792236.db2.gz HJNGANDZTGUIPC-UHFFFAOYSA-N 0 0 417.690 5.329 50 0 HKAARN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000016450976 569051755 /nfs/dbraw/zinc/05/17/55/569051755.db2.gz IZNIPJRJLRABGX-WDZFZDKYSA-N 0 0 409.272 6.454 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1cc(C)nc(C(C)C)n1)c1ccccc1 ZINC000016453935 558792627 /nfs/dbraw/zinc/79/26/27/558792627.db2.gz YKHGNOIVHIPJST-QFIPXVFZSA-N 0 0 421.566 5.698 50 0 HKAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C)nc(C(C)C)n1)c1ccccc1 ZINC000016453936 558792657 /nfs/dbraw/zinc/79/26/57/558792657.db2.gz YKHGNOIVHIPJST-JOCHJYFZSA-N 0 0 421.566 5.698 50 0 HKAARN Cc1cc(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc(C(C)C)n1 ZINC000016454150 558792684 /nfs/dbraw/zinc/79/26/84/558792684.db2.gz PLAJWYQCRRWAEV-JTQLQIEISA-N 0 0 418.777 5.988 50 0 HKAARN Cc1cc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc(C(C)C)n1 ZINC000016454151 558792692 /nfs/dbraw/zinc/79/26/92/558792692.db2.gz PLAJWYQCRRWAEV-SNVBAGLBSA-N 0 0 418.777 5.988 50 0 HKAARN COc1cc2c(cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1)oc1ccccc12 ZINC000016470033 558792850 /nfs/dbraw/zinc/79/28/50/558792850.db2.gz YIQAEGWLUXHDDF-INIZCTEOSA-N 0 0 417.461 5.405 50 0 HKAARN COc1cc2c(cc1NC(=O)c1ccccc1OC[C@H]1CCCO1)oc1ccccc12 ZINC000016470034 558792878 /nfs/dbraw/zinc/79/28/78/558792878.db2.gz YIQAEGWLUXHDDF-MRXNPFEDSA-N 0 0 417.461 5.405 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000016474173 558793078 /nfs/dbraw/zinc/79/30/78/558793078.db2.gz HJOBBDVOUWBAJB-UHFFFAOYSA-N 0 0 424.658 7.133 50 0 HKAARN 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COc1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccccc1SCc1ccccc1 ZINC000016609409 558796745 /nfs/dbraw/zinc/79/67/45/558796745.db2.gz IQNZDXAWTUQNEI-GOSISDBHSA-N 0 0 403.547 5.969 50 0 HKAARN CCC(=O)Nc1nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2s1 ZINC000016609961 558796718 /nfs/dbraw/zinc/79/67/18/558796718.db2.gz ZMGIYWNNYRIYBN-UHFFFAOYSA-N 0 0 405.932 5.029 50 0 HKAARN CN(CCSc1ccc(Cl)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016635927 558797212 /nfs/dbraw/zinc/79/72/12/558797212.db2.gz JMUJVPKCIFKRAA-UHFFFAOYSA-N 0 0 403.762 5.309 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000016639227 558797381 /nfs/dbraw/zinc/79/73/81/558797381.db2.gz WKHFJVIPWRYZCU-UHFFFAOYSA-N 0 0 416.477 5.935 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 ZINC000016639362 558797406 /nfs/dbraw/zinc/79/74/06/558797406.db2.gz WVNQRFFYFIDCHV-UHFFFAOYSA-N 0 0 416.477 5.935 50 0 HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000016640777 560666329 /nfs/dbraw/zinc/66/63/29/560666329.db2.gz YVKJIQZQODEEQO-UHFFFAOYSA-N 0 0 413.546 5.487 50 0 HKAARN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000016643110 558797538 /nfs/dbraw/zinc/79/75/38/558797538.db2.gz AVZJICHUWJJPLI-UHFFFAOYSA-N 0 0 403.887 5.347 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCC[C@H]32)cc(Br)c1OC ZINC000016649763 568935210 /nfs/dbraw/zinc/93/52/10/568935210.db2.gz JYKLTNKVDBRJQY-FASAQXTFSA-N 0 0 404.304 5.019 50 0 HKAARN COc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000016649768 569062948 /nfs/dbraw/zinc/06/29/48/569062948.db2.gz JYKLTNKVDBRJQY-BKTGTZMESA-N 0 0 404.304 5.019 50 0 HKAARN COc1ccc(-c2ccccc2)cc1NCc1cc(Br)c(O)c(OC)c1 ZINC000016663179 558798310 /nfs/dbraw/zinc/79/83/10/558798310.db2.gz JGPMCVAUSYKTKU-UHFFFAOYSA-N 0 0 414.299 5.451 50 0 HKAARN CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccccc3)c2)cc1 ZINC000016667279 558798530 /nfs/dbraw/zinc/79/85/30/558798530.db2.gz DCKGBGDDYIRGKV-ZZIIXHQDSA-N 0 0 413.517 6.746 50 0 HKAARN Cc1cc(=O)oc2cc(OCc3nc(-c4ccccc4Cl)no3)c(Cl)cc12 ZINC000016668199 558798490 /nfs/dbraw/zinc/79/84/90/558798490.db2.gz WCOYGUZCNNZVPQ-UHFFFAOYSA-N 0 0 403.221 5.037 50 0 HKAARN Clc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccs1 ZINC000016671524 558798608 /nfs/dbraw/zinc/79/86/08/558798608.db2.gz MPZUIQUGEROABU-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccs1 ZINC000016671526 558798680 /nfs/dbraw/zinc/79/86/80/558798680.db2.gz MPZUIQUGEROABU-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN O=C(OCc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000016674528 558798796 /nfs/dbraw/zinc/79/87/96/558798796.db2.gz URBRGRNISXJRBB-UHFFFAOYSA-N 0 0 415.396 5.129 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000016677518 558798920 /nfs/dbraw/zinc/79/89/20/558798920.db2.gz XMAWLLROIWWEQN-UHFFFAOYSA-N 0 0 416.477 5.935 50 0 HKAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc4ccccc43)C2=O)cc1 ZINC000016677587 558798879 /nfs/dbraw/zinc/79/88/79/558798879.db2.gz VXWPRQIEKNIJCK-ULJHMMPZSA-N 0 0 420.468 5.488 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000016677663 558798904 /nfs/dbraw/zinc/79/89/04/558798904.db2.gz LDLWEANURRCDPK-UHFFFAOYSA-N 0 0 421.452 5.874 50 0 HKAARN COc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc(OC)c1OC ZINC000016677761 558798946 /nfs/dbraw/zinc/79/89/46/558798946.db2.gz ZKOCGPUCXGIYKO-QFIPXVFZSA-N 0 0 420.553 5.259 50 0 HKAARN COc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc(OC)c1OC ZINC000016677762 558798957 /nfs/dbraw/zinc/79/89/57/558798957.db2.gz ZKOCGPUCXGIYKO-JOCHJYFZSA-N 0 0 420.553 5.259 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)[nH]c5ccccc54)cc3)sc2c1 ZINC000016680281 558799277 /nfs/dbraw/zinc/79/92/77/558799277.db2.gz UGSCXKWHSZKKOJ-UHFFFAOYSA-N 0 0 411.486 5.366 50 0 HKAARN CCOc1ccccc1N(C(=O)CCc1ccsc1)c1nc2ccccc2s1 ZINC000016680344 558799210 /nfs/dbraw/zinc/79/92/10/558799210.db2.gz FQLWTCXFVCTERZ-UHFFFAOYSA-N 0 0 408.548 6.054 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1ccsc1 ZINC000016680395 558799245 /nfs/dbraw/zinc/79/92/45/558799245.db2.gz ABLDBJJWFSYPLV-UHFFFAOYSA-N 0 0 421.953 5.455 50 0 HKAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000016681437 558799259 /nfs/dbraw/zinc/79/92/59/558799259.db2.gz KSXLZONAFJZZAG-BOPFTXTBSA-N 0 0 418.312 5.084 50 0 HKAARN CCOC(=O)c1c(C)n(Cc2ccc(C(C)C)cc2)c2c1cc(O)c1ccccc21 ZINC000016683033 559079101 /nfs/dbraw/zinc/07/91/01/559079101.db2.gz ZCJNSGHQBZVRMT-UHFFFAOYSA-N 0 0 401.506 6.157 50 0 HKAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000016685368 558799765 /nfs/dbraw/zinc/79/97/65/558799765.db2.gz LUXUXSNPDRCJDY-NRFANRHFSA-N 0 0 423.438 5.224 50 0 HKAARN CCOC(=O)c1ccc(COC(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)cc1 ZINC000016687811 558799957 /nfs/dbraw/zinc/79/99/57/558799957.db2.gz WCZKSGDRTREDKZ-UHFFFAOYSA-N 0 0 418.489 5.416 50 0 HKAARN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016689798 569070531 /nfs/dbraw/zinc/07/05/31/569070531.db2.gz RWUUYEFLSSWUDM-FCEWJHQRSA-N 0 0 422.554 5.132 50 0 HKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000016689835 569070603 /nfs/dbraw/zinc/07/06/03/569070603.db2.gz VXHIBQRKWXPVLI-UHFFFAOYSA-N 0 0 422.531 5.681 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)OCC(=O)c3cccs3)c3ccccc3n2)cc1 ZINC000016691926 558800250 /nfs/dbraw/zinc/80/02/50/558800250.db2.gz JCFJNQDANDWXFK-UHFFFAOYSA-N 0 0 417.486 5.402 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl ZINC000016692390 558800219 /nfs/dbraw/zinc/80/02/19/558800219.db2.gz ZKXIQFZSUDRQES-UHFFFAOYSA-N 0 0 422.937 6.576 50 0 HKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 ZINC000016693199 558800431 /nfs/dbraw/zinc/80/04/31/558800431.db2.gz JRLZCXDAQIQBLJ-UHFFFAOYSA-N 0 0 404.491 5.623 50 0 HKAARN c1ccc(-c2ccc(Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 ZINC000016697031 558801213 /nfs/dbraw/zinc/80/12/13/558801213.db2.gz BMWFGSBSRCFWTA-UHFFFAOYSA-N 0 0 412.536 8.567 50 0 HKAARN CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1Br ZINC000016697077 558801199 /nfs/dbraw/zinc/80/11/99/558801199.db2.gz WCPNQTWCPYBSEI-UHFFFAOYSA-N 0 0 403.323 6.531 50 0 HKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccccc1Cl ZINC000016705179 569261201 /nfs/dbraw/zinc/26/12/01/569261201.db2.gz NLQWJIQZTCIDLW-UHFFFAOYSA-N 0 0 401.691 5.725 50 0 HKAARN Cc1nc(COc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)cs1 ZINC000016706305 569261270 /nfs/dbraw/zinc/26/12/70/569261270.db2.gz XAIIJDLCVLWPFC-UHFFFAOYSA-N 0 0 414.530 5.550 50 0 HKAARN Cc1nc(COc2cccc(C(=O)Nc3nc4ccc(Cl)cc4s3)c2)cs1 ZINC000016706653 558801526 /nfs/dbraw/zinc/80/15/26/558801526.db2.gz MLNWBVYAITYHFC-UHFFFAOYSA-N 0 0 415.927 5.546 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(OCc2cscn2)c1 ZINC000016706796 558801534 /nfs/dbraw/zinc/80/15/34/558801534.db2.gz QBIBGXQPJGSBPV-UHFFFAOYSA-N 0 0 411.483 5.237 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000016707594 558801644 /nfs/dbraw/zinc/80/16/44/558801644.db2.gz FGUWHOBHECINMA-UHFFFAOYSA-N 0 0 411.929 5.759 50 0 HKAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1 ZINC000016708419 558801639 /nfs/dbraw/zinc/80/16/39/558801639.db2.gz ZUKJNHRRQSJPMX-UHFFFAOYSA-N 0 0 415.927 5.166 50 0 HKAARN Cc1nc(COc2cccc(C(=O)N[C@H](c3cccs3)c3ccccc3)c2)cs1 ZINC000016708913 558801714 /nfs/dbraw/zinc/80/17/14/558801714.db2.gz WMSWPWYFBNKCCK-QFIPXVFZSA-N 0 0 420.559 5.611 50 0 HKAARN Cc1nc(COc2cccc(C(=O)N[C@@H](c3cccs3)c3ccccc3)c2)cs1 ZINC000016708914 558801755 /nfs/dbraw/zinc/80/17/55/558801755.db2.gz WMSWPWYFBNKCCK-JOCHJYFZSA-N 0 0 420.559 5.611 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2-c2cccc(C)c2C)cc1 ZINC000016711441 569261340 /nfs/dbraw/zinc/26/13/40/569261340.db2.gz RJYAVINSBDCSJS-RQZHXJHFSA-N 0 0 414.574 6.680 50 0 HKAARN C[C@@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000016712745 558801866 /nfs/dbraw/zinc/80/18/66/558801866.db2.gz ALZDHBBYPLYFCI-HDICACEKSA-N 0 0 400.501 5.709 50 0 HKAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016712818 558801852 /nfs/dbraw/zinc/80/18/52/558801852.db2.gz APJYHERCIDOZRE-CALCHBBNSA-N 0 0 418.928 5.355 50 0 HKAARN C[C@@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000016712820 558801846 /nfs/dbraw/zinc/80/18/46/558801846.db2.gz MRFTYVLARGHQCE-HDICACEKSA-N 0 0 416.956 6.223 50 0 HKAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000016712831 132464231 /nfs/dbraw/zinc/46/42/31/132464231.db2.gz RNEFFOIJRPZVFW-CALCHBBNSA-N 0 0 418.928 5.355 50 0 HKAARN C[C@@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000016712833 558801831 /nfs/dbraw/zinc/80/18/31/558801831.db2.gz CCCAKUMDNMGWBG-HDICACEKSA-N 0 0 416.956 6.223 50 0 HKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016712838 558801905 /nfs/dbraw/zinc/80/19/05/558801905.db2.gz IUXVSJBKGZUBPX-KDURUIRLSA-N 0 0 412.537 5.578 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000016713466 558802025 /nfs/dbraw/zinc/80/20/25/558802025.db2.gz UIUOFKNLYGJOHL-UHFFFAOYSA-N 0 0 422.600 6.267 50 0 HKAARN CC(C)Cc1nnc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)s1 ZINC000016734427 558802507 /nfs/dbraw/zinc/80/25/07/558802507.db2.gz RCLQKUYLCQTVNE-UHFFFAOYSA-N 0 0 420.774 6.164 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000016739442 558803010 /nfs/dbraw/zinc/80/30/10/558803010.db2.gz RCKANDCEXXTAHE-XUZZJYLKSA-N 0 0 406.432 5.606 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 ZINC000016739443 558802979 /nfs/dbraw/zinc/80/29/79/558802979.db2.gz LLRGCXNJMOOSRO-NZQKXSOJSA-N 0 0 405.885 5.376 50 0 HKAARN Brc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 ZINC000016739855 558803096 /nfs/dbraw/zinc/80/30/96/558803096.db2.gz NOBABJIHIKGQQB-GYHWCHFESA-N 0 0 421.363 6.260 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccccc3)cn12 ZINC000016740404 569262060 /nfs/dbraw/zinc/26/20/60/569262060.db2.gz XKLNXCWQSZJJIS-UHFFFAOYSA-N 0 0 412.312 5.386 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740444 569262053 /nfs/dbraw/zinc/26/20/53/569262053.db2.gz JBSLFFOMUHOYFG-UHFFFAOYSA-N 0 0 404.267 5.312 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000016741504 558803759 /nfs/dbraw/zinc/80/37/59/558803759.db2.gz PZBXHTVPYKNUTH-AWEZNQCLSA-N 0 0 421.399 5.348 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(C)cc2)cc1Cl ZINC000016741636 558803686 /nfs/dbraw/zinc/80/36/86/558803686.db2.gz ZKIYSABWJXGXLH-LCUIJRPUSA-N 0 0 420.965 6.468 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1Cl ZINC000016741642 558803699 /nfs/dbraw/zinc/80/36/99/558803699.db2.gz KTTFTFCWCUYKKW-LCUIJRPUSA-N 0 0 420.965 6.354 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1Cl ZINC000016741643 558803758 /nfs/dbraw/zinc/80/37/58/558803758.db2.gz GLRJFUJMZBHHFK-BZZOAKBMSA-N 0 0 406.938 6.159 50 0 HKAARN CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016741664 558803751 /nfs/dbraw/zinc/80/37/51/558803751.db2.gz IYAYYDPNAUIQSB-DEOSSOPVSA-N 0 0 424.500 5.425 50 0 HKAARN CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000016741665 558803755 /nfs/dbraw/zinc/80/37/55/558803755.db2.gz IYAYYDPNAUIQSB-XMMPIXPASA-N 0 0 424.500 5.425 50 0 HKAARN Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)nc1 ZINC000016741745 558803789 /nfs/dbraw/zinc/80/37/89/558803789.db2.gz FTJAIPHETGDONX-QFIPXVFZSA-N 0 0 414.436 5.002 50 0 HKAARN Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)nc1 ZINC000016741746 558803783 /nfs/dbraw/zinc/80/37/83/558803783.db2.gz FTJAIPHETGDONX-JOCHJYFZSA-N 0 0 414.436 5.002 50 0 HKAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000016741766 558803745 /nfs/dbraw/zinc/80/37/45/558803745.db2.gz BSDNIJURQHXPFW-FQEVSTJZSA-N 0 0 405.837 5.093 50 0 HKAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000016741767 558803691 /nfs/dbraw/zinc/80/36/91/558803691.db2.gz BSDNIJURQHXPFW-HXUWFJFHSA-N 0 0 405.837 5.093 50 0 HKAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000016741862 558803825 /nfs/dbraw/zinc/80/38/25/558803825.db2.gz MJXDYQOCCHTMFH-DEOSSOPVSA-N 0 0 409.485 5.409 50 0 HKAARN CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000016741863 558803807 /nfs/dbraw/zinc/80/38/07/558803807.db2.gz MJXDYQOCCHTMFH-XMMPIXPASA-N 0 0 409.485 5.409 50 0 HKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1Cl ZINC000016742102 558804051 /nfs/dbraw/zinc/80/40/51/558804051.db2.gz VDMATMYQIXOIOW-LVWGJNHUSA-N 0 0 407.926 5.554 50 0 HKAARN COc1ccc(-c2cc(OC(=O)/C=C/c3ccccc3)cc3sc(=O)oc32)cc1 ZINC000016742522 558804168 /nfs/dbraw/zinc/80/41/68/558804168.db2.gz OWCPAGWDHVWHGD-KPKJPENVSA-N 0 0 404.443 5.149 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(F)cc1 ZINC000016749682 558804399 /nfs/dbraw/zinc/80/43/99/558804399.db2.gz RTRZZCNRHUCLTN-UHFFFAOYSA-N 0 0 418.405 5.293 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1CCc1ccccc1 ZINC000016749754 558804424 /nfs/dbraw/zinc/80/44/24/558804424.db2.gz AXRBOOACTMEKMV-QFIPXVFZSA-N 0 0 415.876 5.234 50 0 HKAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1CCc1ccccc1 ZINC000016749757 558804487 /nfs/dbraw/zinc/80/44/87/558804487.db2.gz AXRBOOACTMEKMV-JOCHJYFZSA-N 0 0 415.876 5.234 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(C)cc1 ZINC000016750719 558804593 /nfs/dbraw/zinc/80/45/93/558804593.db2.gz PKFOARPBBNOOPR-UHFFFAOYSA-N 0 0 414.442 5.462 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)sc1C ZINC000016750800 558804595 /nfs/dbraw/zinc/80/45/95/558804595.db2.gz UPRBYEZBUJRDCQ-IBGZPJMESA-N 0 0 420.465 5.064 50 0 HKAARN Cc1nc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C)cc2)sc1C ZINC000016750802 558804569 /nfs/dbraw/zinc/80/45/69/558804569.db2.gz UPRBYEZBUJRDCQ-LJQANCHMSA-N 0 0 420.465 5.064 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 ZINC000016750893 558804698 /nfs/dbraw/zinc/80/46/98/558804698.db2.gz OKOKZOAPGVBBQB-UHFFFAOYSA-N 0 0 410.794 5.092 50 0 HKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016751059 558804720 /nfs/dbraw/zinc/80/47/20/558804720.db2.gz WPFIBIIDMXKFQY-QHCPKHFHSA-N 0 0 411.457 5.541 50 0 HKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016751062 558804685 /nfs/dbraw/zinc/80/46/85/558804685.db2.gz WPFIBIIDMXKFQY-HSZRJFAPSA-N 0 0 411.457 5.541 50 0 HKAARN CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 ZINC000016751088 558804723 /nfs/dbraw/zinc/80/47/23/558804723.db2.gz KDODJVQSFDNXKV-QHCPKHFHSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 ZINC000016751090 558804660 /nfs/dbraw/zinc/80/46/60/558804660.db2.gz KDODJVQSFDNXKV-HSZRJFAPSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 ZINC000016751169 558804740 /nfs/dbraw/zinc/80/47/40/558804740.db2.gz RXIVCVWSPOPXEA-QFIPXVFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 ZINC000016751172 558804743 /nfs/dbraw/zinc/80/47/43/558804743.db2.gz RXIVCVWSPOPXEA-JOCHJYFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000016751237 558804674 /nfs/dbraw/zinc/80/46/74/558804674.db2.gz YYPFZAXAVVTSLU-QFIPXVFZSA-N 0 0 405.494 5.173 50 0 HKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000016751240 558804692 /nfs/dbraw/zinc/80/46/92/558804692.db2.gz YYPFZAXAVVTSLU-JOCHJYFZSA-N 0 0 405.494 5.173 50 0 HKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 ZINC000016751254 558804708 /nfs/dbraw/zinc/80/47/08/558804708.db2.gz TYUDKWXTUVFKIG-QFIPXVFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 ZINC000016751257 558804688 /nfs/dbraw/zinc/80/46/88/558804688.db2.gz TYUDKWXTUVFKIG-JOCHJYFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000016751411 558804869 /nfs/dbraw/zinc/80/48/69/558804869.db2.gz LILZZQQTJVMYNJ-UHFFFAOYSA-N 0 0 410.248 5.557 50 0 HKAARN COc1ccc(/C=C/C(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)cc1 ZINC000016751529 558804910 /nfs/dbraw/zinc/80/49/10/558804910.db2.gz MKULSZIZDYQAGB-FMIVXFBMSA-N 0 0 404.443 5.149 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccccc1Cl ZINC000016751557 558804880 /nfs/dbraw/zinc/80/48/80/558804880.db2.gz YTDBXMQFRARNPY-UHFFFAOYSA-N 0 0 420.833 5.499 50 0 HKAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 ZINC000016751975 558804990 /nfs/dbraw/zinc/80/49/90/558804990.db2.gz OFEXJNUNNIPGNC-QHCPKHFHSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 ZINC000016751978 558805019 /nfs/dbraw/zinc/80/50/19/558805019.db2.gz OFEXJNUNNIPGNC-HSZRJFAPSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000016751986 558804999 /nfs/dbraw/zinc/80/49/99/558804999.db2.gz BVMZFSYEUUXDEF-QHCPKHFHSA-N 0 0 419.521 5.563 50 0 HKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000016751988 558804989 /nfs/dbraw/zinc/80/49/89/558804989.db2.gz BVMZFSYEUUXDEF-HSZRJFAPSA-N 0 0 419.521 5.563 50 0 HKAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 ZINC000016751991 558805046 /nfs/dbraw/zinc/80/50/46/558805046.db2.gz TWTKRZTUVGIGTL-QFIPXVFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 ZINC000016751994 558805006 /nfs/dbraw/zinc/80/50/06/558805006.db2.gz TWTKRZTUVGIGTL-JOCHJYFZSA-N 0 0 405.494 5.317 50 0 HKAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 ZINC000016752003 558805021 /nfs/dbraw/zinc/80/50/21/558805021.db2.gz HKMVJMXBFPHMDV-QHCPKHFHSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 ZINC000016752006 558805013 /nfs/dbraw/zinc/80/50/13/558805013.db2.gz HKMVJMXBFPHMDV-HSZRJFAPSA-N 0 0 419.521 5.707 50 0 HKAARN CCCCC1CCC(NC(=O)c2nonc2-c2ccc(OCC)c(OCC)c2)CC1 ZINC000016752240 558805128 /nfs/dbraw/zinc/80/51/28/558805128.db2.gz JYMIVXSMTIMGGC-UHFFFAOYSA-N 0 0 415.534 5.013 50 0 HKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1Cl ZINC000016752514 558805124 /nfs/dbraw/zinc/80/51/24/558805124.db2.gz HFKRNNLROPUHQM-UHFFFAOYSA-N 0 0 401.293 5.634 50 0 HKAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccc(C)cc1 ZINC000016752535 558805106 /nfs/dbraw/zinc/80/51/06/558805106.db2.gz LONAQKJINQLDKP-UHFFFAOYSA-N 0 0 414.442 5.077 50 0 HKAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCc1ccccc1 ZINC000016752562 558805084 /nfs/dbraw/zinc/80/50/84/558805084.db2.gz NUCHCDAKVWMDKI-UHFFFAOYSA-N 0 0 422.421 5.142 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2cccs2)oc1NCc1ccc(F)cc1 ZINC000016753030 558805307 /nfs/dbraw/zinc/80/53/07/558805307.db2.gz CPIZHJLKXROYQH-UHFFFAOYSA-N 0 0 410.407 5.046 50 0 HKAARN COc1ccc(OC)c(NC(=O)NC23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 ZINC000016754029 569262477 /nfs/dbraw/zinc/26/24/77/569262477.db2.gz FNGCHFRKGHCKDW-GBXBDOIYSA-N 0 0 420.553 5.424 50 0 HKAARN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@@H]2CC[C@@H](C)C[C@@H]32)c1 ZINC000016754174 569262474 /nfs/dbraw/zinc/26/24/74/569262474.db2.gz GDPWCXPDRURPNU-DJIMGWMZSA-N 0 0 416.612 5.261 50 0 HKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000016756268 558805818 /nfs/dbraw/zinc/80/58/18/558805818.db2.gz VHXPHTAYKOMOBK-UHFFFAOYSA-N 0 0 400.866 5.066 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000016758696 558806124 /nfs/dbraw/zinc/80/61/24/558806124.db2.gz CZRHEJYNSYDFIT-NZQKXSOJSA-N 0 0 405.885 5.376 50 0 HKAARN CCc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 ZINC000016769540 558806359 /nfs/dbraw/zinc/80/63/59/558806359.db2.gz XNJGNURZUJNERK-UHFFFAOYSA-N 0 0 423.321 5.537 50 0 HKAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H](C)N1CCCCC1)c1ccccc1 ZINC000016776800 558806423 /nfs/dbraw/zinc/80/64/23/558806423.db2.gz AGMMRIRPIIIXPX-HXUWFJFHSA-N 0 0 404.558 5.025 50 0 HKAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H](C)N1CCCCC1)c1ccccc1 ZINC000016776802 558806329 /nfs/dbraw/zinc/80/63/29/558806329.db2.gz AGMMRIRPIIIXPX-FQEVSTJZSA-N 0 0 404.558 5.025 50 0 HKAARN CC[C@H]1c2ccsc2CCN1C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000016778287 558806568 /nfs/dbraw/zinc/80/65/68/558806568.db2.gz IRBDQKHWDGPAIN-INIZCTEOSA-N 0 0 406.345 5.010 50 0 HKAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000016778289 558806562 /nfs/dbraw/zinc/80/65/62/558806562.db2.gz IRBDQKHWDGPAIN-MRXNPFEDSA-N 0 0 406.345 5.010 50 0 HKAARN Cc1sc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1-c1ccc(Cl)cc1 ZINC000016778824 569262830 /nfs/dbraw/zinc/26/28/30/569262830.db2.gz BFCNIWGEGKEVAG-UHFFFAOYSA-N 0 0 419.859 7.083 50 0 HKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000016780484 558806754 /nfs/dbraw/zinc/80/67/54/558806754.db2.gz RPCNDQUVQQIIKS-UHFFFAOYSA-N 0 0 424.547 5.471 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)sc2c1 ZINC000016780486 558806777 /nfs/dbraw/zinc/80/67/77/558806777.db2.gz YSZUAIKMUUHLLH-UHFFFAOYSA-N 0 0 412.511 5.520 50 0 HKAARN Brc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC000016788577 558807051 /nfs/dbraw/zinc/80/70/51/558807051.db2.gz RDZOUTPEEQHWFD-UHFFFAOYSA-N 0 0 416.300 5.234 50 0 HKAARN O=C(/C=C/c1ccccc1)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000016790438 558807202 /nfs/dbraw/zinc/80/72/02/558807202.db2.gz TUYHAQLWLNYJGE-SIFUEBAJSA-N 0 0 405.108 5.245 50 0 HKAARN O=C(/C=C/c1ccccc1)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000016790439 558807262 /nfs/dbraw/zinc/80/72/62/558807262.db2.gz TUYHAQLWLNYJGE-OFAQMXQXSA-N 0 0 405.108 5.245 50 0 HKAARN O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1c1ccccc1 ZINC000016790634 569263193 /nfs/dbraw/zinc/26/31/93/569263193.db2.gz CGNNPXFTDUQHCC-GZTJUZNOSA-N 0 0 415.301 5.516 50 0 HKAARN CC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000016798776 558807323 /nfs/dbraw/zinc/80/73/23/558807323.db2.gz CQMPHSCUWZCHMQ-SJORKVTESA-N 0 0 423.582 5.610 50 0 HKAARN CC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000016798777 558807389 /nfs/dbraw/zinc/80/73/89/558807389.db2.gz CQMPHSCUWZCHMQ-IRXDYDNUSA-N 0 0 423.582 5.610 50 0 HKAARN CC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000016798778 558807332 /nfs/dbraw/zinc/80/73/32/558807332.db2.gz CQMPHSCUWZCHMQ-IAGOWNOFSA-N 0 0 423.582 5.610 50 0 HKAARN CC[C@H](C)n1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000016798779 558807400 /nfs/dbraw/zinc/80/74/00/558807400.db2.gz CQMPHSCUWZCHMQ-DLBZAZTESA-N 0 0 423.582 5.610 50 0 HKAARN COc1ccc(-c2cs/c(=N/C(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000016805999 558807546 /nfs/dbraw/zinc/80/75/46/558807546.db2.gz QSLPRFPNQWLCBJ-WJTDDFOZSA-N 0 0 420.921 5.609 50 0 HKAARN COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1Cl ZINC000016806292 558807537 /nfs/dbraw/zinc/80/75/37/558807537.db2.gz STTASLDLLFKAFK-UHFFFAOYSA-N 0 0 406.806 5.027 50 0 HKAARN CCOP(=O)(OCC)c1nc(-c2ccco2)oc1NCc1ccccc1Cl ZINC000016806297 558807540 /nfs/dbraw/zinc/80/75/40/558807540.db2.gz IGQXOPMDLHLCBN-UHFFFAOYSA-N 0 0 410.794 5.092 50 0 HKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000016806360 558807498 /nfs/dbraw/zinc/80/74/98/558807498.db2.gz ZSWWEVSRKWXTNN-SFHVURJKSA-N 0 0 402.277 5.445 50 0 HKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000016806362 558807496 /nfs/dbraw/zinc/80/74/96/558807496.db2.gz ZSWWEVSRKWXTNN-GOSISDBHSA-N 0 0 402.277 5.445 50 0 HKAARN COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 ZINC000016806383 558807548 /nfs/dbraw/zinc/80/75/48/558807548.db2.gz IXIBCHLRZIMGHT-UHFFFAOYSA-N 0 0 406.806 5.027 50 0 HKAARN CCCSc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000016806516 558807641 /nfs/dbraw/zinc/80/76/41/558807641.db2.gz DAKGQGGBEKFVJL-UHFFFAOYSA-N 0 0 410.248 5.557 50 0 HKAARN CC(=O)Nc1s/c(=N\c2ccccc2)n(Cc2ccc(C)cc2)c1-c1cccs1 ZINC000016806634 558807662 /nfs/dbraw/zinc/80/76/62/558807662.db2.gz INIDYFVJNBDNTR-BZZOAKBMSA-N 0 0 419.575 5.826 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1Cl ZINC000016807814 558807800 /nfs/dbraw/zinc/80/78/00/558807800.db2.gz VAJUBKNGVWVTOP-UHFFFAOYSA-N 0 0 406.294 5.779 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(-c3cccs3)o2)o1 ZINC000016808757 558807789 /nfs/dbraw/zinc/80/77/89/558807789.db2.gz 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ZINC000016838431 569264071 /nfs/dbraw/zinc/26/40/71/569264071.db2.gz GFNSKEAIQGHLIJ-UHFFFAOYSA-N 0 0 423.538 6.016 50 0 HKAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000016838750 569264202 /nfs/dbraw/zinc/26/42/02/569264202.db2.gz ULGLYIPSSRKFIQ-CSKARUKUSA-N 0 0 421.547 5.316 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000016840026 569264392 /nfs/dbraw/zinc/26/43/92/569264392.db2.gz IOIWFABSEQLRIK-UHFFFAOYSA-N 0 0 424.504 5.100 50 0 HKAARN Cc1oc(-c2ccccc2C)nc1Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000016840044 569264455 /nfs/dbraw/zinc/26/44/55/569264455.db2.gz RZNXSMFNBZRFTG-UHFFFAOYSA-N 0 0 424.504 5.100 50 0 HKAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1 ZINC000016840091 569264401 /nfs/dbraw/zinc/26/44/01/569264401.db2.gz PZKPOBYXEWRSEJ-UHFFFAOYSA-N 0 0 424.504 5.046 50 0 HKAARN CCN(CC)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000016840588 569264386 /nfs/dbraw/zinc/26/43/86/569264386.db2.gz VRFICSHFXGWXGP-UHFFFAOYSA-N 0 0 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ZINC000016992218 569270601 /nfs/dbraw/zinc/27/06/01/569270601.db2.gz TYMSTTYOJHOAHG-UHFFFAOYSA-N 0 0 408.420 5.249 50 0 HKAARN COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccc(F)cc4)nn3)s2)c1 ZINC000016992236 569270582 /nfs/dbraw/zinc/27/05/82/569270582.db2.gz LJDAAEHYVFWOFJ-UHFFFAOYSA-N 0 0 423.538 6.016 50 0 HKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc(Cl)c2)nn1 ZINC000016992409 569270594 /nfs/dbraw/zinc/27/05/94/569270594.db2.gz NZWPAUGRZJNCJI-UHFFFAOYSA-N 0 0 415.996 6.583 50 0 HKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccc2Cl)nn1 ZINC000016992418 569270620 /nfs/dbraw/zinc/27/06/20/569270620.db2.gz NWKFGIQRTACHDQ-UHFFFAOYSA-N 0 0 415.996 6.583 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000016992454 569270592 /nfs/dbraw/zinc/27/05/92/569270592.db2.gz VACNRROAFJFDHH-UHFFFAOYSA-N 0 0 415.877 5.425 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992457 569270628 /nfs/dbraw/zinc/27/06/28/569270628.db2.gz QDSSHAUUQUGITG-UHFFFAOYSA-N 0 0 403.841 5.555 50 0 HKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992475 569270583 /nfs/dbraw/zinc/27/05/83/569270583.db2.gz UQAMMSHWSOXYSS-UHFFFAOYSA-N 0 0 419.403 5.781 50 0 HKAARN Cc1c(C(=O)Nc2cccc3ccccc32)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992484 569270600 /nfs/dbraw/zinc/27/06/00/569270600.db2.gz SFCLUHDBSYDRNL-UHFFFAOYSA-N 0 0 401.466 5.916 50 0 HKAARN Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccccc3)cn12 ZINC000016992608 569270713 /nfs/dbraw/zinc/27/07/13/569270713.db2.gz AXOKKPPBTMVSDB-UHFFFAOYSA-N 0 0 415.562 5.466 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3ccccc3)cn12 ZINC000016992642 569270736 /nfs/dbraw/zinc/27/07/36/569270736.db2.gz JEMBBUHLCXZQJR-UHFFFAOYSA-N 0 0 401.413 5.642 50 0 HKAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccccc3)cn12 ZINC000016992645 569270720 /nfs/dbraw/zinc/27/07/20/569270720.db2.gz RBMZOEUSSCNUAR-UHFFFAOYSA-N 0 0 401.413 5.642 50 0 HKAARN Cc1c2cc(NC(=O)c3ccccc3F)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000016993225 569270841 /nfs/dbraw/zinc/27/08/41/569270841.db2.gz YAQYQHHHFAGLHX-UHFFFAOYSA-N 0 0 407.828 6.017 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)c1 ZINC000016993236 569270924 /nfs/dbraw/zinc/27/09/24/569270924.db2.gz ADSTUOKEJAPVKR-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)c1 ZINC000016993266 569270919 /nfs/dbraw/zinc/27/09/19/569270919.db2.gz UUCFTUUCVPGXFP-UHFFFAOYSA-N 0 0 415.445 5.242 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c(C)c1 ZINC000016994029 558811153 /nfs/dbraw/zinc/81/11/53/558811153.db2.gz SKKBKQNWOJUSEX-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)c1 ZINC000016994098 569270708 /nfs/dbraw/zinc/27/07/08/569270708.db2.gz MKRCWQOQOBSUHK-UHFFFAOYSA-N 0 0 413.930 5.155 50 0 HKAARN O=C(COc1cccc(Cl)c1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000016995872 558811356 /nfs/dbraw/zinc/81/13/56/558811356.db2.gz KEQJXECGNPEVOZ-UHFFFAOYSA-N 0 0 423.719 5.244 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000016996023 558811329 /nfs/dbraw/zinc/81/13/29/558811329.db2.gz LWVPNQSYGOELQG-UHFFFAOYSA-N 0 0 411.596 5.699 50 0 HKAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000016996277 558811335 /nfs/dbraw/zinc/81/13/35/558811335.db2.gz JSDXTBLYTFOUNR-UHFFFAOYSA-N 0 0 409.449 5.711 50 0 HKAARN C(=C/c1nc2ccccc2nc1/C=C\c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 ZINC000016997742 569271161 /nfs/dbraw/zinc/27/11/61/569271161.db2.gz XKMWKAGCTDZLLN-VTBWALSUSA-N 0 0 422.440 5.428 50 0 HKAARN Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)c1 ZINC000017010599 132464584 /nfs/dbraw/zinc/46/45/84/132464584.db2.gz LYBKMGIIPTZZDW-QGZVFWFLSA-N 0 0 403.526 5.105 50 0 HKAARN Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)c1 ZINC000017010602 569271235 /nfs/dbraw/zinc/27/12/35/569271235.db2.gz LYBKMGIIPTZZDW-KRWDZBQOSA-N 0 0 403.526 5.105 50 0 HKAARN Cc1cc(C)cc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010813 558811548 /nfs/dbraw/zinc/81/15/48/558811548.db2.gz FBRDWIRLEXOWCB-UHFFFAOYSA-N 0 0 412.541 5.412 50 0 HKAARN Cc1cc(C)cc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010819 558811485 /nfs/dbraw/zinc/81/14/85/558811485.db2.gz HEIYBJFYALVLIK-QGZVFWFLSA-N 0 0 412.541 5.412 50 0 HKAARN Cc1cc(C)cc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010822 558811495 /nfs/dbraw/zinc/81/14/95/558811495.db2.gz HEIYBJFYALVLIK-KRWDZBQOSA-N 0 0 412.541 5.412 50 0 HKAARN Cc1cc(C)cc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010878 558811693 /nfs/dbraw/zinc/81/16/93/558811693.db2.gz OTOPOGQARWQOEB-UHFFFAOYSA-N 0 0 420.520 5.788 50 0 HKAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012030 569271427 /nfs/dbraw/zinc/27/14/27/569271427.db2.gz NJCKLAIDOLOTPP-UHFFFAOYSA-N 0 0 414.943 5.200 50 0 HKAARN Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012045 569271376 /nfs/dbraw/zinc/27/13/76/569271376.db2.gz UMIXPRCNOGYVNV-UHFFFAOYSA-N 0 0 418.906 5.411 50 0 HKAARN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012055 569271423 /nfs/dbraw/zinc/27/14/23/569271423.db2.gz JTECXGLBWUJHJQ-UHFFFAOYSA-N 0 0 406.492 5.364 50 0 HKAARN CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 ZINC000017012069 569271439 /nfs/dbraw/zinc/27/14/39/569271439.db2.gz UYIZQGDEAHAWRB-UHFFFAOYSA-N 0 0 412.565 5.340 50 0 HKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1 ZINC000017012962 569271350 /nfs/dbraw/zinc/27/13/50/569271350.db2.gz NPMPRTHKXYFBQE-UHFFFAOYSA-N 0 0 405.502 5.265 50 0 HKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)n1 ZINC000017013005 569271371 /nfs/dbraw/zinc/27/13/71/569271371.db2.gz UVISILJXIJZCOP-UHFFFAOYSA-N 0 0 401.514 5.791 50 0 HKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC(C)C)cc3)n2)cc1 ZINC000017013025 569271386 /nfs/dbraw/zinc/27/13/86/569271386.db2.gz WGUZVVHBZUXXOQ-UHFFFAOYSA-N 0 0 405.502 5.265 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 ZINC000017013048 569271404 /nfs/dbraw/zinc/27/14/04/569271404.db2.gz 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ZINC000017013166 569271697 /nfs/dbraw/zinc/27/16/97/569271697.db2.gz ZDFZWCAOIFFWLE-UHFFFAOYSA-N 0 0 402.502 5.163 50 0 HKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000017013191 569271766 /nfs/dbraw/zinc/27/17/66/569271766.db2.gz CNDBXTACUGUBAM-UHFFFAOYSA-N 0 0 423.467 5.049 50 0 HKAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000017013289 569271786 /nfs/dbraw/zinc/27/17/86/569271786.db2.gz KBLHXYNZRCGESF-UHFFFAOYSA-N 0 0 403.530 5.144 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000017013327 558811682 /nfs/dbraw/zinc/81/16/82/558811682.db2.gz GIFAGLWMDWHWAP-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000017013352 569271785 /nfs/dbraw/zinc/27/17/85/569271785.db2.gz JEVURJBTUXLCLJ-UHFFFAOYSA-N 0 0 413.456 5.664 50 0 HKAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013375 569271644 /nfs/dbraw/zinc/27/16/44/569271644.db2.gz PZEISURONIBDQZ-UHFFFAOYSA-N 0 0 423.520 5.514 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000017013561 569271752 /nfs/dbraw/zinc/27/17/52/569271752.db2.gz BEQXSULNZDWYJR-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000017013599 569271778 /nfs/dbraw/zinc/27/17/78/569271778.db2.gz WHKYFFWRQSTKLR-UHFFFAOYSA-N 0 0 415.453 5.126 50 0 HKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000017013612 569271784 /nfs/dbraw/zinc/27/17/84/569271784.db2.gz XZKGVGOPVVFYEJ-UHFFFAOYSA-N 0 0 401.495 5.586 50 0 HKAARN CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000017014307 569357219 /nfs/dbraw/zinc/35/72/19/569357219.db2.gz RCXPTZJNVLDKKV-RSRLPKQESA-N 0 0 400.691 8.043 50 0 HKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000017016549 558811875 /nfs/dbraw/zinc/81/18/75/558811875.db2.gz PSUGGUPTLVDAIK-UHFFFAOYSA-N 0 0 424.378 5.709 50 0 HKAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)c(C)c1 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422.941 5.397 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000017026349 569271846 /nfs/dbraw/zinc/27/18/46/569271846.db2.gz FTGGHBPIXJQRLT-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017041037 569272294 /nfs/dbraw/zinc/27/22/94/569272294.db2.gz KXVSREFWVZBTGW-UHFFFAOYSA-N 0 0 409.493 5.833 50 0 HKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000017041639 558812628 /nfs/dbraw/zinc/81/26/28/558812628.db2.gz XOVQFTFZRFHUPN-UHFFFAOYSA-N 0 0 420.520 5.788 50 0 HKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)cc1 ZINC000017041646 558812632 /nfs/dbraw/zinc/81/26/32/558812632.db2.gz NGXLOMLNAJTTKN-UHFFFAOYSA-N 0 0 424.483 5.619 50 0 HKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3cccc(C)c3)n2)cc1 ZINC000017041649 558812616 /nfs/dbraw/zinc/81/26/16/558812616.db2.gz FFXWLMWKMNOLOP-UHFFFAOYSA-N 0 0 420.520 5.788 50 0 HKAARN Cc1ccc(CNc2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3C)n2)cc1 ZINC000017041651 558812587 /nfs/dbraw/zinc/81/25/87/558812587.db2.gz WCJNJGVDDFPVJJ-UHFFFAOYSA-N 0 0 420.520 5.788 50 0 HKAARN COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccc(C)cc4)nn3)s2)c1 ZINC000017041786 569272252 /nfs/dbraw/zinc/27/22/52/569272252.db2.gz FXIHUKZPHUGCQU-UHFFFAOYSA-N 0 0 419.575 6.185 50 0 HKAARN Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2C)cc1 ZINC000017041797 569272240 /nfs/dbraw/zinc/27/22/40/569272240.db2.gz UWUPAFSYANTJLG-UHFFFAOYSA-N 0 0 411.577 5.116 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000017042116 558812653 /nfs/dbraw/zinc/81/26/53/558812653.db2.gz CFPKAUZMRAULCT-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042444 558812660 /nfs/dbraw/zinc/81/26/60/558812660.db2.gz AIRFHBXKYGTEBJ-UHFFFAOYSA-N 0 0 412.541 6.002 50 0 HKAARN Cc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042472 558812682 /nfs/dbraw/zinc/81/26/82/558812682.db2.gz DQLBQEIAPKQACT-UHFFFAOYSA-N 0 0 424.552 6.170 50 0 HKAARN Cc1ccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042480 558812656 /nfs/dbraw/zinc/81/26/56/558812656.db2.gz KMWICTAHHZNLII-UHFFFAOYSA-N 0 0 416.529 5.095 50 0 HKAARN Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042501 558812600 /nfs/dbraw/zinc/81/26/00/558812600.db2.gz NLNQPGXRYNUCDY-UHFFFAOYSA-N 0 0 420.520 5.522 50 0 HKAARN Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042505 558812597 /nfs/dbraw/zinc/81/25/97/558812597.db2.gz LBZXQBROSBCAAL-UHFFFAOYSA-N 0 0 424.483 5.619 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1 ZINC000017042736 569272419 /nfs/dbraw/zinc/27/24/19/569272419.db2.gz LOHPSUPLSPOUTP-UHFFFAOYSA-N 0 0 415.541 6.099 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1 ZINC000017042744 569272394 /nfs/dbraw/zinc/27/23/94/569272394.db2.gz KWEMHGUVDRBGLX-UHFFFAOYSA-N 0 0 415.541 6.099 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 ZINC000017042816 569272384 /nfs/dbraw/zinc/27/23/84/569272384.db2.gz ZSOCFPPGRQSDJV-UHFFFAOYSA-N 0 0 409.493 5.833 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccccc4C)cc3)n2)cc1 ZINC000017042818 569272176 /nfs/dbraw/zinc/27/21/76/569272176.db2.gz SGXJWJJYYBAIOU-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccs4)cc3)n2)cc1 ZINC000017042825 569272045 /nfs/dbraw/zinc/27/20/45/569272045.db2.gz KEPGYLHLTWCYEC-UHFFFAOYSA-N 0 0 415.522 5.894 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2SCc2ccccc2)s1)Nc1ccccc1 ZINC000017044247 558812824 /nfs/dbraw/zinc/81/28/24/558812824.db2.gz FNVICXXIULKPIT-UHFFFAOYSA-N 0 0 418.547 6.141 50 0 HKAARN CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000017044297 558812761 /nfs/dbraw/zinc/81/27/61/558812761.db2.gz OJEULSZPDVRSKC-UHFFFAOYSA-N 0 0 409.298 5.555 50 0 HKAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)Nc1cccc(Cl)c1 ZINC000017044662 558812743 /nfs/dbraw/zinc/81/27/43/558812743.db2.gz BNBHVNHJKNQQRD-UHFFFAOYSA-N 0 0 409.696 5.265 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2Br)s1)C12CC3CC(CC(C3)C1)C2 ZINC000017045182 558812957 /nfs/dbraw/zinc/81/29/57/558812957.db2.gz MIZLCDVNRUUGQF-UHFFFAOYSA-N 0 0 418.360 5.123 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)c(Cl)c3)s2)cc1C ZINC000017045458 558812935 /nfs/dbraw/zinc/81/29/35/558812935.db2.gz LXLWZBXILJEKRY-UHFFFAOYSA-N 0 0 407.326 5.697 50 0 HKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 ZINC000017045671 558812953 /nfs/dbraw/zinc/81/29/53/558812953.db2.gz DXKDLYKJPPTFLA-CQSZACIVSA-N 0 0 412.515 5.283 50 0 HKAARN CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 ZINC000017045674 558812972 /nfs/dbraw/zinc/81/29/72/558812972.db2.gz DXKDLYKJPPTFLA-AWEZNQCLSA-N 0 0 412.515 5.283 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1c2ccccc2C(=O)c2ccccc21 ZINC000017045780 558813008 /nfs/dbraw/zinc/81/30/08/558813008.db2.gz QHSUKIZGDGHFIE-UHFFFAOYSA-N 0 0 414.461 5.264 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000017045857 558812947 /nfs/dbraw/zinc/81/29/47/558812947.db2.gz MVFSTYUQVBVRDY-UHFFFAOYSA-N 0 0 421.353 6.453 50 0 HKAARN COc1ccccc1NC(=O)Nc1nnc(CSc2ccc(Cl)cc2)s1 ZINC000017045935 558812995 /nfs/dbraw/zinc/81/29/95/558812995.db2.gz JDCAGKJBTGQDHF-UHFFFAOYSA-N 0 0 406.920 5.136 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 ZINC000017051528 558813069 /nfs/dbraw/zinc/81/30/69/558813069.db2.gz PFIVDVKUFXYYNQ-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 ZINC000017051531 558813061 /nfs/dbraw/zinc/81/30/61/558813061.db2.gz IUOAENSDKADXTK-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4C)nccn3n2)cc1 ZINC000017051539 558813098 /nfs/dbraw/zinc/81/30/98/558813098.db2.gz WICKMOOTMYPCQN-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 ZINC000017051542 558813053 /nfs/dbraw/zinc/81/30/53/558813053.db2.gz DKLFWFFNZOSQRJ-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 ZINC000017051567 558813084 /nfs/dbraw/zinc/81/30/84/558813084.db2.gz NJQZUPNAJQHEGQ-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 ZINC000017051570 558813087 /nfs/dbraw/zinc/81/30/87/558813087.db2.gz UXYMPAIYQAKGOU-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 ZINC000017051588 558813074 /nfs/dbraw/zinc/81/30/74/558813074.db2.gz RDSWZOSIMMQKAS-UHFFFAOYSA-N 0 0 416.550 5.559 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 ZINC000017051591 558813111 /nfs/dbraw/zinc/81/31/11/558813111.db2.gz KYWIGZSBCVAZCE-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 ZINC000017051609 558813099 /nfs/dbraw/zinc/81/30/99/558813099.db2.gz QHZMMIKJRKEDOC-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 ZINC000017051611 558813112 /nfs/dbraw/zinc/81/31/12/558813112.db2.gz UVPGAGOGUVMGAQ-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 ZINC000017051640 558813236 /nfs/dbraw/zinc/81/32/36/558813236.db2.gz UCXRWITZHBUTCH-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 ZINC000017051651 558813245 /nfs/dbraw/zinc/81/32/45/558813245.db2.gz YSXQQMBUMUHZGG-UHFFFAOYSA-N 0 0 420.563 5.157 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 ZINC000017051654 558813254 /nfs/dbraw/zinc/81/32/54/558813254.db2.gz BICDGLCOAYVSMR-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 ZINC000017051671 558813234 /nfs/dbraw/zinc/81/32/34/558813234.db2.gz BJIDTIKQTFAXFZ-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000017051871 569272597 /nfs/dbraw/zinc/27/25/97/569272597.db2.gz PPSXAJFFNFXKRZ-UHFFFAOYSA-N 0 0 422.575 5.101 50 0 HKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000017052634 569272643 /nfs/dbraw/zinc/27/26/43/569272643.db2.gz FJABKYJXZJXVKV-UHFFFAOYSA-N 0 0 415.541 5.388 50 0 HKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000017052644 569272642 /nfs/dbraw/zinc/27/26/42/569272642.db2.gz DLKIFUKOMXFBIW-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1C ZINC000017052770 558813227 /nfs/dbraw/zinc/81/32/27/558813227.db2.gz MKLYQDPMNAXZEO-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052908 558813203 /nfs/dbraw/zinc/81/32/03/558813203.db2.gz HQMJNIZPEVILRZ-UHFFFAOYSA-N 0 0 412.541 5.412 50 0 HKAARN Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052982 558813240 /nfs/dbraw/zinc/81/32/40/558813240.db2.gz PHFXJMLMGLTLBO-UHFFFAOYSA-N 0 0 420.520 5.788 50 0 HKAARN Cc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052993 558813220 /nfs/dbraw/zinc/81/32/20/558813220.db2.gz QKIYBINKQVWPJZ-UHFFFAOYSA-N 0 0 421.508 5.183 50 0 HKAARN Cc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052996 558813206 /nfs/dbraw/zinc/81/32/06/558813206.db2.gz SKJZHDPKDOVXLV-UHFFFAOYSA-N 0 0 410.481 5.381 50 0 HKAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1Cl ZINC000017053213 569272612 /nfs/dbraw/zinc/27/26/12/569272612.db2.gz FMDRCVNFBAFEQF-UHFFFAOYSA-N 0 0 402.903 5.351 50 0 HKAARN CC(C)(C)c1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000017056128 558813387 /nfs/dbraw/zinc/81/33/87/558813387.db2.gz SGDLFZFZSGRQFJ-UHFFFAOYSA-N 0 0 416.934 5.712 50 0 HKAARN CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000017056882 558813382 /nfs/dbraw/zinc/81/33/82/558813382.db2.gz OFVZEXQRSPTKJQ-ZDUSSCGKSA-N 0 0 400.479 5.414 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000017056938 558813385 /nfs/dbraw/zinc/81/33/85/558813385.db2.gz HYQCHGORKHPSGR-UHFFFAOYSA-N 0 0 416.934 5.846 50 0 HKAARN O=c1[nH]c(CSCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017057712 558813418 /nfs/dbraw/zinc/81/34/18/558813418.db2.gz RPBHSHBPLYXRCF-UHFFFAOYSA-N 0 0 402.563 5.628 50 0 HKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000017058246 558813316 /nfs/dbraw/zinc/81/33/16/558813316.db2.gz GWEBZKVKRQYVNQ-UHFFFAOYSA-N 0 0 413.717 5.733 50 0 HKAARN O=C(c1ccccc1)[C@H](S[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017058409 569005189 /nfs/dbraw/zinc/00/51/89/569005189.db2.gz RJCISMJZIFOITC-HNRBIFIRSA-N 0 0 422.549 6.968 50 0 HKAARN Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000017058928 558813485 /nfs/dbraw/zinc/81/34/85/558813485.db2.gz VAWWUGFGPMHNLT-UHFFFAOYSA-N 0 0 423.325 5.685 50 0 HKAARN COc1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)cc1 ZINC000017081895 558813811 /nfs/dbraw/zinc/81/38/11/558813811.db2.gz FMMXYWGPEKETDZ-UHFFFAOYSA-N 0 0 400.478 5.291 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)o1 ZINC000017081896 558813825 /nfs/dbraw/zinc/81/38/25/558813825.db2.gz SBYBUNXREQNPNX-UHFFFAOYSA-N 0 0 400.478 5.570 50 0 HKAARN COc1cccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)c1 ZINC000017081899 558813779 /nfs/dbraw/zinc/81/37/79/558813779.db2.gz DKBKFIJRSNGDDW-UHFFFAOYSA-N 0 0 400.478 5.291 50 0 HKAARN COc1ccc(Cn2nc(-c3ccc(OC)cc3)cc2-c2ccc(OC)cc2)cc1 ZINC000017081900 558813796 /nfs/dbraw/zinc/81/37/96/558813796.db2.gz SKSDMEMNENOICZ-UHFFFAOYSA-N 0 0 400.478 5.291 50 0 HKAARN O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CCCCCC1 ZINC000017082015 558813904 /nfs/dbraw/zinc/81/39/04/558813904.db2.gz YFAASMLOCZFWHP-UHFFFAOYSA-N 0 0 400.526 5.192 50 0 HKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=S)NCc1ccccc1 ZINC000017082061 558814067 /nfs/dbraw/zinc/81/40/67/558814067.db2.gz SBYMTEPJQJSQMU-UHFFFAOYSA-N 0 0 400.551 5.188 50 0 HKAARN Cc1sc2[nH]c(=S)n(-c3cc(Cl)ccc3O)c(=O)c2c1-c1ccccc1 ZINC000017082102 558814063 /nfs/dbraw/zinc/81/40/63/558814063.db2.gz ZJANFFPTBFMMIO-UHFFFAOYSA-N 0 0 400.912 5.070 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccc(Cl)cc2)c1-c1ccc(C)c(C)c1 ZINC000017082108 558814052 /nfs/dbraw/zinc/81/40/52/558814052.db2.gz WNDVZMKORFUQSV-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccccc2Cl)c1-c1ccc(C)c(C)c1 ZINC000017082109 558814071 /nfs/dbraw/zinc/81/40/71/558814071.db2.gz OHBGKWRIIDCIHH-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 ZINC000017082110 558814030 /nfs/dbraw/zinc/81/40/30/558814030.db2.gz APHHWVYYXQEFIU-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017082111 558814057 /nfs/dbraw/zinc/81/40/57/558814057.db2.gz RNEGNUSBJYZCFO-UHFFFAOYSA-N 0 0 400.953 7.152 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 ZINC000017082112 558814059 /nfs/dbraw/zinc/81/40/59/558814059.db2.gz HMBFDDOFJYDAAM-UHFFFAOYSA-N 0 0 400.953 7.402 50 0 HKAARN Cc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017082113 558814061 /nfs/dbraw/zinc/81/40/61/558814061.db2.gz URVCWZQEUYUQLB-UHFFFAOYSA-N 0 0 400.953 7.152 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(Cl)cc3)n2)cc1C ZINC000017082114 558814069 /nfs/dbraw/zinc/81/40/69/558814069.db2.gz IRNNNNZRYOYPMX-UHFFFAOYSA-N 0 0 400.953 7.152 50 0 HKAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017082119 558814221 /nfs/dbraw/zinc/81/42/21/558814221.db2.gz HHLRUUPFPXWKDS-UHFFFAOYSA-N 0 0 401.171 5.490 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000017082123 558814196 /nfs/dbraw/zinc/81/41/96/558814196.db2.gz FSYMBBWNLBWSBO-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000017082124 558814218 /nfs/dbraw/zinc/81/42/18/558814218.db2.gz KQIXDVATAMGWCY-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000017082125 558814191 /nfs/dbraw/zinc/81/41/91/558814191.db2.gz SBENNKMARVKBKS-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000017082126 558814219 /nfs/dbraw/zinc/81/42/19/558814219.db2.gz ZXJKHTDACWKEGD-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccc(Cl)cc2Cl)n1 ZINC000017082127 558814193 /nfs/dbraw/zinc/81/41/93/558814193.db2.gz NTRLTOGIZZJRAI-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000017082129 558814222 /nfs/dbraw/zinc/81/42/22/558814222.db2.gz KCWBQBOPZVIOPA-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000017082130 558814201 /nfs/dbraw/zinc/81/42/01/558814201.db2.gz HBGACMGQUYDKDL-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN Fc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000017082131 558814163 /nfs/dbraw/zinc/81/41/63/558814163.db2.gz JXUYOZYDPGVXRZ-UHFFFAOYSA-N 0 0 401.243 6.791 50 0 HKAARN CCN1C(=S)N=NC1c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000017082144 558814207 /nfs/dbraw/zinc/81/42/07/558814207.db2.gz ONTACRZJCCFLDS-UHFFFAOYSA-N 0 0 401.322 5.776 50 0 HKAARN CCN1C(=S)N=NC1c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000017082145 558814215 /nfs/dbraw/zinc/81/42/15/558814215.db2.gz GIKCRTHTXATBBI-UHFFFAOYSA-N 0 0 401.322 5.776 50 0 HKAARN S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000017082150 558814217 /nfs/dbraw/zinc/81/42/17/558814217.db2.gz WOHCXXSYHHLGRL-UHFFFAOYSA-N 0 0 401.362 6.393 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)c3cc(C)ccc3n2)cc1 ZINC000017082300 558814331 /nfs/dbraw/zinc/81/43/31/558814331.db2.gz PIMOXUFBCHJOSM-UHFFFAOYSA-N 0 0 401.897 6.073 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3cc(Cl)ccc3n2)cc1 ZINC000017082302 558814272 /nfs/dbraw/zinc/81/42/72/558814272.db2.gz FCWSZCFVAQKUDX-UHFFFAOYSA-N 0 0 401.897 5.443 50 0 HKAARN O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000017082303 558814265 /nfs/dbraw/zinc/81/42/65/558814265.db2.gz ICHJWBKUBYRSQK-UHFFFAOYSA-N 0 0 401.900 5.336 50 0 HKAARN CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc([C@@H](C)CC)cc1 ZINC000017082311 558814279 /nfs/dbraw/zinc/81/42/79/558814279.db2.gz ZSUHTMILDZBVAM-QXATTWAWSA-N 0 0 401.978 6.505 50 0 HKAARN CC[C@H](C)c1ccc([C@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000017082313 558814251 /nfs/dbraw/zinc/81/42/51/558814251.db2.gz ZSUHTMILDZBVAM-REDKUUPNSA-N 0 0 401.978 6.505 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(F)cc2)c1-c1ccc(OC)cc1 ZINC000017082392 558814434 /nfs/dbraw/zinc/81/44/34/558814434.db2.gz GIIIFVDMKJNEFF-UHFFFAOYSA-N 0 0 402.469 5.925 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000017082449 558814533 /nfs/dbraw/zinc/81/45/33/558814533.db2.gz PEOHWJLBZQXSDA-CALCHBBNSA-N 0 0 402.494 5.076 50 0 HKAARN CC(=O)Nc1ccc(SCC(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000017082503 558814549 /nfs/dbraw/zinc/81/45/49/558814549.db2.gz ILDMTZDOIDRZBM-UHFFFAOYSA-N 0 0 402.519 5.201 50 0 HKAARN CCCCCCNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000017082527 558814696 /nfs/dbraw/zinc/81/46/96/558814696.db2.gz BYYTYHNTAJUMFX-UHFFFAOYSA-N 0 0 402.542 5.485 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCCC[C@@H]1C ZINC000017082543 558814692 /nfs/dbraw/zinc/81/46/92/558814692.db2.gz PDEAOBNKZHADIA-HNNXBMFYSA-N 0 0 402.585 5.087 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCCC[C@H]1C ZINC000017082544 558814698 /nfs/dbraw/zinc/81/46/98/558814698.db2.gz PDEAOBNKZHADIA-OAHLLOKOSA-N 0 0 402.585 5.087 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCCCCC1 ZINC000017082549 558814673 /nfs/dbraw/zinc/81/46/73/558814673.db2.gz PIKKPEONNHAVRU-UHFFFAOYSA-N 0 0 402.585 5.088 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)c1sc2cccc(F)c2c1Cl ZINC000017082555 558814719 /nfs/dbraw/zinc/81/47/19/558814719.db2.gz SJQAUFZOTPRBBT-UHFFFAOYSA-N 0 0 402.647 5.848 50 0 HKAARN COc1cccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)c1 ZINC000017082584 558814753 /nfs/dbraw/zinc/81/47/53/558814753.db2.gz GJGGDDKPSMWGSY-UHFFFAOYSA-N 0 0 402.925 6.544 50 0 HKAARN COc1cccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)c1 ZINC000017082585 558814807 /nfs/dbraw/zinc/81/48/07/558814807.db2.gz MDKPVBFFIBIQOP-UHFFFAOYSA-N 0 0 402.925 6.544 50 0 HKAARN COc1ccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1 ZINC000017082586 558814818 /nfs/dbraw/zinc/81/48/18/558814818.db2.gz HGUJPYCWNYYCHN-UHFFFAOYSA-N 0 0 402.925 6.544 50 0 HKAARN COc1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 ZINC000017082587 558814767 /nfs/dbraw/zinc/81/47/67/558814767.db2.gz IFLMABHYAIMZLC-UHFFFAOYSA-N 0 0 402.925 6.544 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000017082595 558814782 /nfs/dbraw/zinc/81/47/82/558814782.db2.gz JTUSMUKDWDYBOE-FROQITRMSA-N 0 0 402.947 5.057 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1cccnc1Cl ZINC000017082772 558814958 /nfs/dbraw/zinc/81/49/58/558814958.db2.gz GMJVYZQDAIENDZ-UHFFFAOYSA-N 0 0 403.916 5.059 50 0 HKAARN COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 ZINC000017082824 558815090 /nfs/dbraw/zinc/81/50/90/558815090.db2.gz YATPBBUFIQOKOP-UHFFFAOYSA-N 0 0 404.416 5.330 50 0 HKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1cc(F)ccc1F ZINC000017082844 558815068 /nfs/dbraw/zinc/81/50/68/558815068.db2.gz SNWKSAMXMMTTBB-UHFFFAOYSA-N 0 0 404.463 5.289 50 0 HKAARN COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c(OC)c1 ZINC000017082894 558815192 /nfs/dbraw/zinc/81/51/92/558815192.db2.gz FCBASLNVAPOEMB-CALCHBBNSA-N 0 0 404.510 5.037 50 0 HKAARN CCCCOc1cccc(-c2cc(C3N=NC(=S)N3CC)c3ccccc3n2)c1 ZINC000017083006 558815386 /nfs/dbraw/zinc/81/53/86/558815386.db2.gz ZEESJRYETRJVQM-UHFFFAOYSA-N 0 0 404.539 5.648 50 0 HKAARN COC(=O)c1c(NC(=S)Nc2cc(C)ccc2O)sc2c1CCCCCC2 ZINC000017083028 558815457 /nfs/dbraw/zinc/81/54/57/558815457.db2.gz ODPAOUMIENHIGM-UHFFFAOYSA-N 0 0 404.557 5.017 50 0 HKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@@H]1C[C@@H]1c1ccccc1 ZINC000017083034 558815491 /nfs/dbraw/zinc/81/54/91/558815491.db2.gz CPBOJWORLVIRRQ-RTBURBONSA-N 0 0 404.564 5.502 50 0 HKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@H]1C[C@@H]1c1ccccc1 ZINC000017083035 558815477 /nfs/dbraw/zinc/81/54/77/558815477.db2.gz CPBOJWORLVIRRQ-MOPGFXCFSA-N 0 0 404.564 5.502 50 0 HKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@@H]1C[C@H]1c1ccccc1 ZINC000017083036 558815445 /nfs/dbraw/zinc/81/54/45/558815445.db2.gz CPBOJWORLVIRRQ-RBUKOAKNSA-N 0 0 404.564 5.502 50 0 HKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@H]1C[C@H]1c1ccccc1 ZINC000017083037 558815486 /nfs/dbraw/zinc/81/54/86/558815486.db2.gz CPBOJWORLVIRRQ-OALUTQOASA-N 0 0 404.564 5.502 50 0 HKAARN COc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017083069 558815434 /nfs/dbraw/zinc/81/54/34/558815434.db2.gz WHYOJZSMZFAPIO-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017083071 558815498 /nfs/dbraw/zinc/81/54/98/558815498.db2.gz ZEOGEJHELIRWMZ-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccccc2)c(-c2ccccc2OC)c1Cl ZINC000017083072 558815455 /nfs/dbraw/zinc/81/54/55/558815455.db2.gz OIPYHQMGPPXQGR-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000017083073 558815437 /nfs/dbraw/zinc/81/54/37/558815437.db2.gz KNCFHLPASZZHBX-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017083074 558815436 /nfs/dbraw/zinc/81/54/36/558815436.db2.gz CUMIUTVSTGWKEJ-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1cccc(-c2nn(-c3ccccc3Cl)c(-c3cccc(OC)c3)c2C)c1 ZINC000017083075 558815500 /nfs/dbraw/zinc/81/55/00/558815500.db2.gz DMCQFUOYTMVFKL-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1 ZINC000017083076 558815474 /nfs/dbraw/zinc/81/54/74/558815474.db2.gz KXZCRIGJUYKJIJ-UHFFFAOYSA-N 0 0 404.897 6.185 50 0 HKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(Cl)cc3)n2)c1 ZINC000017083077 558815450 /nfs/dbraw/zinc/81/54/50/558815450.db2.gz MDXVSWSGKGABHM-UHFFFAOYSA-N 0 0 404.897 5.936 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(Cc2ccc(F)cc2Cl)c1-c1cccc(C)c1 ZINC000017083080 558815464 /nfs/dbraw/zinc/81/54/64/558815464.db2.gz RCSGPBOGWYTAJW-UHFFFAOYSA-N 0 0 404.916 6.983 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017083081 558815441 /nfs/dbraw/zinc/81/54/41/558815441.db2.gz CDDWCDVVLPXFNP-UHFFFAOYSA-N 0 0 404.916 7.232 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(Cc2ccc(F)cc2Cl)c1-c1ccc(C)cc1 ZINC000017083082 558815466 /nfs/dbraw/zinc/81/54/66/558815466.db2.gz UNSIYMNPGVVYLM-UHFFFAOYSA-N 0 0 404.916 6.983 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017083083 558815447 /nfs/dbraw/zinc/81/54/47/558815447.db2.gz IJMCIUAKJUUYGT-UHFFFAOYSA-N 0 0 404.916 7.232 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cn2cc(Cl)cn2)c1-c1ccc(C)c(C)c1 ZINC000017083091 558815439 /nfs/dbraw/zinc/81/54/39/558815439.db2.gz OVCSTHMHEAHOHZ-UHFFFAOYSA-N 0 0 404.945 6.115 50 0 HKAARN Cc1nn(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)c(C)c1Cl ZINC000017083092 558815463 /nfs/dbraw/zinc/81/54/63/558815463.db2.gz BDNNHUKEPBJEDF-UHFFFAOYSA-N 0 0 404.945 6.115 50 0 HKAARN Cc1nn(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)c(C)c1Cl ZINC000017083093 558815451 /nfs/dbraw/zinc/81/54/51/558815451.db2.gz XAZLSTZNOYMBPN-UHFFFAOYSA-N 0 0 404.945 6.115 50 0 HKAARN Fc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000017083113 558815651 /nfs/dbraw/zinc/81/56/51/558815651.db2.gz ZFFHQYUTLZUJNI-UHFFFAOYSA-N 0 0 405.235 5.504 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000017083129 558815662 /nfs/dbraw/zinc/81/56/62/558815662.db2.gz XGIPKDNAANINPK-UHFFFAOYSA-N 0 0 405.285 5.199 50 0 HKAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc2ccccc12 ZINC000017083162 558815624 /nfs/dbraw/zinc/81/56/24/558815624.db2.gz UUMBQHKTUMZZLO-UHFFFAOYSA-N 0 0 405.470 6.008 50 0 HKAARN CCCCCN(CCCCC)C(=S)Nc1ccc(Br)cc1Cl ZINC000017083272 558815757 /nfs/dbraw/zinc/81/57/57/558815757.db2.gz XFSSKKJLQPIURR-UHFFFAOYSA-N 0 0 405.833 6.482 50 0 HKAARN S=C1N=NC(C2c3ccccc3Oc3ccccc32)N1Cc1ccc(Cl)cc1 ZINC000017083285 558815745 /nfs/dbraw/zinc/81/57/45/558815745.db2.gz OLPLEFAMGBEXJA-UHFFFAOYSA-N 0 0 405.910 5.554 50 0 HKAARN CC(C)COc1ccc(-c2nnc(SCc3ccc(F)cc3Cl)n2C)cc1 ZINC000017083287 558815765 /nfs/dbraw/zinc/81/57/65/558815765.db2.gz VCDCEABCHDMFJW-UHFFFAOYSA-N 0 0 405.926 5.602 50 0 HKAARN Cc1ccc(O[C@H](C)c2nnc(SCc3ccc(F)cc3Cl)n2C)c(C)c1 ZINC000017083289 558815747 /nfs/dbraw/zinc/81/57/47/558815747.db2.gz KEWNEFXYRSLVKE-CQSZACIVSA-N 0 0 405.926 5.657 50 0 HKAARN Cc1ccc(O[C@@H](C)c2nnc(SCc3ccc(F)cc3Cl)n2C)c(C)c1 ZINC000017083290 558815754 /nfs/dbraw/zinc/81/57/54/558815754.db2.gz KEWNEFXYRSLVKE-AWEZNQCLSA-N 0 0 405.926 5.657 50 0 HKAARN Cc1c(-c2ccc(Br)cc2)nn(C)c1-c1ccc(Br)cc1 ZINC000017083302 558815709 /nfs/dbraw/zinc/81/57/09/558815709.db2.gz QDXIJEACHZZPAJ-UHFFFAOYSA-N 0 0 406.121 5.588 50 0 HKAARN CCCCc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000017083355 558815901 /nfs/dbraw/zinc/81/59/01/558815901.db2.gz XKHFNMCRPOMXEL-UHFFFAOYSA-N 0 0 406.357 5.690 50 0 HKAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2ccccc12 ZINC000017083358 558815882 /nfs/dbraw/zinc/81/58/82/558815882.db2.gz PBICXURIRCPGPK-UHFFFAOYSA-N 0 0 406.363 6.296 50 0 HKAARN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc2ccccc12 ZINC000017083359 558815944 /nfs/dbraw/zinc/81/59/44/558815944.db2.gz AIZAZUDXPUPLBI-UHFFFAOYSA-N 0 0 406.363 6.296 50 0 HKAARN Cc1ccccc1C1=N/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000017086172 558816045 /nfs/dbraw/zinc/81/60/45/558816045.db2.gz OVWMXMPYCATCLO-XSFVSMFZSA-N 0 0 417.848 5.212 50 0 HKAARN CCCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000017086991 569273234 /nfs/dbraw/zinc/27/32/34/569273234.db2.gz FZOARTXILOLTAD-UHFFFAOYSA-N 0 0 410.539 5.121 50 0 HKAARN Nc1c(-c2ccccc2)c(Cc2ccccc2)nn1-c1ccc(Br)cc1 ZINC000017087069 558816182 /nfs/dbraw/zinc/81/61/82/558816182.db2.gz KCISHKMVAAWHFK-UHFFFAOYSA-N 0 0 404.311 5.475 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000017087316 560862504 /nfs/dbraw/zinc/86/25/04/560862504.db2.gz MHSNJCVKTFCNFC-UHFFFAOYSA-N 0 0 406.448 5.447 50 0 HKAARN CCc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)c3cc(C)ccc3n2)cc1 ZINC000017087429 132465123 /nfs/dbraw/zinc/46/51/23/132465123.db2.gz IUOFUGNPQIUEPJ-UHFFFAOYSA-N 0 0 406.529 6.366 50 0 HKAARN C=Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000017087525 558816494 /nfs/dbraw/zinc/81/64/94/558816494.db2.gz KGQUIYLBHVELDU-UHFFFAOYSA-N 0 0 406.863 6.840 50 0 HKAARN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2cc1C ZINC000017087529 558816490 /nfs/dbraw/zinc/81/64/90/558816490.db2.gz VRPLCGPGGJAKSS-UHFFFAOYSA-N 0 0 406.869 5.783 50 0 HKAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000017087578 558816508 /nfs/dbraw/zinc/81/65/08/558816508.db2.gz ZABJSZKLVCBILT-UHFFFAOYSA-N 0 0 406.913 5.090 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000017087632 558816481 /nfs/dbraw/zinc/81/64/81/558816481.db2.gz SQWWWQASDLJKQV-UHFFFAOYSA-N 0 0 407.344 7.189 50 0 HKAARN Cc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017087635 558816489 /nfs/dbraw/zinc/81/64/89/558816489.db2.gz DXRQKPKNVFAOTK-UHFFFAOYSA-N 0 0 407.344 7.438 50 0 HKAARN CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(N(C)C)cc1 ZINC000017087639 558816477 /nfs/dbraw/zinc/81/64/77/558816477.db2.gz VRZVYHDINVXRNB-UHFFFAOYSA-N 0 0 407.370 5.630 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2s1 ZINC000017087764 558816628 /nfs/dbraw/zinc/81/66/28/558816628.db2.gz CTMCTVWUXKPMDX-MDWZMJQESA-N 0 0 407.539 5.810 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000017087765 558816583 /nfs/dbraw/zinc/81/65/83/558816583.db2.gz GIMHWMMFAYUDOM-UHFFFAOYSA-N 0 0 407.542 6.947 50 0 HKAARN Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3nc(-c4ccccc4)cs3)n2)c1 ZINC000017087766 558816572 /nfs/dbraw/zinc/81/65/72/558816572.db2.gz ZTIIETZGGNHUKE-UHFFFAOYSA-N 0 0 407.542 6.947 50 0 HKAARN Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000017087769 558816581 /nfs/dbraw/zinc/81/65/81/558816581.db2.gz MDEIQOJLELEDEK-YBOAYWMSSA-N 0 0 407.554 5.879 50 0 HKAARN Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000017087770 558816618 /nfs/dbraw/zinc/81/66/18/558816618.db2.gz MDEIQOJLELEDEK-QXATTWAWSA-N 0 0 407.554 5.879 50 0 HKAARN CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017087818 558816632 /nfs/dbraw/zinc/81/66/32/558816632.db2.gz DICVIOXMYHPRCK-UHFFFAOYSA-N 0 0 407.967 5.990 50 0 HKAARN O=c1c2ccccc2nc2sc(CSCc3ccc(Cl)c(Cl)c3)nn21 ZINC000017087852 558816549 /nfs/dbraw/zinc/81/65/49/558816549.db2.gz FVHUUQXSWVIQGY-UHFFFAOYSA-N 0 0 408.335 5.044 50 0 HKAARN Cc1cccc(O[C@H](C)c2nnc(SCc3c(Cl)cccc3Cl)n2C)c1 ZINC000017087855 558816788 /nfs/dbraw/zinc/81/67/88/558816788.db2.gz RENBJCRGALTCFN-CYBMUJFWSA-N 0 0 408.354 5.863 50 0 HKAARN Cc1cccc(O[C@@H](C)c2nnc(SCc3c(Cl)cccc3Cl)n2C)c1 ZINC000017087856 558816744 /nfs/dbraw/zinc/81/67/44/558816744.db2.gz RENBJCRGALTCFN-ZDUSSCGKSA-N 0 0 408.354 5.863 50 0 HKAARN CCn1c(COc2cc(Cl)ccc2Cl)nnc1SCc1ccc(C)cc1 ZINC000017087857 558816782 /nfs/dbraw/zinc/81/67/82/558816782.db2.gz XSTOLBJADAMMBS-UHFFFAOYSA-N 0 0 408.354 5.785 50 0 HKAARN CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1ccccc1Cl ZINC000017087858 558816789 /nfs/dbraw/zinc/81/67/89/558816789.db2.gz KCXTWTDUSQCFJF-UHFFFAOYSA-N 0 0 408.354 5.785 50 0 HKAARN Cc1ccc(CN2C(=S)N=NC2CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000017087859 558816747 /nfs/dbraw/zinc/81/67/47/558816747.db2.gz JWMAQJKQZJWXGR-UHFFFAOYSA-N 0 0 408.354 5.242 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)o1 ZINC000017087875 558816740 /nfs/dbraw/zinc/81/67/40/558816740.db2.gz OYEYVXJVKBBESW-UHFFFAOYSA-N 0 0 408.404 5.232 50 0 HKAARN O=S(=O)(NC1CCCCCCCCCCC1)c1ccc(Br)s1 ZINC000017087890 558816762 /nfs/dbraw/zinc/81/67/62/558816762.db2.gz JXTLWJSWEDOQDS-UHFFFAOYSA-N 0 0 408.427 5.462 50 0 HKAARN CCc1c(C)sc2[nH]c(=S)n(-c3ccc(OCc4ccccc4)cc3)c(=O)c21 ZINC000017088077 558816853 /nfs/dbraw/zinc/81/68/53/558816853.db2.gz FDDJDNHVRWMPGG-UHFFFAOYSA-N 0 0 408.548 5.186 50 0 HKAARN CCOC(=O)c1c(NC(=S)N2C[C@H](C)C[C@H](C)C2)sc2c1CCCCCC2 ZINC000017088096 558817048 /nfs/dbraw/zinc/81/70/48/558817048.db2.gz ZXQYRXIYMLMLEP-GASCZTMLSA-N 0 0 408.633 5.259 50 0 HKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 ZINC000017088101 558817047 /nfs/dbraw/zinc/81/70/47/558817047.db2.gz LAHFUXRDSMUVHI-UHFFFAOYSA-N 0 0 408.752 5.673 50 0 HKAARN COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017088119 558817055 /nfs/dbraw/zinc/81/70/55/558817055.db2.gz ORSRFXXAFWCGHT-UHFFFAOYSA-N 0 0 408.854 5.324 50 0 HKAARN COc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017088120 558817053 /nfs/dbraw/zinc/81/70/53/558817053.db2.gz NVFASORKZPXPOR-UHFFFAOYSA-N 0 0 408.860 6.016 50 0 HKAARN COc1ccccc1-c1nn(-c2cccc(F)c2)c(-c2ccccc2OC)c1Cl ZINC000017088121 558817029 /nfs/dbraw/zinc/81/70/29/558817029.db2.gz UKQDVTREHCRQGP-UHFFFAOYSA-N 0 0 408.860 6.016 50 0 HKAARN Cc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 ZINC000017088125 558817023 /nfs/dbraw/zinc/81/70/23/558817023.db2.gz JJQMPAGKNMQWNS-UHFFFAOYSA-N 0 0 408.879 6.814 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1C ZINC000017088289 558817149 /nfs/dbraw/zinc/81/71/49/558817149.db2.gz KJRNJPQXUMANMY-UHFFFAOYSA-N 0 0 409.511 5.057 50 0 HKAARN Nc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000017088421 558817157 /nfs/dbraw/zinc/81/71/57/558817157.db2.gz SHSVIMPWCGAGAM-UHFFFAOYSA-N 0 0 410.351 5.430 50 0 HKAARN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017088431 558817153 /nfs/dbraw/zinc/81/71/53/558817153.db2.gz XLDPTMGZRTVNMY-UHFFFAOYSA-N 0 0 410.395 6.022 50 0 HKAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 ZINC000017088432 558817168 /nfs/dbraw/zinc/81/71/68/558817168.db2.gz SYMDDTASLKFQDA-UHFFFAOYSA-N 0 0 410.395 6.022 50 0 HKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000017088555 558817332 /nfs/dbraw/zinc/81/73/32/558817332.db2.gz ZDSAWCZDFRWLOY-NTEUORMPSA-N 0 0 410.517 6.887 50 0 HKAARN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2cc1C ZINC000017088561 558817331 /nfs/dbraw/zinc/81/73/31/558817331.db2.gz MJFVYEFSTZMKSV-JLHYYAGUSA-N 0 0 410.517 6.887 50 0 HKAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3cnc(-c4ccccc4)s3)cc2C1 ZINC000017088667 558817447 /nfs/dbraw/zinc/81/74/47/558817447.db2.gz DQJIDQRWZDMAKV-QGZVFWFLSA-N 0 0 410.608 5.953 50 0 HKAARN CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3cnc(-c4ccccc4)s3)cc2C1 ZINC000017088668 558817485 /nfs/dbraw/zinc/81/74/85/558817485.db2.gz DQJIDQRWZDMAKV-KRWDZBQOSA-N 0 0 410.608 5.953 50 0 HKAARN COc1cccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 ZINC000017088682 558817432 /nfs/dbraw/zinc/81/74/32/558817432.db2.gz RPRAJKHAAGOVSB-UHFFFAOYSA-N 0 0 410.851 6.206 50 0 HKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)Cc4ccc(Cl)cc4)c3)oc2c1 ZINC000017088768 558817414 /nfs/dbraw/zinc/81/74/14/558817414.db2.gz BOEGKLVHVMZSGY-UHFFFAOYSA-N 0 0 411.288 6.291 50 0 HKAARN CCN1C(=S)N=NC1c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000017088789 558817481 /nfs/dbraw/zinc/81/74/81/558817481.db2.gz SAJJRANJIXTWFH-UHFFFAOYSA-N 0 0 411.328 5.231 50 0 HKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)c1C ZINC000017088831 558817629 /nfs/dbraw/zinc/81/76/29/558817629.db2.gz OLDKWXNGVTYWPC-UHFFFAOYSA-N 0 0 411.431 5.509 50 0 HKAARN CCCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc(C)c1C ZINC000017088940 558817650 /nfs/dbraw/zinc/81/76/50/558817650.db2.gz RGHKWVSFFSNRLQ-UHFFFAOYSA-N 0 0 411.518 6.345 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)cc1 ZINC000017088944 558817641 /nfs/dbraw/zinc/81/76/41/558817641.db2.gz KYCWCLYQXMONKT-UHFFFAOYSA-N 0 0 411.527 5.466 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2s1 ZINC000017088945 558817625 /nfs/dbraw/zinc/81/76/25/558817625.db2.gz INKFSGSIPALIAP-UHFFFAOYSA-N 0 0 411.527 5.176 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)c1 ZINC000017088946 558817622 /nfs/dbraw/zinc/81/76/22/558817622.db2.gz BSLSUWZQUOWOEM-UHFFFAOYSA-N 0 0 411.527 5.466 50 0 HKAARN COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000017088994 558817607 /nfs/dbraw/zinc/81/76/07/558817607.db2.gz GECDKZDSKUMLSP-RYQLBKOJSA-N 0 0 411.567 5.428 50 0 HKAARN CCC(C)(C)c1ccc2c(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)csc2c1 ZINC000017088996 558817657 /nfs/dbraw/zinc/81/76/57/558817657.db2.gz ZJHLCUZKQGDIIC-HNNXBMFYSA-N 0 0 411.567 6.097 50 0 HKAARN CCC(C)(C)c1ccc2c(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)csc2c1 ZINC000017088997 558817655 /nfs/dbraw/zinc/81/76/55/558817655.db2.gz ZJHLCUZKQGDIIC-OAHLLOKOSA-N 0 0 411.567 6.097 50 0 HKAARN N=c1oc2ccc(Br)cc2cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000017089079 558817744 /nfs/dbraw/zinc/81/77/44/558817744.db2.gz JWNAJTSASFFKPV-UHFFFAOYSA-N 0 0 412.070 5.234 50 0 HKAARN Fc1cc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000017089081 558817774 /nfs/dbraw/zinc/81/77/74/558817774.db2.gz VZUMOWJULYLDBU-UHFFFAOYSA-N 0 0 412.086 5.843 50 0 HKAARN Cc1cc2nc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)oc2c(C)c1 ZINC000017089088 558817712 /nfs/dbraw/zinc/81/77/12/558817712.db2.gz XOVIBMQJUBDBAC-UHFFFAOYSA-N 0 0 412.276 6.066 50 0 HKAARN Fc1ccc(CN2C(=S)N=NC2CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000017089097 558817727 /nfs/dbraw/zinc/81/77/27/558817727.db2.gz QDPVQRDNUPKJSC-UHFFFAOYSA-N 0 0 412.317 5.073 50 0 HKAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1Cl ZINC000017089098 558817747 /nfs/dbraw/zinc/81/77/47/558817747.db2.gz CZHWFYUDFZAOAV-UHFFFAOYSA-N 0 0 412.317 5.615 50 0 HKAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1csc2ccccc12 ZINC000017089234 558817932 /nfs/dbraw/zinc/81/79/32/558817932.db2.gz ZRABNFZISTXPSG-UHFFFAOYSA-N 0 0 412.515 5.050 50 0 HKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(C)c2)c1-c1cccc(OC)c1 ZINC000017089288 558818019 /nfs/dbraw/zinc/81/80/19/558818019.db2.gz ZHMVRUJPEDZZCR-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(C)cc2)c1-c1ccc(OC)cc1 ZINC000017089289 558818023 /nfs/dbraw/zinc/81/80/23/558818023.db2.gz FMAPHAVUAABGLG-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccccc2C)c1-c1ccc(OC)cc1 ZINC000017089290 558818027 /nfs/dbraw/zinc/81/80/27/558818027.db2.gz FPKIBYUTZVPSBU-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(C)c2)c1-c1ccc(OC)cc1 ZINC000017089291 558817980 /nfs/dbraw/zinc/81/79/80/558817980.db2.gz UWKMHDUJQCEYMK-UHFFFAOYSA-N 0 0 412.533 6.153 50 0 HKAARN COC(=O)c1c(NC(=S)Nc2ccc(C)cc2O)sc(C)c1-c1ccccc1 ZINC000017089298 558817993 /nfs/dbraw/zinc/81/79/93/558817993.db2.gz WVZLWLBMXLIAKO-UHFFFAOYSA-N 0 0 412.536 5.333 50 0 HKAARN COC(=O)c1c(NC(=S)Nc2cc(C)ccc2O)sc(C)c1-c1ccccc1 ZINC000017089299 558818001 /nfs/dbraw/zinc/81/80/01/558818001.db2.gz IEQXOWCWLZNADX-UHFFFAOYSA-N 0 0 412.536 5.333 50 0 HKAARN COC(=O)c1c(NC(=S)Nc2ccc(O)cc2C)sc(C)c1-c1ccccc1 ZINC000017089300 558818017 /nfs/dbraw/zinc/81/80/17/558818017.db2.gz ITHVMQITCVICKY-UHFFFAOYSA-N 0 0 412.536 5.333 50 0 HKAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000017089315 558818025 /nfs/dbraw/zinc/81/80/25/558818025.db2.gz ULMKRNQTLMBSRP-UHFFFAOYSA-N 0 0 412.537 5.695 50 0 HKAARN Cc1cc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2C(C)C)cs1 ZINC000017089360 558818037 /nfs/dbraw/zinc/81/80/37/558818037.db2.gz PWFDHCOBVFRRIS-UHFFFAOYSA-N 0 0 412.609 6.312 50 0 HKAARN CCn1c(CC2CCCCC2)nnc1SCc1csc(-c2cccc(C)c2)n1 ZINC000017089369 558817985 /nfs/dbraw/zinc/81/79/85/558817985.db2.gz ATXQRERCGSKPGY-UHFFFAOYSA-N 0 0 412.628 6.145 50 0 HKAARN Cc1nn(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c(C)c1Cl ZINC000017089392 558818021 /nfs/dbraw/zinc/81/80/21/558818021.db2.gz TTZCRVSLVIWAOE-UHFFFAOYSA-N 0 0 412.871 5.776 50 0 HKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 ZINC000017089406 558818035 /nfs/dbraw/zinc/81/80/35/558818035.db2.gz PIALSZUOBGNBCT-UHFFFAOYSA-N 0 0 412.880 5.788 50 0 HKAARN CCOC(=O)Cn1nc(-c2ccc(C)cc2)c(Br)c1-c1ccc(C)cc1 ZINC000017089473 558818188 /nfs/dbraw/zinc/81/81/88/558818188.db2.gz MNBPXZSGRLLJNX-UHFFFAOYSA-N 0 0 413.315 5.160 50 0 HKAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)c(C)c1 ZINC000017089623 569274709 /nfs/dbraw/zinc/27/47/09/569274709.db2.gz FSIHEXVQESLLKX-UHFFFAOYSA-N 0 0 413.525 5.136 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017089711 558818239 /nfs/dbraw/zinc/81/82/39/558818239.db2.gz IFCCCFBQKCFUFL-UHFFFAOYSA-N 0 0 413.864 6.396 50 0 HKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017089735 558818236 /nfs/dbraw/zinc/81/82/36/558818236.db2.gz XSPRWYPFSONVRY-UHFFFAOYSA-N 0 0 413.974 6.232 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017089750 558818280 /nfs/dbraw/zinc/81/82/80/558818280.db2.gz FDHKWOPHSBPBIH-UHFFFAOYSA-N 0 0 414.248 5.214 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000017089752 560864626 /nfs/dbraw/zinc/86/46/26/560864626.db2.gz PAXCRKHYCKTDRI-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN Cc1ccc(Cl)cc1N1C(=S)N=NC1CSCc1ccc(F)cc1Cl ZINC000017089777 558818298 /nfs/dbraw/zinc/81/82/98/558818298.db2.gz YFCYDMISZMETSK-UHFFFAOYSA-N 0 0 414.358 5.744 50 0 HKAARN Cc1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)cc1Cl ZINC000017089778 558818283 /nfs/dbraw/zinc/81/82/83/558818283.db2.gz ZXUHAKSWYUHWMA-UHFFFAOYSA-N 0 0 414.358 5.744 50 0 HKAARN Fc1ccc(CSCC2N=NC(=S)N2Cc2ccc(Cl)cc2)c(Cl)c1 ZINC000017089779 558818249 /nfs/dbraw/zinc/81/82/49/558818249.db2.gz MPYHDCSVWYUUIF-UHFFFAOYSA-N 0 0 414.358 5.494 50 0 HKAARN Cc1c(Cl)cccc1N1C(=S)N=NC1CSCc1ccc(F)cc1Cl ZINC000017089780 558818323 /nfs/dbraw/zinc/81/83/23/558818323.db2.gz WWCAEPOWVJGKML-UHFFFAOYSA-N 0 0 414.358 5.744 50 0 HKAARN Fc1cccc(CSCCC2N=NC(=S)N2c2ccc(Cl)cc2Cl)c1 ZINC000017089781 558818260 /nfs/dbraw/zinc/81/82/60/558818260.db2.gz HAPUZBKFQOVRJB-UHFFFAOYSA-N 0 0 414.358 5.478 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000017089784 558818247 /nfs/dbraw/zinc/81/82/47/558818247.db2.gz BCOOASWMAYCDCI-UHFFFAOYSA-N 0 0 414.377 6.562 50 0 HKAARN COc1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 ZINC000017089922 558818454 /nfs/dbraw/zinc/81/84/54/558818454.db2.gz TWFLEHHZBJPOTB-UHFFFAOYSA-N 0 0 414.505 5.600 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2c1 ZINC000017089924 558818427 /nfs/dbraw/zinc/81/84/27/558818427.db2.gz VCFCBIUDZBGTRT-UHFFFAOYSA-N 0 0 414.505 6.253 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)oc2c1 ZINC000017089926 558818407 /nfs/dbraw/zinc/81/84/07/558818407.db2.gz GFLZDJTXUSVKFI-UHFFFAOYSA-N 0 0 414.505 6.118 50 0 HKAARN CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCC1 ZINC000017090061 558818654 /nfs/dbraw/zinc/81/86/54/558818654.db2.gz ORJCQKSCAXLOFC-UHFFFAOYSA-N 0 0 414.556 5.100 50 0 HKAARN Cn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCCC1 ZINC000017090062 558818670 /nfs/dbraw/zinc/81/86/70/558818670.db2.gz BUVLROBNIJXRCZ-UHFFFAOYSA-N 0 0 414.556 5.007 50 0 HKAARN Cc1ccc(CN2C(=S)N=NC2c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000017090069 558818647 /nfs/dbraw/zinc/81/86/47/558818647.db2.gz LUJDLCRJYWGASR-UHFFFAOYSA-N 0 0 414.559 5.867 50 0 HKAARN S=C1N=NC(c2cc(-c3cccs3)nc3ccccc32)N1CCc1ccccc1 ZINC000017090070 558818687 /nfs/dbraw/zinc/81/86/87/558818687.db2.gz VUOODYJXRGMPBL-UHFFFAOYSA-N 0 0 414.559 5.753 50 0 HKAARN CCCc1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cs1 ZINC000017090112 558818674 /nfs/dbraw/zinc/81/86/74/558818674.db2.gz AEHHEEYBDHEWPO-UHFFFAOYSA-N 0 0 414.600 5.350 50 0 HKAARN O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000017090114 558818680 /nfs/dbraw/zinc/81/86/80/558818680.db2.gz IKXKQVYHTDDYCF-UHFFFAOYSA-N 0 0 414.655 5.070 50 0 HKAARN Cn1c(COc2cc(Cl)ccc2Cl)nnc1SCc1ccc(Cl)cc1 ZINC000017090117 558818685 /nfs/dbraw/zinc/81/86/85/558818685.db2.gz IAMFCUVWOAZIBM-UHFFFAOYSA-N 0 0 414.745 5.647 50 0 HKAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C(N)=O)C1 ZINC000017090156 558818830 /nfs/dbraw/zinc/81/88/30/558818830.db2.gz VZVHDNYFZCTPQY-LLVKDONJSA-N 0 0 414.914 5.138 50 0 HKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C(N)=O)C1 ZINC000017090157 558818761 /nfs/dbraw/zinc/81/87/61/558818761.db2.gz VZVHDNYFZCTPQY-NSHDSACASA-N 0 0 414.914 5.138 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2ccccc2c1 ZINC000017090165 569274730 /nfs/dbraw/zinc/27/47/30/569274730.db2.gz YAUIBZQPBNNDNZ-UHFFFAOYSA-N 0 0 414.917 7.022 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 ZINC000017090174 558818811 /nfs/dbraw/zinc/81/88/11/558818811.db2.gz COLJGIXWESLZAW-UHFFFAOYSA-N 0 0 414.977 6.026 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccc(C)c(Cl)c2)c1-c1ccc(C)c(C)c1 ZINC000017090177 558818816 /nfs/dbraw/zinc/81/88/16/558818816.db2.gz NXWOCWHTDFODHW-UHFFFAOYSA-N 0 0 414.980 7.710 50 0 HKAARN Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 ZINC000017090178 558818819 /nfs/dbraw/zinc/81/88/19/558818819.db2.gz YWTBLLBNDIRHIR-UHFFFAOYSA-N 0 0 414.980 7.461 50 0 HKAARN Cc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 ZINC000017090179 558818814 /nfs/dbraw/zinc/81/88/14/558818814.db2.gz HKXUGIVLQXQORD-UHFFFAOYSA-N 0 0 414.980 7.461 50 0 HKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccc(Cl)cc2)c1-c1ccc(C)c(C)c1 ZINC000017090180 558818769 /nfs/dbraw/zinc/81/87/69/558818769.db2.gz KKVARCOJAANCQR-UHFFFAOYSA-N 0 0 414.980 7.461 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000017090202 558818822 /nfs/dbraw/zinc/81/88/22/558818822.db2.gz CHWNTIISAVEYEL-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1Cl ZINC000017090207 558818805 /nfs/dbraw/zinc/81/88/05/558818805.db2.gz ZSFWASRAJPMISI-UHFFFAOYSA-N 0 0 415.270 7.100 50 0 HKAARN Fc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000017090208 558818803 /nfs/dbraw/zinc/81/88/03/558818803.db2.gz RYZPCGQUQQXFJV-UHFFFAOYSA-N 0 0 415.270 6.850 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017090212 558818836 /nfs/dbraw/zinc/81/88/36/558818836.db2.gz WAKWZNFQLQKGON-UHFFFAOYSA-N 0 0 415.276 5.263 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000017090273 558819021 /nfs/dbraw/zinc/81/90/21/558819021.db2.gz PAJWEUMTPMNXKU-UHFFFAOYSA-N 0 0 415.468 6.608 50 0 HKAARN Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000017090274 558818984 /nfs/dbraw/zinc/81/89/84/558818984.db2.gz ZTUBBTFJQRYWKW-UHFFFAOYSA-N 0 0 415.468 6.608 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 ZINC000017090357 558818963 /nfs/dbraw/zinc/81/89/63/558818963.db2.gz UVEAFJLAPRBLGE-UHFFFAOYSA-N 0 0 415.518 5.954 50 0 HKAARN Fc1ccc(CSCC2N=NC(=S)N2c2cccc3ccccc32)c(Cl)c1 ZINC000017090448 558818971 /nfs/dbraw/zinc/81/89/71/558818971.db2.gz YUDKOBWIKCAFJC-UHFFFAOYSA-N 0 0 415.946 5.935 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)n2)cc1OC ZINC000017090625 558819336 /nfs/dbraw/zinc/81/93/36/558819336.db2.gz YJBXTKRUSHCVPN-UHFFFAOYSA-N 0 0 416.477 5.241 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccccc3)n2)c(OC)c1 ZINC000017090628 558819284 /nfs/dbraw/zinc/81/92/84/558819284.db2.gz TWTYPYHHJLDKEL-UHFFFAOYSA-N 0 0 416.477 5.241 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(Cc2ccccc2F)c1-c1ccc(OC)cc1 ZINC000017090644 558819279 /nfs/dbraw/zinc/81/92/79/558819279.db2.gz UFWYMZXSWAGVRG-UHFFFAOYSA-N 0 0 416.496 5.984 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nc2c1 ZINC000017090714 558819427 /nfs/dbraw/zinc/81/94/27/558819427.db2.gz WHABNGOFCCMLKF-UHFFFAOYSA-N 0 0 416.521 6.048 50 0 HKAARN CCCN1C(=S)N=NC1c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000017090830 521633506 /nfs/dbraw/zinc/63/35/06/521633506.db2.gz VNZUGZKOPDZLRA-UHFFFAOYSA-N 0 0 416.554 5.133 50 0 HKAARN O=C(c1csc2c1CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017090839 558819541 /nfs/dbraw/zinc/81/95/41/558819541.db2.gz ZSSAQVLVKNUTCD-UHFFFAOYSA-N 0 0 416.590 5.174 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1[C@@H](C)CCC[C@@H]1C ZINC000017090842 558819588 /nfs/dbraw/zinc/81/95/88/558819588.db2.gz OAGZTFATAVSZEH-HOTGVXAUSA-N 0 0 416.612 5.475 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000017090844 558819583 /nfs/dbraw/zinc/81/95/83/558819583.db2.gz OAGZTFATAVSZEH-IYBDPMFKSA-N 0 0 416.612 5.475 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1[C@H](C)CCC[C@H]1C ZINC000017090845 558819598 /nfs/dbraw/zinc/81/95/98/558819598.db2.gz OAGZTFATAVSZEH-HZPDHXFCSA-N 0 0 416.612 5.475 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@@H](C)C1 ZINC000017090847 558819574 /nfs/dbraw/zinc/81/95/74/558819574.db2.gz VDEGZFHCLSXFHT-HZPDHXFCSA-N 0 0 416.612 5.190 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1C[C@@H](C)C[C@H](C)C1 ZINC000017090848 558819557 /nfs/dbraw/zinc/81/95/57/558819557.db2.gz VDEGZFHCLSXFHT-HOTGVXAUSA-N 0 0 416.612 5.190 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@H](C)C1 ZINC000017090849 558819549 /nfs/dbraw/zinc/81/95/49/558819549.db2.gz VDEGZFHCLSXFHT-IYBDPMFKSA-N 0 0 416.612 5.190 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000017090865 558819559 /nfs/dbraw/zinc/81/95/59/558819559.db2.gz CZGZYBPILIYLSD-UHFFFAOYSA-N 0 0 416.711 5.136 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000017090866 558819620 /nfs/dbraw/zinc/81/96/20/558819620.db2.gz PWNUVSMWVJUTQX-UHFFFAOYSA-N 0 0 416.711 5.136 50 0 HKAARN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(F)c1 ZINC000017090962 558819539 /nfs/dbraw/zinc/81/95/39/558819539.db2.gz OGIWLYYEEQOONB-UHFFFAOYSA-N 0 0 417.292 6.662 50 0 HKAARN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000017090963 558819552 /nfs/dbraw/zinc/81/95/52/558819552.db2.gz LOGCGVLYMRTRRS-UHFFFAOYSA-N 0 0 417.292 6.662 50 0 HKAARN CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1cccc2ccccc21 ZINC000017091219 558819856 /nfs/dbraw/zinc/81/98/56/558819856.db2.gz CUXFRZGKLOUVRL-UHFFFAOYSA-N 0 0 417.622 6.502 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2s1 ZINC000017091257 558819841 /nfs/dbraw/zinc/81/98/41/558819841.db2.gz HTPRSYOYWCKSKV-UHFFFAOYSA-N 0 0 417.918 5.014 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2s1 ZINC000017091261 558819835 /nfs/dbraw/zinc/81/98/35/558819835.db2.gz KHJWOKVDAXGMTO-UHFFFAOYSA-N 0 0 417.918 5.014 50 0 HKAARN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017091265 558819843 /nfs/dbraw/zinc/81/98/43/558819843.db2.gz JXKJEYJJKFNOLL-UHFFFAOYSA-N 0 0 417.937 5.888 50 0 HKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000017091274 558819859 /nfs/dbraw/zinc/81/98/59/558819859.db2.gz YIVRIOGHOSRUPV-UHFFFAOYSA-N 0 0 417.940 5.649 50 0 HKAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Br)o1 ZINC000017091315 558819833 /nfs/dbraw/zinc/81/98/33/558819833.db2.gz XALRCJDCDGGRJR-UHFFFAOYSA-N 0 0 418.238 5.149 50 0 HKAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017091317 132465228 /nfs/dbraw/zinc/46/52/28/132465228.db2.gz PYFOWBSKGTXAMW-UHFFFAOYSA-N 0 0 418.246 5.366 50 0 HKAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000017091321 558819850 /nfs/dbraw/zinc/81/98/50/558819850.db2.gz UOLGBZBKVHYFCN-UHFFFAOYSA-N 0 0 418.271 6.100 50 0 HKAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000017091333 558819830 /nfs/dbraw/zinc/81/98/30/558819830.db2.gz ISMBLNSISVHOFU-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN Fc1ccc(N2C(=S)N=NC2CSCc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000017091348 558819858 /nfs/dbraw/zinc/81/98/58/558819858.db2.gz KOXYANPKQLXBNF-UHFFFAOYSA-N 0 0 418.321 5.574 50 0 HKAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000017091349 558819845 /nfs/dbraw/zinc/81/98/45/558819845.db2.gz IGBGZCIRNRYVSY-UHFFFAOYSA-N 0 0 418.321 5.574 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(SCc3ccc(Br)cc3)n2C)c1 ZINC000017091374 558819997 /nfs/dbraw/zinc/81/99/97/558819997.db2.gz NFASDQSQLVZWLC-UHFFFAOYSA-N 0 0 418.360 5.066 50 0 HKAARN Cc1cc(C)cc(OCc2nnc(SCc3cccc(Br)c3)n2C)c1 ZINC000017091375 558819984 /nfs/dbraw/zinc/81/99/84/558819984.db2.gz BSMQHMISMCOGBF-UHFFFAOYSA-N 0 0 418.360 5.066 50 0 HKAARN CC(C)Oc1ccc(C(=O)N(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)cc1 ZINC000017091435 558819982 /nfs/dbraw/zinc/81/99/82/558819982.db2.gz AVDANGMDXXTWNP-UHFFFAOYSA-N 0 0 418.493 5.143 50 0 HKAARN CC(C)COc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3ccccc3n2)c1 ZINC000017091492 558820087 /nfs/dbraw/zinc/82/00/87/558820087.db2.gz NDWDMULTMQNRME-KDURUIRLSA-N 0 0 418.537 5.186 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1Cl ZINC000017091645 558820195 /nfs/dbraw/zinc/82/01/95/558820195.db2.gz ZGWMESYMPQABBO-UHFFFAOYSA-N 0 0 418.667 6.102 50 0 HKAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000017091660 558820265 /nfs/dbraw/zinc/82/02/65/558820265.db2.gz BKSZDXISOFXAEW-UHFFFAOYSA-N 0 0 418.773 5.290 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017091709 558820211 /nfs/dbraw/zinc/82/02/11/558820211.db2.gz CSPXHNNVDZZUAN-UHFFFAOYSA-N 0 0 418.924 6.494 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2ccccc2Cl)c1-c1ccc(OC)cc1 ZINC000017091710 558820238 /nfs/dbraw/zinc/82/02/38/558820238.db2.gz VXVLBTDXLKJYSP-UHFFFAOYSA-N 0 0 418.924 6.439 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccc(C)cc2)c(-c2ccccc2OC)c1Cl ZINC000017091711 558820259 /nfs/dbraw/zinc/82/02/59/558820259.db2.gz CXBZEILTOFTXDV-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000017091712 558820239 /nfs/dbraw/zinc/82/02/39/558820239.db2.gz LBNLEKXNINTXID-UHFFFAOYSA-N 0 0 418.924 7.086 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccccc2C)c(-c2ccccc2OC)c1Cl ZINC000017091715 558820193 /nfs/dbraw/zinc/82/01/93/558820193.db2.gz BFIXCDXAMPIYRN-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN COc1ccccc1-c1nn(Cc2cccc(C)c2)c(-c2ccccc2OC)c1Cl ZINC000017091716 558820249 /nfs/dbraw/zinc/82/02/49/558820249.db2.gz HNKXOXMKFLPEMN-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN COc1cccc(-c2nn(Cc3ccc(C)cc3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017091718 558820253 /nfs/dbraw/zinc/82/02/53/558820253.db2.gz FJNHHIQPMRUZTJ-UHFFFAOYSA-N 0 0 418.924 6.244 50 0 HKAARN Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017091722 558820173 /nfs/dbraw/zinc/82/01/73/558820173.db2.gz FOIVCTRDLJCMNP-UHFFFAOYSA-N 0 0 418.943 7.292 50 0 HKAARN Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017091723 558820184 /nfs/dbraw/zinc/82/01/84/558820184.db2.gz QNULLGCIWPXXJR-UHFFFAOYSA-N 0 0 418.943 7.292 50 0 HKAARN Cc1nn(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)c(C)c1Cl ZINC000017091731 558820170 /nfs/dbraw/zinc/82/01/70/558820170.db2.gz DVVVXBOHYZINNI-UHFFFAOYSA-N 0 0 418.972 6.423 50 0 HKAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Br)o1 ZINC000017091743 558820165 /nfs/dbraw/zinc/82/01/65/558820165.db2.gz ZDPFKYWVYDZURV-UHFFFAOYSA-N 0 0 419.131 5.437 50 0 HKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2s1 ZINC000017091878 558820347 /nfs/dbraw/zinc/82/03/47/558820347.db2.gz AMWYGDXVRZUXJW-UHFFFAOYSA-N 0 0 419.506 5.449 50 0 HKAARN Cc1cccc(N2C(=S)N=NC2c2ccc(COc3cc(C)ccc3C(C)C)o2)c1 ZINC000017091932 558820550 /nfs/dbraw/zinc/82/05/50/558820550.db2.gz OLBPNIPJIASQGO-UHFFFAOYSA-N 0 0 419.550 6.135 50 0 HKAARN Cc1ccc(N2C(=S)N=NC2c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000017091935 558820501 /nfs/dbraw/zinc/82/05/01/558820501.db2.gz LYOAQNYIFNIHIS-UHFFFAOYSA-N 0 0 419.550 6.135 50 0 HKAARN O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1ccc2c(c1)OCO2 ZINC000017091998 527145503 /nfs/dbraw/zinc/14/55/03/527145503.db2.gz UFRHRWQCQSSUBY-UHFFFAOYSA-N 0 0 419.824 5.038 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)c3ccccc3n2)cc1OC ZINC000017092017 558820537 /nfs/dbraw/zinc/82/05/37/558820537.db2.gz GGKOIXRUTYIDAX-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(C)=O)CC[C@H](C(C)(C)C)C2 ZINC000017092058 571314200 /nfs/dbraw/zinc/31/42/00/571314200.db2.gz SKMFFYRYIZUULV-ZDUSSCGKSA-N 0 0 419.974 6.016 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(C)=O)CC[C@@H](C(C)(C)C)C2 ZINC000017092059 524199459 /nfs/dbraw/zinc/19/94/59/524199459.db2.gz SKMFFYRYIZUULV-CYBMUJFWSA-N 0 0 419.974 6.016 50 0 HKAARN CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCc1ccc(F)cc1Cl ZINC000017092063 523173980 /nfs/dbraw/zinc/17/39/80/523173980.db2.gz HKEVTXBNVZXPJK-UHFFFAOYSA-N 0 0 419.997 6.142 50 0 HKAARN COc1ccc(-c2nnc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)o2)cc1 ZINC000017092089 523255364 /nfs/dbraw/zinc/25/53/64/523255364.db2.gz CWVLVYRRCHRTKO-UHFFFAOYSA-N 0 0 420.277 5.519 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(Cc2cccc(C(F)(F)F)c2)c1-c1ccc(C)cc1 ZINC000017092190 558820694 /nfs/dbraw/zinc/82/06/94/558820694.db2.gz BMGWEOFVJKCIHU-UHFFFAOYSA-N 0 0 420.478 7.209 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl ZINC000017092474 558820912 /nfs/dbraw/zinc/82/09/12/558820912.db2.gz IMPUBCCJRBQXPJ-UHFFFAOYSA-N 0 0 420.896 6.334 50 0 HKAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000017092478 558820942 /nfs/dbraw/zinc/82/09/42/558820942.db2.gz XJVVEKPKYGKOPY-UHFFFAOYSA-N 0 0 420.896 6.037 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000017092479 558820924 /nfs/dbraw/zinc/82/09/24/558820924.db2.gz WGSSSECYQQXYSN-UHFFFAOYSA-N 0 0 420.896 6.334 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)o1 ZINC000017092487 558820927 /nfs/dbraw/zinc/82/09/27/558820927.db2.gz MWTMWDYSCIRDTI-UHFFFAOYSA-N 0 0 420.896 5.915 50 0 HKAARN CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 ZINC000017092493 569274745 /nfs/dbraw/zinc/27/47/45/569274745.db2.gz BQGWACCBRWAWGA-UHFFFAOYSA-N 0 0 420.900 5.206 50 0 HKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000017092515 558820958 /nfs/dbraw/zinc/82/09/58/558820958.db2.gz YYCGSOYHWUALGP-MDWZMJQESA-N 0 0 420.921 6.277 50 0 HKAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000017092520 558820909 /nfs/dbraw/zinc/82/09/09/558820909.db2.gz NIHLAWGPUFZPSJ-UHFFFAOYSA-N 0 0 420.925 5.538 50 0 HKAARN CCc1c(C)scc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1CC ZINC000017092556 558821064 /nfs/dbraw/zinc/82/10/64/558821064.db2.gz DALDQERMTQPBDM-UHFFFAOYSA-N 0 0 420.991 5.282 50 0 HKAARN Cc1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C(C)C)cs1 ZINC000017092557 558821101 /nfs/dbraw/zinc/82/11/01/558821101.db2.gz ZACCTCREAMVPIM-UHFFFAOYSA-N 0 0 420.991 5.589 50 0 HKAARN CCCc1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cs1 ZINC000017092558 558821156 /nfs/dbraw/zinc/82/11/56/558821156.db2.gz UYFOINSFOZJKBF-UHFFFAOYSA-N 0 0 420.991 5.189 50 0 HKAARN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017092598 559122738 /nfs/dbraw/zinc/12/27/38/559122738.db2.gz GZHPPSKSIXMDKX-UHFFFAOYSA-N 0 0 421.305 5.394 50 0 HKAARN Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000017092620 558821159 /nfs/dbraw/zinc/82/11/59/558821159.db2.gz GITLRZVKOJOGTN-UHFFFAOYSA-N 0 0 421.327 7.078 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(Cc2ccc(Cl)cc2Cl)c1-c1cccc(C)c1 ZINC000017092639 558821076 /nfs/dbraw/zinc/82/10/76/558821076.db2.gz VMPRFBDZTHFEST-UHFFFAOYSA-N 0 0 421.371 7.497 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017092641 558821144 /nfs/dbraw/zinc/82/11/44/558821144.db2.gz YWRYSENNNVTHFI-UHFFFAOYSA-N 0 0 421.371 7.747 50 0 HKAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Br)c1)CCCCCC3 ZINC000017092642 558821116 /nfs/dbraw/zinc/82/11/16/558821116.db2.gz OPTCQGYYDXUPRR-UHFFFAOYSA-N 0 0 421.385 5.531 50 0 HKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000017092756 558821203 /nfs/dbraw/zinc/82/12/03/558821203.db2.gz QQPKHCSRFPQGJQ-UHFFFAOYSA-N 0 0 421.525 6.959 50 0 HKAARN Cc1sc(-n2nc(-c3cccc(C)c3)cc2-c2cccc(C)c2)nc1-c1ccccc1 ZINC000017092785 526865724 /nfs/dbraw/zinc/86/57/24/526865724.db2.gz KHBJFOKRKCCUAO-UHFFFAOYSA-N 0 0 421.569 7.255 50 0 HKAARN Cc1c(-c2cccc(C)c2)nn(-c2nc(-c3ccccc3)cs2)c1-c1cccc(C)c1 ZINC000017092786 558821259 /nfs/dbraw/zinc/82/12/59/558821259.db2.gz KDWPGMVKGODXPC-UHFFFAOYSA-N 0 0 421.569 7.255 50 0 HKAARN Cc1sc(-n2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)nc1-c1ccccc1 ZINC000017092787 526865096 /nfs/dbraw/zinc/86/50/96/526865096.db2.gz HNSXKZXRYGRWLT-UHFFFAOYSA-N 0 0 421.569 7.255 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(-c2nc(-c3ccccc3)cs2)c1-c1ccc(C)cc1 ZINC000017092788 558821274 /nfs/dbraw/zinc/82/12/74/558821274.db2.gz KSKRBFNGOUCPDC-UHFFFAOYSA-N 0 0 421.569 7.255 50 0 HKAARN CCCn1c(SCc2ccc(F)cc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017092865 521634635 /nfs/dbraw/zinc/63/46/35/521634635.db2.gz VFTYBQRSTXPOOJ-UHFFFAOYSA-N 0 0 421.994 6.380 50 0 HKAARN CCCCc1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)cc1 ZINC000017092866 558821192 /nfs/dbraw/zinc/82/11/92/558821192.db2.gz AOFOIPCJFCEZAH-UHFFFAOYSA-N 0 0 421.994 6.125 50 0 HKAARN CC(C)n1c(SCc2ccc(F)cc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017092867 558821195 /nfs/dbraw/zinc/82/11/95/558821195.db2.gz PCPMLNFVCHKSSW-UHFFFAOYSA-N 0 0 421.994 6.551 50 0 HKAARN CCCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017092868 558821431 /nfs/dbraw/zinc/82/14/31/558821431.db2.gz IVECVJFERALRCP-UHFFFAOYSA-N 0 0 421.994 6.380 50 0 HKAARN CC[C@@H](C)c1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)cc1 ZINC000017092869 558821424 /nfs/dbraw/zinc/82/14/24/558821424.db2.gz MZQZLEQJFYOICB-CYBMUJFWSA-N 0 0 421.994 6.295 50 0 HKAARN CC[C@H](C)c1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)cc1 ZINC000017092870 558821417 /nfs/dbraw/zinc/82/14/17/558821417.db2.gz MZQZLEQJFYOICB-ZDUSSCGKSA-N 0 0 421.994 6.295 50 0 HKAARN CC(C)n1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017092871 519922656 /nfs/dbraw/zinc/92/26/56/519922656.db2.gz KHODSPDEWKKUTP-UHFFFAOYSA-N 0 0 421.994 6.551 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCc1cccnc1 ZINC000017092904 525507406 /nfs/dbraw/zinc/50/74/06/525507406.db2.gz WWDBDVADXTVYNG-UHFFFAOYSA-N 0 0 422.315 5.842 50 0 HKAARN CCc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)c3cccc(Cl)c3n2)cc1 ZINC000017092909 523852664 /nfs/dbraw/zinc/85/26/64/523852664.db2.gz SSCQOEJDBVNBPR-UHFFFAOYSA-N 0 0 422.315 6.418 50 0 HKAARN Cc1cc(OCc2nnc(SC(=O)c3ccc(Cl)cc3)n2C)cc(C)c1Cl ZINC000017092914 525376096 /nfs/dbraw/zinc/37/60/96/525376096.db2.gz SXQIYRZDYVRACT-UHFFFAOYSA-N 0 0 422.337 5.250 50 0 HKAARN Cc1cccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)n2C)c1 ZINC000017092937 558821434 /nfs/dbraw/zinc/82/14/34/558821434.db2.gz SQOMYOGBWJCTKN-UHFFFAOYSA-N 0 0 422.381 5.734 50 0 HKAARN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000017092938 558821418 /nfs/dbraw/zinc/82/14/18/558821418.db2.gz SBROCGLBPNAGHT-ZDUSSCGKSA-N 0 0 422.381 6.117 50 0 HKAARN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000017092939 524008467 /nfs/dbraw/zinc/00/84/67/524008467.db2.gz SBROCGLBPNAGHT-CYBMUJFWSA-N 0 0 422.381 6.117 50 0 HKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000017093032 525687934 /nfs/dbraw/zinc/68/79/34/525687934.db2.gz YZNPERLBLOXNLT-UHFFFAOYSA-N 0 0 422.463 5.787 50 0 HKAARN Cc1scc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C(C)C)c1C ZINC000017093144 558821500 /nfs/dbraw/zinc/82/15/00/558821500.db2.gz IHEWXXRHALYRIO-UHFFFAOYSA-N 0 0 422.526 5.213 50 0 HKAARN COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC ZINC000017093181 558821506 /nfs/dbraw/zinc/82/15/06/558821506.db2.gz NEFUDCJEZMIUTB-UHFFFAOYSA-N 0 0 422.525 5.675 50 0 HKAARN CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccccc1 ZINC000017093192 558821495 /nfs/dbraw/zinc/82/14/95/558821495.db2.gz IMUKDNNOOZOCJB-UHFFFAOYSA-N 0 0 422.535 5.110 50 0 HKAARN CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017093195 558821510 /nfs/dbraw/zinc/82/15/10/558821510.db2.gz HGCVXOIYGWUGMG-UHFFFAOYSA-N 0 0 422.535 5.110 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCc2ccccc2C1 ZINC000017093249 558821706 /nfs/dbraw/zinc/82/17/06/558821706.db2.gz WVKIJQNEFIWWPW-UHFFFAOYSA-N 0 0 422.575 5.347 50 0 HKAARN Cc1sc2[nH]c(=S)n(-c3cc(C(C)(C)C)ccc3O)c(=O)c2c1-c1ccccc1 ZINC000017093250 558821702 /nfs/dbraw/zinc/82/17/02/558821702.db2.gz RIGRLCRDVNITMI-UHFFFAOYSA-N 0 0 422.575 5.714 50 0 HKAARN COC(=O)c1c(NC(=S)N2CCc3ccccc3C2)sc(C)c1-c1ccccc1 ZINC000017093251 558821634 /nfs/dbraw/zinc/82/16/34/558821634.db2.gz YCJBEXQTHMTFPA-UHFFFAOYSA-N 0 0 422.575 5.265 50 0 HKAARN COC(=O)c1c(NC(=S)N2c3ccccc3C[C@@H]2C)sc(C)c1-c1ccccc1 ZINC000017093253 558821676 /nfs/dbraw/zinc/82/16/76/558821676.db2.gz FVPXMYUWBNVRED-AWEZNQCLSA-N 0 0 422.575 5.658 50 0 HKAARN COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc(C)c1-c1ccccc1 ZINC000017093254 558821694 /nfs/dbraw/zinc/82/16/94/558821694.db2.gz FVPXMYUWBNVRED-CQSZACIVSA-N 0 0 422.575 5.658 50 0 HKAARN CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2ccccc2)n1 ZINC000017093261 558821686 /nfs/dbraw/zinc/82/16/86/558821686.db2.gz PGMOQPIHFNZAKW-UHFFFAOYSA-N 0 0 422.579 5.601 50 0 HKAARN Cc1ccc(-c2nc(CSc3nnc(COc4cccc(C)c4)n3C)cs2)cc1 ZINC000017093262 558821681 /nfs/dbraw/zinc/82/16/81/558821681.db2.gz PCQMZNUMHXBEHR-UHFFFAOYSA-N 0 0 422.579 5.427 50 0 HKAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1csc2ccccc12 ZINC000017093263 558821700 /nfs/dbraw/zinc/82/17/00/558821700.db2.gz ICUDMDGEGGLXNT-UHFFFAOYSA-N 0 0 422.579 5.527 50 0 HKAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017093310 571314171 /nfs/dbraw/zinc/31/41/71/571314171.db2.gz UOKUTSPRRIYWPS-UHFFFAOYSA-N 0 0 422.881 5.633 50 0 HKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2c(F)cccc2Cl)n1 ZINC000017093311 558821802 /nfs/dbraw/zinc/82/18/02/558821802.db2.gz MMHAXOBFQPUBBD-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1ccccc1-c1nn(Cc2ccccc2F)c(-c2ccccc2OC)c1Cl ZINC000017093312 558821805 /nfs/dbraw/zinc/82/18/05/558821805.db2.gz LQJHBIPQKAGMKX-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3c(F)cccc3Cl)n2)c1 ZINC000017093313 558821841 /nfs/dbraw/zinc/82/18/41/558821841.db2.gz KLGRJENGAUFYDN-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(F)cc3Cl)n2)c1 ZINC000017093314 558821836 /nfs/dbraw/zinc/82/18/36/558821836.db2.gz HKULMQHPRMEOKX-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1ccccc1-c1nn(Cc2cccc(F)c2)c(-c2ccccc2OC)c1Cl ZINC000017093315 558821822 /nfs/dbraw/zinc/82/18/22/558821822.db2.gz WIROYDUELWXRGN-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017093316 558821790 /nfs/dbraw/zinc/82/17/90/558821790.db2.gz BZOLJPSTXHTQLV-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2nn(Cc3cccc(F)c3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017093317 558821829 /nfs/dbraw/zinc/82/18/29/558821829.db2.gz HOAIBYRMBWHERW-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN COc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017093318 558821824 /nfs/dbraw/zinc/82/18/24/558821824.db2.gz SCVAQOWQLRGHQN-UHFFFAOYSA-N 0 0 422.887 6.075 50 0 HKAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017093330 558821830 /nfs/dbraw/zinc/82/18/30/558821830.db2.gz YMSCFTXLCVUHSG-UHFFFAOYSA-N 0 0 422.893 5.443 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000017093332 558821838 /nfs/dbraw/zinc/82/18/38/558821838.db2.gz IYFKKHNQMNQSKN-UHFFFAOYSA-N 0 0 422.893 5.640 50 0 HKAARN Cc1c(Cl)ccc2c(C(=O)N3CCC(C)CC3)cc(-c3ccc4c(c3)OCO4)nc12 ZINC000017093345 558821834 /nfs/dbraw/zinc/82/18/34/558821834.db2.gz KOOFOOXUHFUCRI-UHFFFAOYSA-N 0 0 422.912 5.464 50 0 HKAARN Cc1c(Cl)ccc2c(C(=O)N3CCCCCC3)cc(-c3ccc4c(c3)OCO4)nc12 ZINC000017093346 558821817 /nfs/dbraw/zinc/82/18/17/558821817.db2.gz HBJDJIISXPTEQP-UHFFFAOYSA-N 0 0 422.912 5.609 50 0 HKAARN CCc1c(-c2ccc(OC)cc2)nn(Cn2cc(Cl)cn2)c1-c1ccc(OC)cc1 ZINC000017093354 558821813 /nfs/dbraw/zinc/82/18/13/558821813.db2.gz IQACJBMRMGLURY-UHFFFAOYSA-N 0 0 422.916 5.152 50 0 HKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3nc(C)c(Cl)c3C)n2)c1 ZINC000017093355 558821832 /nfs/dbraw/zinc/82/18/32/558821832.db2.gz NJRHDCYPCHNYST-UHFFFAOYSA-N 0 0 422.916 5.207 50 0 HKAARN O=C(NC1CCCC1)c1ccsc1NC(=O)c1sc2cccc(F)c2c1Cl ZINC000017093361 558821812 /nfs/dbraw/zinc/82/18/12/558821812.db2.gz NFEPNZOWLYELOB-UHFFFAOYSA-N 0 0 422.934 5.680 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000017093368 569274720 /nfs/dbraw/zinc/27/47/20/569274720.db2.gz LZOHSYQPRTZLEJ-UHFFFAOYSA-N 0 0 422.937 6.656 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000017093370 569274717 /nfs/dbraw/zinc/27/47/17/569274717.db2.gz WXPFRDHPZRDIMT-UHFFFAOYSA-N 0 0 422.937 6.658 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000017093382 558821819 /nfs/dbraw/zinc/82/18/19/558821819.db2.gz HXEUDAACUISYSS-UHFFFAOYSA-N 0 0 422.937 6.656 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017093392 520447202 /nfs/dbraw/zinc/44/72/02/520447202.db2.gz VZFRKQGWMLTMBT-UHFFFAOYSA-N 0 0 422.937 6.658 50 0 HKAARN COc1ccc(Cl)cc1NC(=S)Nc1nc2ccccc2n1Cc1ccccc1 ZINC000017093411 558821978 /nfs/dbraw/zinc/82/19/78/558821978.db2.gz ULRNTJBNFXSVQQ-UHFFFAOYSA-N 0 0 422.941 5.556 50 0 HKAARN Cc1ccc(-c2nn(C3CCCC3)c(-c3ccc(C)c(C)c3)c2Br)cc1C ZINC000017093509 558821975 /nfs/dbraw/zinc/82/19/75/558821975.db2.gz IYWHGHMZZMMQPQ-UHFFFAOYSA-N 0 0 423.398 7.328 50 0 HKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc2c1CCCC2 ZINC000017093631 558822114 /nfs/dbraw/zinc/82/21/14/558822114.db2.gz KVMVSJVZIKGIHL-UHFFFAOYSA-N 0 0 423.529 6.216 50 0 HKAARN O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)/C(=C/c1ccccc1)c1ccccc1 ZINC000017093651 558822137 /nfs/dbraw/zinc/82/21/37/558822137.db2.gz NHVSDJAFDFDTJJ-PCLIKHOPSA-N 0 0 423.560 5.988 50 0 HKAARN S=C1N=NC([C@@H](Sc2ccccc2)c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000017093754 558822293 /nfs/dbraw/zinc/82/22/93/558822293.db2.gz XHRAWGSZYAOKQC-FQEVSTJZSA-N 0 0 423.994 6.150 50 0 HKAARN S=C1N=NC([C@H](Sc2ccccc2)c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000017093755 558822211 /nfs/dbraw/zinc/82/22/11/558822211.db2.gz XHRAWGSZYAOKQC-HXUWFJFHSA-N 0 0 423.994 6.150 50 0 HKAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000017093808 558822274 /nfs/dbraw/zinc/82/22/74/558822274.db2.gz MONQVLOUNYYKOC-UHFFFAOYSA-N 0 0 424.353 5.485 50 0 HKAARN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 ZINC000017093838 558822286 /nfs/dbraw/zinc/82/22/86/558822286.db2.gz XEEVRNASDVXLQE-UHFFFAOYSA-N 0 0 424.422 6.504 50 0 HKAARN CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017093839 558822239 /nfs/dbraw/zinc/82/22/39/558822239.db2.gz XMZYUMQUBVKCKZ-UHFFFAOYSA-N 0 0 424.422 6.504 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000017093953 524240516 /nfs/dbraw/zinc/24/05/16/524240516.db2.gz WEABHANXSIURNF-UHFFFAOYSA-N 0 0 424.500 6.315 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2F)sc2c1CCCCCC2 ZINC000017094044 558822508 /nfs/dbraw/zinc/82/25/08/558822508.db2.gz HALLXKYBBXNEHS-UHFFFAOYSA-N 0 0 424.538 5.671 50 0 HKAARN COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)cc1 ZINC000017094047 558822522 /nfs/dbraw/zinc/82/25/22/558822522.db2.gz BJIZODXYHUINGR-UHFFFAOYSA-N 0 0 424.544 6.286 50 0 HKAARN Cc1ccc2nc(NC(=O)CCCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 ZINC000017094068 526253420 /nfs/dbraw/zinc/25/34/20/526253420.db2.gz QPGBZFAZDVDMCK-UHFFFAOYSA-N 0 0 424.551 5.270 50 0 HKAARN Cc1cccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 ZINC000017094089 558822538 /nfs/dbraw/zinc/82/25/38/558822538.db2.gz DQJROTUCKQMOCR-HWWKNPRSSA-N 0 0 424.588 6.545 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCc1ccc(C)cc1 ZINC000017094090 558822510 /nfs/dbraw/zinc/82/25/10/558822510.db2.gz NGLNPOPGONHMGG-UHFFFAOYSA-N 0 0 424.591 5.311 50 0 HKAARN COC(=O)c1cc(C)sc1NC(=S)NCCC(c1ccccc1)c1ccccc1 ZINC000017094091 558822514 /nfs/dbraw/zinc/82/25/14/558822514.db2.gz MGUOTVFMTVYQOK-UHFFFAOYSA-N 0 0 424.591 5.352 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl ZINC000017094130 520916900 /nfs/dbraw/zinc/91/69/00/520916900.db2.gz XRWPWAUFXPHHFV-UHFFFAOYSA-N 0 0 424.863 5.172 50 0 HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)n1 ZINC000017094155 558822520 /nfs/dbraw/zinc/82/25/20/558822520.db2.gz MLDCEPZAPPDOII-MSXZJTTLSA-N 0 0 424.888 5.179 50 0 HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1 ZINC000017094156 558822521 /nfs/dbraw/zinc/82/25/21/558822521.db2.gz MLDCEPZAPPDOII-FACSGPCESA-N 0 0 424.888 5.179 50 0 HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)n1 ZINC000017094157 558822536 /nfs/dbraw/zinc/82/25/36/558822536.db2.gz MLDCEPZAPPDOII-AICYPDIBSA-N 0 0 424.888 5.179 50 0 HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n1 ZINC000017094158 558822529 /nfs/dbraw/zinc/82/25/29/558822529.db2.gz MLDCEPZAPPDOII-HMQXFQBYSA-N 0 0 424.888 5.179 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3cc(Cl)ccc3n2)s1 ZINC000017094167 558822525 /nfs/dbraw/zinc/82/25/25/558822525.db2.gz GMLKHLCAHVLEDC-UHFFFAOYSA-N 0 0 424.928 6.248 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCc3cnn(CC)c3)c3cc(Cl)ccc3n2)s1 ZINC000017094241 558822523 /nfs/dbraw/zinc/82/25/23/558822523.db2.gz CDHPVKXSUHMYRZ-UHFFFAOYSA-N 0 0 424.957 5.326 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)c3cc(Cl)ccc3n2)s1 ZINC000017094243 558822515 /nfs/dbraw/zinc/82/25/15/558822515.db2.gz UKNVRHOAFPOBEV-UHFFFAOYSA-N 0 0 424.957 5.151 50 0 HKAARN CCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3cc(Cl)ccc3n2)s1 ZINC000017094244 558822505 /nfs/dbraw/zinc/82/25/05/558822505.db2.gz JRFDYKPTDLSXJK-UHFFFAOYSA-N 0 0 424.957 5.151 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000017105982 558822623 /nfs/dbraw/zinc/82/26/23/558822623.db2.gz XKAJRODAYHSQBC-CQSZACIVSA-N 0 0 420.460 5.022 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000017105984 558822663 /nfs/dbraw/zinc/82/26/63/558822663.db2.gz XKAJRODAYHSQBC-AWEZNQCLSA-N 0 0 420.460 5.022 50 0 HKAARN C(=C1\CCc2c1nc1c(c2-c2ccccc2)CC/C1=C\c1ccccc1)\c1ccccc1 ZINC000017107597 569274837 /nfs/dbraw/zinc/27/48/37/569274837.db2.gz YPPVZSOXITUTQJ-XAESMMJOSA-N 0 0 411.548 7.722 50 0 HKAARN COC(=O)C[C@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000017111702 558822616 /nfs/dbraw/zinc/82/26/16/558822616.db2.gz CYKNIQPTNMENKI-PZUNEJSGSA-N 0 0 406.547 5.369 50 0 HKAARN COC(=O)C[C@H](c1ccccc1)[C@H](SCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000017111706 558822627 /nfs/dbraw/zinc/82/26/27/558822627.db2.gz CYKNIQPTNMENKI-VJTSUQJLSA-N 0 0 406.547 5.369 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000017112364 558822764 /nfs/dbraw/zinc/82/27/64/558822764.db2.gz WKFJBHBXZNLTFE-UHFFFAOYSA-N 0 0 423.325 5.685 50 0 HKAARN CC(C)=CCC/C(C)=C\COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000017112664 569274838 /nfs/dbraw/zinc/27/48/38/569274838.db2.gz FITWQBRIABOSIH-PDGQHHTCSA-N 0 0 408.925 7.185 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)cc1 ZINC000017112898 569274932 /nfs/dbraw/zinc/27/49/32/569274932.db2.gz VOWDPGNFWFLIAL-UHFFFAOYSA-N 0 0 415.464 6.149 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1 ZINC000017112937 569274973 /nfs/dbraw/zinc/27/49/73/569274973.db2.gz FDTKPPGCMPVOLB-UHFFFAOYSA-N 0 0 403.503 6.071 50 0 HKAARN CC(C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017113131 558822783 /nfs/dbraw/zinc/82/27/83/558822783.db2.gz OREOEBFYTQYIOB-UHFFFAOYSA-N 0 0 406.921 5.671 50 0 HKAARN COc1ccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000017113135 558822800 /nfs/dbraw/zinc/82/28/00/558822800.db2.gz GZDBUMKAGBXFDP-UHFFFAOYSA-N 0 0 402.502 5.026 50 0 HKAARN COc1cccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017113137 558822801 /nfs/dbraw/zinc/82/28/01/558822801.db2.gz BRAOGZARISPLER-UHFFFAOYSA-N 0 0 402.502 5.026 50 0 HKAARN CC(C)c1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 ZINC000017113617 569274934 /nfs/dbraw/zinc/27/49/34/569274934.db2.gz UNWDHXMFYHWNIJ-UHFFFAOYSA-N 0 0 411.958 5.363 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000017113648 558822790 /nfs/dbraw/zinc/82/27/90/558822790.db2.gz FVEVYCZTBOIDFK-UHFFFAOYSA-N 0 0 402.523 5.251 50 0 HKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000017113707 569274943 /nfs/dbraw/zinc/27/49/43/569274943.db2.gz BIKGGVPWWMXSEL-UHFFFAOYSA-N 0 0 417.892 6.489 50 0 HKAARN CC(C)c1nnc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)s1 ZINC000017113728 569274936 /nfs/dbraw/zinc/27/49/36/569274936.db2.gz TWOKSQSATIOCQQ-UHFFFAOYSA-N 0 0 419.548 6.181 50 0 HKAARN COc1ccc(-n2c(-c3ccc(C)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 ZINC000017117737 558822909 /nfs/dbraw/zinc/82/29/09/558822909.db2.gz PGZKGWWCBOJPNV-IZHYLOQSSA-N 0 0 400.503 5.264 50 0 HKAARN O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000017117769 558822915 /nfs/dbraw/zinc/82/29/15/558822915.db2.gz QNAKEJQPOJTLMM-HMMYKYKNSA-N 0 0 414.917 5.291 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(OC)c1 ZINC000017118276 558822940 /nfs/dbraw/zinc/82/29/40/558822940.db2.gz RNHRWFBDBPMUOY-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(OC)c1 ZINC000017118278 558822932 /nfs/dbraw/zinc/82/29/32/558822932.db2.gz RNHRWFBDBPMUOY-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000017118296 558822964 /nfs/dbraw/zinc/82/29/64/558822964.db2.gz MAYMJXAJKOKCGA-BZZOAKBMSA-N 0 0 401.853 5.871 50 0 HKAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc1Cl ZINC000017120585 569274952 /nfs/dbraw/zinc/27/49/52/569274952.db2.gz XTEONKVYJCIFRY-MRXNPFEDSA-N 0 0 423.944 5.450 50 0 HKAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)cc1Cl ZINC000017120590 569274995 /nfs/dbraw/zinc/27/49/95/569274995.db2.gz XTEONKVYJCIFRY-INIZCTEOSA-N 0 0 423.944 5.450 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl ZINC000017120629 558823122 /nfs/dbraw/zinc/82/31/22/558823122.db2.gz YYORKMUMLPLPGL-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl ZINC000017120700 569275083 /nfs/dbraw/zinc/27/50/83/569275083.db2.gz VEYCPNIQHINZFV-UHFFFAOYSA-N 0 0 420.321 5.192 50 0 HKAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000017120852 558823085 /nfs/dbraw/zinc/82/30/85/558823085.db2.gz IHOOMNFNZGNDDM-UHFFFAOYSA-N 0 0 417.944 5.236 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000017121255 558823076 /nfs/dbraw/zinc/82/30/76/558823076.db2.gz KIRJTKYHRXLYER-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000017121279 569275089 /nfs/dbraw/zinc/27/50/89/569275089.db2.gz ANTYCCGCUBWEQI-UHFFFAOYSA-N 0 0 420.321 5.192 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)Nc1ccccc1 ZINC000017121923 569275085 /nfs/dbraw/zinc/27/50/85/569275085.db2.gz HMLTVKQRIKPBCN-UHFFFAOYSA-N 0 0 414.578 5.621 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccco1)C(=S)NC1CCCCC1 ZINC000017121925 569275084 /nfs/dbraw/zinc/27/50/84/569275084.db2.gz BEGNJYVJGMQITJ-UHFFFAOYSA-N 0 0 409.599 5.630 50 0 HKAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccncc1)C(=S)Nc1ccccc1 ZINC000017121960 569275123 /nfs/dbraw/zinc/27/51/23/569275123.db2.gz IQAUHCHSQYTMIT-UHFFFAOYSA-N 0 0 414.578 5.621 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1 ZINC000017122721 569275261 /nfs/dbraw/zinc/27/52/61/569275261.db2.gz JCUQDJCETIOPDQ-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Clc1ccc2nc(Nc3ccc(Br)cc3)nc(-c3ccccc3)c2c1 ZINC000017122991 558823262 /nfs/dbraw/zinc/82/32/62/558823262.db2.gz DEBGMKHDBCKKGY-UHFFFAOYSA-N 0 0 410.702 6.456 50 0 HKAARN Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2C)c1 ZINC000017123009 569275225 /nfs/dbraw/zinc/27/52/25/569275225.db2.gz PISUEEAAWNOMQA-UHFFFAOYSA-N 0 0 411.577 5.116 50 0 HKAARN CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccccc3C)c3ccccc32)cc1 ZINC000017123024 558823274 /nfs/dbraw/zinc/82/32/74/558823274.db2.gz IPNRRDLAWQYPPC-UHFFFAOYSA-N 0 0 410.521 5.831 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 ZINC000017123179 558823321 /nfs/dbraw/zinc/82/33/21/558823321.db2.gz WSCOKSJXHBGGDM-FGZHOGPDSA-N 0 0 419.521 5.273 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c1 ZINC000017123202 558823289 /nfs/dbraw/zinc/82/32/89/558823289.db2.gz HFBVUGUPDVRVNN-UHFFFAOYSA-N 0 0 400.479 5.332 50 0 HKAARN Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000017123229 558823298 /nfs/dbraw/zinc/82/32/98/558823298.db2.gz AHNYDDJIURGIKE-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1cccc(CSCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000017123281 558823335 /nfs/dbraw/zinc/82/33/35/558823335.db2.gz RJRGZHZDDVRATL-UHFFFAOYSA-N 0 0 404.948 5.577 50 0 HKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3ccc(C(=O)OC)cc3)n2)cc1 ZINC000017123694 558823336 /nfs/dbraw/zinc/82/33/36/558823336.db2.gz YNIUQIPZPXDFKY-UHFFFAOYSA-N 0 0 413.477 5.616 50 0 HKAARN Cc1ccc(NC(=O)Nc2nnc(Cc3cccc(Br)c3)s2)cc1C ZINC000017124118 558823279 /nfs/dbraw/zinc/82/32/79/558823279.db2.gz XNVZSTCPAWIHHU-UHFFFAOYSA-N 0 0 417.332 5.152 50 0 HKAARN CCOc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3Cl)oc21 ZINC000017130817 558823418 /nfs/dbraw/zinc/82/34/18/558823418.db2.gz YBCZUCYJZJKVHK-COOPMVRXSA-N 0 0 415.880 6.261 50 0 HKAARN COc1ccc2o/c(=N\c3ccccc3Cl)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000017130830 525682676 /nfs/dbraw/zinc/68/26/76/525682676.db2.gz AGUZLWINDCZYHS-VYIQYICTSA-N 0 0 401.853 5.871 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000017130868 558823466 /nfs/dbraw/zinc/82/34/66/558823466.db2.gz WYZWKEMFLPGZIL-ROMGYVFFSA-N 0 0 409.272 6.224 50 0 HKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3Cl)oc21 ZINC000017130879 558823381 /nfs/dbraw/zinc/82/33/81/558823381.db2.gz FZVFOHMBORPLSA-VYIQYICTSA-N 0 0 401.853 5.871 50 0 HKAARN Cc1cccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135426 569275194 /nfs/dbraw/zinc/27/51/94/569275194.db2.gz XBTLZJUXQNIUFN-UHFFFAOYSA-N 0 0 412.541 6.002 50 0 HKAARN Cc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135434 558823467 /nfs/dbraw/zinc/82/34/67/558823467.db2.gz SHQAENZXDJCFCJ-UHFFFAOYSA-N 0 0 424.552 6.170 50 0 HKAARN Cc1cccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017135436 558823403 /nfs/dbraw/zinc/82/34/03/558823403.db2.gz PYHQAZVLTNZMLR-UHFFFAOYSA-N 0 0 416.529 5.095 50 0 HKAARN Cc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135443 569275258 /nfs/dbraw/zinc/27/52/58/569275258.db2.gz PLSALCSEJOOEJZ-UHFFFAOYSA-N 0 0 420.520 5.522 50 0 HKAARN Cc1cccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135444 558823608 /nfs/dbraw/zinc/82/36/08/558823608.db2.gz HOYJFFLJSQPXTN-UHFFFAOYSA-N 0 0 424.483 5.619 50 0 HKAARN Cc1cccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135445 558823610 /nfs/dbraw/zinc/82/36/10/558823610.db2.gz OLZPULVRJWNBJV-UHFFFAOYSA-N 0 0 406.493 5.480 50 0 HKAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000017135521 569275297 /nfs/dbraw/zinc/27/52/97/569275297.db2.gz FDPTZUOPXHYNPF-UHFFFAOYSA-N 0 0 422.575 5.101 50 0 HKAARN Cc1cccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)c1C ZINC000017135627 569275335 /nfs/dbraw/zinc/27/53/35/569275335.db2.gz OEUCXOQYIUXMDL-QGZVFWFLSA-N 0 0 403.526 5.105 50 0 HKAARN Cc1cccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)c1C ZINC000017135628 569275363 /nfs/dbraw/zinc/27/53/63/569275363.db2.gz OEUCXOQYIUXMDL-KRWDZBQOSA-N 0 0 403.526 5.105 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000017135778 569275379 /nfs/dbraw/zinc/27/53/79/569275379.db2.gz HMMSAPQSOCFNPW-UHFFFAOYSA-N 0 0 414.918 5.239 50 0 HKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)n1 ZINC000017135872 569275282 /nfs/dbraw/zinc/27/52/82/569275282.db2.gz JMGVMHHWBVQMGN-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1C ZINC000017135905 569275321 /nfs/dbraw/zinc/27/53/21/569275321.db2.gz DIOGRMLOOIGOTL-UHFFFAOYSA-N 0 0 411.577 5.116 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000017135950 558823571 /nfs/dbraw/zinc/82/35/71/558823571.db2.gz VIFKOXJFCUFGBF-UHFFFAOYSA-N 0 0 408.914 5.089 50 0 HKAARN Cc1ccccc1Nc1nc(NC2CCCCCC2)nc2c1cnn2-c1ccccc1 ZINC000017136018 558823579 /nfs/dbraw/zinc/82/35/79/558823579.db2.gz FETFSBUDZFNAGW-UHFFFAOYSA-N 0 0 412.541 6.002 50 0 HKAARN Cc1ccccc1Nc1nc(NCCC2=CCCCC2)nc2c1cnn2-c1ccccc1 ZINC000017136023 558823581 /nfs/dbraw/zinc/82/35/81/558823581.db2.gz JKKKPAKQCBCZHN-UHFFFAOYSA-N 0 0 424.552 6.170 50 0 HKAARN Cc1ccccc1Nc1nc(NCCCOC(C)C)nc2c1cnn2-c1ccccc1 ZINC000017136025 558823614 /nfs/dbraw/zinc/82/36/14/558823614.db2.gz QUZJDSUDMCVXKB-UHFFFAOYSA-N 0 0 416.529 5.095 50 0 HKAARN Cc1ccccc1Nc1nc(NCc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000017136033 558823624 /nfs/dbraw/zinc/82/36/24/558823624.db2.gz GOKAUPBSLYBZHO-UHFFFAOYSA-N 0 0 406.493 5.480 50 0 HKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000017137648 558823600 /nfs/dbraw/zinc/82/36/00/558823600.db2.gz NBVZQDPNIAATDH-UHFFFAOYSA-N 0 0 423.438 6.848 50 0 HKAARN COc1cccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)c1 ZINC000017137918 558823578 /nfs/dbraw/zinc/82/35/78/558823578.db2.gz HUVOWJRZWUGDPS-UHFFFAOYSA-N 0 0 420.947 5.278 50 0 HKAARN CSc1nc(=O)c2c3c(sc2[nH]1)[C@H](c1ccccc1)S[C@H](c1ccccc1)C3 ZINC000017138705 558823711 /nfs/dbraw/zinc/82/37/11/558823711.db2.gz POUIJHJIIZDENG-WMZOPIPTSA-N 0 0 422.600 5.827 50 0 HKAARN CSc1nc(=O)c2c3c(sc2[nH]1)[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C3 ZINC000017138706 558823780 /nfs/dbraw/zinc/82/37/80/558823780.db2.gz POUIJHJIIZDENG-SJLPKXTDSA-N 0 0 422.600 5.827 50 0 HKAARN C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000017138742 558823722 /nfs/dbraw/zinc/82/37/22/558823722.db2.gz DWVPQNLKURFDOJ-AREMUKBSSA-N 0 0 416.590 6.123 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000017139169 558823768 /nfs/dbraw/zinc/82/37/68/558823768.db2.gz ZAILECYTTZOLET-UHFFFAOYSA-N 0 0 411.339 5.781 50 0 HKAARN Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000017139175 558823800 /nfs/dbraw/zinc/82/38/00/558823800.db2.gz PPZRWTWOIPKTKX-UHFFFAOYSA-N 0 0 416.506 5.146 50 0 HKAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000017143553 558823886 /nfs/dbraw/zinc/82/38/86/558823886.db2.gz ZRLFIXJRKNCCHY-FATVKVNYSA-N 0 0 421.496 5.132 50 0 HKAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000017143557 568532730 /nfs/dbraw/zinc/53/27/30/568532730.db2.gz ZRLFIXJRKNCCHY-ASDGIDEWSA-N 0 0 421.496 5.132 50 0 HKAARN COc1ccccc1NC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 ZINC000017145521 558823889 /nfs/dbraw/zinc/82/38/89/558823889.db2.gz JYHSWEOWVIJWEK-UHFFFAOYSA-N 0 0 409.298 5.088 50 0 HKAARN COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000017145684 558823867 /nfs/dbraw/zinc/82/38/67/558823867.db2.gz WXYGFVPBAZSFKX-HYZSBJHASA-N 0 0 400.887 5.011 50 0 HKAARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c1OC ZINC000017146075 569275586 /nfs/dbraw/zinc/27/55/86/569275586.db2.gz SISPRYGWTWLVGT-UBWZAKNHSA-N 0 0 408.523 5.250 50 0 HKAARN CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000017146167 558824067 /nfs/dbraw/zinc/82/40/67/558824067.db2.gz BLOORDVTQXHKLI-UHFFFAOYSA-N 0 0 421.353 6.453 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000017147517 558824296 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/nfs/dbraw/zinc/35/58/51/526355851.db2.gz MLBNMIMBCBPLNM-UHFFFAOYSA-N 0 0 416.504 5.833 50 0 HKAARN Clc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200441 569276645 /nfs/dbraw/zinc/27/66/45/569276645.db2.gz AMIUNPJTRMQNLA-UHFFFAOYSA-N 0 0 416.872 5.418 50 0 HKAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)C1c2ccccc2Oc2ccccc21 ZINC000017200501 569276590 /nfs/dbraw/zinc/27/65/90/569276590.db2.gz WDMSRMIVKSKKIA-UHFFFAOYSA-N 0 0 418.456 5.273 50 0 HKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000017201067 560704478 /nfs/dbraw/zinc/70/44/78/560704478.db2.gz OSARGKIKWBXUEU-UHFFFAOYSA-N 0 0 419.456 5.438 50 0 HKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000017201071 560704509 /nfs/dbraw/zinc/70/45/09/560704509.db2.gz KTBQRZDFZRFELU-UHFFFAOYSA-N 0 0 419.456 5.438 50 0 HKAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1cccc2ccccc21 ZINC000017201150 560704496 /nfs/dbraw/zinc/70/44/96/560704496.db2.gz OVMQNCVTKJRINW-UHFFFAOYSA-N 0 0 419.937 5.392 50 0 HKAARN O=c1[nH]c(SCc2cccc3ccccc32)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000017201166 560704520 /nfs/dbraw/zinc/70/45/20/560704520.db2.gz LMXZCAASSVEQEN-UHFFFAOYSA-N 0 0 418.909 5.620 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1nc2ccccc2s1 ZINC000017201220 560704557 /nfs/dbraw/zinc/70/45/57/560704557.db2.gz MJSVMHUBLATUHG-UHFFFAOYSA-N 0 0 412.348 6.040 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2c(c1)CCCC2 ZINC000017201252 560704566 /nfs/dbraw/zinc/70/45/66/560704566.db2.gz MRHUPBZVDCDDHX-UHFFFAOYSA-N 0 0 400.503 5.800 50 0 HKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000017201256 560704532 /nfs/dbraw/zinc/70/45/32/560704532.db2.gz OYMRHRFXDIJZQP-UHFFFAOYSA-N 0 0 420.544 5.796 50 0 HKAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000017201258 560704554 /nfs/dbraw/zinc/70/45/54/560704554.db2.gz NHLDPCCGPPGIQB-UHFFFAOYSA-N 0 0 420.544 5.796 50 0 HKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc(Cl)sc1Cl ZINC000017201276 560704589 /nfs/dbraw/zinc/70/45/89/560704589.db2.gz SOYKSJZHUREWBO-UHFFFAOYSA-N 0 0 412.348 6.040 50 0 HKAARN CC(C)c1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000017205964 558825664 /nfs/dbraw/zinc/82/56/64/558825664.db2.gz FLAASIJSPZZBAW-UHFFFAOYSA-N 0 0 400.548 5.067 50 0 HKAARN CC(C)c1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000017206659 569276592 /nfs/dbraw/zinc/27/65/92/569276592.db2.gz MJVDVVWTBJIBCD-UHFFFAOYSA-N 0 0 400.548 5.067 50 0 HKAARN OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(Cl)c1 ZINC000017206682 558825642 /nfs/dbraw/zinc/82/56/42/558825642.db2.gz IYUTVBJCNSVXRQ-BZZOAKBMSA-N 0 0 406.938 5.762 50 0 HKAARN OCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1cccc(Cl)c1 ZINC000017206684 558825692 /nfs/dbraw/zinc/82/56/92/558825692.db2.gz HUCUPAPOPKTXKP-BZZOAKBMSA-N 0 0 412.986 6.142 50 0 HKAARN COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000017206760 560704007 /nfs/dbraw/zinc/70/40/07/560704007.db2.gz ZJDPVBNAKAZCKL-RUDMXATFSA-N 0 0 406.294 5.276 50 0 HKAARN C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017207721 558825869 /nfs/dbraw/zinc/82/58/69/558825869.db2.gz SZTJLRNMFJKQDZ-GGAORHGYSA-N 0 0 419.322 5.866 50 0 HKAARN C[C@]1(c2ccc(Br)cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017207722 558825854 /nfs/dbraw/zinc/82/58/54/558825854.db2.gz SZTJLRNMFJKQDZ-FYYLOGMGSA-N 0 0 419.322 5.866 50 0 HKAARN CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccc(C)cc3nc21 ZINC000017208158 569276621 /nfs/dbraw/zinc/27/66/21/569276621.db2.gz YFVFULCSBXVBAR-UHFFFAOYSA-N 0 0 414.553 6.243 50 0 HKAARN COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(Cl)cc4Cl)nc3C2)cc1 ZINC000017208679 560703978 /nfs/dbraw/zinc/70/39/78/560703978.db2.gz OOEFJIXKYLDQFV-ZDUSSCGKSA-N 0 0 414.292 5.448 50 0 HKAARN Cc1nc2c3ccccc3oc2c(Nc2ccc(O)c(-c3nc4ccccc4s3)c2)n1 ZINC000017208988 560704099 /nfs/dbraw/zinc/70/40/99/560704099.db2.gz OZKKUSUFKBZAOV-UHFFFAOYSA-N 0 0 424.485 6.410 50 0 HKAARN CCN(C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1nc2ccccc2s1 ZINC000017219042 569276709 /nfs/dbraw/zinc/27/67/09/569276709.db2.gz PBYUWBSCTJKIRB-UHFFFAOYSA-N 0 0 424.551 5.108 50 0 HKAARN Cc1cc(NC(=O)[C@@H](Sc2ncnc3sc(C)c(C)c32)c2ccccc2)no1 ZINC000017231009 560705117 /nfs/dbraw/zinc/70/51/17/560705117.db2.gz BOKUVGNHBIEZLN-KRWDZBQOSA-N 0 0 410.524 5.077 50 0 HKAARN Cc1cc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c32)c2ccccc2)no1 ZINC000017231011 560705088 /nfs/dbraw/zinc/70/50/88/560705088.db2.gz BOKUVGNHBIEZLN-QGZVFWFLSA-N 0 0 410.524 5.077 50 0 HKAARN CC(C)c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000017241713 558826115 /nfs/dbraw/zinc/82/61/15/558826115.db2.gz QEIKONHVEXBRJN-UHFFFAOYSA-N 0 0 411.296 5.217 50 0 HKAARN C[C@@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2n1 ZINC000017245334 132465391 /nfs/dbraw/zinc/46/53/91/132465391.db2.gz PYORJBUCPNKLOR-MRXNPFEDSA-N 0 0 409.917 5.285 50 0 HKAARN C[C@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2n1 ZINC000017245339 560705320 /nfs/dbraw/zinc/70/53/20/560705320.db2.gz PYORJBUCPNKLOR-INIZCTEOSA-N 0 0 409.917 5.285 50 0 HKAARN C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)C1 ZINC000017245591 560705440 /nfs/dbraw/zinc/70/54/40/560705440.db2.gz HHMHICNJVYYRKD-MRXNPFEDSA-N 0 0 409.917 5.142 50 0 HKAARN C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)C1 ZINC000017245594 132465414 /nfs/dbraw/zinc/46/54/14/132465414.db2.gz HHMHICNJVYYRKD-INIZCTEOSA-N 0 0 409.917 5.142 50 0 HKAARN C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4cccc(Cl)c4)c3n2)C1 ZINC000017245645 560705437 /nfs/dbraw/zinc/70/54/37/560705437.db2.gz RWPCUSIYDRJKQW-MRXNPFEDSA-N 0 0 409.917 5.142 50 0 HKAARN C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4cccc(Cl)c4)c3n2)C1 ZINC000017245649 560705423 /nfs/dbraw/zinc/70/54/23/560705423.db2.gz RWPCUSIYDRJKQW-INIZCTEOSA-N 0 0 409.917 5.142 50 0 HKAARN C[C@@H]1CCCN(c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)C1 ZINC000017245687 560705471 /nfs/dbraw/zinc/70/54/71/560705471.db2.gz UTZTVPAUIBYIPL-MRXNPFEDSA-N 0 0 411.343 5.813 50 0 HKAARN C[C@H]1CCCN(c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)C1 ZINC000017245691 560705474 /nfs/dbraw/zinc/70/54/74/560705474.db2.gz UTZTVPAUIBYIPL-INIZCTEOSA-N 0 0 411.343 5.813 50 0 HKAARN C[C@@H]1CCCN(c2ccc3cccc(OCc4ccc(C(F)(F)F)cc4)c3n2)C1 ZINC000017245705 560705442 /nfs/dbraw/zinc/70/54/42/560705442.db2.gz ARANBCPGXAPBCK-MRXNPFEDSA-N 0 0 400.444 6.069 50 0 HKAARN C[C@H]1CCCN(c2ccc3cccc(OCc4ccc(C(F)(F)F)cc4)c3n2)C1 ZINC000017245709 560705485 /nfs/dbraw/zinc/70/54/85/560705485.db2.gz ARANBCPGXAPBCK-INIZCTEOSA-N 0 0 400.444 6.069 50 0 HKAARN C[C@@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)C1 ZINC000017245737 560705419 /nfs/dbraw/zinc/70/54/19/560705419.db2.gz JBLGTALPBBUBKR-MRXNPFEDSA-N 0 0 418.932 5.449 50 0 HKAARN C[C@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)C1 ZINC000017245739 132465433 /nfs/dbraw/zinc/46/54/33/132465433.db2.gz JBLGTALPBBUBKR-INIZCTEOSA-N 0 0 418.932 5.449 50 0 HKAARN C[C@@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(Cl)c3)n2)C1 ZINC000017245762 560705452 /nfs/dbraw/zinc/70/54/52/560705452.db2.gz VRSPIZSMWFSHCG-MRXNPFEDSA-N 0 0 418.932 5.449 50 0 HKAARN C[C@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(Cl)c3)n2)C1 ZINC000017245768 560705480 /nfs/dbraw/zinc/70/54/80/560705480.db2.gz VRSPIZSMWFSHCG-INIZCTEOSA-N 0 0 418.932 5.449 50 0 HKAARN CC1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000017246106 132465470 /nfs/dbraw/zinc/46/54/70/132465470.db2.gz AYYDWLRULSQAPG-UHFFFAOYSA-N 0 0 418.932 5.449 50 0 HKAARN Cc1nc2c3ccccc3oc2c(Nc2ccc(-c3nc4ccccc4s3)c(O)c2)n1 ZINC000017246917 560704836 /nfs/dbraw/zinc/70/48/36/560704836.db2.gz FHTGGSJXPWAVTR-UHFFFAOYSA-N 0 0 424.485 6.410 50 0 HKAARN CCC(=O)N1CCCc2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc21 ZINC000017247752 560704815 /nfs/dbraw/zinc/70/48/15/560704815.db2.gz NIJXDAIPWXKBCX-UHFFFAOYSA-N 0 0 423.900 5.245 50 0 HKAARN CCC(=O)N1CCCc2cc(NC(=O)c3c(C)onc3-c3ccccc3Cl)ccc21 ZINC000017248059 560704956 /nfs/dbraw/zinc/70/49/56/560704956.db2.gz NRCQTFASDZLUMY-UHFFFAOYSA-N 0 0 423.900 5.245 50 0 HKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)cc1C ZINC000017248824 569276880 /nfs/dbraw/zinc/27/68/80/569276880.db2.gz LOKDBJOTXKPEJO-UHFFFAOYSA-N 0 0 402.538 5.567 50 0 HKAARN CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 ZINC000017251828 560705102 /nfs/dbraw/zinc/70/51/02/560705102.db2.gz IXDKTDIBSMYIAK-UHFFFAOYSA-N 0 0 402.498 5.200 50 0 HKAARN O=[N+]([O-])C(C(=Nc1ccccc1)Sc1ccccc1)=C(Cl)C(Cl)Cl ZINC000017256961 560706349 /nfs/dbraw/zinc/70/63/49/560706349.db2.gz MCSDFYQDURKRBW-JQIJEIRASA-N 0 0 401.702 6.222 50 0 HKAARN CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000017264961 571314199 /nfs/dbraw/zinc/31/41/99/571314199.db2.gz GMIIZQZGFQLNHP-PGMHBOJBSA-N 0 0 411.457 5.040 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 ZINC000017265220 558826255 /nfs/dbraw/zinc/82/62/55/558826255.db2.gz HQHCOJNMGMIBAG-IRLDBZIGSA-N 0 0 411.343 5.899 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000017265254 558826295 /nfs/dbraw/zinc/82/62/95/558826295.db2.gz MQEQQQJLFSWUCV-GGAORHGYSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000017265258 558826249 /nfs/dbraw/zinc/82/62/49/558826249.db2.gz MQEQQQJLFSWUCV-FYYLOGMGSA-N 0 0 419.322 6.000 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000017265276 558826448 /nfs/dbraw/zinc/82/64/48/558826448.db2.gz MDVGIBAAVGUSMD-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000017265284 558826427 /nfs/dbraw/zinc/82/64/27/558826427.db2.gz MDVGIBAAVGUSMD-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265290 558826384 /nfs/dbraw/zinc/82/63/84/558826384.db2.gz QQBXUXSEJFZPRZ-MJGOQNOKSA-N 0 0 405.723 5.772 50 0 HKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265297 558826434 /nfs/dbraw/zinc/82/64/34/558826434.db2.gz QQBXUXSEJFZPRZ-IEBWSBKVSA-N 0 0 405.723 5.772 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](C1CCCCC1)O2 ZINC000017265345 558826370 /nfs/dbraw/zinc/82/63/70/558826370.db2.gz VPCLSNRAGIGHQA-XLIONFOSSA-N 0 0 417.372 5.961 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265401 558826439 /nfs/dbraw/zinc/82/64/39/558826439.db2.gz KNTQJDOEFMYBNM-MJGOQNOKSA-N 0 0 405.723 5.628 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000017265406 558826466 /nfs/dbraw/zinc/82/64/66/558826466.db2.gz KNTQJDOEFMYBNM-IEBWSBKVSA-N 0 0 405.723 5.628 50 0 HKAARN CC[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cc(OC)ccc1OC ZINC000017268882 560706447 /nfs/dbraw/zinc/70/64/47/560706447.db2.gz KLSOZGLFMRWTBQ-CQSZACIVSA-N 0 0 408.527 5.323 50 0 HKAARN CC[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cc(OC)ccc1OC ZINC000017268887 560706579 /nfs/dbraw/zinc/70/65/79/560706579.db2.gz KLSOZGLFMRWTBQ-AWEZNQCLSA-N 0 0 408.527 5.323 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1)c1ccccc1 ZINC000017269208 560706566 /nfs/dbraw/zinc/70/65/66/560706566.db2.gz WWLXXEGINDFGFB-JOCHJYFZSA-N 0 0 415.541 5.261 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1)c1ccccc1 ZINC000017269213 560706585 /nfs/dbraw/zinc/70/65/85/560706585.db2.gz WWLXXEGINDFGFB-QFIPXVFZSA-N 0 0 415.541 5.261 50 0 HKAARN CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000017270022 560706559 /nfs/dbraw/zinc/70/65/59/560706559.db2.gz SIPXIFXDHNNLFQ-UHFFFAOYSA-N 0 0 416.546 6.785 50 0 HKAARN CCCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000017270040 560706581 /nfs/dbraw/zinc/70/65/81/560706581.db2.gz PTMBKXYQDJGNJA-UHFFFAOYSA-N 0 0 423.506 5.735 50 0 HKAARN CCCCN(C)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017270224 560706564 /nfs/dbraw/zinc/70/65/64/560706564.db2.gz CLAAOJWPWKYUIC-UHFFFAOYSA-N 0 0 406.921 5.449 50 0 HKAARN CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000017270592 569277460 /nfs/dbraw/zinc/27/74/60/569277460.db2.gz KSEBKELQHSMWKJ-UHFFFAOYSA-N 0 0 421.888 5.169 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000017270779 560706556 /nfs/dbraw/zinc/70/65/56/560706556.db2.gz BDLFTYXGFQNRDU-UHFFFAOYSA-N 0 0 419.529 5.026 50 0 HKAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1 ZINC000017271268 560706687 /nfs/dbraw/zinc/70/66/87/560706687.db2.gz GMCSEOVBTYSJAT-UHFFFAOYSA-N 0 0 414.575 5.121 50 0 HKAARN CCCN(CCC)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)c(C)c2)n1 ZINC000017271721 560706783 /nfs/dbraw/zinc/70/67/83/560706783.db2.gz XIDKMXQKYZIEBC-UHFFFAOYSA-N 0 0 414.557 5.802 50 0 HKAARN CCCN(CCC)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000017271725 569277566 /nfs/dbraw/zinc/27/75/66/569277566.db2.gz BXLYFNLKJJVXJL-UHFFFAOYSA-N 0 0 400.530 5.494 50 0 HKAARN CCCN(CCC)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017271730 569277597 /nfs/dbraw/zinc/27/75/97/569277597.db2.gz JSCXLZLZNUPHBP-UHFFFAOYSA-N 0 0 420.948 5.839 50 0 HKAARN CCCN(CCC)c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(OC)c2)n1 ZINC000017271742 560706787 /nfs/dbraw/zinc/70/67/87/560706787.db2.gz IGIDBRBTHGTLGP-UHFFFAOYSA-N 0 0 416.529 5.194 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2ccoc2C)cs1)c1cccc(C(F)(F)F)c1 ZINC000017276733 569277562 /nfs/dbraw/zinc/27/75/62/569277562.db2.gz DBQXISLDWORKLX-UHFFFAOYSA-N 0 0 424.400 5.105 50 0 HKAARN Fc1cc(CSc2nnc(C3CC3)n2C2CC2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000017280340 560706803 /nfs/dbraw/zinc/70/68/03/560706803.db2.gz WRPVPVLKGCWGTB-JOCHJYFZSA-N 0 0 423.513 5.530 50 0 HKAARN Fc1cc(CSc2nnc(C3CC3)n2C2CC2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000017280343 560706800 /nfs/dbraw/zinc/70/68/00/560706800.db2.gz WRPVPVLKGCWGTB-QFIPXVFZSA-N 0 0 423.513 5.530 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000017281922 558826410 /nfs/dbraw/zinc/82/64/10/558826410.db2.gz YMKNMDVKDUAXSZ-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000017281926 558826442 /nfs/dbraw/zinc/82/64/42/558826442.db2.gz YMKNMDVKDUAXSZ-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN CCCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2ccccc2c1=O ZINC000017287334 560705879 /nfs/dbraw/zinc/70/58/79/560705879.db2.gz USJHOBUZHWDIAD-UHFFFAOYSA-N 0 0 405.523 5.371 50 0 HKAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2OC)oc1C ZINC000017287338 569277748 /nfs/dbraw/zinc/27/77/48/569277748.db2.gz QEYFJJVCZTVYDB-UHFFFAOYSA-N 0 0 421.522 5.071 50 0 HKAARN CCN(CC)C(=O)Cn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000017287524 560705890 /nfs/dbraw/zinc/70/58/90/560705890.db2.gz JPNJMZLFCUZQHJ-UHFFFAOYSA-N 0 0 420.500 5.821 50 0 HKAARN CCN(CC)C(=O)Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000017287528 560705894 /nfs/dbraw/zinc/70/58/94/560705894.db2.gz RDTALNCBEBJVKO-UHFFFAOYSA-N 0 0 420.500 5.821 50 0 HKAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccccc1C ZINC000017293357 558826562 /nfs/dbraw/zinc/82/65/62/558826562.db2.gz NXERNUWGRWBFAU-JCMHNJIXSA-N 0 0 412.489 5.260 50 0 HKAARN O=C(NCCc1c[nH]c2ccccc12)c1oc2ccccc2c1COc1ccccc1 ZINC000017295027 560706123 /nfs/dbraw/zinc/70/61/23/560706123.db2.gz LASQRAFCMHYJTG-UHFFFAOYSA-N 0 0 410.473 5.466 50 0 HKAARN Cc1ccc(-c2csc(=S)n2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000017296346 560706134 /nfs/dbraw/zinc/70/61/34/560706134.db2.gz CTSLMZCSCUGWCF-UHFFFAOYSA-N 0 0 407.564 5.095 50 0 HKAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000017297285 560706211 /nfs/dbraw/zinc/70/62/11/560706211.db2.gz SBYAVBPAUNJNEG-UHFFFAOYSA-N 0 0 424.840 5.479 50 0 HKAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000017297287 560706280 /nfs/dbraw/zinc/70/62/80/560706280.db2.gz ZTDNSMWVTJNGQZ-UHFFFAOYSA-N 0 0 401.418 5.654 50 0 HKAARN Cc1ccc(C23C[C@H]4C[C@H](CC(c5csc(NC(=O)C(C)(C)C)n5)(C4)C2)C3)cc1 ZINC000017299488 558826583 /nfs/dbraw/zinc/82/65/83/558826583.db2.gz CBJKCPXFFBIOPS-FLCJAFJVSA-N 0 0 408.611 6.226 50 0 HKAARN CCOCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017306903 560707348 /nfs/dbraw/zinc/70/73/48/560707348.db2.gz VRAGEQRKXPDJGH-UHFFFAOYSA-N 0 0 422.920 5.051 50 0 HKAARN CCOc1ccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000017307394 560707595 /nfs/dbraw/zinc/70/75/95/560707595.db2.gz HXBDPDZEGYFJDC-UHFFFAOYSA-N 0 0 420.456 5.200 50 0 HKAARN CCOc1ccc(N2CCn3c(SCc4ccc(C(F)(F)F)cc4)nnc32)cc1 ZINC000017307782 560707667 /nfs/dbraw/zinc/70/76/67/560707667.db2.gz ZRYYEYAFLRBUOH-UHFFFAOYSA-N 0 0 420.460 5.140 50 0 HKAARN CCOc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1 ZINC000017307790 558826804 /nfs/dbraw/zinc/82/68/04/558826804.db2.gz MFGMJSFXGUTYHT-UHFFFAOYSA-N 0 0 420.460 5.140 50 0 HKAARN O=C(Nc1cccc(CNCc2ccc(Cl)cc2Cl)c1)c1ccccc1Cl ZINC000017310643 560707806 /nfs/dbraw/zinc/70/78/06/560707806.db2.gz JHHOHKORMNEBOT-UHFFFAOYSA-N 0 0 419.739 6.189 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccccc3Br)c2)cc1 ZINC000017312601 560708001 /nfs/dbraw/zinc/70/80/01/560708001.db2.gz ZPYGVOHAGSNBJF-QGZVFWFLSA-N 0 0 423.354 5.861 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3Br)c2)cc1 ZINC000017312603 560708010 /nfs/dbraw/zinc/70/80/10/560708010.db2.gz ZPYGVOHAGSNBJF-KRWDZBQOSA-N 0 0 423.354 5.861 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1ccccc1Br ZINC000017312652 560708125 /nfs/dbraw/zinc/70/81/25/560708125.db2.gz KAORORFFCCHPNJ-MRXNPFEDSA-N 0 0 412.375 5.470 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1ccccc1Br ZINC000017312654 560708175 /nfs/dbraw/zinc/70/81/75/560708175.db2.gz KAORORFFCCHPNJ-INIZCTEOSA-N 0 0 412.375 5.470 50 0 HKAARN COc1ccccc1[C@H](C)[NH2+]Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C ZINC000017314267 569284024 /nfs/dbraw/zinc/28/40/24/569284024.db2.gz UXOQTVJFZFOHQJ-AWEZNQCLSA-N 0 0 418.368 5.714 50 0 HKAARN CCOc1ccc(-n2c(SCCC(C)C)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000017315263 560707606 /nfs/dbraw/zinc/70/76/06/560707606.db2.gz FVQUQQXOWMQEAH-UHFFFAOYSA-N 0 0 406.555 5.953 50 0 HKAARN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F ZINC000017316001 560708346 /nfs/dbraw/zinc/70/83/46/560708346.db2.gz TXHSXAIDGNVTSQ-CQSZACIVSA-N 0 0 400.856 5.721 50 0 HKAARN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F ZINC000017316003 560708326 /nfs/dbraw/zinc/70/83/26/560708326.db2.gz TXHSXAIDGNVTSQ-AWEZNQCLSA-N 0 0 400.856 5.721 50 0 HKAARN CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1 ZINC000017316020 560708376 /nfs/dbraw/zinc/70/83/76/560708376.db2.gz VVBLGVFNBVOJNL-UHFFFAOYSA-N 0 0 421.444 5.021 50 0 HKAARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000017316728 560708547 /nfs/dbraw/zinc/70/85/47/560708547.db2.gz KZCAHYKTVWPTDU-UHFFFAOYSA-N 0 0 422.531 5.009 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017339722 560709492 /nfs/dbraw/zinc/70/94/92/560709492.db2.gz BXWXASGQVJQGKD-UHFFFAOYSA-N 0 0 402.850 5.725 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000017342730 560710727 /nfs/dbraw/zinc/71/07/27/560710727.db2.gz ZPRIFEQYDGWUTD-UHFFFAOYSA-N 0 0 419.503 5.455 50 0 HKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 ZINC000017355298 558827142 /nfs/dbraw/zinc/82/71/42/558827142.db2.gz LCBLMBWJTCEKMF-HSZRJFAPSA-N 0 0 419.550 5.359 50 0 HKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 ZINC000017355300 558827147 /nfs/dbraw/zinc/82/71/47/558827147.db2.gz LCBLMBWJTCEKMF-QHCPKHFHSA-N 0 0 419.550 5.359 50 0 HKAARN Cc1ccc(-c2nc(NC(=O)CSc3cc(C)c4ccccc4n3)ns2)cc1 ZINC000017355362 560709695 /nfs/dbraw/zinc/70/96/95/560709695.db2.gz VBSPQBZIJFOWHE-UHFFFAOYSA-N 0 0 406.536 5.101 50 0 aggregator HKAARN O=C(NCc1cccnc1)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000017355365 560709693 /nfs/dbraw/zinc/70/96/93/560709693.db2.gz GVGAZXZKBRBWLB-UHFFFAOYSA-N 0 0 405.910 5.364 50 0 HKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355826 560709791 /nfs/dbraw/zinc/70/97/91/560709791.db2.gz AQDIYFKCVQCPHN-RNXZQOMOSA-N 0 0 424.614 5.027 50 0 HKAARN Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 ZINC000017359999 558827137 /nfs/dbraw/zinc/82/71/37/558827137.db2.gz ZVEPJOALYHPUHH-UHFFFAOYSA-N 0 0 409.898 5.582 50 0 HKAARN COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCc1c(C)noc1C ZINC000017360847 560711651 /nfs/dbraw/zinc/71/16/51/560711651.db2.gz CUTVVWLJQWYICB-UHFFFAOYSA-N 0 0 424.497 5.134 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000017360917 560711702 /nfs/dbraw/zinc/71/17/02/560711702.db2.gz NXEWKLSRBAXONI-UHFFFAOYSA-N 0 0 408.498 5.055 50 0 HKAARN Cc1sc2ncnc(SCC(=O)Nc3cc(C(C)(C)C)ccc3O)c2c1C ZINC000017360921 560711717 /nfs/dbraw/zinc/71/17/17/560711717.db2.gz TWGLQHOJJRDVBP-UHFFFAOYSA-N 0 0 401.557 5.042 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000017365981 560712853 /nfs/dbraw/zinc/71/28/53/560712853.db2.gz PFVHPZNSIARQNE-UHFFFAOYSA-N 0 0 405.523 5.043 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000017365982 560712841 /nfs/dbraw/zinc/71/28/41/560712841.db2.gz PICOSZKJJFEIAO-UHFFFAOYSA-N 0 0 411.552 5.105 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000017366028 560712869 /nfs/dbraw/zinc/71/28/69/560712869.db2.gz RNGFIJMHYJMEDK-UHFFFAOYSA-N 0 0 411.552 5.058 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)N(Cc1ccco1)Cc1cccs1 ZINC000017366070 560712896 /nfs/dbraw/zinc/71/28/96/560712896.db2.gz DTJGRNJWZDGBCO-UHFFFAOYSA-N 0 0 400.550 5.298 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1cc(F)c(Cl)cc1Cl ZINC000017370645 560711296 /nfs/dbraw/zinc/71/12/96/560711296.db2.gz CSTLYRNZUVWUPF-UHFFFAOYSA-N 0 0 424.259 5.900 50 0 HKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1nc2ccccc2s1 ZINC000017440332 571305710 /nfs/dbraw/zinc/30/57/10/571305710.db2.gz WVHBEUUJHVJCPR-UHFFFAOYSA-N 0 0 408.533 5.469 50 0 HKAARN O=C(NCc1cccnc1)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000017441094 560716523 /nfs/dbraw/zinc/71/65/23/560716523.db2.gz GOYZZBUPIRBKBF-UHFFFAOYSA-N 0 0 405.910 5.364 50 0 HKAARN COc1cc2c(cc1NC(=O)CSc1nc3ccccc3[nH]1)oc1ccccc12 ZINC000017446489 558827467 /nfs/dbraw/zinc/82/74/67/558827467.db2.gz ZWXWCOUXFRMHHR-UHFFFAOYSA-N 0 0 403.463 5.202 50 0 HKAARN CCc1nnc(NC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccccc2)CC3)s1 ZINC000017482634 560717234 /nfs/dbraw/zinc/71/72/34/560717234.db2.gz WCDJHAPGKBKRPJ-JQIJEIRASA-N 0 0 412.518 5.388 50 0 HKAARN COc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc32)c2nccn2C)c1 ZINC000017591157 560720079 /nfs/dbraw/zinc/72/00/79/560720079.db2.gz VEJHQXKFWDIMLH-HSZRJFAPSA-N 0 0 421.504 5.240 50 0 HKAARN COc1cccc([C@H](Nc2nc(-c3ccccc3)nc3ccccc32)c2nccn2C)c1 ZINC000017591158 560720065 /nfs/dbraw/zinc/72/00/65/560720065.db2.gz VEJHQXKFWDIMLH-QHCPKHFHSA-N 0 0 421.504 5.240 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)ccc1OC ZINC000017604947 560721038 /nfs/dbraw/zinc/72/10/38/560721038.db2.gz MOYNGZLINIWCIR-UHFFFAOYSA-N 0 0 407.466 5.030 50 0 HKAARN COc1ccc(-c2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2OC)cc1 ZINC000017605037 560721060 /nfs/dbraw/zinc/72/10/60/560721060.db2.gz NDEZQOZPFRYJBG-UHFFFAOYSA-N 0 0 409.507 5.342 50 0 HKAARN Cc1csc(SCc2ccc(C(=O)N(C)CCOc3ccc(F)cc3)cc2)n1 ZINC000017642957 569317019 /nfs/dbraw/zinc/31/70/19/569317019.db2.gz XGJQUUSVTPUFJD-UHFFFAOYSA-N 0 0 416.543 5.034 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@H](C)c3nnc(-c4cccc(C)c4)o3)s2)c1 ZINC000017662755 560722184 /nfs/dbraw/zinc/72/21/84/560722184.db2.gz YZQPKLBZJSHINC-CQSZACIVSA-N 0 0 409.540 5.802 50 0 HKAARN Cc1cccc(Nc2nnc(S[C@@H](C)c3nnc(-c4cccc(C)c4)o3)s2)c1 ZINC000017662757 560722199 /nfs/dbraw/zinc/72/21/99/560722199.db2.gz YZQPKLBZJSHINC-AWEZNQCLSA-N 0 0 409.540 5.802 50 0 HKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000017724527 558827757 /nfs/dbraw/zinc/82/77/57/558827757.db2.gz CUDMNXSXYJGJGV-GLDPYIMESA-N 0 0 407.510 5.198 50 0 HKAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000017724530 558827773 /nfs/dbraw/zinc/82/77/73/558827773.db2.gz CUDMNXSXYJGJGV-JXQFQVJHSA-N 0 0 407.510 5.198 50 0 HKAARN O=C(NC1CC1)[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000017726809 560724307 /nfs/dbraw/zinc/72/43/07/560724307.db2.gz BTJPCIDYCGJXAG-MRXNPFEDSA-N 0 0 403.322 5.123 50 0 HKAARN O=C(NC1CC1)[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000017726810 560724312 /nfs/dbraw/zinc/72/43/12/560724312.db2.gz BTJPCIDYCGJXAG-INIZCTEOSA-N 0 0 403.322 5.123 50 0 HKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1Cl ZINC000017729761 558827765 /nfs/dbraw/zinc/82/77/65/558827765.db2.gz TYNKXGJPNVIWLT-ATJXCDBQSA-N 0 0 401.318 6.397 50 0 HKAARN COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)C2=CNc1ccc(C)cc1 ZINC000017751692 132465791 /nfs/dbraw/zinc/46/57/91/132465791.db2.gz CWMDBIPTJBCCKD-HMAPJEAMSA-N 0 0 418.880 5.297 50 0 HKAARN COc1ccc(Cn2c3nc[nH]c(=O)c3c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000017781883 558828007 /nfs/dbraw/zinc/82/80/07/558828007.db2.gz OFGFDDGDQCPZQV-UHFFFAOYSA-N 0 0 407.473 5.116 50 0 HKAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccc(C)cc1 ZINC000017782918 132465781 /nfs/dbraw/zinc/46/57/81/132465781.db2.gz ICOLARHHHROGNC-HZHRSRAPSA-N 0 0 412.489 5.260 50 0 HKAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccsc4)cc3)ccc12 ZINC000017805704 560728699 /nfs/dbraw/zinc/72/86/99/560728699.db2.gz QEVWRHOKXZPMFI-UHFFFAOYSA-N 0 0 419.502 5.014 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000017823373 560728891 /nfs/dbraw/zinc/72/88/91/560728891.db2.gz QQXTUGLQDQMZMQ-HSZRJFAPSA-N 0 0 412.533 5.086 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000017823375 560728863 /nfs/dbraw/zinc/72/88/63/560728863.db2.gz QQXTUGLQDQMZMQ-QHCPKHFHSA-N 0 0 412.533 5.086 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000017824808 558828114 /nfs/dbraw/zinc/82/81/14/558828114.db2.gz JTDNFYAOHPSUBJ-ZFFYZDHPSA-N 0 0 411.476 5.064 50 0 HKAARN CC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Br)cc1 ZINC000017825697 560729001 /nfs/dbraw/zinc/72/90/01/560729001.db2.gz ONMJZLWYPGAQKQ-OAHLLOKOSA-N 0 0 416.344 5.157 50 0 HKAARN CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Br)cc1 ZINC000017825699 560728983 /nfs/dbraw/zinc/72/89/83/560728983.db2.gz ONMJZLWYPGAQKQ-HNNXBMFYSA-N 0 0 416.344 5.157 50 0 HKAARN COC(=O)c1c(NC(=S)N2[C@H](C)CCC[C@@H]2C)sc(C)c1-c1ccccc1 ZINC000017857587 560729578 /nfs/dbraw/zinc/72/95/78/560729578.db2.gz LXGSZWUAOGTOOR-OKILXGFUSA-N 0 0 402.585 5.470 50 0 HKAARN Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000017885578 558828426 /nfs/dbraw/zinc/82/84/26/558828426.db2.gz LDWDFXXBUGPHRO-UHFFFAOYSA-N 0 0 404.084 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ZINC000018074392 560774723 /nfs/dbraw/zinc/77/47/23/560774723.db2.gz CTWGDKJYLJUXKI-UHFFFAOYSA-N 0 0 419.319 5.068 50 0 HKAARN COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)c2c[nH]c3ccccc32)cc1 ZINC000018074520 560774731 /nfs/dbraw/zinc/77/47/31/560774731.db2.gz QJWWUYUZXYYMGM-HSZRJFAPSA-N 0 0 423.516 5.149 50 0 HKAARN COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)c2c[nH]c3ccccc32)cc1 ZINC000018074521 560774695 /nfs/dbraw/zinc/77/46/95/560774695.db2.gz QJWWUYUZXYYMGM-QHCPKHFHSA-N 0 0 423.516 5.149 50 0 HKAARN O=C(NCCSCc1ccco1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000018076066 560774778 /nfs/dbraw/zinc/77/47/78/560774778.db2.gz SLROUZHLODMDOA-UHFFFAOYSA-N 0 0 422.428 5.149 50 0 HKAARN Cc1nn2c(nc(C(C)(C)C)cc2N2C[C@H](C)C[C@H](C)C2)c1-c1ccc(Cl)cc1 ZINC000018078062 560774813 /nfs/dbraw/zinc/77/48/13/560774813.db2.gz NBYVIVYEPSMFGB-IYBDPMFKSA-N 0 0 410.993 6.138 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)cc2Br)cs1 ZINC000018079820 560774776 /nfs/dbraw/zinc/77/47/76/560774776.db2.gz KMHHRXHPIWETJJ-UHFFFAOYSA-N 0 0 417.328 5.354 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000018080037 560774751 /nfs/dbraw/zinc/77/47/51/560774751.db2.gz AQHFBZHMEAQKJZ-UHFFFAOYSA-N 0 0 406.869 5.511 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@H](C)C1 ZINC000018081471 560774925 /nfs/dbraw/zinc/77/49/25/560774925.db2.gz KDTDSICIBZPHGZ-GASCZTMLSA-N 0 0 402.585 5.267 50 0 HKAARN O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000018083971 569383425 /nfs/dbraw/zinc/38/34/25/569383425.db2.gz CRLQJTSACHTAGF-PUHABZHSSA-N 0 0 403.525 6.209 50 0 HKAARN CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cccc(Cl)c3)c1-2 ZINC000018084081 560774976 /nfs/dbraw/zinc/77/49/76/560774976.db2.gz IJDXSBQVAJNRBO-QOCHGBHMSA-N 0 0 402.972 6.422 50 0 HKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1OC ZINC000018085619 560774964 /nfs/dbraw/zinc/77/49/64/560774964.db2.gz PCIDUQSBVJULLO-UHFFFAOYSA-N 0 0 402.450 5.046 50 0 HKAARN Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(Cl)c(Cl)c3)c1-2 ZINC000018086335 558830885 /nfs/dbraw/zinc/83/08/85/558830885.db2.gz OTKHZKDJRAUPGB-PYCFMQQDSA-N 0 0 407.391 6.985 50 0 HKAARN COc1ccc(CC/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1OC ZINC000018086807 560775155 /nfs/dbraw/zinc/77/51/55/560775155.db2.gz PJTQTJJCCMETPW-SZXQPVLSSA-N 0 0 419.908 5.914 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1c3ccccc3C2c2ccccc21 ZINC000018087504 558830852 /nfs/dbraw/zinc/83/08/52/558830852.db2.gz ZPBGXHOHNJUREA-JQBYJRRVSA-N 0 0 419.402 5.102 50 0 HKAARN O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1)c1ccco1 ZINC000018093550 560775351 /nfs/dbraw/zinc/77/53/51/560775351.db2.gz DWRRJKUPPXZOHB-UHFFFAOYSA-N 0 0 406.463 5.029 50 0 HKAARN C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000018093730 560775328 /nfs/dbraw/zinc/77/53/28/560775328.db2.gz CRGQFPWXDKUFPX-QGZVFWFLSA-N 0 0 406.457 5.612 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000018097918 558831074 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O=C(c1ccccc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)c1ccccc1 ZINC000018116487 560777206 /nfs/dbraw/zinc/77/72/06/560777206.db2.gz KIWAMHLTZOLRPD-SALAOISXSA-N 0 0 414.504 6.276 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(c2ccccc2)CC1 ZINC000018116527 558831450 /nfs/dbraw/zinc/83/14/50/558831450.db2.gz HNSJLLLHRKMZQR-UHFFFAOYSA-N 0 0 415.924 5.175 50 0 HKAARN COc1ccc(NC(=O)Nc2nnc(CSc3ccc(Cl)cc3)s2)cc1 ZINC000018116968 558831512 /nfs/dbraw/zinc/83/15/12/558831512.db2.gz XQRJDIZAHYXLNK-UHFFFAOYSA-N 0 0 406.920 5.136 50 0 HKAARN O=C(NCC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)cc1Cl ZINC000018117323 558831489 /nfs/dbraw/zinc/83/14/89/558831489.db2.gz ACCJMIHGBBELMP-UPFYTXMWSA-N 0 0 414.376 6.261 50 0 HKAARN Cc1cccc(C)c1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000018119049 560776861 /nfs/dbraw/zinc/77/68/61/560776861.db2.gz BCYKZSDECKCYMS-UHFFFAOYSA-N 0 0 404.311 6.420 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C1c3ccccc3C2c2ccccc21 ZINC000018120083 558831597 /nfs/dbraw/zinc/83/15/97/558831597.db2.gz MYDDZXCNLUMKFM-TXFWVUOCSA-N 0 0 401.465 5.236 50 0 HKAARN CCOC(=O)c1c(NC(=S)N2[C@H](C)CCC[C@@H]2C)sc2c1CCCCCC2 ZINC000018125834 560778726 /nfs/dbraw/zinc/77/87/26/560778726.db2.gz CKYJRVQHEWINEX-GASCZTMLSA-N 0 0 408.633 5.544 50 0 HKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC ZINC000018128615 560779419 /nfs/dbraw/zinc/77/94/19/560779419.db2.gz SSMQZZBSIFHOKN-UHFFFAOYSA-N 0 0 420.440 5.185 50 0 HKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2C[C@H](C)C[C@H](C)C2)c1-c1ccccc1 ZINC000018130149 132465938 /nfs/dbraw/zinc/46/59/38/132465938.db2.gz CHEBYCYMYWTTNK-BGYRXZFFSA-N 0 0 424.592 6.086 50 0 HKAARN CC(C)C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000018131238 560779494 /nfs/dbraw/zinc/77/94/94/560779494.db2.gz YDGHBEFJQZMBST-LJQANCHMSA-N 0 0 404.539 5.063 50 0 HKAARN CC(C)C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000018131239 560779518 /nfs/dbraw/zinc/77/95/18/560779518.db2.gz YDGHBEFJQZMBST-IBGZPJMESA-N 0 0 404.539 5.063 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCCc1nc2ccccc2s1 ZINC000018132372 560779468 /nfs/dbraw/zinc/77/94/68/560779468.db2.gz PYAZCYYLQLECOJ-UHFFFAOYSA-N 0 0 418.566 5.080 50 0 HKAARN CCC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018135397 560779650 /nfs/dbraw/zinc/77/96/50/560779650.db2.gz ZEPBPZHMFHBJSS-RUZDIDTESA-N 0 0 414.549 5.350 50 0 HKAARN CCC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018135399 560779603 /nfs/dbraw/zinc/77/96/03/560779603.db2.gz ZEPBPZHMFHBJSS-VWLOTQADSA-N 0 0 414.549 5.350 50 0 HKAARN CCOc1ccc([C@@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000018136627 560779644 /nfs/dbraw/zinc/77/96/44/560779644.db2.gz UVCVDKPRUSJHPG-OAQYLSRUSA-N 0 0 414.505 5.137 50 0 HKAARN CCOc1ccc([C@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000018136629 560779608 /nfs/dbraw/zinc/77/96/08/560779608.db2.gz UVCVDKPRUSJHPG-NRFANRHFSA-N 0 0 414.505 5.137 50 0 HKAARN O=c1[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2sc3c(c21)CCCC3 ZINC000018137083 560779615 /nfs/dbraw/zinc/77/96/15/560779615.db2.gz DWJQESUXZXBDDR-UHFFFAOYSA-N 0 0 417.317 6.097 50 0 HKAARN CC(=O)c1c(N2CCCCC2)nc2ccc(Br)cc2c1-c1ccccc1 ZINC000018137635 560779631 /nfs/dbraw/zinc/77/96/31/560779631.db2.gz BPHTTWXYNNZMBK-UHFFFAOYSA-N 0 0 409.327 5.857 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000018141770 558832025 /nfs/dbraw/zinc/83/20/25/558832025.db2.gz VBOWMXGXBGCSRK-KDURUIRLSA-N 0 0 420.582 5.124 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018144960 560779826 /nfs/dbraw/zinc/77/98/26/560779826.db2.gz UZEWGRHVXGUQIP-UWXQAFAOSA-N 0 0 413.904 5.583 50 0 HKAARN COC(=O)c1ccc(Cl)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1 ZINC000018145284 558832156 /nfs/dbraw/zinc/83/21/56/558832156.db2.gz VWJPXUHZNKBLOL-PHBHNISSSA-N 0 0 423.940 5.603 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000018145607 558832126 /nfs/dbraw/zinc/83/21/26/558832126.db2.gz AOIWSYFLKMQHLZ-UHFFFAOYSA-N 0 0 420.727 5.157 50 0 HKAARN CCCOc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)cc1 ZINC000018154918 560780166 /nfs/dbraw/zinc/78/01/66/560780166.db2.gz PLJFGSXDTVHLKN-KDURUIRLSA-N 0 0 402.538 5.809 50 0 HKAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4-c4ccccc4)cc3)C(=O)[C@@H]21 ZINC000018155645 558832260 /nfs/dbraw/zinc/83/22/60/558832260.db2.gz KZMHYXGGGZOKJC-DVKBMCPXSA-N 0 0 409.485 5.848 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000018155755 558832432 /nfs/dbraw/zinc/83/24/32/558832432.db2.gz PYAGZUSDCHKRLO-VXKWHMMOSA-N 0 0 417.505 5.049 50 0 HKAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018155758 558832398 /nfs/dbraw/zinc/83/23/98/558832398.db2.gz MLORWQSOIOMVMV-PSWAGMNNSA-N 0 0 423.468 5.028 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000018155761 558832427 /nfs/dbraw/zinc/83/24/27/558832427.db2.gz XDWCGPUWZGYRIC-SZPZYZBQSA-N 0 0 417.505 5.049 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000018155763 558832442 /nfs/dbraw/zinc/83/24/42/558832442.db2.gz UQVFRDYSNFTPFB-CJRSTVEYSA-N 0 0 415.920 5.807 50 0 HKAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018156410 560780273 /nfs/dbraw/zinc/78/02/73/560780273.db2.gz MOHSVONVIGPRDB-UEQSERJNSA-N 0 0 413.904 5.583 50 0 HKAARN COc1cc(OC)cc(C(=O)NCC23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 ZINC000018163201 558832415 /nfs/dbraw/zinc/83/24/15/558832415.db2.gz LWSNIMXJLZJDIY-YDXVBCDDSA-N 0 0 419.565 5.280 50 0 HKAARN Cc1ccc(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 ZINC000018165941 132465953 /nfs/dbraw/zinc/46/59/53/132465953.db2.gz HEDVGGRDHLKOFZ-KGENOOAVSA-N 0 0 422.406 5.654 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000018166249 560780407 /nfs/dbraw/zinc/78/04/07/560780407.db2.gz XZUBCEHHOYJHTQ-TURSSXEVSA-N 0 0 417.571 5.371 50 0 HKAARN COc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000018173564 560781246 /nfs/dbraw/zinc/78/12/46/560781246.db2.gz PYJNMRXQAWACIF-UHFFFAOYSA-N 0 0 409.489 5.058 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000018174500 560781227 /nfs/dbraw/zinc/78/12/27/560781227.db2.gz JRBSPCUAZFNPHV-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000018174501 560781190 /nfs/dbraw/zinc/78/11/90/560781190.db2.gz JRBSPCUAZFNPHV-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000018174502 560781194 /nfs/dbraw/zinc/78/11/94/560781194.db2.gz AQKQBJNMHLYROS-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000018174503 560781369 /nfs/dbraw/zinc/78/13/69/560781369.db2.gz AQKQBJNMHLYROS-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000018174504 560781371 /nfs/dbraw/zinc/78/13/71/560781371.db2.gz QYRBJOZNUWBTFJ-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccc(C)c1)CC2 ZINC000018174505 560781340 /nfs/dbraw/zinc/78/13/40/560781340.db2.gz QYRBJOZNUWBTFJ-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1 ZINC000018180001 558832753 /nfs/dbraw/zinc/83/27/53/558832753.db2.gz WOMJILJLYXUCTA-UHFFFAOYSA-N 0 0 414.983 5.711 50 0 HKAARN Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1 ZINC000018180276 558832786 /nfs/dbraw/zinc/83/27/86/558832786.db2.gz XRIVMMLJUQCRBD-UHFFFAOYSA-N 0 0 413.868 6.005 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000018180603 560781663 /nfs/dbraw/zinc/78/16/63/560781663.db2.gz SNJJAVZKEAHANY-GASCZTMLSA-N 0 0 402.585 5.552 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21 ZINC000018182379 569030655 /nfs/dbraw/zinc/03/06/55/569030655.db2.gz DKJZTZCRPBGKCN-TZRIAGMCSA-N 0 0 402.538 5.549 50 0 HKAARN Cc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C)c1 ZINC000018184867 560781922 /nfs/dbraw/zinc/78/19/22/560781922.db2.gz BGPNGKBXPHFENO-UHFFFAOYSA-N 0 0 400.400 6.070 50 0 HKAARN CCN(CC)c1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC000018184941 569047184 /nfs/dbraw/zinc/04/71/84/569047184.db2.gz HFLGHAMTXUWYAU-UHFFFAOYSA-N 0 0 409.555 5.058 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000018185221 560781946 /nfs/dbraw/zinc/78/19/46/560781946.db2.gz MEFVGPFLHNLZGD-UHFFFAOYSA-N 0 0 402.372 5.544 50 0 HKAARN CC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000018185443 569047174 /nfs/dbraw/zinc/04/71/74/569047174.db2.gz XGXDBYJFOWMIOQ-UHFFFAOYSA-N 0 0 401.340 5.315 50 0 HKAARN O=C(Nc1cccc2cccnc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000018186182 560782028 /nfs/dbraw/zinc/78/20/28/560782028.db2.gz GMGTZIZLZSFOKM-UHFFFAOYSA-N 0 0 409.367 5.693 50 0 HKAARN CCc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000018188652 560781656 /nfs/dbraw/zinc/78/16/56/560781656.db2.gz CJUWHYLMZIBTKA-CALCHBBNSA-N 0 0 420.984 6.544 50 0 HKAARN O=C(C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000018190225 560781660 /nfs/dbraw/zinc/78/16/60/560781660.db2.gz AJNWAXANBBNSKO-HNRBIFIRSA-N 0 0 418.536 7.100 50 0 HKAARN Cn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 ZINC000018190561 560781781 /nfs/dbraw/zinc/78/17/81/560781781.db2.gz YCOKRHIYPQDDJR-NVMNQCDNSA-N 0 0 400.862 5.207 50 0 HKAARN Clc1ccccc1-c1nc(Nc2ccccc2)nc2ccc(Br)cc21 ZINC000018190703 558832869 /nfs/dbraw/zinc/83/28/69/558832869.db2.gz CXIVEAMKMHIKIL-UHFFFAOYSA-N 0 0 410.702 6.456 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000018191862 558833052 /nfs/dbraw/zinc/83/30/52/558833052.db2.gz DKJZTZCRPBGKCN-KJWXAFIESA-N 0 0 402.538 5.549 50 0 HKAARN CN(C)n1c(-c2ccccc2)c(Oc2ccc(Cl)cc2)s/c1=N\c1ccccc1 ZINC000018192548 560782009 /nfs/dbraw/zinc/78/20/09/560782009.db2.gz JWHWJFXWPVGDFS-BZZOAKBMSA-N 0 0 421.953 6.092 50 0 HKAARN COc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1OC ZINC000018193832 560782220 /nfs/dbraw/zinc/78/22/20/560782220.db2.gz CGPCARHCQTYTCI-UHFFFAOYSA-N 0 0 417.490 5.142 50 0 HKAARN COc1ccc(-c2nnc(NC(=O)c3ccccc3-c3ccccc3)s2)cc1OC ZINC000018193834 560782204 /nfs/dbraw/zinc/78/22/04/560782204.db2.gz ZELOSKKGFYOMSR-UHFFFAOYSA-N 0 0 417.490 5.142 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000018194100 560782213 /nfs/dbraw/zinc/78/22/13/560782213.db2.gz GCVUDOGABPLNSY-UHFFFAOYSA-N 0 0 419.937 5.924 50 0 HKAARN Cc1ccc(C)c(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)c1 ZINC000018194325 560782192 /nfs/dbraw/zinc/78/21/92/560782192.db2.gz PLBXGSZDJDLOSY-UHFFFAOYSA-N 0 0 421.313 6.929 50 0 HKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000018194515 560782207 /nfs/dbraw/zinc/78/22/07/560782207.db2.gz BWRMTZMNENLGBU-SANMLTNESA-N 0 0 423.537 6.390 50 0 HKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000018194517 560782248 /nfs/dbraw/zinc/78/22/48/560782248.db2.gz BWRMTZMNENLGBU-AREMUKBSSA-N 0 0 423.537 6.390 50 0 HKAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000018194712 560782202 /nfs/dbraw/zinc/78/22/02/560782202.db2.gz ZYZXVPFAPXCNSQ-UHFFFAOYSA-N 0 0 413.901 5.582 50 0 HKAARN Cc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n(-c2ccccc2C)n1 ZINC000018194919 560782319 /nfs/dbraw/zinc/78/23/19/560782319.db2.gz WHYMQGAUKKOVNL-DEOSSOPVSA-N 0 0 413.546 5.961 50 0 HKAARN Cc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n(-c2ccccc2C)n1 ZINC000018194921 560782320 /nfs/dbraw/zinc/78/23/20/560782320.db2.gz WHYMQGAUKKOVNL-XMMPIXPASA-N 0 0 413.546 5.961 50 0 HKAARN Cc1cc(NC(=O)c2c(C)onc2-c2ccccc2Cl)n(-c2ccccc2C)n1 ZINC000018194996 560782323 /nfs/dbraw/zinc/78/23/23/560782323.db2.gz UWDSNLBKXRHMNT-UHFFFAOYSA-N 0 0 406.873 5.358 50 0 HKAARN COc1ccccc1/C=C/c1cc(-c2ccccc2OC)nc2cc3c(cc12)OCO3 ZINC000018197262 560782755 /nfs/dbraw/zinc/78/27/55/560782755.db2.gz PLMSPPDGHUARLW-VAWYXSNFSA-N 0 0 411.457 5.818 50 0 HKAARN Clc1ccccc1/C=C/c1cc(-c2ccccc2Cl)nc2cc3c(cc12)OCO3 ZINC000018197268 560782824 /nfs/dbraw/zinc/78/28/24/560782824.db2.gz SAGSTNZXNJTWKR-MDZDMXLPSA-N 0 0 420.295 7.108 50 0 HKAARN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cccc(Cl)c2)c1Cl ZINC000018208910 558833549 /nfs/dbraw/zinc/83/35/49/558833549.db2.gz LBYKEENLDDNILF-UHFFFAOYSA-N 0 0 421.349 5.989 50 0 HKAARN Brc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000018208958 560784391 /nfs/dbraw/zinc/78/43/91/560784391.db2.gz LZAFNSUJEVXXHK-LNVKXUELSA-N 0 0 407.336 6.201 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000018209914 558833558 /nfs/dbraw/zinc/83/35/58/558833558.db2.gz BSTAFHLHVCQSSP-TXEJJXNPSA-N 0 0 424.904 5.149 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000018210284 558833705 /nfs/dbraw/zinc/83/37/05/558833705.db2.gz MVUUOFFQPAWTMQ-GOEBONIOSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000018210287 558833701 /nfs/dbraw/zinc/83/37/01/558833701.db2.gz MVUUOFFQPAWTMQ-HOCLYGCPSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000018210290 558833659 /nfs/dbraw/zinc/83/36/59/558833659.db2.gz MVUUOFFQPAWTMQ-GDBMZVCRSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000018210293 558833684 /nfs/dbraw/zinc/83/36/84/558833684.db2.gz MVUUOFFQPAWTMQ-ZBFHGGJFSA-N 0 0 424.810 5.351 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000018212259 560784663 /nfs/dbraw/zinc/78/46/63/560784663.db2.gz RZFDOXCENIVAOR-LJQANCHMSA-N 0 0 405.548 5.403 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000018212260 560784678 /nfs/dbraw/zinc/78/46/78/560784678.db2.gz RZFDOXCENIVAOR-IBGZPJMESA-N 0 0 405.548 5.403 50 0 HKAARN CSC1=N[C@H](c2ccc(Cl)cc2)C2=C(N1)C(=Cc1ccc(Cl)cc1)CCC2 ZINC000018212412 560784661 /nfs/dbraw/zinc/78/46/61/560784661.db2.gz KLHZPIQXLHOTBC-MQMQVCBVSA-N 0 0 415.389 6.878 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1 ZINC000018217609 132466073 /nfs/dbraw/zinc/46/60/73/132466073.db2.gz FZLCRMLELRZPGP-UHFFFAOYSA-N 0 0 423.516 5.299 50 0 HKAARN CCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc32)cc1 ZINC000018218077 558833824 /nfs/dbraw/zinc/83/38/24/558833824.db2.gz LNFOEYNVIQFIHP-UHFFFAOYSA-N 0 0 412.493 5.228 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nc2ccccc2s1 ZINC000018222874 558834111 /nfs/dbraw/zinc/83/41/11/558834111.db2.gz JTTOGEWDANYMGW-UHFFFAOYSA-N 0 0 420.946 6.609 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(N4CCCCC4)cc3)cs2)cc1 ZINC000018229653 560785155 /nfs/dbraw/zinc/78/51/55/560785155.db2.gz DLOXYOSOGZMDPO-UHFFFAOYSA-N 0 0 421.566 5.202 50 0 HKAARN COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(OC)c1 ZINC000018239032 560785304 /nfs/dbraw/zinc/78/53/04/560785304.db2.gz NPMRJTQRCKYHLZ-UHFFFAOYSA-N 0 0 407.466 5.076 50 0 HKAARN S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000018244403 558834445 /nfs/dbraw/zinc/83/44/45/558834445.db2.gz ZRPJIHBJJOQXBX-UHFFFAOYSA-N 0 0 424.957 5.046 50 0 HKAARN CCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000018244979 558834384 /nfs/dbraw/zinc/83/43/84/558834384.db2.gz FMWOIJKYVCOUMP-PTUXOGIPSA-N 0 0 419.521 5.107 50 0 HKAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018247239 558834515 /nfs/dbraw/zinc/83/45/15/558834515.db2.gz GHQBARKLLMRQPO-FASAQXTFSA-N 0 0 414.299 5.167 50 0 HKAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]21 ZINC000018247323 558834525 /nfs/dbraw/zinc/83/45/25/558834525.db2.gz YKTVDFRFGDGFHY-SMNXXWJPSA-N 0 0 402.277 5.487 50 0 HKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018247610 558834542 /nfs/dbraw/zinc/83/45/42/558834542.db2.gz BYHYUGXAKARZAV-URZJWIJPSA-N 0 0 419.521 5.129 50 0 HKAARN CCN(CC)C(=S)Sc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018249435 558834538 /nfs/dbraw/zinc/83/45/38/558834538.db2.gz JATKKVINBHBUSH-UHFFFAOYSA-N 0 0 402.972 5.567 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nc2ccccc2[nH]1 ZINC000018250674 558834892 /nfs/dbraw/zinc/83/48/92/558834892.db2.gz PQAUGJLQCACEJE-UHFFFAOYSA-N 0 0 403.894 5.876 50 0 biogenic,in-vitro HKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC ZINC000018251473 560785514 /nfs/dbraw/zinc/78/55/14/560785514.db2.gz XOHAQDFCNKFVHL-UHFFFAOYSA-N 0 0 420.440 5.185 50 0 HKAARN CC(C)C(=O)OCCSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018254368 558834867 /nfs/dbraw/zinc/83/48/67/558834867.db2.gz PPXXIGGPNCQEPR-UHFFFAOYSA-N 0 0 401.915 5.140 50 0 HKAARN CC(C)CCNC(=O)CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018254477 558834906 /nfs/dbraw/zinc/83/49/06/558834906.db2.gz HSCUZGAYGROTKU-UHFFFAOYSA-N 0 0 414.958 5.103 50 0 HKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1C)C(C)(C)N2 ZINC000018256267 560785616 /nfs/dbraw/zinc/78/56/16/560785616.db2.gz RATTXZNLEGBPEE-QOCHGBHMSA-N 0 0 402.972 6.340 50 0 HKAARN Cc1cccc2c(C)nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[nH]3)nc12 ZINC000018266480 558835079 /nfs/dbraw/zinc/83/50/79/558835079.db2.gz PJUVXIYUNQSANS-UHFFFAOYSA-N 0 0 423.929 5.019 50 0 HKAARN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc(Cl)cc5Cl)(C4)C2)C3)cc1 ZINC000018268178 558835149 /nfs/dbraw/zinc/83/51/49/558835149.db2.gz UVWGGUYQKIDKMD-UPFYTXMWSA-N 0 0 414.376 6.779 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21 ZINC000018270432 558835244 /nfs/dbraw/zinc/83/52/44/558835244.db2.gz DKJZTZCRPBGKCN-HNJRGHQBSA-N 0 0 402.538 5.549 50 0 HKAARN Cc1ccc2nc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)sc2c1 ZINC000018280058 558835397 /nfs/dbraw/zinc/83/53/97/558835397.db2.gz HOSQKJAKTRWDAR-MYNGYRLFSA-N 0 0 422.509 5.001 50 0 HKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc[nH]n1 ZINC000018283779 558835303 /nfs/dbraw/zinc/83/53/03/558835303.db2.gz UDTXDTFKGXSVMM-UHFFFAOYSA-N 0 0 420.610 5.007 50 0 HKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000018284295 558835473 /nfs/dbraw/zinc/83/54/73/558835473.db2.gz KZYINWNZZFQRNT-UHFFFAOYSA-N 0 0 404.539 5.101 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1CC13CC4CC(CC(C4)C1)C3)C1c3ccccc3C2c2ccccc21 ZINC000018322731 558835471 /nfs/dbraw/zinc/83/54/71/558835471.db2.gz LMUGMGXUCDYYGJ-YEHPOXMJSA-N 0 0 423.556 5.095 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nc2ccccc2o1 ZINC000018323532 558835679 /nfs/dbraw/zinc/83/56/79/558835679.db2.gz FYZKOFQLZWDADE-UHFFFAOYSA-N 0 0 404.878 6.141 50 0 HKAARN CCCc1cc(=O)[nH]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000018324728 558835680 /nfs/dbraw/zinc/83/56/80/558835680.db2.gz PKQLBUZGKUZXHL-UHFFFAOYSA-N 0 0 423.925 5.448 50 0 HKAARN O=c1[nH]c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000018325284 558835612 /nfs/dbraw/zinc/83/56/12/558835612.db2.gz BBDXVVJZXCBUFE-UHFFFAOYSA-N 0 0 402.563 5.530 50 0 biogenic HKAARN c1coc(-c2cc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)no2)c1 ZINC000018352711 560871781 /nfs/dbraw/zinc/87/17/81/560871781.db2.gz DBPUBSPBMYYFQT-UHFFFAOYSA-N 0 0 420.519 5.595 50 0 HKAARN O=c1cc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)nc2ccccn12 ZINC000018360186 560871806 /nfs/dbraw/zinc/87/18/06/560871806.db2.gz FLIHWNLPOKNTHS-UHFFFAOYSA-N 0 0 422.560 5.167 50 0 HKAARN CC(C)c1ccccc1-n1ccnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000018437404 568454304 /nfs/dbraw/zinc/45/43/04/568454304.db2.gz CKRDRDSEJVGUST-UHFFFAOYSA-N 0 0 410.930 5.178 50 0 HKAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000018516387 568697600 /nfs/dbraw/zinc/69/76/00/568697600.db2.gz JTTQALHHWVTGFQ-ZDUSSCGKSA-N 0 0 421.444 5.019 50 0 HKAARN COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000018516388 568697382 /nfs/dbraw/zinc/69/73/82/568697382.db2.gz JTTQALHHWVTGFQ-CYBMUJFWSA-N 0 0 421.444 5.019 50 0 HKAARN C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1c(F)cccc1F ZINC000018656129 568737836 /nfs/dbraw/zinc/73/78/36/568737836.db2.gz DYXBPSSOCSWKDR-SNVBAGLBSA-N 0 0 417.458 5.578 50 0 HKAARN C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1c(F)cccc1F ZINC000018656133 568737884 /nfs/dbraw/zinc/73/78/84/568737884.db2.gz DYXBPSSOCSWKDR-JTQLQIEISA-N 0 0 417.458 5.578 50 0 HKAARN CCNc1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000018662903 568738365 /nfs/dbraw/zinc/73/83/65/568738365.db2.gz PTNTUENKUDKWGK-LURJTMIESA-N 0 0 411.767 5.049 50 0 HKAARN CCNc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000018662904 568738376 /nfs/dbraw/zinc/73/83/76/568738376.db2.gz PTNTUENKUDKWGK-ZCFIWIBFSA-N 0 0 411.767 5.049 50 0 HKAARN COc1cc(C2SCCS2)ccc1OC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000018698974 568738362 /nfs/dbraw/zinc/73/83/62/568738362.db2.gz ODKHOLSRYZMYFV-UHFFFAOYSA-N 0 0 424.971 5.590 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1nc(Cl)ccc1Cl ZINC000018705807 568738649 /nfs/dbraw/zinc/73/86/49/568738649.db2.gz IYSGYBKIYWIBEZ-UHFFFAOYSA-N 0 0 407.257 5.156 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1cc(Cl)sc1Cl ZINC000018706183 568738659 /nfs/dbraw/zinc/73/86/59/568738659.db2.gz ZBUXZAJXYJGWIN-UHFFFAOYSA-N 0 0 412.298 5.823 50 0 HKAARN O=C(CCc1cccs1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000018824050 568741514 /nfs/dbraw/zinc/74/15/14/568741514.db2.gz QISVYEZVCPUSSU-LJQANCHMSA-N 0 0 408.954 5.764 50 0 HKAARN O=C(CCc1cccs1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000018824052 568741487 /nfs/dbraw/zinc/74/14/87/568741487.db2.gz QISVYEZVCPUSSU-IBGZPJMESA-N 0 0 408.954 5.764 50 0 HKAARN COCCc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000018830295 568741562 /nfs/dbraw/zinc/74/15/62/568741562.db2.gz XSZLFHGZRHAENR-UHFFFAOYSA-N 0 0 420.456 5.199 50 0 HKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000018832830 568742202 /nfs/dbraw/zinc/74/22/02/568742202.db2.gz HMTNZRYYTSYYJH-UHFFFAOYSA-N 0 0 424.715 5.749 50 0 HKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc2ccccc2c1 ZINC000018832840 568742159 /nfs/dbraw/zinc/74/21/59/568742159.db2.gz BHBHYCAOHRSTPD-UHFFFAOYSA-N 0 0 405.885 5.596 50 0 HKAARN COc1ccc(-c2nc(C(=O)Oc3ccc(Cl)cc3Cl)cs2)cc1OC ZINC000018943825 568743781 /nfs/dbraw/zinc/74/37/81/568743781.db2.gz KWABNGRGAGWORA-UHFFFAOYSA-N 0 0 410.278 5.353 50 0 HKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000018949768 568743993 /nfs/dbraw/zinc/74/39/93/568743993.db2.gz AUHMOGDAJDUKBT-UHFFFAOYSA-N 0 0 414.943 5.331 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1C ZINC000018961264 568744149 /nfs/dbraw/zinc/74/41/49/568744149.db2.gz NVMOTMNJGANIOK-GFCCVEGCSA-N 0 0 421.444 5.160 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1C ZINC000018961266 568744170 /nfs/dbraw/zinc/74/41/70/568744170.db2.gz NVMOTMNJGANIOK-LBPRGKRZSA-N 0 0 421.444 5.160 50 0 HKAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019074872 568749922 /nfs/dbraw/zinc/74/99/22/568749922.db2.gz AYLRLKIFOPRRBJ-UHFFFAOYSA-N 0 0 414.486 5.043 50 0 HKAARN Nc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000019074880 568749906 /nfs/dbraw/zinc/74/99/06/568749906.db2.gz RENULANNZNTCBN-UHFFFAOYSA-N 0 0 407.498 5.839 50 0 HKAARN O=C(CSc1cc(-c2cccs2)c2c(n1)CCCC2)N1CCCc2ccccc21 ZINC000019074886 568749970 /nfs/dbraw/zinc/74/99/70/568749970.db2.gz BWWNKJNZCREQQV-UHFFFAOYSA-N 0 0 420.603 5.760 50 0 HKAARN Cc1nn(C)cc1CN(C)Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000019111270 558841781 /nfs/dbraw/zinc/84/17/81/558841781.db2.gz ULZUOLHOUCHPHC-UHFFFAOYSA-N 0 0 402.498 5.116 50 0 HKAARN CSc1ccc(-c2nc(CN3CCC(Oc4cccc(F)c4)CC3)c(C)o2)cc1 ZINC000019145881 558846676 /nfs/dbraw/zinc/84/66/76/558846676.db2.gz FTJLVAWUFLRUOE-UHFFFAOYSA-N 0 0 412.530 5.554 50 0 HKAARN CN(Cc1cc(-c2ccccc2)no1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019146233 558846865 /nfs/dbraw/zinc/84/68/65/558846865.db2.gz QQPZOZJCKVVERR-UHFFFAOYSA-N 0 0 414.387 5.042 50 0 HKAARN CN(Cc1cc2ccccc2s1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019147247 558846883 /nfs/dbraw/zinc/84/68/83/558846883.db2.gz BDRCEXNWLIRKJZ-UHFFFAOYSA-N 0 0 414.433 5.019 50 0 HKAARN O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc2ccccc2s1 ZINC000019198282 568936532 /nfs/dbraw/zinc/93/65/32/568936532.db2.gz BRSQRWNFHFPYCS-UHFFFAOYSA-N 0 0 421.297 5.132 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3sc(-c4ccccn4)nc3C)sc2C)cc1 ZINC000019201081 568937896 /nfs/dbraw/zinc/93/78/96/568937896.db2.gz XAJFQJJALRTNFV-UHFFFAOYSA-N 0 0 422.535 5.206 50 0 HKAARN O=C(Cc1noc2ccccc12)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000019202074 568939390 /nfs/dbraw/zinc/93/93/90/568939390.db2.gz YMPCPUDGBDILEJ-UHFFFAOYSA-N 0 0 423.544 5.923 50 0 HKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)Cc1cc2cc(F)ccc2[nH]1 ZINC000019224879 558852528 /nfs/dbraw/zinc/85/25/28/558852528.db2.gz QPIRNAPIMXAKGA-UHFFFAOYSA-N 0 0 417.406 5.921 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1O ZINC000019228245 558852953 /nfs/dbraw/zinc/85/29/53/558852953.db2.gz GYHIQDAEKWQWJU-VWLOTQADSA-N 0 0 402.469 5.169 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1O ZINC000019228248 558852938 /nfs/dbraw/zinc/85/29/38/558852938.db2.gz GYHIQDAEKWQWJU-RUZDIDTESA-N 0 0 402.469 5.169 50 0 HKAARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl ZINC000019228906 569414518 /nfs/dbraw/zinc/41/45/18/569414518.db2.gz FVRVXUPKTDFHIC-OAHLLOKOSA-N 0 0 422.139 5.052 50 0 HKAARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl ZINC000019228908 569414536 /nfs/dbraw/zinc/41/45/36/569414536.db2.gz FVRVXUPKTDFHIC-HNNXBMFYSA-N 0 0 422.139 5.052 50 0 HKAARN Cc1cc(CN(C)Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)on1 ZINC000019229287 558853341 /nfs/dbraw/zinc/85/33/41/558853341.db2.gz LFRFZRCIBFTEAE-UHFFFAOYSA-N 0 0 410.880 5.260 50 0 HKAARN Brc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 ZINC000019286101 558860192 /nfs/dbraw/zinc/86/01/92/558860192.db2.gz SRJKADRHJLTNOK-UHFFFAOYSA-N 0 0 407.355 5.466 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1-c1ccccc1 ZINC000019295134 558865867 /nfs/dbraw/zinc/86/58/67/558865867.db2.gz OIZWTRXRLWSBAQ-UHFFFAOYSA-N 0 0 404.922 6.312 50 0 HKAARN COc1cccc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2Cl)c1OC(F)F ZINC000019295564 558865796 /nfs/dbraw/zinc/86/57/96/558865796.db2.gz DSYURPSCRPBOTK-MDZDMXLPSA-N 0 0 416.251 5.275 50 0 HKAARN COc1cccc2sc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)nc21 ZINC000019295705 558865770 /nfs/dbraw/zinc/86/57/70/558865770.db2.gz LFCQXUOEOIMTEA-UHFFFAOYSA-N 0 0 415.927 5.263 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3Br)s2)cc1 ZINC000019295844 569414635 /nfs/dbraw/zinc/41/46/35/569414635.db2.gz WKXKKDFKQFVQGF-UHFFFAOYSA-N 0 0 405.292 5.196 50 0 HKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2cncc(Br)c2)s1 ZINC000019296280 558865986 /nfs/dbraw/zinc/86/59/86/558865986.db2.gz QALPEQNVYCILHJ-UHFFFAOYSA-N 0 0 415.356 5.099 50 0 HKAARN O=c1c2ccsc2ncn1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000019296486 558866018 /nfs/dbraw/zinc/86/60/18/558866018.db2.gz ICWKWYJVQCEHAG-UHFFFAOYSA-N 0 0 418.909 5.012 50 0 HKAARN CCSc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000019297541 569414762 /nfs/dbraw/zinc/41/47/62/569414762.db2.gz CTKQIOSTVVGSFZ-UHFFFAOYSA-N 0 0 410.593 5.795 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1O ZINC000019300514 558866449 /nfs/dbraw/zinc/86/64/49/558866449.db2.gz ZNWWGKGAADGEIM-VWLOTQADSA-N 0 0 402.469 5.169 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1O ZINC000019300515 558866590 /nfs/dbraw/zinc/86/65/90/558866590.db2.gz ZNWWGKGAADGEIM-RUZDIDTESA-N 0 0 402.469 5.169 50 0 HKAARN CSc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 ZINC000019309345 569415882 /nfs/dbraw/zinc/41/58/82/569415882.db2.gz PIOJDEJLTZDTAF-UHFFFAOYSA-N 0 0 411.836 5.519 50 0 HKAARN CCCn1c2ccccc2nc1NC(=O)c1ccccc1OCc1csc(C)n1 ZINC000019310022 558866785 /nfs/dbraw/zinc/86/67/85/558866785.db2.gz XVVUYGWNXIXFRG-UHFFFAOYSA-N 0 0 406.511 5.043 50 0 HKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000019314714 558866972 /nfs/dbraw/zinc/86/69/72/558866972.db2.gz JDCKOYCHZZTJJE-GOSISDBHSA-N 0 0 418.331 5.457 50 0 HKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000019314718 558866923 /nfs/dbraw/zinc/86/69/23/558866923.db2.gz JDCKOYCHZZTJJE-SFHVURJKSA-N 0 0 418.331 5.457 50 0 HKAARN CC1CCN([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)CC1 ZINC000019315939 558867090 /nfs/dbraw/zinc/86/70/90/558867090.db2.gz BJLZUAVCKDWWJP-QGZVFWFLSA-N 0 0 405.797 5.142 50 0 HKAARN CC1CCN([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)CC1 ZINC000019315942 558867129 /nfs/dbraw/zinc/86/71/29/558867129.db2.gz BJLZUAVCKDWWJP-KRWDZBQOSA-N 0 0 405.797 5.142 50 0 HKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)N1CCCCCCC1 ZINC000019316221 569416348 /nfs/dbraw/zinc/41/63/48/569416348.db2.gz QJJPYOLAKKWKIN-UHFFFAOYSA-N 0 0 409.530 5.321 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019318768 569417480 /nfs/dbraw/zinc/41/74/80/569417480.db2.gz ATMBWHLNFPSCDV-MHZLTWQESA-N 0 0 418.556 5.940 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019318776 569417550 /nfs/dbraw/zinc/41/75/50/569417550.db2.gz ATMBWHLNFPSCDV-HHHXNRCGSA-N 0 0 418.556 5.940 50 0 HKAARN COc1cccc([C@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)c1 ZINC000019318778 569417471 /nfs/dbraw/zinc/41/74/71/569417471.db2.gz WRJQYQVZTWKBHQ-XMMPIXPASA-N 0 0 410.920 5.504 50 0 HKAARN Cc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019318786 569417450 /nfs/dbraw/zinc/41/74/50/569417450.db2.gz AFTKZTITVJDUNQ-VWLOTQADSA-N 0 0 408.948 6.113 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019318788 569417545 /nfs/dbraw/zinc/41/75/45/569417545.db2.gz XRMSUYUFWCYNIR-SANMLTNESA-N 0 0 422.975 6.367 50 0 HKAARN Brc1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 ZINC000019318863 558867342 /nfs/dbraw/zinc/86/73/42/558867342.db2.gz XUKHRBCWPSRRPU-UHFFFAOYSA-N 0 0 421.382 5.856 50 0 HKAARN COc1ccc([C@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019318978 569417477 /nfs/dbraw/zinc/41/74/77/569417477.db2.gz UPJNJUPMDCNKQD-XMMPIXPASA-N 0 0 410.920 5.504 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019318980 569417548 /nfs/dbraw/zinc/41/75/48/569417548.db2.gz RSYWWMJOCXMIFA-RUZDIDTESA-N 0 0 408.948 6.058 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019318982 569417487 /nfs/dbraw/zinc/41/74/87/569417487.db2.gz ASDFVIDUHCBTAA-MHZLTWQESA-N 0 0 402.557 6.103 50 0 HKAARN COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c2ccccc12 ZINC000019320047 569417443 /nfs/dbraw/zinc/41/74/43/569417443.db2.gz XVDWADVKBHTNGQ-UHFFFAOYSA-N 0 0 408.545 5.865 50 0 HKAARN Cc1ccsc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000019320305 558867355 /nfs/dbraw/zinc/86/73/55/558867355.db2.gz SIANUPFQGIMNLN-UHFFFAOYSA-N 0 0 417.405 6.380 50 0 HKAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2/C=C/c2ccccc2)cc1 ZINC000019320307 558867381 /nfs/dbraw/zinc/86/73/81/558867381.db2.gz FNXGPSIXFKQUCR-XNTDXEJSSA-N 0 0 423.387 6.351 50 0 HKAARN Fc1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019320319 558867284 /nfs/dbraw/zinc/86/72/84/558867284.db2.gz IXYKANAPQYEDDP-UHFFFAOYSA-N 0 0 415.339 6.149 50 0 HKAARN c1ccc(CN(Cc2ccccc2)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000019321072 569417710 /nfs/dbraw/zinc/41/77/10/569417710.db2.gz WVFBFEWKWKPZOV-UHFFFAOYSA-N 0 0 406.573 6.349 50 0 HKAARN Brc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)s1 ZINC000019321144 558867286 /nfs/dbraw/zinc/86/72/86/558867286.db2.gz XGNCXQXCPGDQHY-UHFFFAOYSA-N 0 0 413.384 5.527 50 0 HKAARN COc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019321463 569417818 /nfs/dbraw/zinc/41/78/18/569417818.db2.gz UPJNJUPMDCNKQD-DEOSSOPVSA-N 0 0 410.920 5.504 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019321467 569417843 /nfs/dbraw/zinc/41/78/43/569417843.db2.gz RSYWWMJOCXMIFA-VWLOTQADSA-N 0 0 408.948 6.058 50 0 HKAARN COc1cccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2ccc(Cl)cc2)c1 ZINC000019321472 569417825 /nfs/dbraw/zinc/41/78/25/569417825.db2.gz WRJQYQVZTWKBHQ-DEOSSOPVSA-N 0 0 410.920 5.504 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019321479 569417828 /nfs/dbraw/zinc/41/78/28/569417828.db2.gz ASDFVIDUHCBTAA-HHHXNRCGSA-N 0 0 402.557 6.103 50 0 HKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019321487 569417851 /nfs/dbraw/zinc/41/78/51/569417851.db2.gz NALBXPGOTZIIIQ-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccc(C)cc2)CCCN1Cc1ccc(F)cc1 ZINC000019321490 569417866 /nfs/dbraw/zinc/41/78/66/569417866.db2.gz DDTOVROQNYYCES-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000019321496 569417810 /nfs/dbraw/zinc/41/78/10/569417810.db2.gz PJUYRRHDCMEULF-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN COc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019321519 569417824 /nfs/dbraw/zinc/41/78/24/569417824.db2.gz YPLXELXIPTZFLH-RUZDIDTESA-N 0 0 424.947 5.813 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019321526 569417864 /nfs/dbraw/zinc/41/78/64/569417864.db2.gz XRMSUYUFWCYNIR-AREMUKBSSA-N 0 0 422.975 6.367 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccccc2C)CCN1Cc1c(F)cccc1Cl ZINC000019321537 569417859 /nfs/dbraw/zinc/41/78/59/569417859.db2.gz SDBIAHVKWHZRDY-RUZDIDTESA-N 0 0 424.947 5.813 50 0 HKAARN Cc1cccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)c1 ZINC000019321540 569417873 /nfs/dbraw/zinc/41/78/73/569417873.db2.gz PAKBGTLUFXRCGZ-RUZDIDTESA-N 0 0 408.948 6.113 50 0 HKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000019321542 569417865 /nfs/dbraw/zinc/41/78/65/569417865.db2.gz COZXJYVJNWAUHU-XMMPIXPASA-N 0 0 412.911 5.943 50 0 HKAARN Cc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000019321545 569417839 /nfs/dbraw/zinc/41/78/39/569417839.db2.gz AFTKZTITVJDUNQ-RUZDIDTESA-N 0 0 408.948 6.113 50 0 HKAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2[C@@H]2CC=CCC2)cc1 ZINC000019322478 558867562 /nfs/dbraw/zinc/86/75/62/558867562.db2.gz IWAXPVCBPVNXPQ-HXUWFJFHSA-N 0 0 401.381 5.994 50 0 HKAARN COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019324040 558867639 /nfs/dbraw/zinc/86/76/39/558867639.db2.gz JIFOLPIDEQIYLN-UHFFFAOYSA-N 0 0 408.545 5.865 50 0 HKAARN Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2cccnc2)cc1 ZINC000019324300 558867556 /nfs/dbraw/zinc/86/75/56/558867556.db2.gz VURSMLXLVOPPCM-UHFFFAOYSA-N 0 0 412.364 5.795 50 0 HKAARN Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2ccc3c(c2)CCO3)cc1 ZINC000019324601 558867672 /nfs/dbraw/zinc/86/76/72/558867672.db2.gz VOZXKBZGLLRYKU-UHFFFAOYSA-N 0 0 420.503 5.306 50 0 HKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(F)cc2)cc1 ZINC000019324613 558867729 /nfs/dbraw/zinc/86/77/29/558867729.db2.gz USHWWZPHWCYABD-UHFFFAOYSA-N 0 0 420.528 5.250 50 0 HKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2)cc1 ZINC000019324616 558867721 /nfs/dbraw/zinc/86/77/21/558867721.db2.gz UCRCKXHQNNHFBL-UHFFFAOYSA-N 0 0 402.538 5.111 50 0 HKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccsc2)cc1 ZINC000019324619 558867717 /nfs/dbraw/zinc/86/77/17/558867717.db2.gz MNDBFUQYFZKVEC-UHFFFAOYSA-N 0 0 408.567 5.172 50 0 HKAARN Brc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000019324975 558867705 /nfs/dbraw/zinc/86/77/05/558867705.db2.gz ZTOPKTBUFIIPSN-UHFFFAOYSA-N 0 0 421.382 5.856 50 0 HKAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2[C@H]2CC=CCC2)cc1 ZINC000019325046 558867827 /nfs/dbraw/zinc/86/78/27/558867827.db2.gz IWAXPVCBPVNXPQ-FQEVSTJZSA-N 0 0 401.381 5.994 50 0 HKAARN Cc1cccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)c1 ZINC000019325216 569419579 /nfs/dbraw/zinc/41/95/79/569419579.db2.gz PAKBGTLUFXRCGZ-VWLOTQADSA-N 0 0 408.948 6.113 50 0 HKAARN COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000019325228 558867696 /nfs/dbraw/zinc/86/76/96/558867696.db2.gz LBDXIXIKZSPZMO-UHFFFAOYSA-N 0 0 422.572 6.255 50 0 HKAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccs2)cc1 ZINC000019325842 558867782 /nfs/dbraw/zinc/86/77/82/558867782.db2.gz UKZWDSKBTBYSEI-UHFFFAOYSA-N 0 0 408.567 5.172 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCN2Cc2ccccc2F)cc1 ZINC000019326524 569419618 /nfs/dbraw/zinc/41/96/18/569419618.db2.gz DXSXTDHEDKWHAC-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3ccc(C)cc3)CCN2Cc2ccccc2F)cc1 ZINC000019326527 569419638 /nfs/dbraw/zinc/41/96/38/569419638.db2.gz DXSXTDHEDKWHAC-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CSc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCN2Cc2ccccc2F)cc1 ZINC000019326530 569419625 /nfs/dbraw/zinc/41/96/25/569419625.db2.gz YSSJOWWZNWFADU-RUZDIDTESA-N 0 0 406.570 5.873 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3cccc(C)c3)CCN2Cc2ccccc2F)cc1 ZINC000019326552 569419635 /nfs/dbraw/zinc/41/96/35/569419635.db2.gz YESYGCGHYPJQFH-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3cccc(C)c3)CCN2Cc2ccccc2F)cc1 ZINC000019326555 569419552 /nfs/dbraw/zinc/41/95/52/569419552.db2.gz YESYGCGHYPJQFH-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CSc1ccc([C@@H]2N(Cc3cccc(C)c3)CCN2Cc2ccccc2F)cc1 ZINC000019326558 569419624 /nfs/dbraw/zinc/41/96/24/569419624.db2.gz HGPVTUHZOHPBLX-RUZDIDTESA-N 0 0 406.570 5.873 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000019326568 569419571 /nfs/dbraw/zinc/41/95/71/569419571.db2.gz DCCPLEJPMKHTTA-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326572 569419593 /nfs/dbraw/zinc/41/95/93/569419593.db2.gz CBBBBDUJOXHEOH-HHHXNRCGSA-N 0 0 400.566 5.719 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019326575 569419540 /nfs/dbraw/zinc/41/95/40/569419540.db2.gz LZVTWYGFQNUVCU-AREMUKBSSA-N 0 0 420.984 6.064 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019326579 569419651 /nfs/dbraw/zinc/41/96/51/569419651.db2.gz DGJHJHYCRJZDDD-HHHXNRCGSA-N 0 0 416.565 5.419 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2cccc(OC)c2)cc1 ZINC000019326593 569419554 /nfs/dbraw/zinc/41/95/54/569419554.db2.gz JPCBMVAZAJMQLX-AREMUKBSSA-N 0 0 420.528 5.250 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCN2Cc2cccc(OC)c2)cc1 ZINC000019326596 569419646 /nfs/dbraw/zinc/41/96/46/569419646.db2.gz JPCBMVAZAJMQLX-SANMLTNESA-N 0 0 420.528 5.250 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000019326602 569419636 /nfs/dbraw/zinc/41/96/36/569419636.db2.gz QEKLALWZTAKURG-VWLOTQADSA-N 0 0 408.492 5.380 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 ZINC000019326604 569419519 /nfs/dbraw/zinc/41/95/19/569419519.db2.gz NANBYMCOOZAYPS-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000019326607 569419582 /nfs/dbraw/zinc/41/95/82/569419582.db2.gz BSTMLQINOXQXHS-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019326621 569419633 /nfs/dbraw/zinc/41/96/33/569419633.db2.gz SRFYWLSYDUMRMV-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019326624 569419637 /nfs/dbraw/zinc/41/96/37/569419637.db2.gz FIPLEIJMVJGFNM-SANMLTNESA-N 0 0 420.528 5.250 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000019326627 569419545 /nfs/dbraw/zinc/41/95/45/569419545.db2.gz QJLWZEWWZBVWFP-VWLOTQADSA-N 0 0 408.492 5.380 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1 ZINC000019326651 569419620 /nfs/dbraw/zinc/41/96/20/569419620.db2.gz ABGKDEGOOLHVQP-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1 ZINC000019326654 569419634 /nfs/dbraw/zinc/41/96/34/569419634.db2.gz ABGKDEGOOLHVQP-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CSc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1 ZINC000019326657 569419605 /nfs/dbraw/zinc/41/96/05/569419605.db2.gz RFUKDCMFNIGPKN-RUZDIDTESA-N 0 0 406.570 5.873 50 0 HKAARN COc1ccc(OC)c([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)c1 ZINC000019326666 569419622 /nfs/dbraw/zinc/41/96/22/569419622.db2.gz NMLCULRMBNHAMY-AREMUKBSSA-N 0 0 420.528 5.168 50 0 HKAARN COc1cccc([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)c1 ZINC000019326669 569419596 /nfs/dbraw/zinc/41/95/96/569419596.db2.gz OFDQZSOGACRMNV-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN COc1ccc([C@@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000019326672 569419639 /nfs/dbraw/zinc/41/96/39/569419639.db2.gz OOJULHSWMVLHJM-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN Cc1ccc([C@@H]2N(Cc3cccc(C)c3)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326681 569419573 /nfs/dbraw/zinc/41/95/73/569419573.db2.gz ALGHCPIFLSMJQC-AREMUKBSSA-N 0 0 404.985 6.364 50 0 HKAARN Cc1ccc([C@H]2N(Cc3cccc(C)c3)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326684 569419643 /nfs/dbraw/zinc/41/96/43/569419643.db2.gz ALGHCPIFLSMJQC-SANMLTNESA-N 0 0 404.985 6.364 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2cccc(C)c2)CCCN1Cc1ccccc1Cl ZINC000019326687 569419642 /nfs/dbraw/zinc/41/96/42/569419642.db2.gz OQGPMCMLWJMIJL-AREMUKBSSA-N 0 0 420.984 6.064 50 0 HKAARN Cc1cccc(CN2CCCN(Cc3ccccc3Cl)[C@@H]2c2ccccc2C)c1 ZINC000019326690 569419556 /nfs/dbraw/zinc/41/95/56/569419556.db2.gz QSPNZYFXWMPAMX-AREMUKBSSA-N 0 0 404.985 6.364 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(C)c1 ZINC000019326703 569419526 /nfs/dbraw/zinc/41/95/26/569419526.db2.gz BNDCGQBZNIZQOD-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000019326706 569419606 /nfs/dbraw/zinc/41/96/06/569419606.db2.gz RMDRZXZHFVJHSF-HHHXNRCGSA-N 0 0 418.556 5.940 50 0 HKAARN CCOc1ccc([C@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000019326709 569419588 /nfs/dbraw/zinc/41/95/88/569419588.db2.gz RMDRZXZHFVJHSF-MHZLTWQESA-N 0 0 418.556 5.940 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000019326712 569419647 /nfs/dbraw/zinc/41/96/47/569419647.db2.gz CEOOACRXQAQPLO-HHHXNRCGSA-N 0 0 402.557 6.103 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000019326716 569419612 /nfs/dbraw/zinc/41/96/12/569419612.db2.gz CEOOACRXQAQPLO-MHZLTWQESA-N 0 0 402.557 6.103 50 0 HKAARN CSc1ccc([C@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000019326719 569419609 /nfs/dbraw/zinc/41/96/09/569419609.db2.gz CRDJOUTZLWRMKT-SANMLTNESA-N 0 0 420.597 6.263 50 0 HKAARN Cc1cccc(CN2CCCN(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 ZINC000019326728 569419615 /nfs/dbraw/zinc/41/96/15/569419615.db2.gz MJEMWIXSBBYRPX-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1ccccc1F ZINC000019326731 569419782 /nfs/dbraw/zinc/41/97/82/569419782.db2.gz SSDCAKUVKGVSHH-DEOSSOPVSA-N 0 0 412.911 6.025 50 0 HKAARN Cc1cccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000019326734 569419744 /nfs/dbraw/zinc/41/97/44/569419744.db2.gz VTMJXGMISJFLTQ-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Cc1cccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000019326737 569419677 /nfs/dbraw/zinc/41/96/77/569419677.db2.gz VTMJXGMISJFLTQ-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326740 569419758 /nfs/dbraw/zinc/41/97/58/569419758.db2.gz CHNBWHCWYAZJRV-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326743 569419730 /nfs/dbraw/zinc/41/97/30/569419730.db2.gz CHNBWHCWYAZJRV-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccccc2F)CCCN1Cc1ccccc1Cl ZINC000019326746 569419742 /nfs/dbraw/zinc/41/97/42/569419742.db2.gz ZWGINECUIUUUHC-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccccc2F)CCCN1Cc1ccccc1Cl ZINC000019326749 569419776 /nfs/dbraw/zinc/41/97/76/569419776.db2.gz ZWGINECUIUUUHC-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN COc1cccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000019326752 569419753 /nfs/dbraw/zinc/41/97/53/569419753.db2.gz COWDHCSSSWJYTJ-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN COc1cccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000019326755 569419726 /nfs/dbraw/zinc/41/97/26/569419726.db2.gz COWDHCSSSWJYTJ-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326759 569419783 /nfs/dbraw/zinc/41/97/83/569419783.db2.gz CPNJLHJMKBDCQP-SANMLTNESA-N 0 0 422.975 6.448 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326761 569419722 /nfs/dbraw/zinc/41/97/22/569419722.db2.gz CPNJLHJMKBDCQP-AREMUKBSSA-N 0 0 422.975 6.448 50 0 HKAARN Fc1cccc([C@@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000019326764 569419752 /nfs/dbraw/zinc/41/97/52/569419752.db2.gz WHNYHNKOBWFCDQ-DEOSSOPVSA-N 0 0 412.911 6.025 50 0 HKAARN Cc1ccccc1[C@@H]1N(Cc2ccccc2F)CCCN1Cc1ccccc1Cl ZINC000019326767 569419691 /nfs/dbraw/zinc/41/96/91/569419691.db2.gz PVJFHAIZJFFMSL-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccccc1[C@H]1N(Cc2ccccc2F)CCCN1Cc1ccccc1Cl ZINC000019326769 569419682 /nfs/dbraw/zinc/41/96/82/569419682.db2.gz PVJFHAIZJFFMSL-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl ZINC000019326772 569419784 /nfs/dbraw/zinc/41/97/84/569419784.db2.gz IZPMIOOIYSMCLB-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl ZINC000019326775 569419684 /nfs/dbraw/zinc/41/96/84/569419684.db2.gz IZPMIOOIYSMCLB-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN CCc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326778 569419700 /nfs/dbraw/zinc/41/97/00/569419700.db2.gz CDHLDXRKTPNZOH-AREMUKBSSA-N 0 0 422.975 6.448 50 0 HKAARN CCc1ccc([C@H]2N(Cc3ccc(F)cc3)CCCN2Cc2ccccc2Cl)cc1 ZINC000019326782 569419775 /nfs/dbraw/zinc/41/97/75/569419775.db2.gz CDHLDXRKTPNZOH-SANMLTNESA-N 0 0 422.975 6.448 50 0 HKAARN Cc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl ZINC000019326785 569419754 /nfs/dbraw/zinc/41/97/54/569419754.db2.gz XWXLZCMFKQMZOO-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl ZINC000019326788 569419749 /nfs/dbraw/zinc/41/97/49/569419749.db2.gz XWXLZCMFKQMZOO-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2F)cc1 ZINC000019326791 569419767 /nfs/dbraw/zinc/41/97/67/569419767.db2.gz XGNRRSQRYRQIAY-XMMPIXPASA-N 0 0 412.911 6.025 50 0 HKAARN Fc1ccc(CN2CCCN(Cc3cccc(Cl)c3)[C@H]2c2ccccc2F)cc1 ZINC000019326794 569419757 /nfs/dbraw/zinc/41/97/57/569419757.db2.gz XGNRRSQRYRQIAY-DEOSSOPVSA-N 0 0 412.911 6.025 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(Cl)c1 ZINC000019326797 569419695 /nfs/dbraw/zinc/41/96/95/569419695.db2.gz MSVSZYBICJCZIB-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(Cl)c1 ZINC000019326800 569419748 /nfs/dbraw/zinc/41/97/48/569419748.db2.gz MSVSZYBICJCZIB-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN Cc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(Cl)c1 ZINC000019326803 569419768 /nfs/dbraw/zinc/41/97/68/569419768.db2.gz CHFCKTWXBHPXKG-RUZDIDTESA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccccc1[C@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(Cl)c1 ZINC000019326806 569419771 /nfs/dbraw/zinc/41/97/71/569419771.db2.gz CHFCKTWXBHPXKG-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccccc3F)[C@@H]2c2ccccc2OC)c1 ZINC000019326809 569419679 /nfs/dbraw/zinc/41/96/79/569419679.db2.gz QEADDYNXBFQNNJ-AREMUKBSSA-N 0 0 420.528 5.250 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccccc3F)[C@@H]2c2cccc(OC)c2)c1 ZINC000019326812 569419777 /nfs/dbraw/zinc/41/97/77/569419777.db2.gz ONEPIILSYVGPGA-AREMUKBSSA-N 0 0 420.528 5.250 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccccc3F)[C@@H]2c2ccccc2Cl)c1 ZINC000019326815 569419720 /nfs/dbraw/zinc/41/97/20/569419720.db2.gz OVVBJELCPHKSOM-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN Cc1cccc([C@@H]2N(Cc3ccccc3C)CCCN2Cc2ccc(F)cc2Cl)c1 ZINC000019326818 569419737 /nfs/dbraw/zinc/41/97/37/569419737.db2.gz ANSRBZWYWOOXEN-AREMUKBSSA-N 0 0 422.975 6.503 50 0 HKAARN Cc1cccc([C@H]2N(Cc3ccccc3C)CCCN2Cc2ccc(F)cc2Cl)c1 ZINC000019326820 569419731 /nfs/dbraw/zinc/41/97/31/569419731.db2.gz ANSRBZWYWOOXEN-SANMLTNESA-N 0 0 422.975 6.503 50 0 HKAARN Cc1ccc([C@@H]2N(Cc3ccccc3C)CCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000019326824 569419759 /nfs/dbraw/zinc/41/97/59/569419759.db2.gz NMJGCZDPSPZQEZ-AREMUKBSSA-N 0 0 422.975 6.503 50 0 HKAARN Cc1ccc([C@H]2N(Cc3ccccc3C)CCCN2Cc2ccc(F)cc2Cl)cc1 ZINC000019326827 569419702 /nfs/dbraw/zinc/41/97/02/569419702.db2.gz NMJGCZDPSPZQEZ-SANMLTNESA-N 0 0 422.975 6.503 50 0 HKAARN Cc1ccccc1CN1CCCN(Cc2ccc(F)cc2Cl)[C@@H]1c1ccccc1C ZINC000019326830 569419686 /nfs/dbraw/zinc/41/96/86/569419686.db2.gz XANLHWCQLWGVQV-AREMUKBSSA-N 0 0 422.975 6.503 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 ZINC000019326833 569419766 /nfs/dbraw/zinc/41/97/66/569419766.db2.gz RUHBHZPXJUZOLP-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O ZINC000019329878 569419883 /nfs/dbraw/zinc/41/98/83/569419883.db2.gz JXGBNYRAZRFCJK-UHFFFAOYSA-N 0 0 418.581 5.051 50 0 HKAARN CCOc1cc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)ccc1O ZINC000019331194 571314481 /nfs/dbraw/zinc/31/44/81/571314481.db2.gz MCZSNCVHGUISNJ-UHFFFAOYSA-N 0 0 402.538 5.198 50 0 HKAARN Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334841 558869665 /nfs/dbraw/zinc/86/96/65/558869665.db2.gz JCWRTUNAFXCEGD-QFIPXVFZSA-N 0 0 400.482 5.346 50 0 HKAARN Cc1nonc1[C@H]1CCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019334846 558869617 /nfs/dbraw/zinc/86/96/17/558869617.db2.gz JCWRTUNAFXCEGD-JOCHJYFZSA-N 0 0 400.482 5.346 50 0 HKAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000019358328 569420215 /nfs/dbraw/zinc/42/02/15/569420215.db2.gz LDJIAAJILFLQSR-UHFFFAOYSA-N 0 0 411.474 5.138 50 0 HKAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019360739 558876070 /nfs/dbraw/zinc/87/60/70/558876070.db2.gz SMANXXCATUTDDT-QPJJXVBHSA-N 0 0 404.504 5.385 50 0 world HKAARN CC(C)(C)c1ccc(C(=O)N[C@@H](N2CCCCCC2)C(Cl)(Cl)Cl)cc1 ZINC000019418305 558885327 /nfs/dbraw/zinc/88/53/27/558885327.db2.gz VVCFQNPIHDNFSB-KRWDZBQOSA-N 0 0 405.797 5.286 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N[C@H](N2CCCCCC2)C(Cl)(Cl)Cl)cc1 ZINC000019418307 558885346 /nfs/dbraw/zinc/88/53/46/558885346.db2.gz VVCFQNPIHDNFSB-QGZVFWFLSA-N 0 0 405.797 5.286 50 0 HKAARN Clc1ccc(Oc2cccc(CN3CCN(C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000019536436 558913923 /nfs/dbraw/zinc/91/39/23/558913923.db2.gz NDWYRTLQIKQBFQ-WEVVVXLNSA-N 0 0 418.968 5.963 50 0 HKAARN CC(C)(C)c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019536488 558914048 /nfs/dbraw/zinc/91/40/48/558914048.db2.gz WFTNOTDRSKYSKZ-JLHYYAGUSA-N 0 0 420.641 5.818 50 0 HKAARN O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(NCc1ccccc1)Sc1ccccc1 ZINC000019537042 558914026 /nfs/dbraw/zinc/91/40/26/558914026.db2.gz BJQQXOJVSPZJAD-BMRADRMJSA-N 0 0 415.729 5.900 50 0 HKAARN CC(=O)NCCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000019542550 569422697 /nfs/dbraw/zinc/42/26/97/569422697.db2.gz MGSBBDIKYRJBBX-UHFFFAOYSA-N 0 0 407.564 5.079 50 0 HKAARN Cc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019593428 558944296 /nfs/dbraw/zinc/94/42/96/558944296.db2.gz FLYIHTMXEVVEDD-DEOSSOPVSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019593430 558944608 /nfs/dbraw/zinc/94/46/08/558944608.db2.gz FLYIHTMXEVVEDD-XMMPIXPASA-N 0 0 404.941 5.196 50 0 HKAARN S=c1scc(-c2ccc(Cl)cc2)n1CN1CCC(c2ccccc2)CC1 ZINC000019596654 558946395 /nfs/dbraw/zinc/94/63/95/558946395.db2.gz SCIPLPSOZXYWRD-UHFFFAOYSA-N 0 0 401.000 6.437 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597049 569282972 /nfs/dbraw/zinc/28/29/72/569282972.db2.gz IYKKGYSQUZEAGE-UHFFFAOYSA-N 0 0 405.929 5.279 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597050 558946312 /nfs/dbraw/zinc/94/63/12/558946312.db2.gz MKHONTBBAFZEOY-UHFFFAOYSA-N 0 0 405.929 5.279 50 0 HKAARN O=C(Nc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597053 560869080 /nfs/dbraw/zinc/86/90/80/560869080.db2.gz XKGUYRWNNMXUQO-UHFFFAOYSA-N 0 0 421.544 5.779 50 0 HKAARN COc1ccc(-c2nc(CC(=O)Nc3cccc(-c4csc(C)n4)c3)cs2)cc1 ZINC000019603363 558946361 /nfs/dbraw/zinc/94/63/61/558946361.db2.gz SBKCBEDTSFCAKY-UHFFFAOYSA-N 0 0 421.547 5.432 50 0 HKAARN Cc1nc(C(F)(F)F)nc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)c1C ZINC000019607246 558946600 /nfs/dbraw/zinc/94/66/00/558946600.db2.gz FYRFPKRKKYVZQD-UHFFFAOYSA-N 0 0 409.415 5.086 50 0 HKAARN Cc1noc(C)c1CC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000019622946 558947062 /nfs/dbraw/zinc/94/70/62/558947062.db2.gz GZTHXZFHPWFDBE-UHFFFAOYSA-N 0 0 401.538 5.386 50 0 HKAARN CCCOc1ccc(C(=O)CCNc2ccc3c(c2)COc2ccccc2O3)cc1 ZINC000019626883 558947205 /nfs/dbraw/zinc/94/72/05/558947205.db2.gz NQNCHQYAZSEYMG-UHFFFAOYSA-N 0 0 403.478 5.845 50 0 HKAARN O=C(COc1ccc(F)cc1Cl)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000019627204 569426056 /nfs/dbraw/zinc/42/60/56/569426056.db2.gz MTQLVPORGGAJTB-UHFFFAOYSA-N 0 0 401.850 5.101 50 0 HKAARN CCOc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2cccs2)cc1 ZINC000019629116 558947322 /nfs/dbraw/zinc/94/73/22/558947322.db2.gz FYUMXFPEBVZYBE-UHFFFAOYSA-N 0 0 424.522 5.088 50 0 HKAARN CCOC(=O)c1ccc(Cn2cnc3scc(-c4ccc(C(C)C)cc4)c3c2=O)o1 ZINC000019649907 569427137 /nfs/dbraw/zinc/42/71/37/569427137.db2.gz IZKQFIXURWFOPR-UHFFFAOYSA-N 0 0 422.506 5.066 50 0 HKAARN N=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707753 558969926 /nfs/dbraw/zinc/96/99/26/558969926.db2.gz MBKSTSOMOGRYOR-NRFANRHFSA-N 0 0 412.320 5.011 50 0 HKAARN N=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000019707755 558969892 /nfs/dbraw/zinc/96/98/92/558969892.db2.gz MBKSTSOMOGRYOR-OAQYLSRUSA-N 0 0 412.320 5.011 50 0 HKAARN COc1cc(Br)c(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000019720621 560875715 /nfs/dbraw/zinc/87/57/15/560875715.db2.gz HOHYAJVOTPPCKH-UHFFFAOYSA-N 0 0 419.146 5.105 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019720625 569429049 /nfs/dbraw/zinc/42/90/49/569429049.db2.gz QXYOWGBDYOBWFH-UHFFFAOYSA-N 0 0 412.577 5.532 50 0 HKAARN CCn1c2ccccc2n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N ZINC000019721018 558259269 /nfs/dbraw/zinc/25/92/69/558259269.db2.gz NJPVWDZXOABDQK-UHFFFAOYSA-N 0 0 407.558 5.126 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cn(CC)nc2C)cc1 ZINC000019731851 558259490 /nfs/dbraw/zinc/25/94/90/558259490.db2.gz UYTIAFXIQSTCNY-SANMLTNESA-N 0 0 414.553 5.239 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cn(CC)nc2C)cc1 ZINC000019731853 558259640 /nfs/dbraw/zinc/25/96/40/558259640.db2.gz UYTIAFXIQSTCNY-AREMUKBSSA-N 0 0 414.553 5.239 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccc(C)c1)CC2 ZINC000019732490 558259752 /nfs/dbraw/zinc/25/97/52/558259752.db2.gz JOAKKMXONBWQMG-VWLOTQADSA-N 0 0 407.941 5.813 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccc(C)c1)CC2 ZINC000019732492 558259769 /nfs/dbraw/zinc/25/97/69/558259769.db2.gz JOAKKMXONBWQMG-RUZDIDTESA-N 0 0 407.941 5.813 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccc(F)c1)CC2 ZINC000019732620 558259821 /nfs/dbraw/zinc/25/98/21/558259821.db2.gz XIVNMGKXOYGONW-DEOSSOPVSA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccc(F)c1)CC2 ZINC000019732622 558259925 /nfs/dbraw/zinc/25/99/25/558259925.db2.gz XIVNMGKXOYGONW-XMMPIXPASA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccccc1C)CC2 ZINC000019732624 558259909 /nfs/dbraw/zinc/25/99/09/558259909.db2.gz RZKZAQFHMZHYEC-VWLOTQADSA-N 0 0 407.941 5.813 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccccc1C)CC2 ZINC000019732626 558259850 /nfs/dbraw/zinc/25/98/50/558259850.db2.gz RZKZAQFHMZHYEC-RUZDIDTESA-N 0 0 407.941 5.813 50 0 HKAARN CCc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019732628 558259781 /nfs/dbraw/zinc/25/97/81/558259781.db2.gz VLKVACODVUQBHI-SANMLTNESA-N 0 0 421.968 6.067 50 0 HKAARN CCc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000019732630 558259774 /nfs/dbraw/zinc/25/97/74/558259774.db2.gz VLKVACODVUQBHI-AREMUKBSSA-N 0 0 421.968 6.067 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C/C=C/c1ccccc1)CC2 ZINC000019732682 558259900 /nfs/dbraw/zinc/25/99/00/558259900.db2.gz ADXAZGRZMQUCNW-ZRFNAWPJSA-N 0 0 419.952 6.018 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C/C=C/c1ccccc1)CC2 ZINC000019732684 558259761 /nfs/dbraw/zinc/25/97/61/558259761.db2.gz ADXAZGRZMQUCNW-GYAHLDOBSA-N 0 0 419.952 6.018 50 0 HKAARN c1ccc(CCOc2ccc(CNc3cccc(OCCc4ccccc4)c3)cc2)cc1 ZINC000019737468 558260092 /nfs/dbraw/zinc/26/00/92/558260092.db2.gz JAPUURASTNQQPE-UHFFFAOYSA-N 0 0 423.556 6.542 50 0 HKAARN c1ccc(CCOc2cccc(NCc3ccccc3OCCc3ccccc3)c2)cc1 ZINC000019737471 558260138 /nfs/dbraw/zinc/26/01/38/558260138.db2.gz ZPERCMBVKUXNGI-UHFFFAOYSA-N 0 0 423.556 6.542 50 0 HKAARN c1ccc(OCCOc2cccc(CNc3ccccc3OC[C@H]3CCCO3)c2)cc1 ZINC000019737595 558260145 /nfs/dbraw/zinc/26/01/45/558260145.db2.gz JHPSZLKUCNNAPH-XMMPIXPASA-N 0 0 419.521 5.314 50 0 HKAARN c1ccc(OCCOc2cccc(CNc3ccccc3OC[C@@H]3CCCO3)c2)cc1 ZINC000019737596 558260150 /nfs/dbraw/zinc/26/01/50/558260150.db2.gz JHPSZLKUCNNAPH-DEOSSOPVSA-N 0 0 419.521 5.314 50 0 HKAARN c1ccc(OCCOc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000019737698 558260046 /nfs/dbraw/zinc/26/00/46/558260046.db2.gz LGRXZEMKFQFPGC-UHFFFAOYSA-N 0 0 411.501 6.549 50 0 HKAARN CCCCCCOc1ccc(NCc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738140 558260153 /nfs/dbraw/zinc/26/01/53/558260153.db2.gz OQTTZHYSQTWQQB-UHFFFAOYSA-N 0 0 419.565 6.716 50 0 HKAARN CCCCCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738246 558260043 /nfs/dbraw/zinc/26/00/43/558260043.db2.gz SLWUOIVBIXTFHY-UHFFFAOYSA-N 0 0 419.565 6.716 50 0 HKAARN CCCCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738247 558260101 /nfs/dbraw/zinc/26/01/01/558260101.db2.gz LXFBCIQDVXOYRE-UHFFFAOYSA-N 0 0 405.538 6.326 50 0 HKAARN CCOCCOc1cccc(CNc2ccc(OCCOc3ccccc3)cc2)c1 ZINC000019738254 558260132 /nfs/dbraw/zinc/26/01/32/558260132.db2.gz BXXROSALZZXUCW-UHFFFAOYSA-N 0 0 407.510 5.172 50 0 HKAARN Cc1cc(OCCNc2cccc(OCCOc3ccccc3)c2)cc(C)c1Cl ZINC000019738398 558260059 /nfs/dbraw/zinc/26/00/59/558260059.db2.gz BNJLDFATUWUEMA-UHFFFAOYSA-N 0 0 411.929 5.906 50 0 HKAARN CC[C@@H](C)c1ccccc1OCCNc1cccc(OCCOc2ccccc2)c1 ZINC000019738399 558260067 /nfs/dbraw/zinc/26/00/67/558260067.db2.gz XDQPQVWIHPSWDF-OAQYLSRUSA-N 0 0 405.538 6.149 50 0 HKAARN CC[C@H](C)c1ccccc1OCCNc1cccc(OCCOc2ccccc2)c1 ZINC000019738400 558260089 /nfs/dbraw/zinc/26/00/89/558260089.db2.gz XDQPQVWIHPSWDF-NRFANRHFSA-N 0 0 405.538 6.149 50 0 HKAARN CCOCCOc1ccc(CNc2cccc(OCCOc3ccccc3)c2)cc1 ZINC000019738413 558260129 /nfs/dbraw/zinc/26/01/29/558260129.db2.gz KCGDEEKZYZATDE-UHFFFAOYSA-N 0 0 407.510 5.172 50 0 HKAARN CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1cccc(OCCOc2ccccc2)c1 ZINC000019738414 558260141 /nfs/dbraw/zinc/26/01/41/558260141.db2.gz MYZVDWBHRSEPHR-YADHBBJMSA-N 0 0 419.565 6.537 50 0 HKAARN CC[C@H](C)c1ccccc1O[C@@H](C)CNc1cccc(OCCOc2ccccc2)c1 ZINC000019738415 558260113 /nfs/dbraw/zinc/26/01/13/558260113.db2.gz MYZVDWBHRSEPHR-VXKWHMMOSA-N 0 0 419.565 6.537 50 0 HKAARN CC[C@@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCCOc2ccccc2)c1 ZINC000019738416 558260136 /nfs/dbraw/zinc/26/01/36/558260136.db2.gz MYZVDWBHRSEPHR-FGZHOGPDSA-N 0 0 419.565 6.537 50 0 HKAARN CC[C@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCCOc2ccccc2)c1 ZINC000019738417 558260310 /nfs/dbraw/zinc/26/03/10/558260310.db2.gz MYZVDWBHRSEPHR-FCHUYYIVSA-N 0 0 419.565 6.537 50 0 HKAARN CCCCCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 ZINC000019738444 558260314 /nfs/dbraw/zinc/26/03/14/558260314.db2.gz AZBBRLMOHQOOHT-UHFFFAOYSA-N 0 0 419.565 6.716 50 0 HKAARN CCCCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 ZINC000019738445 558260344 /nfs/dbraw/zinc/26/03/44/558260344.db2.gz OSJBALRKSASOPX-UHFFFAOYSA-N 0 0 405.538 6.326 50 0 HKAARN CCCCCCOc1ccccc1CNc1ccccc1OCCOc1ccccc1 ZINC000019738447 558260278 /nfs/dbraw/zinc/26/02/78/558260278.db2.gz SJVTVQMLTZSESS-UHFFFAOYSA-N 0 0 419.565 6.716 50 0 HKAARN Cc1ccc(C(C)C)c(OCCNc2ccccc2OCCCc2ccccc2)c1 ZINC000019738455 558260346 /nfs/dbraw/zinc/26/03/46/558260346.db2.gz KLTAHZCMCOMQDX-UHFFFAOYSA-N 0 0 403.566 6.621 50 0 HKAARN CCCCCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1 ZINC000019738458 558260262 /nfs/dbraw/zinc/26/02/62/558260262.db2.gz RJLMLIKHWQQOLG-UHFFFAOYSA-N 0 0 417.593 7.269 50 0 HKAARN CCOCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1 ZINC000019738461 558260304 /nfs/dbraw/zinc/26/03/04/558260304.db2.gz AYXWRIAAMWXWMY-UHFFFAOYSA-N 0 0 405.538 5.726 50 0 HKAARN CC(C)CCOc1cccc(CNc2cccc(OCCCc3ccccc3)c2)c1 ZINC000019738512 558260282 /nfs/dbraw/zinc/26/02/82/558260282.db2.gz ZHVFTEVXDQPUKH-UHFFFAOYSA-N 0 0 403.566 6.735 50 0 HKAARN CCOCCOc1ccccc1NCCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000019738517 558260319 /nfs/dbraw/zinc/26/03/19/558260319.db2.gz LKEFZVQQSSTHLY-UHFFFAOYSA-N 0 0 413.602 6.188 50 0 HKAARN CCC(C)(C)c1ccc(OCCNc2ccc(OCCC3CCCCC3)cc2)cc1 ZINC000019738570 558260354 /nfs/dbraw/zinc/26/03/54/558260354.db2.gz HBBOLMGENLEDON-UHFFFAOYSA-N 0 0 409.614 7.214 50 0 HKAARN c1ccc(OCCOc2ccc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2)cc1 ZINC000019738597 558260286 /nfs/dbraw/zinc/26/02/86/558260286.db2.gz NOWTVELISJYVQM-AREMUKBSSA-N 0 0 419.521 5.314 50 0 HKAARN c1ccc(OCCOc2ccc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1 ZINC000019738598 558260365 /nfs/dbraw/zinc/26/03/65/558260365.db2.gz NOWTVELISJYVQM-SANMLTNESA-N 0 0 419.521 5.314 50 0 HKAARN c1ccc(CCOc2ccc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2)cc1 ZINC000019738603 558260245 /nfs/dbraw/zinc/26/02/45/558260245.db2.gz QUMOSOUDENQHLL-AREMUKBSSA-N 0 0 403.522 5.478 50 0 HKAARN c1ccc(CCOc2ccc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1 ZINC000019738604 558260340 /nfs/dbraw/zinc/26/03/40/558260340.db2.gz QUMOSOUDENQHLL-SANMLTNESA-N 0 0 403.522 5.478 50 0 HKAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccccc3)c2)c1 ZINC000019739710 558260720 /nfs/dbraw/zinc/26/07/20/558260720.db2.gz PFRHQIJQRWFVDO-MHZLTWQESA-N 0 0 420.516 5.207 50 0 HKAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccccc3)c2)c1 ZINC000019739712 558260669 /nfs/dbraw/zinc/26/06/69/558260669.db2.gz PFRHQIJQRWFVDO-HHHXNRCGSA-N 0 0 420.516 5.207 50 0 HKAARN N=c1n(CC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019757316 558274873 /nfs/dbraw/zinc/27/48/73/558274873.db2.gz DNQVSRFHVHYFGW-UHFFFAOYSA-N 0 0 410.304 5.160 50 0 HKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019759999 558276264 /nfs/dbraw/zinc/27/62/64/558276264.db2.gz MEIWCFQAJFJTMX-UHFFFAOYSA-N 0 0 421.544 5.168 50 0 HKAARN Cc1cccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000019760047 558276182 /nfs/dbraw/zinc/27/61/82/558276182.db2.gz MOSZYBPGFACGHN-UHFFFAOYSA-N 0 0 421.544 5.168 50 0 HKAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000019770942 527667513 /nfs/dbraw/zinc/66/75/13/527667513.db2.gz BWRYROPWAKRABL-QFIPXVFZSA-N 0 0 408.908 5.150 50 0 HKAARN COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 ZINC000019773249 558280599 /nfs/dbraw/zinc/28/05/99/558280599.db2.gz FLXFPVCPLOGQHI-HSZRJFAPSA-N 0 0 411.586 5.417 50 0 HKAARN COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 ZINC000019773251 558280637 /nfs/dbraw/zinc/28/06/37/558280637.db2.gz FLXFPVCPLOGQHI-QHCPKHFHSA-N 0 0 411.586 5.417 50 0 HKAARN O=C(N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000019774962 558280834 /nfs/dbraw/zinc/28/08/34/558280834.db2.gz OGFMYUMMABBOAC-HXUWFJFHSA-N 0 0 421.755 5.098 50 0 HKAARN Cc1cc(C(=O)N2CCC(c3n[nH]cc3-c3ccccc3C)CC2)c2ccccc2n1 ZINC000019782122 558281343 /nfs/dbraw/zinc/28/13/43/558281343.db2.gz VIFSFWREXUCNJO-UHFFFAOYSA-N 0 0 410.521 5.262 50 0 HKAARN Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc2nccnc12 ZINC000019788516 558282001 /nfs/dbraw/zinc/28/20/01/558282001.db2.gz ZAUWZHUSFZGZFB-SANMLTNESA-N 0 0 408.480 5.398 50 0 HKAARN Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc2nccnc12 ZINC000019788518 558282011 /nfs/dbraw/zinc/28/20/11/558282011.db2.gz ZAUWZHUSFZGZFB-AREMUKBSSA-N 0 0 408.480 5.398 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019789245 558282202 /nfs/dbraw/zinc/28/22/02/558282202.db2.gz YDBFRZZQFLIAQZ-UHFFFAOYSA-N 0 0 424.466 5.330 50 0 HKAARN N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccccc1 ZINC000019789909 558282335 /nfs/dbraw/zinc/28/23/35/558282335.db2.gz XIIVCUFXWBFWFB-UHFFFAOYSA-N 0 0 410.304 5.160 50 0 HKAARN CN1CCN([C@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790440 569429798 /nfs/dbraw/zinc/42/97/98/569429798.db2.gz NRFOCGXAYOMZMS-NRFANRHFSA-N 0 0 400.632 5.386 50 0 HKAARN CN1CCN([C@@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790441 569429902 /nfs/dbraw/zinc/42/99/02/569429902.db2.gz NRFOCGXAYOMZMS-OAQYLSRUSA-N 0 0 400.632 5.386 50 0 HKAARN Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCCN(Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792457 558283360 /nfs/dbraw/zinc/28/33/60/558283360.db2.gz MHWZWDPCWAQUKW-GFCCVEGCSA-N 0 0 407.386 5.152 50 0 HKAARN Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCCN(Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792458 558283301 /nfs/dbraw/zinc/28/33/01/558283301.db2.gz MHWZWDPCWAQUKW-LBPRGKRZSA-N 0 0 407.386 5.152 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)c(OC)c2)o1 ZINC000019792771 558283235 /nfs/dbraw/zinc/28/32/35/558283235.db2.gz RPRVNKWZTQUQIV-VWLOTQADSA-N 0 0 420.484 5.203 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)c(OC)c2)o1 ZINC000019792772 558283347 /nfs/dbraw/zinc/28/33/47/558283347.db2.gz RPRVNKWZTQUQIV-RUZDIDTESA-N 0 0 420.484 5.203 50 0 HKAARN Cc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000019795567 569430237 /nfs/dbraw/zinc/43/02/37/569430237.db2.gz YUOYHSLJECLGJJ-UHFFFAOYSA-N 0 0 418.880 6.217 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)CC1 ZINC000019796405 569430204 /nfs/dbraw/zinc/43/02/04/569430204.db2.gz LBJXDVCOIDAJQZ-UHFFFAOYSA-N 0 0 413.543 5.076 50 0 HKAARN Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019796587 569430225 /nfs/dbraw/zinc/43/02/25/569430225.db2.gz HEOXSEATAUCJOR-ZDUSSCGKSA-N 0 0 413.543 5.137 50 0 HKAARN Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796588 569430227 /nfs/dbraw/zinc/43/02/27/569430227.db2.gz HEOXSEATAUCJOR-CYBMUJFWSA-N 0 0 413.543 5.137 50 0 HKAARN Cc1sc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1C ZINC000019797033 558284468 /nfs/dbraw/zinc/28/44/68/558284468.db2.gz MVPRZRLDLZKMLD-UHFFFAOYSA-N 0 0 416.535 5.102 50 0 HKAARN CC(=O)CSc1nc2cc(-c3cccc(C)c3)sc2c(=O)n1-c1ccccc1 ZINC000019797165 519430310 /nfs/dbraw/zinc/43/03/10/519430310.db2.gz HTSGZNUQJYIMLF-UHFFFAOYSA-N 0 0 406.532 5.104 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000019798589 518209677 /nfs/dbraw/zinc/20/96/77/518209677.db2.gz METDTICNCWBEDZ-IFMALSPDSA-N 0 0 405.295 5.691 50 0 HKAARN O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019798678 558284855 /nfs/dbraw/zinc/28/48/55/558284855.db2.gz GLWMYAMOGJXLCO-UHFFFAOYSA-N 0 0 404.941 5.008 50 0 HKAARN S=C(Nc1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019798836 558284998 /nfs/dbraw/zinc/28/49/98/558284998.db2.gz VGKCSHCDPHGPFP-UHFFFAOYSA-N 0 0 421.997 5.444 50 0 HKAARN Cc1oc(-c2cccc(F)c2F)nc1CN1CCC[C@@H](COc2ccccc2F)C1 ZINC000019799432 558285033 /nfs/dbraw/zinc/28/50/33/558285033.db2.gz PYEZGPYJHHTBBW-MRXNPFEDSA-N 0 0 416.443 5.358 50 0 HKAARN Cc1oc(-c2cccc(F)c2F)nc1CN1CCC[C@H](COc2ccccc2F)C1 ZINC000019799435 558285143 /nfs/dbraw/zinc/28/51/43/558285143.db2.gz PYEZGPYJHHTBBW-INIZCTEOSA-N 0 0 416.443 5.358 50 0 HKAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000019799485 558284991 /nfs/dbraw/zinc/28/49/91/558284991.db2.gz QUTKLCHBILOMTQ-UHFFFAOYSA-N 0 0 404.168 5.618 50 0 HKAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000019799855 571314488 /nfs/dbraw/zinc/31/44/88/571314488.db2.gz QWEPZKQWNVXKDO-PPGBDMEFSA-N 0 0 402.575 5.449 50 0 HKAARN Cc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019800183 558285299 /nfs/dbraw/zinc/28/52/99/558285299.db2.gz AEMFYVXGYKPGDM-UHFFFAOYSA-N 0 0 401.579 5.099 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000019800349 558285359 /nfs/dbraw/zinc/28/53/59/558285359.db2.gz RBUYCPVXWCPLLM-GBXCKJPGSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000019800351 558285315 /nfs/dbraw/zinc/28/53/15/558285315.db2.gz RBUYCPVXWCPLLM-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN CC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccc4ccccc4c3)cc12 ZINC000019800369 518275300 /nfs/dbraw/zinc/27/53/00/518275300.db2.gz OWRBJGIAUXRXCJ-UHFFFAOYSA-N 0 0 424.887 6.242 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1OC ZINC000019800591 558285590 /nfs/dbraw/zinc/28/55/90/558285590.db2.gz MHPRGWUBDGDGAT-GBXCKJPGSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1OC ZINC000019800592 558285591 /nfs/dbraw/zinc/28/55/91/558285591.db2.gz MHPRGWUBDGDGAT-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN Cc1oc2cc(OC(=O)c3ccc(F)cc3)ccc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000019800761 569357334 /nfs/dbraw/zinc/35/73/34/569357334.db2.gz FJFUOUFZRMYUKE-UHFFFAOYSA-N 0 0 424.811 5.905 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000019800801 558285597 /nfs/dbraw/zinc/28/55/97/558285597.db2.gz PDUWKRPKTNKGEZ-PZJWPPBQSA-N 0 0 424.273 5.226 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000019800802 558285621 /nfs/dbraw/zinc/28/56/21/558285621.db2.gz PDUWKRPKTNKGEZ-TZIWHRDSSA-N 0 0 424.273 5.226 50 0 HKAARN O=C(NCc1ccccc1)c1cc(NCc2ccccc2)c2ccc(Cl)cc2n1 ZINC000019802000 526737411 /nfs/dbraw/zinc/73/74/11/526737411.db2.gz SSNPARXOHSZTTM-UHFFFAOYSA-N 0 0 401.897 5.430 50 0 HKAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000019808944 558286039 /nfs/dbraw/zinc/28/60/39/558286039.db2.gz CXMRWFNMEAPYCC-UHFFFAOYSA-N 0 0 424.497 5.279 50 0 HKAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4cc(F)ccc4C)s3)c(=O)oc2c1 ZINC000019808946 558286032 /nfs/dbraw/zinc/28/60/32/558286032.db2.gz KIJPPZHJVMUHOW-UHFFFAOYSA-N 0 0 424.501 5.349 50 0 HKAARN O=c1c2c(nc(SCc3ccccc3)n1Cc1ccco1)sc1c2CCCC1 ZINC000019809813 558286363 /nfs/dbraw/zinc/28/63/63/558286363.db2.gz OESRBFWLZKWVKG-UHFFFAOYSA-N 0 0 408.548 5.270 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 ZINC000019809831 558286463 /nfs/dbraw/zinc/28/64/63/558286463.db2.gz WOGBKSMPKAUOAN-UHFFFAOYSA-N 0 0 408.910 5.624 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000019809849 558286717 /nfs/dbraw/zinc/28/67/17/558286717.db2.gz VBPQCXSTWWGQKB-UHFFFAOYSA-N 0 0 404.539 5.571 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)C1=Cc3ccccc3OC=C1)C[C@@H](CC)CC2 ZINC000019809880 558286721 /nfs/dbraw/zinc/28/67/21/558286721.db2.gz GDFYYJIELBGORL-HNNXBMFYSA-N 0 0 423.534 5.368 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)C1=Cc3ccccc3OC=C1)C[C@H](CC)CC2 ZINC000019809884 558286698 /nfs/dbraw/zinc/28/66/98/558286698.db2.gz GDFYYJIELBGORL-OAHLLOKOSA-N 0 0 423.534 5.368 50 0 HKAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000019809896 558286661 /nfs/dbraw/zinc/28/66/61/558286661.db2.gz WNTYGIXKHXDPEJ-UHFFFAOYSA-N 0 0 419.837 5.201 50 0 HKAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019809901 527081099 /nfs/dbraw/zinc/08/10/99/527081099.db2.gz DVKYVJPHQCRPEW-UHFFFAOYSA-N 0 0 423.519 5.108 50 0 HKAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(C)c(C)c3)s1)C=CO2 ZINC000019809967 558286685 /nfs/dbraw/zinc/28/66/85/558286685.db2.gz LTPKBHQXVZUVLP-UHFFFAOYSA-N 0 0 418.518 5.288 50 0 HKAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cc(C)cc(C)c3)s1)C=CO2 ZINC000019809972 558286617 /nfs/dbraw/zinc/28/66/17/558286617.db2.gz ODURCFFMSFOLDQ-UHFFFAOYSA-N 0 0 418.518 5.288 50 0 HKAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(Cl)cc3)s1)C=CO2 ZINC000019809974 558286679 /nfs/dbraw/zinc/28/66/79/558286679.db2.gz OAXGMNOPNLGWAO-UHFFFAOYSA-N 0 0 424.909 5.324 50 0 HKAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cccc(Cl)c3)s1)C=CO2 ZINC000019809992 558286598 /nfs/dbraw/zinc/28/65/98/558286598.db2.gz FHXPXHPXQTZDDZ-UHFFFAOYSA-N 0 0 424.909 5.324 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(OC)ccc4OC=C3)s2)cc1 ZINC000019809995 558286725 /nfs/dbraw/zinc/28/67/25/558286725.db2.gz ZJLSFMAXBFPNAX-UHFFFAOYSA-N 0 0 418.518 5.233 50 0 HKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000019810006 558286602 /nfs/dbraw/zinc/28/66/02/558286602.db2.gz HCZKYYYBBZRJOA-JXMROGBWSA-N 0 0 403.938 6.393 50 0 HKAARN COc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccccc2)cc1 ZINC000019810076 523321522 /nfs/dbraw/zinc/32/15/22/523321522.db2.gz PVCGNWUGRSKAGJ-UHFFFAOYSA-N 0 0 403.507 5.244 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 ZINC000019810120 520835483 /nfs/dbraw/zinc/83/54/83/520835483.db2.gz XWKOICNPLHDGOA-UHFFFAOYSA-N 0 0 401.535 5.934 50 0 HKAARN Clc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)cc1 ZINC000019810402 558286701 /nfs/dbraw/zinc/28/67/01/558286701.db2.gz VQDWRDJIGFHTGO-VMPITWQZSA-N 0 0 407.926 6.045 50 0 HKAARN Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 ZINC000019810489 558286977 /nfs/dbraw/zinc/28/69/77/558286977.db2.gz IWDNCPVPJPQGCD-UHFFFAOYSA-N 0 0 421.913 5.408 50 0 HKAARN COc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccccc1 ZINC000019810558 558286962 /nfs/dbraw/zinc/28/69/62/558286962.db2.gz WRYANJBJAHZVME-UHFFFAOYSA-N 0 0 413.506 5.112 50 0 HKAARN Clc1ccccc1CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1 ZINC000019811342 558286923 /nfs/dbraw/zinc/28/69/23/558286923.db2.gz UUQZSSMNUPGTSS-UHFFFAOYSA-N 0 0 416.333 6.186 50 0 HKAARN Clc1cccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c1 ZINC000019811345 526977667 /nfs/dbraw/zinc/97/76/67/526977667.db2.gz NJZGVZGLVRQAQJ-UHFFFAOYSA-N 0 0 416.333 6.186 50 0 HKAARN Cc1ccc(OCc2nnc(SCc3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019811645 558286927 /nfs/dbraw/zinc/28/69/27/558286927.db2.gz OESQHWMWKONVLX-UHFFFAOYSA-N 0 0 419.525 5.895 50 0 HKAARN COc1ccccc1-c1cc(-c2nn3c(nnc3-c3cccc(C)c3)s2)c(C)o1 ZINC000019811705 558286907 /nfs/dbraw/zinc/28/69/07/558286907.db2.gz QGUYNQRUHVAXJG-UHFFFAOYSA-N 0 0 402.479 5.405 50 0 HKAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(-c2ccccc2)cs1 ZINC000019816310 526462808 /nfs/dbraw/zinc/46/28/08/526462808.db2.gz UKCGNYBNUHZWIO-UHFFFAOYSA-N 0 0 424.913 5.475 50 0 HKAARN Cc1nn2c(ncc3c2ccn(-c2cccc(C(F)(F)F)c2)c3=O)c1-c1ccccc1 ZINC000019818794 558288916 /nfs/dbraw/zinc/28/89/16/558288916.db2.gz BXCWJYMHSVMDCA-UHFFFAOYSA-N 0 0 420.394 5.028 50 0 HKAARN Cc1nn2c(ncc3c2ccn(-c2ccccc2C(F)(F)F)c3=O)c1-c1ccccc1 ZINC000019818797 558288859 /nfs/dbraw/zinc/28/88/59/558288859.db2.gz IEVBHUQPNXPVSG-UHFFFAOYSA-N 0 0 420.394 5.028 50 0 HKAARN COC(=O)c1ccc(Cl)c(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 ZINC000019819528 558289999 /nfs/dbraw/zinc/28/99/99/558289999.db2.gz PSYZVZGHQZVQEF-UHFFFAOYSA-N 0 0 420.943 5.191 50 0 HKAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000019819534 558289936 /nfs/dbraw/zinc/28/99/36/558289936.db2.gz UZFJGEFTESNNQB-UHFFFAOYSA-N 0 0 411.596 5.742 50 0 HKAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2Br)s1 ZINC000019819587 558289990 /nfs/dbraw/zinc/28/99/90/558289990.db2.gz BITNXWISLDHHLH-UHFFFAOYSA-N 0 0 407.358 5.514 50 0 HKAARN COc1cc(NC(=O)CCc2sc(C)nc2-c2cccs2)c(OC)cc1Cl ZINC000019819607 558289939 /nfs/dbraw/zinc/28/99/39/558289939.db2.gz LGNYJHYZDQWURI-UHFFFAOYSA-N 0 0 422.959 5.422 50 0 HKAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCC(Cc3ccccc3)CC2)s1 ZINC000019819609 569430624 /nfs/dbraw/zinc/43/06/24/569430624.db2.gz ZAMNZHVJIHAMAU-UHFFFAOYSA-N 0 0 410.608 5.594 50 0 HKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000019822951 525896985 /nfs/dbraw/zinc/89/69/85/525896985.db2.gz HYRUAGMSLYQYLX-JXMROGBWSA-N 0 0 401.510 6.187 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2F)cc1 ZINC000019822955 525901023 /nfs/dbraw/zinc/90/10/23/525901023.db2.gz VWEVEEKRTHWCAT-UHFFFAOYSA-N 0 0 421.472 5.496 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)cc1 ZINC000019823049 558290777 /nfs/dbraw/zinc/29/07/77/558290777.db2.gz ODNMSDGZLUCMTE-UHFFFAOYSA-N 0 0 417.509 5.665 50 0 HKAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2F)cc1 ZINC000019823085 525901312 /nfs/dbraw/zinc/90/13/12/525901312.db2.gz NQHKUQQIISJWOO-UHFFFAOYSA-N 0 0 415.497 5.550 50 0 HKAARN CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccncc2)cc1 ZINC000019823229 520836009 /nfs/dbraw/zinc/83/60/09/520836009.db2.gz BEMNWZPINYIQGI-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccncc2)cc1 ZINC000019823232 558290751 /nfs/dbraw/zinc/29/07/51/558290751.db2.gz PYQMNHXFNHWGGA-UHFFFAOYSA-N 0 0 406.486 5.159 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccncc2)cc1 ZINC000019823234 520835752 /nfs/dbraw/zinc/83/57/52/520835752.db2.gz FQUBFXFQTRNIBU-UHFFFAOYSA-N 0 0 418.522 5.029 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000019823338 520835024 /nfs/dbraw/zinc/83/50/24/520835024.db2.gz CRLFZNMTOQDUGO-UHFFFAOYSA-N 0 0 422.941 5.674 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)cc1 ZINC000019823527 558290976 /nfs/dbraw/zinc/29/09/76/558290976.db2.gz QCFHTPVQJKPGSV-UHFFFAOYSA-N 0 0 414.578 6.228 50 0 HKAARN Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000019823748 558291060 /nfs/dbraw/zinc/29/10/60/558291060.db2.gz TWUSTWYRLVIWKU-UHFFFAOYSA-N 0 0 406.942 5.892 50 0 HKAARN COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccnc2)cc1 ZINC000019823883 558291040 /nfs/dbraw/zinc/29/10/40/558291040.db2.gz RPQIRMAOBQUTFB-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 ZINC000019823977 525899510 /nfs/dbraw/zinc/89/95/10/525899510.db2.gz QSKJGZYHKALPMJ-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccco2)cc1 ZINC000019823990 525902118 /nfs/dbraw/zinc/90/21/18/525902118.db2.gz RTHPKRRHDRAFHE-UHFFFAOYSA-N 0 0 403.551 6.426 50 0 HKAARN Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccco2)cc1 ZINC000019823995 558291016 /nfs/dbraw/zinc/29/10/16/558291016.db2.gz WNUWOEIQUXNCBJ-UHFFFAOYSA-N 0 0 416.333 6.435 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC000019824169 524605303 /nfs/dbraw/zinc/60/53/03/524605303.db2.gz LNSTYCXZNUDHDM-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000019824187 519032320 /nfs/dbraw/zinc/03/23/20/519032320.db2.gz PIHMSGANIHYBJL-UHFFFAOYSA-N 0 0 423.969 6.771 50 0 HKAARN Clc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccco2)cc1 ZINC000019824257 526936810 /nfs/dbraw/zinc/93/68/10/526936810.db2.gz ONPARURMRWWBRJ-UHFFFAOYSA-N 0 0 417.921 6.626 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000019824276 525242360 /nfs/dbraw/zinc/24/23/60/525242360.db2.gz HVOUMTBOPOSHME-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccco2)cc1 ZINC000019824458 558291014 /nfs/dbraw/zinc/29/10/14/558291014.db2.gz DIDFGINZXSSYRB-UHFFFAOYSA-N 0 0 423.469 5.040 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)cc1 ZINC000019824634 525901002 /nfs/dbraw/zinc/90/10/02/525901002.db2.gz LUNAKKHBCGTLSF-UHFFFAOYSA-N 0 0 409.511 5.418 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccs2)cc1 ZINC000019824659 558291075 /nfs/dbraw/zinc/29/10/75/558291075.db2.gz NHVPHNGONNGVOK-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccs2)cc1 ZINC000019824663 558290992 /nfs/dbraw/zinc/29/09/92/558290992.db2.gz QTVNIWXAAFGJIA-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccs2)cc1 ZINC000019824668 558290995 /nfs/dbraw/zinc/29/09/95/558290995.db2.gz LVGFMRJTXYWGMK-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccs2)cc1 ZINC000019824798 525902229 /nfs/dbraw/zinc/90/22/29/525902229.db2.gz VJLOPYLIDNQWFM-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2cccs2)cc1 ZINC000019824937 558291042 /nfs/dbraw/zinc/29/10/42/558291042.db2.gz PGPPTPVPUJIFNS-UHFFFAOYSA-N 0 0 423.563 5.695 50 0 HKAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000019825559 527081896 /nfs/dbraw/zinc/08/18/96/527081896.db2.gz NEQNMDAGLYQROC-UHFFFAOYSA-N 0 0 420.925 5.017 50 0 HKAARN CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 ZINC000019826845 519782171 /nfs/dbraw/zinc/78/21/71/519782171.db2.gz VJVLFIGZESCTMS-UHFFFAOYSA-N 0 0 419.337 5.397 50 0 HKAARN Clc1ccc(-c2nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)s2)c(Cl)c1 ZINC000019826953 558291242 /nfs/dbraw/zinc/29/12/42/558291242.db2.gz SPJUPBTYBOIQOK-UHFFFAOYSA-N 0 0 413.293 5.217 50 0 HKAARN Cc1ccc(-c2cc(-c3nnc4sc(-c5ccc(C(C)(C)C)cc5)nn43)[nH]n2)cc1 ZINC000019827185 525717024 /nfs/dbraw/zinc/71/70/24/525717024.db2.gz NRKMUJSZUMOYFW-UHFFFAOYSA-N 0 0 414.538 5.516 50 0 HKAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(F)cc4)n[nH]3)s2)cc1 ZINC000019827274 519009632 /nfs/dbraw/zinc/00/96/32/519009632.db2.gz MRQBGMVFPOMCLW-UHFFFAOYSA-N 0 0 418.501 5.347 50 0 HKAARN 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O=S(=O)(c1nc(-c2ccco2)oc1Nc1ccccc1)c1ccc(Cl)cc1 ZINC000019864611 527297012 /nfs/dbraw/zinc/29/70/12/527297012.db2.gz SKXIBKWAGOAXSD-UHFFFAOYSA-N 0 0 400.843 5.164 50 0 HKAARN c1cc2cc(c1)CC1(SCCCS1)c1cccc(c1)C1(C2)SCCCS1 ZINC000019865623 526449011 /nfs/dbraw/zinc/44/90/11/526449011.db2.gz VKTOUHDBFMAJGR-UHFFFAOYSA-N 0 0 416.702 6.531 50 0 HKAARN O=C(Cc1ccc(Oc2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000019865872 569357398 /nfs/dbraw/zinc/35/73/98/569357398.db2.gz WOEHRWOCVSLEGM-UHFFFAOYSA-N 0 0 406.481 6.330 50 0 HKAARN Brc1ccc([C@@H]2CC(c3cccc4ccccc43)=Nc3ncnn32)cc1 ZINC000019866032 569357401 /nfs/dbraw/zinc/35/74/01/569357401.db2.gz RTINMHASKNXSLD-FQEVSTJZSA-N 0 0 403.283 5.250 50 0 HKAARN Brc1ccc([C@H]2CC(c3cccc4ccccc43)=Nc3ncnn32)cc1 ZINC000019866035 569357413 /nfs/dbraw/zinc/35/74/13/569357413.db2.gz RTINMHASKNXSLD-HXUWFJFHSA-N 0 0 403.283 5.250 50 0 HKAARN O=C1c2ccccc2[C@H]2C[C@@H](Oc3ccccc3)N1N2c1ccc(Br)cc1 ZINC000019872605 527136528 /nfs/dbraw/zinc/13/65/28/527136528.db2.gz OFZDBILSEDIFES-NHCUHLMSSA-N 0 0 421.294 5.176 50 0 HKAARN O=C1c2ccccc2[C@@H]2C[C@@H](Oc3ccccc3)N1N2c1ccc(Br)cc1 ZINC000019872607 558299824 /nfs/dbraw/zinc/29/98/24/558299824.db2.gz OFZDBILSEDIFES-LEWJYISDSA-N 0 0 421.294 5.176 50 0 HKAARN COc1ccc(COc2ccc(C)nc2-c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000019872918 524119277 /nfs/dbraw/zinc/11/92/77/524119277.db2.gz KIDTVGPLTJFCNG-UHFFFAOYSA-N 0 0 418.443 5.985 50 0 HKAARN Cc1cccc(COc2ccc(C(=O)Nc3ccc(F)cc3)nc2Br)c1 ZINC000019872952 558299645 /nfs/dbraw/zinc/29/96/45/558299645.db2.gz FNCZFYBAHUEGBN-UHFFFAOYSA-N 0 0 415.262 5.123 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCOCC2)cc1 ZINC000019877328 558299959 /nfs/dbraw/zinc/29/99/59/558299959.db2.gz RPCPZNSMAZRUDB-UHFFFAOYSA-N 0 0 422.912 5.217 50 0 HKAARN CSc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019877568 558300284 /nfs/dbraw/zinc/30/02/84/558300284.db2.gz FYXFCWPUDBMEKG-UHFFFAOYSA-N 0 0 418.631 5.491 50 0 HKAARN COc1ccc(C2=CS/C(=C3/SC=C(c4ccc(OC)cc4)S3)S2)cc1 ZINC000019877935 560871929 /nfs/dbraw/zinc/87/19/29/560871929.db2.gz QRDDLELMRNRCSV-FMQUCBEESA-N 0 0 416.614 7.087 50 0 HKAARN O=C1c2ccccc2C2(c3ccc(O)cc3Oc3cc(O)ccc32)N1Cc1ccccc1 ZINC000019878228 569357438 /nfs/dbraw/zinc/35/74/38/569357438.db2.gz NFXKIGBFYJJPIT-UHFFFAOYSA-N 0 0 421.452 5.151 50 0 HKAARN CCCc1cc2c(cc1OC)oc(C(F)(F)F)c(-c1ccc(C(=O)OCC)o1)c2=O ZINC000019878296 569357442 /nfs/dbraw/zinc/35/74/42/569357442.db2.gz WIGLLTTUQAPERN-UHFFFAOYSA-N 0 0 424.371 5.210 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878867 521249074 /nfs/dbraw/zinc/24/90/74/521249074.db2.gz CVNHDPOCRKRVGK-UPVQGACJSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878869 558300252 /nfs/dbraw/zinc/30/02/52/558300252.db2.gz CVNHDPOCRKRVGK-LADGPHEKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878871 558300214 /nfs/dbraw/zinc/30/02/14/558300214.db2.gz CVNHDPOCRKRVGK-VWNXMTODSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019878873 558300243 /nfs/dbraw/zinc/30/02/43/558300243.db2.gz CVNHDPOCRKRVGK-ISKFKSNPSA-N 0 0 422.887 6.120 50 0 HKAARN Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C(Br)=C2Br)cc1 ZINC000019879280 560871932 /nfs/dbraw/zinc/87/19/32/560871932.db2.gz XSKZJFCFNJOLIZ-UHFFFAOYSA-N 0 0 422.116 5.105 50 0 HKAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1)CCCC2 ZINC000019879459 569432947 /nfs/dbraw/zinc/43/29/47/569432947.db2.gz JNIFBUCLQBVDRX-HSZRJFAPSA-N 0 0 412.599 5.130 50 0 HKAARN CC(=O)Nc1sc2c(c1[C@H](c1ccc(C(C)C)cc1)N1CCOCC1)CCCC2 ZINC000019879462 569432956 /nfs/dbraw/zinc/43/29/56/569432956.db2.gz JNIFBUCLQBVDRX-QHCPKHFHSA-N 0 0 412.599 5.130 50 0 HKAARN Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccc(Cl)c(Cl)c3)c2=N)cc1 ZINC000019879846 558300491 /nfs/dbraw/zinc/30/04/91/558300491.db2.gz CMCNQNLQAYXXQA-UHFFFAOYSA-N 0 0 424.331 5.469 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019880226 558300765 /nfs/dbraw/zinc/30/07/65/558300765.db2.gz PAUAHWVBMVTHTR-UHFFFAOYSA-N 0 0 420.556 5.316 50 0 HKAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)CCC4CCCC4)CC3)ccc21 ZINC000019880234 558300694 /nfs/dbraw/zinc/30/06/94/558300694.db2.gz AFHBZDBTPOXDJJ-UHFFFAOYSA-N 0 0 417.597 5.429 50 0 HKAARN CCc1cc([C@H](c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880677 558300885 /nfs/dbraw/zinc/30/08/85/558300885.db2.gz NMJLQMBUDFXZOL-QFIPXVFZSA-N 0 0 424.541 5.124 50 0 HKAARN CCc1cc([C@@H](c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880680 558300859 /nfs/dbraw/zinc/30/08/59/558300859.db2.gz NMJLQMBUDFXZOL-JOCHJYFZSA-N 0 0 424.541 5.124 50 0 HKAARN CCc1cc([C@H](c2ccccc2F)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880731 523843921 /nfs/dbraw/zinc/84/39/21/523843921.db2.gz BFLHKRBYQKGHGX-QFIPXVFZSA-N 0 0 424.541 5.124 50 0 HKAARN CCc1cc([C@@H](c2ccccc2F)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880734 558300823 /nfs/dbraw/zinc/30/08/23/558300823.db2.gz BFLHKRBYQKGHGX-JOCHJYFZSA-N 0 0 424.541 5.124 50 0 HKAARN COc1cc(Br)c(-c2csc(Nc3cc(C)ccc3C)n2)c(OC)c1 ZINC000019880808 569357447 /nfs/dbraw/zinc/35/74/47/569357447.db2.gz XKEWMXJOLLWVQR-UHFFFAOYSA-N 0 0 419.344 5.950 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019881401 569432960 /nfs/dbraw/zinc/43/29/60/569432960.db2.gz PISOIHQJIHDNNX-UHFFFAOYSA-N 0 0 421.544 5.168 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCC3CCCC3)c2)cc1 ZINC000019881469 558301120 /nfs/dbraw/zinc/30/11/20/558301120.db2.gz ORVRFYAUUMDPPO-UHFFFAOYSA-N 0 0 414.933 5.900 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCC3CCCC3)c2)cc1 ZINC000019881473 558301089 /nfs/dbraw/zinc/30/10/89/558301089.db2.gz PDICTXVCZFBMBH-UHFFFAOYSA-N 0 0 400.906 5.510 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC000019881476 558301077 /nfs/dbraw/zinc/30/10/77/558301077.db2.gz JETIAJJBLCEZCO-UHFFFAOYSA-N 0 0 422.912 5.860 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000019881490 519443867 /nfs/dbraw/zinc/44/38/67/519443867.db2.gz UOCBQVOEFIZSCZ-GOSISDBHSA-N 0 0 418.512 6.019 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000019881493 558301113 /nfs/dbraw/zinc/30/11/13/558301113.db2.gz UOCBQVOEFIZSCZ-SFHVURJKSA-N 0 0 418.512 6.019 50 0 HKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccccc1)CO3 ZINC000019882332 558301202 /nfs/dbraw/zinc/30/12/02/558301202.db2.gz VYCQXPNLCFWTLW-UHFFFAOYSA-N 0 0 403.865 5.466 50 0 HKAARN Cc1ccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000019882340 558301250 /nfs/dbraw/zinc/30/12/50/558301250.db2.gz JRQDXWXEKXZPOO-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 HKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccc(F)cc1)CO3 ZINC000019882346 558301210 /nfs/dbraw/zinc/30/12/10/558301210.db2.gz MWVYMAYYRROBKS-UHFFFAOYSA-N 0 0 421.855 5.605 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)cc1)CO3 ZINC000019882350 558301261 /nfs/dbraw/zinc/30/12/61/558301261.db2.gz WFLJNWYMLIZPHA-UHFFFAOYSA-N 0 0 403.865 5.466 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1cccc(Cl)c1)CO3 ZINC000019882356 569433099 /nfs/dbraw/zinc/43/30/99/569433099.db2.gz KFYJZBIYVDPBGV-UHFFFAOYSA-N 0 0 403.865 5.466 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccccc1)CO3 ZINC000019882454 558301191 /nfs/dbraw/zinc/30/11/91/558301191.db2.gz CPAFPTRETJZBRB-UHFFFAOYSA-N 0 0 417.892 5.508 50 0 HKAARN COc1ccc([C@@H](NCc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000019883218 558301458 /nfs/dbraw/zinc/30/14/58/558301458.db2.gz FEBNNVSYKXRBBC-QHCPKHFHSA-N 0 0 419.502 6.022 50 0 HKAARN COc1ccc([C@H](NCc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000019883220 558301466 /nfs/dbraw/zinc/30/14/66/558301466.db2.gz FEBNNVSYKXRBBC-HSZRJFAPSA-N 0 0 419.502 6.022 50 0 HKAARN Cc1ccccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019885064 525267208 /nfs/dbraw/zinc/26/72/08/525267208.db2.gz IQTBHFIJZHFYKZ-UHFFFAOYSA-N 0 0 401.579 5.099 50 0 HKAARN Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000019885424 558302019 /nfs/dbraw/zinc/30/20/19/558302019.db2.gz BSOPSIUARDOVBU-UHFFFAOYSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1 ZINC000019889362 558302351 /nfs/dbraw/zinc/30/23/51/558302351.db2.gz YECPOYLRMQFZPN-UHFFFAOYSA-N 0 0 413.546 5.073 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889955 558302654 /nfs/dbraw/zinc/30/26/54/558302654.db2.gz CSJVIZUHSRAYOY-UHFFFAOYSA-N 0 0 402.538 5.195 50 0 HKAARN CSc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889966 558302727 /nfs/dbraw/zinc/30/27/27/558302727.db2.gz VBSJZBGCYGALDL-UHFFFAOYSA-N 0 0 404.579 5.519 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019890858 558302999 /nfs/dbraw/zinc/30/29/99/558302999.db2.gz KFIFVJZALLPWMW-UHFFFAOYSA-N 0 0 423.560 5.066 50 0 HKAARN O=C1N(c2nc(-c3ccccc3)cs2)CN(C2CCCCC2)CN1c1ccccc1 ZINC000019890875 558303044 /nfs/dbraw/zinc/30/30/44/558303044.db2.gz VXRKBBXBYWLSBI-UHFFFAOYSA-N 0 0 418.566 5.806 50 0 HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccccc1F)CO2 ZINC000019890891 558303175 /nfs/dbraw/zinc/30/31/75/558303175.db2.gz RMTUCSXLYLJTKA-UHFFFAOYSA-N 0 0 415.464 5.302 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cc2ccccc2)c1O ZINC000019891655 558303233 /nfs/dbraw/zinc/30/32/33/558303233.db2.gz VCKLGSXYSOAWBM-UHFFFAOYSA-N 0 0 416.702 5.651 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1NCc1ccc(OC)cc1 ZINC000019891672 569433261 /nfs/dbraw/zinc/43/32/61/569433261.db2.gz BHQUQSAGQBSPOI-UHFFFAOYSA-N 0 0 404.388 5.051 50 0 HKAARN Brc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 ZINC000019892008 558303256 /nfs/dbraw/zinc/30/32/56/558303256.db2.gz AURGIJXUUQUGMZ-UHFFFAOYSA-N 0 0 407.315 5.914 50 0 HKAARN Clc1nc2ccccc2cc1-c1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000019892357 569357440 /nfs/dbraw/zinc/35/74/40/569357440.db2.gz IHFSRBBSSTTYBV-UHFFFAOYSA-N 0 0 407.864 5.813 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019893447 558303449 /nfs/dbraw/zinc/30/34/49/558303449.db2.gz QHNQNUOKROZDAD-MJGOQNOKSA-N 0 0 405.723 5.628 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000019893449 519828878 /nfs/dbraw/zinc/82/88/78/519828878.db2.gz QHNQNUOKROZDAD-IEBWSBKVSA-N 0 0 405.723 5.628 50 0 HKAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000019893535 569433228 /nfs/dbraw/zinc/43/32/28/569433228.db2.gz VOTFHDAYWXJOMB-JXMROGBWSA-N 0 0 417.597 5.004 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 ZINC000019893579 569357411 /nfs/dbraw/zinc/35/74/11/569357411.db2.gz YTEKZJJYRASVKR-GHTZIAJQSA-N 0 0 409.283 5.593 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 ZINC000019893581 569357430 /nfs/dbraw/zinc/35/74/30/569357430.db2.gz YTEKZJJYRASVKR-WIYYLYMNSA-N 0 0 409.283 5.593 50 0 HKAARN CC(=O)n1c2ccccc2cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019893763 569357425 /nfs/dbraw/zinc/35/74/25/569357425.db2.gz NCKDWGPNHWVFAD-OZXSUGGESA-N 0 0 407.473 5.544 50 0 HKAARN CC(=O)n1c2ccccc2cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019893765 569357422 /nfs/dbraw/zinc/35/74/22/569357422.db2.gz NCKDWGPNHWVFAD-JYFHCDHNSA-N 0 0 407.473 5.544 50 0 HKAARN CC(=O)n1c2ccccc2cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893767 569357399 /nfs/dbraw/zinc/35/73/99/569357399.db2.gz NCKDWGPNHWVFAD-BVAGGSTKSA-N 0 0 407.473 5.544 50 0 HKAARN CC(=O)n1c2ccccc2cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893769 569357444 /nfs/dbraw/zinc/35/74/44/569357444.db2.gz NCKDWGPNHWVFAD-ZEQKJWHPSA-N 0 0 407.473 5.544 50 0 HKAARN Fc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)c3ccccc32)cc1 ZINC000019893966 569357412 /nfs/dbraw/zinc/35/74/12/569357412.db2.gz FCHZZCZZZMGJES-UHFFFAOYSA-N 0 0 415.320 7.035 50 0 HKAARN CC(C)Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 ZINC000019893992 569357405 /nfs/dbraw/zinc/35/74/05/569357405.db2.gz LXTQWOVOZDCKQH-UHFFFAOYSA-N 0 0 402.925 5.964 50 0 HKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000019894316 558303526 /nfs/dbraw/zinc/30/35/26/558303526.db2.gz SAGBCELFPGMMRD-UHFFFAOYSA-N 0 0 401.337 6.215 50 0 HKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NC[C@@H]1CCCO1 ZINC000019894318 558303434 /nfs/dbraw/zinc/30/34/34/558303434.db2.gz MNRVJGSZAQNAJY-INIZCTEOSA-N 0 0 403.309 5.061 50 0 HKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NC[C@H]1CCCO1 ZINC000019894319 558303480 /nfs/dbraw/zinc/30/34/80/558303480.db2.gz MNRVJGSZAQNAJY-MRXNPFEDSA-N 0 0 403.309 5.061 50 0 HKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccn1 ZINC000019894321 558303501 /nfs/dbraw/zinc/30/35/01/558303501.db2.gz UVFQDEPLMUCMHK-UHFFFAOYSA-N 0 0 410.304 5.477 50 0 HKAARN Cc1cccc(CNC(=O)c2c(-c3ccc(Cl)cc3)c3cc(Cl)ccc3n2C)c1 ZINC000019894337 558303738 /nfs/dbraw/zinc/30/37/38/558303738.db2.gz XJHWDGPTZVUZFX-UHFFFAOYSA-N 0 0 423.343 6.391 50 0 HKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccccn1)n2C ZINC000019894343 558303653 /nfs/dbraw/zinc/30/36/53/558303653.db2.gz JJHWEEOLWITVOA-UHFFFAOYSA-N 0 0 403.913 5.386 50 0 HKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCCn1ccnc1)n2C ZINC000019894357 558303677 /nfs/dbraw/zinc/30/36/77/558303677.db2.gz FXVQLWQRVFJMIJ-UHFFFAOYSA-N 0 0 420.944 5.078 50 0 HKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1cccs1)n2C ZINC000019894358 558303792 /nfs/dbraw/zinc/30/37/92/558303792.db2.gz ALGTWMULYKGEGO-UHFFFAOYSA-N 0 0 422.981 6.095 50 0 HKAARN Clc1ccccc1COc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000019897301 526988543 /nfs/dbraw/zinc/98/85/43/526988543.db2.gz UXOYOYBNEVMZJK-UHFFFAOYSA-N 0 0 419.897 5.147 50 0 HKAARN C[C@@H](Oc1ccc(Br)cc1Br)c1nc2ccccc2s1 ZINC000019897690 558304232 /nfs/dbraw/zinc/30/42/32/558304232.db2.gz QGNKENHICPCKAL-SECBINFHSA-N 0 0 413.134 5.961 50 0 HKAARN C[C@H](Oc1ccc(Br)cc1Br)c1nc2ccccc2s1 ZINC000019897691 558304201 /nfs/dbraw/zinc/30/42/01/558304201.db2.gz QGNKENHICPCKAL-VIFPVBQESA-N 0 0 413.134 5.961 50 0 HKAARN O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)OC1CCCCC1 ZINC000019897991 571314490 /nfs/dbraw/zinc/31/44/90/571314490.db2.gz JXIWQNOFBUNKNB-KNTRCKAVSA-N 0 0 417.596 5.324 50 0 HKAARN O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000019898035 569357433 /nfs/dbraw/zinc/35/74/33/569357433.db2.gz AMEKAMGPOVEXCH-UHFFFAOYSA-N 0 0 409.272 5.253 50 0 HKAARN COc1ccc(Nc2nn(-c3ccccc3)c(Nc3ccc(OC)cc3)c2Cl)cc1 ZINC000019898473 569357426 /nfs/dbraw/zinc/35/74/26/569357426.db2.gz JLYMGTJBHTWXFM-UHFFFAOYSA-N 0 0 420.900 6.030 50 0 HKAARN CC[C@@H](C)Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000019898481 558304327 /nfs/dbraw/zinc/30/43/27/558304327.db2.gz KRZNDBZIXXAWMG-CQSZACIVSA-N 0 0 404.919 5.347 50 0 HKAARN CC[C@H](C)Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000019898483 558304353 /nfs/dbraw/zinc/30/43/53/558304353.db2.gz KRZNDBZIXXAWMG-AWEZNQCLSA-N 0 0 404.919 5.347 50 0 HKAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000019898555 558304498 /nfs/dbraw/zinc/30/44/98/558304498.db2.gz NROGBDYOAJDYAN-UHFFFAOYSA-N 0 0 407.516 5.319 50 0 HKAARN CCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000019898765 521612937 /nfs/dbraw/zinc/61/29/37/521612937.db2.gz ZXJGXLFQBBYHLO-VHXPQNKSSA-N 0 0 403.507 5.704 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(F)c4)cs3)n2)cc1F ZINC000019898804 558304494 /nfs/dbraw/zinc/30/44/94/558304494.db2.gz WZPPKKNHMSZPFE-UHFFFAOYSA-N 0 0 416.474 5.896 50 0 HKAARN Cc1ccccc1N(Cc1ccccc1)C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000019899277 560872462 /nfs/dbraw/zinc/87/24/62/560872462.db2.gz OFQNKNDDLSKHAM-UHFFFAOYSA-N 0 0 405.541 6.534 50 0 HKAARN O=C(N1CCN(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000019899288 558304786 /nfs/dbraw/zinc/30/47/86/558304786.db2.gz SAQNPWDSFHCRNE-UHFFFAOYSA-N 0 0 401.535 5.227 50 0 HKAARN N=c1n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F ZINC000019900324 558305126 /nfs/dbraw/zinc/30/51/26/558305126.db2.gz QNNJGZWDLFIKCQ-UHFFFAOYSA-N 0 0 411.480 5.342 50 0 HKAARN CCCn1c2ccccc2n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N ZINC000019900970 558305093 /nfs/dbraw/zinc/30/50/93/558305093.db2.gz DBGHZDXMXOFWBW-UHFFFAOYSA-N 0 0 421.585 5.516 50 0 HKAARN S=C(Nc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019907205 558305518 /nfs/dbraw/zinc/30/55/18/558305518.db2.gz NTKIHMFUMSIHNW-UHFFFAOYSA-N 0 0 421.997 5.444 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1 ZINC000019907599 558305933 /nfs/dbraw/zinc/30/59/33/558305933.db2.gz MFAGEJJMFOHPGL-QHCPKHFHSA-N 0 0 417.944 5.154 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1 ZINC000019907601 558305954 /nfs/dbraw/zinc/30/59/54/558305954.db2.gz MFAGEJJMFOHPGL-HSZRJFAPSA-N 0 0 417.944 5.154 50 0 HKAARN OC(c1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000019908377 558305890 /nfs/dbraw/zinc/30/58/90/558305890.db2.gz BJYKHAGIXIUWBX-UHFFFAOYSA-N 0 0 418.128 5.496 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000019908655 569357559 /nfs/dbraw/zinc/35/75/59/569357559.db2.gz FFSWSTBLXLUVLD-GBXCKJPGSA-N 0 0 418.880 5.619 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000019908658 569357564 /nfs/dbraw/zinc/35/75/64/569357564.db2.gz FFSWSTBLXLUVLD-HYBUGGRVSA-N 0 0 418.880 5.619 50 0 HKAARN Clc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC3=CC=CC4=CC=C[C@@H](N2)[C@@H]43)cc1 ZINC000019908937 569357547 /nfs/dbraw/zinc/35/75/47/569357547.db2.gz OWAYLESRBWNJRF-NOOIUNMQSA-N 0 0 424.935 5.319 50 0 HKAARN Clc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC3=CC=CC4=CC=C[C@H](N2)[C@@H]43)cc1 ZINC000019908941 569357536 /nfs/dbraw/zinc/35/75/36/569357536.db2.gz OWAYLESRBWNJRF-FBILRYNDSA-N 0 0 424.935 5.319 50 0 HKAARN CCCCn1c2ccc(Br)cc2c2cc(NC(=O)c3ccccc3)ccc21 ZINC000019909686 558306387 /nfs/dbraw/zinc/30/63/87/558306387.db2.gz BNXJAELZVIVHRC-UHFFFAOYSA-N 0 0 421.338 6.609 50 0 HKAARN COc1ccc(-n2nc(/C=C/c3ccc(C(F)(F)F)cc3)c3ccccc(=O)c32)cc1 ZINC000019909741 558306327 /nfs/dbraw/zinc/30/63/27/558306327.db2.gz VJWGXBIBQMEHBL-OVCLIPMQSA-N 0 0 422.406 5.584 50 0 HKAARN Cc1cc(C)cc(-c2nnc3sc(-c4ccc(-c5ccc(Cl)cc5)o4)nn32)c1 ZINC000019910166 524355086 /nfs/dbraw/zinc/35/50/86/524355086.db2.gz ZNVSTCMAWCXLSE-UHFFFAOYSA-N 0 0 406.898 6.050 50 0 HKAARN O=C(c1ccccc1)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000019910327 558306359 /nfs/dbraw/zinc/30/63/59/558306359.db2.gz QKWLPGYQRFFBPZ-UHFFFAOYSA-N 0 0 400.481 6.437 50 0 HKAARN CN(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 ZINC000019910644 569357557 /nfs/dbraw/zinc/35/75/57/569357557.db2.gz YPTPEEAOTFCMMO-UHFFFAOYSA-N 0 0 416.528 6.334 50 0 HKAARN CCOc1ccc(N2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000019911038 558306332 /nfs/dbraw/zinc/30/63/32/558306332.db2.gz WXFTZALTDMJRMY-LFIBNONCSA-N 0 0 404.285 5.089 50 0 HKAARN O=C(CCc1ccccc1)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000019911328 569357528 /nfs/dbraw/zinc/35/75/28/569357528.db2.gz QEEPLLWXXWOYJV-UHFFFAOYSA-N 0 0 407.517 5.369 50 0 HKAARN Clc1ccc(-c2nnc3nc(-c4ccccc4)cc(-c4ccccc4)n32)c(Cl)c1 ZINC000019911359 558306563 /nfs/dbraw/zinc/30/65/63/558306563.db2.gz XVGPGPCEOMIMLK-UHFFFAOYSA-N 0 0 417.299 6.432 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2CN2CCOCC2)CCCC3)cc1 ZINC000019911555 568585743 /nfs/dbraw/zinc/58/57/43/568585743.db2.gz LDMVAJKFLNDMPO-UHFFFAOYSA-N 0 0 412.599 5.009 50 0 HKAARN O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1CN1CCCCC1 ZINC000019911718 558306599 /nfs/dbraw/zinc/30/65/99/558306599.db2.gz PEPBJCHRMAGCDK-LDADJPATSA-N 0 0 402.903 5.080 50 0 HKAARN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CN1CCCCC1 ZINC000019911721 558306582 /nfs/dbraw/zinc/30/65/82/558306582.db2.gz LLWBDECVKWZHCB-LDADJPATSA-N 0 0 402.903 5.080 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000019912175 526327558 /nfs/dbraw/zinc/32/75/58/526327558.db2.gz GAVHQAQLYGBBOE-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000019912176 558306565 /nfs/dbraw/zinc/30/65/65/558306565.db2.gz GAVHQAQLYGBBOE-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912363 520896950 /nfs/dbraw/zinc/89/69/50/520896950.db2.gz NHNZGYINCDQNTE-GMAHTHKFSA-N 0 0 421.338 6.272 50 0 HKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912366 560872538 /nfs/dbraw/zinc/87/25/38/560872538.db2.gz NHNZGYINCDQNTE-JTHBVZDNSA-N 0 0 421.338 6.272 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912368 560872492 /nfs/dbraw/zinc/87/24/92/560872492.db2.gz NHNZGYINCDQNTE-GGAORHGYSA-N 0 0 421.338 6.272 50 0 HKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912371 560872536 /nfs/dbraw/zinc/87/25/36/560872536.db2.gz NHNZGYINCDQNTE-FYYLOGMGSA-N 0 0 421.338 6.272 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccncc1)O2 ZINC000019912376 569009629 /nfs/dbraw/zinc/00/96/29/569009629.db2.gz RYRPNVYMOYEEGV-NOZRDPDXSA-N 0 0 411.892 6.131 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000019912947 558306844 /nfs/dbraw/zinc/30/68/44/558306844.db2.gz JUUOLDXKOAQXNB-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000019912949 558306858 /nfs/dbraw/zinc/30/68/58/558306858.db2.gz JUUOLDXKOAQXNB-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1OC ZINC000019913173 558306799 /nfs/dbraw/zinc/30/67/99/558306799.db2.gz YCKRABWSUMEZIF-GBXCKJPGSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1OC ZINC000019913175 523880150 /nfs/dbraw/zinc/88/01/50/523880150.db2.gz YCKRABWSUMEZIF-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN Cc1ccc2c(cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)c1 ZINC000019913885 558307105 /nfs/dbraw/zinc/30/71/05/558307105.db2.gz SBYTWQHIUDRMKJ-UHFFFAOYSA-N 0 0 423.560 5.034 50 0 HKAARN CCc1ccc(N2CN(C3CCCCC3)CN(c3ccc(CC)cc3)C2=S)cc1 ZINC000019920977 558307123 /nfs/dbraw/zinc/30/71/23/558307123.db2.gz NMPIAQBLSNYSIC-UHFFFAOYSA-N 0 0 407.627 5.973 50 0 HKAARN Cc1ccc([C@H]2N=C(Nc3cccc(Cl)c3Cl)Nc3nc(C)cc(=O)n32)cc1 ZINC000019921818 558307134 /nfs/dbraw/zinc/30/71/34/558307134.db2.gz BBCIKQLTYDVGDX-SFHVURJKSA-N 0 0 414.296 5.314 50 0 HKAARN CCc1cc2c(C)cc(=O)oc2cc1OCc1nnc(Nc2ccc(C)cc2)s1 ZINC000019923634 523844919 /nfs/dbraw/zinc/84/49/19/523844919.db2.gz WUSRWXVJIRTUNX-UHFFFAOYSA-N 0 0 407.495 5.146 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000019924502 558307622 /nfs/dbraw/zinc/30/76/22/558307622.db2.gz RIQNQVULWAGZSW-GMAHTHKFSA-N 0 0 418.880 5.369 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000019924504 522174788 /nfs/dbraw/zinc/17/47/88/522174788.db2.gz RIQNQVULWAGZSW-JTHBVZDNSA-N 0 0 418.880 5.369 50 0 HKAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000019924506 522167359 /nfs/dbraw/zinc/16/73/59/522167359.db2.gz RIQNQVULWAGZSW-GGAORHGYSA-N 0 0 418.880 5.369 50 0 HKAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000019924507 558307655 /nfs/dbraw/zinc/30/76/55/558307655.db2.gz RIQNQVULWAGZSW-FYYLOGMGSA-N 0 0 418.880 5.369 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C2CCCCC2)cc1 ZINC000019924573 526327916 /nfs/dbraw/zinc/32/79/16/526327916.db2.gz BYWCZOFGWADRKP-RBBKRZOGSA-N 0 0 419.327 6.582 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C2CCCCC2)cc1 ZINC000019924576 569357531 /nfs/dbraw/zinc/35/75/31/569357531.db2.gz BYWCZOFGWADRKP-UNMCSNQZSA-N 0 0 419.327 6.582 50 0 HKAARN CCCOc1cc(-c2nccc3cc(OC)c(OC)cc32)cc(OCC)c1OCC ZINC000019924606 520298907 /nfs/dbraw/zinc/29/89/07/520298907.db2.gz MWVJATCXRMXSJF-UHFFFAOYSA-N 0 0 411.498 5.505 50 0 HKAARN CC(=O)c1ccc(O[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000019925254 568585681 /nfs/dbraw/zinc/58/56/81/568585681.db2.gz AHGFUJAKYYRZAA-MRXNPFEDSA-N 0 0 421.107 5.048 50 0 HKAARN CC(=O)c1ccc(O[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000019925255 568585671 /nfs/dbraw/zinc/58/56/71/568585671.db2.gz AHGFUJAKYYRZAA-INIZCTEOSA-N 0 0 421.107 5.048 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000019925434 558307943 /nfs/dbraw/zinc/30/79/43/558307943.db2.gz NFPZZIKTRYUPHY-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000019925481 558307822 /nfs/dbraw/zinc/30/78/22/558307822.db2.gz BFNNAXXEKHOJAT-UHFFFAOYSA-N 0 0 414.914 5.010 50 0 HKAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3O)nc2c1 ZINC000019925493 558307950 /nfs/dbraw/zinc/30/79/50/558307950.db2.gz MMDFUTINNKMUEI-UHFFFAOYSA-N 0 0 422.868 5.488 50 0 HKAARN CCCn1cnc2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c2c1=O ZINC000019925604 569357521 /nfs/dbraw/zinc/35/75/21/569357521.db2.gz QWBRFFDJUMKPEK-UHFFFAOYSA-N 0 0 419.506 5.221 50 0 HKAARN Cc1ccc(-n2cnc3c2ncnc3Nc2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000019926129 569357555 /nfs/dbraw/zinc/35/75/55/569357555.db2.gz MLXSPYKBEBGXKM-UHFFFAOYSA-N 0 0 421.504 5.755 50 0 HKAARN O=C1C[C@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21 ZINC000019926200 527035486 /nfs/dbraw/zinc/03/54/86/527035486.db2.gz FYBGQGQDKPCNAS-DTXPUJKBSA-N 0 0 412.488 5.720 50 0 HKAARN O=C1C[C@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@H]21 ZINC000019926202 569357511 /nfs/dbraw/zinc/35/75/11/569357511.db2.gz FYBGQGQDKPCNAS-NGDRWEMDSA-N 0 0 412.488 5.720 50 0 HKAARN Cc1ccc2[nH]c(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000019926645 558307812 /nfs/dbraw/zinc/30/78/12/558307812.db2.gz PZZGJVUIPLJPNP-OAQYLSRUSA-N 0 0 405.498 5.160 50 0 HKAARN Cc1ccc2[nH]c(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000019926648 558307916 /nfs/dbraw/zinc/30/79/16/558307916.db2.gz PZZGJVUIPLJPNP-NRFANRHFSA-N 0 0 405.498 5.160 50 0 HKAARN CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000019926870 558308167 /nfs/dbraw/zinc/30/81/67/558308167.db2.gz GBUJDHTVORXSID-HSZRJFAPSA-N 0 0 404.491 5.216 50 0 HKAARN CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000019926872 519721123 /nfs/dbraw/zinc/72/11/23/519721123.db2.gz GBUJDHTVORXSID-QHCPKHFHSA-N 0 0 404.491 5.216 50 0 HKAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(C(F)(F)F)cc1 ZINC000019927075 558308134 /nfs/dbraw/zinc/30/81/34/558308134.db2.gz HETZNYCMCVBIPE-OAHLLOKOSA-N 0 0 402.235 5.247 50 0 HKAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(C(F)(F)F)cc1 ZINC000019927078 558308160 /nfs/dbraw/zinc/30/81/60/558308160.db2.gz HETZNYCMCVBIPE-HNNXBMFYSA-N 0 0 402.235 5.247 50 0 HKAARN Cc1ccc(C(=O)Oc2ccccc2-c2nc3scc(-c4ccccc4)n3n2)cc1 ZINC000019927931 558308291 /nfs/dbraw/zinc/30/82/91/558308291.db2.gz LBTAMAYFMUEPOY-UHFFFAOYSA-N 0 0 411.486 5.652 50 0 HKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2cccc(Cl)c2Cl)n1)CCC3 ZINC000019928087 569357518 /nfs/dbraw/zinc/35/75/18/569357518.db2.gz XVWUUBKWNFCYBC-UHFFFAOYSA-N 0 0 424.378 5.526 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)s1 ZINC000019928153 569357680 /nfs/dbraw/zinc/35/76/80/569357680.db2.gz ABQYUOVHBDMLRU-HNNXBMFYSA-N 0 0 403.345 5.715 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)s1 ZINC000019928156 569357687 /nfs/dbraw/zinc/35/76/87/569357687.db2.gz ABQYUOVHBDMLRU-OAHLLOKOSA-N 0 0 403.345 5.715 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)s1 ZINC000019928158 569357667 /nfs/dbraw/zinc/35/76/67/569357667.db2.gz JJHHCQNDTYRDFE-SCLBCKFNSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)s1 ZINC000019928161 569357668 /nfs/dbraw/zinc/35/76/68/569357668.db2.gz JJHHCQNDTYRDFE-FZKQIMNGSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)s1 ZINC000019928177 569357666 /nfs/dbraw/zinc/35/76/66/569357666.db2.gz WRVBAXVZLFZOIM-OXJNMPFZSA-N 0 0 417.372 5.961 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)s1 ZINC000019928179 569357658 /nfs/dbraw/zinc/35/76/58/569357658.db2.gz WRVBAXVZLFZOIM-JXFKEZNVSA-N 0 0 417.372 5.961 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3CC(C)C)cc1 ZINC000019928215 569357645 /nfs/dbraw/zinc/35/76/45/569357645.db2.gz DPQNYLRPTCKLNF-PZJWPPBQSA-N 0 0 415.331 5.373 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3CC(C)C)cc1 ZINC000019928217 568438816 /nfs/dbraw/zinc/43/88/16/568438816.db2.gz DPQNYLRPTCKLNF-FPOVZHCZSA-N 0 0 415.331 5.373 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)s1 ZINC000019928234 569357689 /nfs/dbraw/zinc/35/76/89/569357689.db2.gz XXIHMWSBGAYHQL-OXJNMPFZSA-N 0 0 411.324 5.753 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)s1 ZINC000019928236 569357641 /nfs/dbraw/zinc/35/76/41/569357641.db2.gz XXIHMWSBGAYHQL-OXQOHEQNSA-N 0 0 411.324 5.753 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000019929044 558309073 /nfs/dbraw/zinc/30/90/73/558309073.db2.gz FFSMEOAMCALXGM-UHFFFAOYSA-N 0 0 413.227 5.111 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1sc(C)nc1-c1cccs1 ZINC000019933132 568586030 /nfs/dbraw/zinc/58/60/30/568586030.db2.gz GNYFVKVONNMVDQ-UHFFFAOYSA-N 0 0 406.960 5.722 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCOCC2)c1C ZINC000019938617 558312921 /nfs/dbraw/zinc/31/29/21/558312921.db2.gz AYPOPNPPFHVZTM-QFIPXVFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCOCC2)c1C ZINC000019938618 526884091 /nfs/dbraw/zinc/88/40/91/526884091.db2.gz AYPOPNPPFHVZTM-JOCHJYFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(C(C)(C)C)ccc2O)c(C)c1 ZINC000019941815 558314023 /nfs/dbraw/zinc/31/40/23/558314023.db2.gz GDKOIJHCDRLVBP-DEOSSOPVSA-N 0 0 413.517 5.891 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)NCCc1csc(-c2ccccn2)n1 ZINC000019942284 558314028 /nfs/dbraw/zinc/31/40/28/558314028.db2.gz CXUOSPQDJLBZKW-UHFFFAOYSA-N 0 0 413.546 5.086 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)NCCc1csc(-c2cccnc2)n1 ZINC000019942445 526324069 /nfs/dbraw/zinc/32/40/69/526324069.db2.gz SINPULRVLTZZDZ-UHFFFAOYSA-N 0 0 413.546 5.086 50 0 HKAARN CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 ZINC000019943822 558314567 /nfs/dbraw/zinc/31/45/67/558314567.db2.gz JCWCFFLMIBALQV-UHFFFAOYSA-N 0 0 418.946 5.236 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)c1cccs1 ZINC000019945477 558314797 /nfs/dbraw/zinc/31/47/97/558314797.db2.gz QYCFWMIDZYNBPB-UHFFFAOYSA-N 0 0 424.953 6.104 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)c1ccco1 ZINC000019945480 558314724 /nfs/dbraw/zinc/31/47/24/558314724.db2.gz TWLNFHQDHBTXSC-UHFFFAOYSA-N 0 0 408.885 5.636 50 0 HKAARN COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1NC(=O)C(C)C ZINC000019945486 558314778 /nfs/dbraw/zinc/31/47/78/558314778.db2.gz SFLHVZZKBGEPGX-UHFFFAOYSA-N 0 0 414.933 5.394 50 0 HKAARN O=C(Nc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1)c1cccs1 ZINC000019945492 558314780 /nfs/dbraw/zinc/31/47/80/558314780.db2.gz SDHBDFLQHDVGGV-UHFFFAOYSA-N 0 0 424.953 6.104 50 0 HKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000019945495 558314744 /nfs/dbraw/zinc/31/47/44/558314744.db2.gz REZBUXOAIJOLEP-UHFFFAOYSA-N 0 0 422.912 5.944 50 0 HKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000019949296 558314765 /nfs/dbraw/zinc/31/47/65/558314765.db2.gz AHDVWXMYGIGGEI-UHFFFAOYSA-N 0 0 408.358 5.794 50 0 HKAARN N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000019952497 558315077 /nfs/dbraw/zinc/31/50/77/558315077.db2.gz YLLWGSXWUZTVKE-UHFFFAOYSA-N 0 0 412.320 5.356 50 0 HKAARN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000019952552 558315051 /nfs/dbraw/zinc/31/50/51/558315051.db2.gz HODZVUNFLGXUQV-UHFFFAOYSA-N 0 0 418.562 5.063 50 0 HKAARN Cc1cccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019973523 558316477 /nfs/dbraw/zinc/31/64/77/558316477.db2.gz WVEMQGFAOFCAJG-UHFFFAOYSA-N 0 0 401.579 5.099 50 0 HKAARN O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019999573 558317911 /nfs/dbraw/zinc/31/79/11/558317911.db2.gz OFXUSZAGTYQNBB-UHFFFAOYSA-N 0 0 414.593 5.137 50 0 HKAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccs1)Cc1cccs1 ZINC000020001086 568586286 /nfs/dbraw/zinc/58/62/86/568586286.db2.gz JSTDXHOERLMWRA-UHFFFAOYSA-N 0 0 417.499 5.220 50 0 HKAARN O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000020004291 527032211 /nfs/dbraw/zinc/03/22/11/527032211.db2.gz ZDMJYGBIQQEOTH-UHFFFAOYSA-N 0 0 400.541 6.929 50 0 HKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000020025238 558322292 /nfs/dbraw/zinc/32/22/92/558322292.db2.gz MMAJTKCIBUGGFG-UHFFFAOYSA-N 0 0 409.251 6.082 50 0 HKAARN Brc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 ZINC000020025312 558322605 /nfs/dbraw/zinc/32/26/05/558322605.db2.gz NYUDZEZRDNMPMI-UHFFFAOYSA-N 0 0 407.296 5.460 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000020025323 558322643 /nfs/dbraw/zinc/32/26/43/558322643.db2.gz SVWMIGCETSKTFP-UHFFFAOYSA-N 0 0 423.356 6.495 50 0 HKAARN c1nc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c(N2CCCCC2)n1 ZINC000020029203 526607384 /nfs/dbraw/zinc/60/73/84/526607384.db2.gz VGINUKUSRJAMLE-UHFFFAOYSA-N 0 0 407.587 5.099 50 0 HKAARN CC1CCN(c2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)CC1 ZINC000020029223 558323618 /nfs/dbraw/zinc/32/36/18/558323618.db2.gz LJLHQTJZZYIFPG-UHFFFAOYSA-N 0 0 421.614 5.345 50 0 HKAARN Cc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1 ZINC000020030731 558324462 /nfs/dbraw/zinc/32/44/62/558324462.db2.gz XCSQPKYDKMUXIM-UHFFFAOYSA-N 0 0 423.881 5.224 50 0 HKAARN Clc1ccc(-c2cn3cccc(OCc4c(Cl)cccc4Cl)c3n2)cc1 ZINC000020031968 558324433 /nfs/dbraw/zinc/32/44/33/558324433.db2.gz CLMHNRIPCRZGPP-UHFFFAOYSA-N 0 0 403.696 6.541 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc2nsnc21)c1sc2ccccc2c1Cl ZINC000020032137 568586531 /nfs/dbraw/zinc/58/65/31/568586531.db2.gz KVNHMMNADASSQF-UHFFFAOYSA-N 0 0 413.833 5.831 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc2c(-c3cccc(Br)c3)cnn21 ZINC000020034016 527679772 /nfs/dbraw/zinc/67/97/72/527679772.db2.gz VFSSTWRJXSJKSD-UHFFFAOYSA-N 0 0 424.245 5.906 50 0 HKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3cccc(Br)c3)cnn21 ZINC000020034020 568586427 /nfs/dbraw/zinc/58/64/27/568586427.db2.gz JEAYWCHHANBXJW-UHFFFAOYSA-N 0 0 418.216 5.845 50 0 HKAARN CCN(C(=O)CSc1ncnc2sc(C)c(C)c21)c1nc2ccccc2s1 ZINC000020048555 558328100 /nfs/dbraw/zinc/32/81/00/558328100.db2.gz QHCXIBYHIXDNGV-UHFFFAOYSA-N 0 0 414.581 5.063 50 0 HKAARN CCO[P@@]1(=O)C=C(C)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000020057858 558328960 /nfs/dbraw/zinc/32/89/60/558328960.db2.gz UJLPVJRJWSVRNS-CYFREDJKSA-N 0 0 406.260 6.139 50 0 HKAARN CCO[P@]1(=O)C=C(C)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000020057859 520589162 /nfs/dbraw/zinc/58/91/62/520589162.db2.gz UJLPVJRJWSVRNS-YADARESESA-N 0 0 406.260 6.139 50 0 HKAARN COc1cccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)O2)c1 ZINC000020058269 568586934 /nfs/dbraw/zinc/58/69/34/568586934.db2.gz TUJUCRCQKGILKA-UNOMPAQXSA-N 0 0 424.250 5.062 50 0 HKAARN O=C1N=C(c2cccc(Cl)c2)O/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000020058273 568586989 /nfs/dbraw/zinc/58/69/89/568586989.db2.gz MIASWUDEGCEMBH-CIAFOILYSA-N 0 0 407.828 5.403 50 0 HKAARN CCO[P@](=O)(c1cccc2ccccc21)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000020058706 568586908 /nfs/dbraw/zinc/58/69/08/568586908.db2.gz MVPMVFAULUXDTR-VAVYLYDRSA-N 0 0 401.446 6.591 50 0 HKAARN CCO[P@@](=O)(c1cccc2ccccc21)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000020058708 568586902 /nfs/dbraw/zinc/58/69/02/568586902.db2.gz MVPMVFAULUXDTR-IRPSRAIASA-N 0 0 401.446 6.591 50 0 HKAARN CCO[P@](=O)(c1cccc2ccccc21)[C@H](Nc1ccccc1)c1ccccc1 ZINC000020058710 568587012 /nfs/dbraw/zinc/58/70/12/568587012.db2.gz MVPMVFAULUXDTR-ABYGYWHVSA-N 0 0 401.446 6.591 50 0 HKAARN CCO[P@@](=O)(c1cccc2ccccc21)[C@H](Nc1ccccc1)c1ccccc1 ZINC000020058712 520588627 /nfs/dbraw/zinc/58/86/27/520588627.db2.gz MVPMVFAULUXDTR-SVEHJYQDSA-N 0 0 401.446 6.591 50 0 HKAARN O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(F)cc1 ZINC000020059968 568586979 /nfs/dbraw/zinc/58/69/79/568586979.db2.gz QDLVBICVOMXRLM-UHFFFAOYSA-N 0 0 412.877 5.100 50 0 HKAARN Cc1cc2n(n1)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cccc1-2 ZINC000020060275 568586961 /nfs/dbraw/zinc/58/69/61/568586961.db2.gz CPBGSENSNCXNHQ-HHHXNRCGSA-N 0 0 417.516 5.992 50 0 HKAARN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cccc1-2 ZINC000020060277 525663462 /nfs/dbraw/zinc/66/34/62/525663462.db2.gz CPBGSENSNCXNHQ-MHZLTWQESA-N 0 0 417.516 5.992 50 0 HKAARN CCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1nc2ccccc2s1 ZINC000020067110 558330296 /nfs/dbraw/zinc/33/02/96/558330296.db2.gz ZKJJXLOTKNVXJL-UHFFFAOYSA-N 0 0 424.551 5.108 50 0 HKAARN CCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 ZINC000020070034 520929587 /nfs/dbraw/zinc/92/95/87/520929587.db2.gz YRLZGVBUAMRJLJ-FLFQWRMESA-N 0 0 409.441 5.234 50 0 HKAARN CCCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 ZINC000020070036 568587440 /nfs/dbraw/zinc/58/74/40/568587440.db2.gz VDVWMKJHGWKYJP-LVWGJNHUSA-N 0 0 423.468 5.624 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000020070124 568587492 /nfs/dbraw/zinc/58/74/92/568587492.db2.gz QKIKQIUFQILJIK-RDGATRHJSA-N 0 0 400.478 5.336 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000020070126 568587453 /nfs/dbraw/zinc/58/74/53/568587453.db2.gz QKIKQIUFQILJIK-RCZVLFRGSA-N 0 0 400.478 5.336 50 0 HKAARN COc1ccc(-c2c(C)nn3c2nc(-c2cccs2)cc3C(F)(F)F)cc1OC ZINC000020070533 558330558 /nfs/dbraw/zinc/33/05/58/558330558.db2.gz YSPWTFNZKQUZPE-UHFFFAOYSA-N 0 0 419.428 5.469 50 0 HKAARN C[C@@H]1CCc2c(sc3nc(N)c(C(=O)Nc4ccccc4F)c(C(F)(F)F)c32)C1 ZINC000020071504 558330738 /nfs/dbraw/zinc/33/07/38/558330738.db2.gz AHBZJHQSKIMKOJ-SECBINFHSA-N 0 0 423.435 5.414 50 0 HKAARN C[C@H]1CCc2c(sc3nc(N)c(C(=O)Nc4ccccc4F)c(C(F)(F)F)c32)C1 ZINC000020071507 558330778 /nfs/dbraw/zinc/33/07/78/558330778.db2.gz AHBZJHQSKIMKOJ-VIFPVBQESA-N 0 0 423.435 5.414 50 0 HKAARN CCc1ccc(NCN2C(=O)S/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000020074340 568587667 /nfs/dbraw/zinc/58/76/67/568587667.db2.gz RPIDGPTUMDKYJE-LICLKQGHSA-N 0 0 407.322 5.662 50 0 HKAARN Cc1cc(C)n([C@@H](Nc2ncc(Cl)cc2Cl)c2ccccc2C(F)(F)F)n1 ZINC000020076835 524549727 /nfs/dbraw/zinc/54/97/27/524549727.db2.gz DKCXRLDWHOXOJI-QGZVFWFLSA-N 0 0 415.246 5.880 50 0 HKAARN Cc1cc(C)n([C@H](Nc2ncc(Cl)cc2Cl)c2ccccc2C(F)(F)F)n1 ZINC000020076838 568587670 /nfs/dbraw/zinc/58/76/70/568587670.db2.gz DKCXRLDWHOXOJI-KRWDZBQOSA-N 0 0 415.246 5.880 50 0 HKAARN Clc1ccc(-c2csc(N3CCN(Cc4ccccc4Cl)CC3)n2)cc1 ZINC000020076935 568587641 /nfs/dbraw/zinc/58/76/41/568587641.db2.gz KVJZUEIKKNNCLN-UHFFFAOYSA-N 0 0 404.366 5.439 50 0 HKAARN CCCCN(C)c1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020082984 520438898 /nfs/dbraw/zinc/43/88/98/520438898.db2.gz LVNLWYZNWPCFDJ-UHFFFAOYSA-N 0 0 409.603 5.345 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000020095916 558331504 /nfs/dbraw/zinc/33/15/04/558331504.db2.gz AASKRIWLTHLDKH-UHFFFAOYSA-N 0 0 406.441 5.201 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3cc(NC(=O)c4ccco4)ccc3C)CCCC2)cc1 ZINC000020096465 524228717 /nfs/dbraw/zinc/22/87/17/524228717.db2.gz QYTLAWVQICOQQS-UHFFFAOYSA-N 0 0 402.494 5.599 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CCCC2)cc1 ZINC000020096473 558331535 /nfs/dbraw/zinc/33/15/35/558331535.db2.gz LACSTHJWACFGEI-UHFFFAOYSA-N 0 0 404.535 5.759 50 0 HKAARN CCC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 ZINC000020096477 521225581 /nfs/dbraw/zinc/22/55/81/521225581.db2.gz NJYRHQXHGMHBRT-UHFFFAOYSA-N 0 0 415.331 5.248 50 0 HKAARN COc1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1NC(=O)c1ccco1 ZINC000020096497 558331455 /nfs/dbraw/zinc/33/14/55/558331455.db2.gz LYFHHPSIEPQTRK-UHFFFAOYSA-N 0 0 418.493 5.299 50 0 HKAARN COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)c1cccs1 ZINC000020096501 558331465 /nfs/dbraw/zinc/33/14/65/558331465.db2.gz FUDRSUYCPCZWIQ-UHFFFAOYSA-N 0 0 420.534 5.460 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)CCCC2)cc1 ZINC000020096511 524229245 /nfs/dbraw/zinc/22/92/45/524229245.db2.gz LATUSRWCBFZVIZ-UHFFFAOYSA-N 0 0 402.494 5.599 50 0 HKAARN CCc1ccccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020098151 558331824 /nfs/dbraw/zinc/33/18/24/558331824.db2.gz ZTGWOSDWNCKKDJ-UHFFFAOYSA-N 0 0 415.606 5.353 50 0 HKAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 ZINC000020101969 558331999 /nfs/dbraw/zinc/33/19/99/558331999.db2.gz BEBDBEZOGLRDGX-KRWDZBQOSA-N 0 0 417.509 5.021 50 0 HKAARN CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1 ZINC000020101971 523997517 /nfs/dbraw/zinc/99/75/17/523997517.db2.gz BEBDBEZOGLRDGX-QGZVFWFLSA-N 0 0 417.509 5.021 50 0 HKAARN CCN(CC)C(=S)Sc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC000020102531 558332258 /nfs/dbraw/zinc/33/22/58/558332258.db2.gz PZMUBAPFHFYSNL-UHFFFAOYSA-N 0 0 419.413 6.316 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@@H](NCc1ccccc1)c1ccc(OC)cc1 ZINC000020102838 558332332 /nfs/dbraw/zinc/33/23/32/558332332.db2.gz PWXSVOMTJRHYKW-HSZRJFAPSA-N 0 0 419.502 6.310 50 0 HKAARN CCCCOP(=O)(OCCCC)[C@H](NCc1ccccc1)c1ccc(OC)cc1 ZINC000020102841 558332422 /nfs/dbraw/zinc/33/24/22/558332422.db2.gz PWXSVOMTJRHYKW-QHCPKHFHSA-N 0 0 419.502 6.310 50 0 HKAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 ZINC000020103004 525681305 /nfs/dbraw/zinc/68/13/05/525681305.db2.gz QOKYUVDDHKQTDU-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(OC)c(Cl)c1 ZINC000020103775 568587860 /nfs/dbraw/zinc/58/78/60/568587860.db2.gz AJPDXNCKZRBBPF-UHFFFAOYSA-N 0 0 424.806 5.836 50 0 HKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cc(Cl)ccc1OC ZINC000020103779 568587928 /nfs/dbraw/zinc/58/79/28/568587928.db2.gz CBXNZRFZXVICQS-UHFFFAOYSA-N 0 0 424.806 5.836 50 0 HKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000020103845 568587849 /nfs/dbraw/zinc/58/78/49/568587849.db2.gz MFVDMDQFZPFXHA-UHFFFAOYSA-N 0 0 424.806 5.836 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc32)cc1Cl ZINC000020104756 568588172 /nfs/dbraw/zinc/58/81/72/568588172.db2.gz IBDDGECDDMPPEI-QDOIMOTRSA-N 0 0 421.972 6.495 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc32)cc1Cl ZINC000020104758 568588215 /nfs/dbraw/zinc/58/82/15/568588215.db2.gz IBDDGECDDMPPEI-XSSDXNQZSA-N 0 0 421.972 6.495 50 0 HKAARN Cc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)c3ccccc32)cc1Cl ZINC000020104808 568588255 /nfs/dbraw/zinc/58/82/55/568588255.db2.gz RPYMXYLRJQAETR-UHFFFAOYSA-N 0 0 422.315 6.846 50 0 HKAARN COc1ccc(NC(=O)CSc2cc(Cl)nc3ccc(C)cc32)cc1Cl ZINC000020105202 568588197 /nfs/dbraw/zinc/58/81/97/568588197.db2.gz OTDWRFUVACKONG-UHFFFAOYSA-N 0 0 407.322 5.589 50 0 HKAARN Cc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000020105646 568588089 /nfs/dbraw/zinc/58/80/89/568588089.db2.gz CEFKXNZPITXZRU-NJNPRVFISA-N 0 0 404.579 6.249 50 0 HKAARN Cc1csc([C@@H](C)N(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)n1 ZINC000020109585 558334823 /nfs/dbraw/zinc/33/48/23/558334823.db2.gz LKXOICXKSLYJDH-QGZVFWFLSA-N 0 0 404.539 5.208 50 0 HKAARN Cc1csc([C@H](C)N(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)n1 ZINC000020109586 558334650 /nfs/dbraw/zinc/33/46/50/558334650.db2.gz LKXOICXKSLYJDH-KRWDZBQOSA-N 0 0 404.539 5.208 50 0 HKAARN COc1c2c(cc3c1[C@H](CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000020111784 568588887 /nfs/dbraw/zinc/58/88/87/568588887.db2.gz IRNPTFWPDQAYHG-FQEVSTJZSA-N 0 0 413.558 5.241 50 0 biogenic HKAARN COc1c2c(cc3c1[C@@H](CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000020111786 568588596 /nfs/dbraw/zinc/58/85/96/568588596.db2.gz IRNPTFWPDQAYHG-HXUWFJFHSA-N 0 0 413.558 5.241 50 0 biogenic HKAARN COc1c2c(cc3c1[C@H](CC(=O)CC/C=C(\C)CCC=C(C)C)N(C)CC3)OCO2 ZINC000020112010 568588875 /nfs/dbraw/zinc/58/88/75/568588875.db2.gz LSLGUUOXZXVOPO-KYRPUADMSA-N 0 0 413.558 5.385 50 0 biogenic HKAARN COc1c2c(cc3c1[C@@H](CC(=O)CC/C=C(\C)CCC=C(C)C)N(C)CC3)OCO2 ZINC000020112013 568588919 /nfs/dbraw/zinc/58/89/19/568588919.db2.gz LSLGUUOXZXVOPO-VGPFOZRTSA-N 0 0 413.558 5.385 50 0 biogenic HKAARN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc21 ZINC000020113279 525133426 /nfs/dbraw/zinc/13/34/26/525133426.db2.gz MDYXALIRBQBFLX-HGHGUNKESA-N 0 0 422.594 5.188 50 0 HKAARN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc21 ZINC000020113282 569009590 /nfs/dbraw/zinc/00/95/90/569009590.db2.gz MDYXALIRBQBFLX-YRISNDGFSA-N 0 0 422.594 5.188 50 0 HKAARN Cc1ccc(CN2C(=O)CSc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc32)cc1 ZINC000020113297 524429145 /nfs/dbraw/zinc/42/91/45/524429145.db2.gz MXFYPYCYKPJJBF-DBXWQHBBSA-N 0 0 422.594 5.188 50 0 HKAARN Cc1ccc(CN2C(=O)CSc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc32)cc1 ZINC000020113299 569009593 /nfs/dbraw/zinc/00/95/93/569009593.db2.gz MXFYPYCYKPJJBF-WAOWUJCRSA-N 0 0 422.594 5.188 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc32)cc1 ZINC000020113951 524722188 /nfs/dbraw/zinc/72/21/88/524722188.db2.gz JLQFXTOIDISWGU-SAHWJRBASA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccc(Nc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc32)cc1 ZINC000020113956 524721963 /nfs/dbraw/zinc/72/19/63/524721963.db2.gz JLQFXTOIDISWGU-HKARXFIJSA-N 0 0 403.526 5.542 50 0 HKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 ZINC000020113965 558336543 /nfs/dbraw/zinc/33/65/43/558336543.db2.gz LXIXMWLYDMFZQX-UHFFFAOYSA-N 0 0 415.581 6.329 50 0 HKAARN COc1ccccc1Nc1ncc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc21 ZINC000020114308 568589266 /nfs/dbraw/zinc/58/92/66/568589266.db2.gz SSARZVZLWAYNKY-LLGFUMIMSA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccccc1Nc1ncc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc21 ZINC000020114312 568589282 /nfs/dbraw/zinc/58/92/82/568589282.db2.gz SSARZVZLWAYNKY-XGHQBKJUSA-N 0 0 403.526 5.542 50 0 HKAARN O=C(CCSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccccc1 ZINC000020120538 526545856 /nfs/dbraw/zinc/54/58/56/526545856.db2.gz WUSAWKNZQRMDPT-UHFFFAOYSA-N 0 0 404.922 6.315 50 0 HKAARN FC(F)(F)c1cc(-c2ccco2)nc(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000020120540 558337053 /nfs/dbraw/zinc/33/70/53/558337053.db2.gz UZJGXVYSPXLLFN-UHFFFAOYSA-N 0 0 414.792 5.430 50 0 HKAARN Cc1cc(SCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1 ZINC000020120542 558337040 /nfs/dbraw/zinc/33/70/40/558337040.db2.gz ZVRRBXWAFWWLDT-UHFFFAOYSA-N 0 0 407.391 6.676 50 0 HKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](NCc1ccccc1)c1ccccc1F ZINC000020131265 519759735 /nfs/dbraw/zinc/75/97/35/519759735.db2.gz SJOMLCCZEGWWRA-JOCHJYFZSA-N 0 0 407.466 6.152 50 0 HKAARN CC(C)COP(=O)(OCC(C)C)[C@H](NCc1ccccc1)c1ccccc1F ZINC000020131269 519759587 /nfs/dbraw/zinc/75/95/87/519759587.db2.gz SJOMLCCZEGWWRA-QFIPXVFZSA-N 0 0 407.466 6.152 50 0 HKAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)c(Cl)c2)sc2c1CCCC2 ZINC000020131379 568589652 /nfs/dbraw/zinc/58/96/52/568589652.db2.gz BVBXPGIEQNQNSD-UHFFFAOYSA-N 0 0 424.975 5.275 50 0 HKAARN COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\c3ccc(C)cc3)n2)cc1 ZINC000020131657 523273464 /nfs/dbraw/zinc/27/34/64/523273464.db2.gz VZNAMSBBNYNUCF-LCUIJRPUSA-N 0 0 409.445 5.699 50 0 HKAARN CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000020135600 558337428 /nfs/dbraw/zinc/33/74/28/558337428.db2.gz NXISYYBJKHRUDP-GOSISDBHSA-N 0 0 412.264 5.504 50 0 HKAARN CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000020135606 558337551 /nfs/dbraw/zinc/33/75/51/558337551.db2.gz NXISYYBJKHRUDP-SFHVURJKSA-N 0 0 412.264 5.504 50 0 HKAARN O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccc(Cl)cc2)on1 ZINC000020137407 558337682 /nfs/dbraw/zinc/33/76/82/558337682.db2.gz RICKRIQWIAFJFG-UHFFFAOYSA-N 0 0 413.605 5.288 50 0 HKAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc1-2 ZINC000020137793 558337984 /nfs/dbraw/zinc/33/79/84/558337984.db2.gz QQFHWPUDYPXZRE-UHFFFAOYSA-N 0 0 422.790 5.373 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3sccn32)cc1C ZINC000020138853 568590285 /nfs/dbraw/zinc/59/02/85/568590285.db2.gz DNJIYTGDXFKBKT-UHFFFAOYSA-N 0 0 414.328 5.891 50 0 HKAARN Cc1cc(C)cc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3sccn32)c1 ZINC000020138859 568590230 /nfs/dbraw/zinc/59/02/30/568590230.db2.gz YVOMMTFSFHCXTC-UHFFFAOYSA-N 0 0 404.539 5.260 50 0 HKAARN O=C(c1csc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149427 558340413 /nfs/dbraw/zinc/34/04/13/558340413.db2.gz UDSJKYZCLRGBLU-UHFFFAOYSA-N 0 0 412.558 5.449 50 0 HKAARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)N=C2SC)cc1 ZINC000020152055 568590846 /nfs/dbraw/zinc/59/08/46/568590846.db2.gz XEBPMNHEIHWVOK-SFQUDFHCSA-N 0 0 406.429 5.211 50 0 HKAARN CCCCSC1=N/C(=C/c2cc(Br)cs2)C(=O)N1c1ccccc1 ZINC000020152105 568590839 /nfs/dbraw/zinc/59/08/39/568590839.db2.gz OSEHODFVLRAAPT-LFIBNONCSA-N 0 0 421.385 5.788 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000020152198 568590864 /nfs/dbraw/zinc/59/08/64/568590864.db2.gz RWCCWHOKLUXVMQ-UHFFFAOYSA-N 0 0 420.365 5.611 50 0 HKAARN Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020152209 568590900 /nfs/dbraw/zinc/59/09/00/568590900.db2.gz LALRBZGVIGZJMH-UHFFFAOYSA-N 0 0 420.365 5.611 50 0 HKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)c(Cl)c2)=NC12CCCC2 ZINC000020152227 568590881 /nfs/dbraw/zinc/59/08/81/568590881.db2.gz VYIHLDCMIYQMFG-UHFFFAOYSA-N 0 0 421.324 5.675 50 0 HKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCC2 ZINC000020152239 568590888 /nfs/dbraw/zinc/59/08/88/568590888.db2.gz FTINFRBIFVAVRL-UHFFFAOYSA-N 0 0 421.324 5.675 50 0 HKAARN CC1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccc(Cl)cc1 ZINC000020152270 568590845 /nfs/dbraw/zinc/59/08/45/568590845.db2.gz SLYCXRUYGRHKGS-UHFFFAOYSA-N 0 0 421.747 5.111 50 0 HKAARN C[C@@]12C[C@@H](c3cc(Cl)ccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccccc1 ZINC000020156126 558342120 /nfs/dbraw/zinc/34/21/20/558342120.db2.gz XGBOSEKNDIMYTA-JTSKRJEESA-N 0 0 424.909 5.420 50 0 HKAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccs1)C(=S)N2c1ccc(F)cc1 ZINC000020156130 568591105 /nfs/dbraw/zinc/59/11/05/568591105.db2.gz OMSCJHVSSFOZHZ-JTSKRJEESA-N 0 0 424.522 5.375 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c(F)cccc1Cl ZINC000020159060 568591607 /nfs/dbraw/zinc/59/16/07/568591607.db2.gz RDXUNKKPRHATPK-UHFFFAOYSA-N 0 0 403.862 5.637 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020166038 569007967 /nfs/dbraw/zinc/00/79/67/569007967.db2.gz WBWKKQXFSNDENL-UHFFFAOYSA-N 0 0 405.929 5.279 50 0 HKAARN O=C(Nc1ccccc1-c1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000020168461 558343100 /nfs/dbraw/zinc/34/31/00/558343100.db2.gz BOYCKEBDQKAUSC-UHFFFAOYSA-N 0 0 400.522 5.203 50 0 HKAARN O=C1C2=C(CCCC2)[C@H](OCCC2CCCCC2)N1CCc1ccc(Cl)cc1 ZINC000020169463 558343437 /nfs/dbraw/zinc/34/34/37/558343437.db2.gz HDYFNCRDTDAPRC-DEOSSOPVSA-N 0 0 401.978 5.908 50 0 HKAARN O=C1C2=C(CCCC2)[C@@H](OCCC2CCCCC2)N1CCc1ccc(Cl)cc1 ZINC000020169465 558343369 /nfs/dbraw/zinc/34/33/69/558343369.db2.gz HDYFNCRDTDAPRC-XMMPIXPASA-N 0 0 401.978 5.908 50 0 HKAARN CCCCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020171131 558343622 /nfs/dbraw/zinc/34/36/22/558343622.db2.gz QOIQJZANVIQDEZ-UHFFFAOYSA-N 0 0 423.630 6.101 50 0 HKAARN CC(C)n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1 ZINC000020171750 519922800 /nfs/dbraw/zinc/92/28/00/519922800.db2.gz TXTNTFGEYKOSPZ-UHFFFAOYSA-N 0 0 410.474 5.142 50 0 HKAARN CC(C)CCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020171985 558343484 /nfs/dbraw/zinc/34/34/84/558343484.db2.gz GXYIZFZJTOTYQA-UHFFFAOYSA-N 0 0 409.603 5.567 50 0 HKAARN CCCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020172001 520228059 /nfs/dbraw/zinc/22/80/59/520228059.db2.gz AKIWZYSEKKTQOI-UHFFFAOYSA-N 0 0 409.603 5.711 50 0 HKAARN CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc1 ZINC000020176847 521097615 /nfs/dbraw/zinc/09/76/15/521097615.db2.gz ZVPWTDLOZMOTEG-UHFFFAOYSA-N 0 0 416.884 5.383 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(C)c(F)c2)n1 ZINC000020177724 568592801 /nfs/dbraw/zinc/59/28/01/568592801.db2.gz YXXWWELVPOCBIC-UHFFFAOYSA-N 0 0 416.287 5.930 50 0 HKAARN Clc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020178141 568592845 /nfs/dbraw/zinc/59/28/45/568592845.db2.gz SBTIBYLDVXFCDQ-NRFANRHFSA-N 0 0 424.331 5.965 50 0 HKAARN Clc1ccc(CCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020178143 568592887 /nfs/dbraw/zinc/59/28/87/568592887.db2.gz SBTIBYLDVXFCDQ-OAQYLSRUSA-N 0 0 424.331 5.965 50 0 HKAARN Clc1ccc([C@@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)cc1 ZINC000020178165 568592786 /nfs/dbraw/zinc/59/27/86/568592786.db2.gz ASBNQIIDXZFWTP-HSZRJFAPSA-N 0 0 415.924 6.470 50 0 HKAARN Clc1ccc([C@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)cc1 ZINC000020178167 526962389 /nfs/dbraw/zinc/96/23/89/526962389.db2.gz ASBNQIIDXZFWTP-QHCPKHFHSA-N 0 0 415.924 6.470 50 0 HKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000020178169 568592741 /nfs/dbraw/zinc/59/27/41/568592741.db2.gz BQBZHJYJHNCCNJ-IBGZPJMESA-N 0 0 414.267 6.384 50 0 HKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1Cl ZINC000020178171 568592844 /nfs/dbraw/zinc/59/28/44/568592844.db2.gz BQBZHJYJHNCCNJ-LJQANCHMSA-N 0 0 414.267 6.384 50 0 HKAARN Clc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000020178181 568592746 /nfs/dbraw/zinc/59/27/46/568592746.db2.gz ZWHGECRUIGFXQN-NRFANRHFSA-N 0 0 424.331 5.965 50 0 HKAARN Clc1ccc(CCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000020178183 568592898 /nfs/dbraw/zinc/59/28/98/568592898.db2.gz ZWHGECRUIGFXQN-OAQYLSRUSA-N 0 0 424.331 5.965 50 0 HKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)c(Cl)c1 ZINC000020178195 525319032 /nfs/dbraw/zinc/31/90/32/525319032.db2.gz PATZXPBFAKCHGX-FQEVSTJZSA-N 0 0 410.304 6.553 50 0 HKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)c(Cl)c1 ZINC000020178197 568592885 /nfs/dbraw/zinc/59/28/85/568592885.db2.gz PATZXPBFAKCHGX-HXUWFJFHSA-N 0 0 410.304 6.553 50 0 HKAARN Clc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020178199 568592792 /nfs/dbraw/zinc/59/27/92/568592792.db2.gz MSWNIGHIQIUKJE-NRFANRHFSA-N 0 0 424.331 5.965 50 0 HKAARN Clc1ccc(CCN[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020178201 568592819 /nfs/dbraw/zinc/59/28/19/568592819.db2.gz MSWNIGHIQIUKJE-OAQYLSRUSA-N 0 0 424.331 5.965 50 0 HKAARN Cc1ccc(C)c(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3)CC2)c1 ZINC000020178219 568592776 /nfs/dbraw/zinc/59/27/76/568592776.db2.gz NSJLZOXQOTUFIH-VWLOTQADSA-N 0 0 424.548 5.265 50 0 HKAARN Cc1ccc(C)c(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3)CC2)c1 ZINC000020178221 568592756 /nfs/dbraw/zinc/59/27/56/568592756.db2.gz NSJLZOXQOTUFIH-RUZDIDTESA-N 0 0 424.548 5.265 50 0 HKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1Cl ZINC000020178233 526355116 /nfs/dbraw/zinc/35/51/16/526355116.db2.gz HZKPSDTUGQIEBW-IBGZPJMESA-N 0 0 414.267 6.384 50 0 HKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1Cl ZINC000020178235 568592854 /nfs/dbraw/zinc/59/28/54/568592854.db2.gz HZKPSDTUGQIEBW-LJQANCHMSA-N 0 0 414.267 6.384 50 0 HKAARN Clc1cccc([C@@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)c1 ZINC000020178237 568592799 /nfs/dbraw/zinc/59/27/99/568592799.db2.gz CLXZSUWISLCJLN-HSZRJFAPSA-N 0 0 415.924 6.470 50 0 HKAARN Clc1cccc([C@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)c1 ZINC000020178239 568592855 /nfs/dbraw/zinc/59/28/55/568592855.db2.gz CLXZSUWISLCJLN-QHCPKHFHSA-N 0 0 415.924 6.470 50 0 HKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1F ZINC000020178257 568592728 /nfs/dbraw/zinc/59/27/28/568592728.db2.gz UPQYZLPWBCULDI-FQEVSTJZSA-N 0 0 411.839 6.178 50 0 HKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1F ZINC000020178259 568592734 /nfs/dbraw/zinc/59/27/34/568592734.db2.gz UPQYZLPWBCULDI-HXUWFJFHSA-N 0 0 411.839 6.178 50 0 HKAARN Cc1cc(C)cc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)c1 ZINC000020178277 568592750 /nfs/dbraw/zinc/59/27/50/568592750.db2.gz GQQYGTYWWQCQPW-NRFANRHFSA-N 0 0 407.876 6.347 50 0 HKAARN Cc1cc(C)cc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)c1 ZINC000020178279 524438393 /nfs/dbraw/zinc/43/83/93/524438393.db2.gz GQQYGTYWWQCQPW-OAQYLSRUSA-N 0 0 407.876 6.347 50 0 HKAARN Fc1ccc(CN[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178321 568592866 /nfs/dbraw/zinc/59/28/66/568592866.db2.gz NPOLRHCEHNOBME-FQEVSTJZSA-N 0 0 411.839 5.547 50 0 HKAARN Fc1ccc(CN[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178323 568592751 /nfs/dbraw/zinc/59/27/51/568592751.db2.gz NPOLRHCEHNOBME-HXUWFJFHSA-N 0 0 411.839 5.547 50 0 HKAARN Fc1ccc([C@@H](NCCC2=CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178325 568592730 /nfs/dbraw/zinc/59/27/30/568592730.db2.gz SPZSYPFDEZUMJG-OAQYLSRUSA-N 0 0 411.908 6.099 50 0 HKAARN Fc1ccc([C@H](NCCC2=CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178327 568592760 /nfs/dbraw/zinc/59/27/60/568592760.db2.gz SPZSYPFDEZUMJG-NRFANRHFSA-N 0 0 411.908 6.099 50 0 HKAARN Cc1ccc(CCN[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178335 568592768 /nfs/dbraw/zinc/59/27/68/568592768.db2.gz UEGSWOARNYEWSY-QFIPXVFZSA-N 0 0 421.903 5.759 50 0 HKAARN Cc1ccc(CCN[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178337 568592778 /nfs/dbraw/zinc/59/27/78/568592778.db2.gz UEGSWOARNYEWSY-JOCHJYFZSA-N 0 0 421.903 5.759 50 0 HKAARN Fc1ccccc1[C@@H](NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000020178352 568592782 /nfs/dbraw/zinc/59/27/82/568592782.db2.gz UBBKHPPSXJIFMA-OAQYLSRUSA-N 0 0 407.876 5.451 50 0 HKAARN Fc1ccccc1[C@H](NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000020178354 568592861 /nfs/dbraw/zinc/59/28/61/568592861.db2.gz UBBKHPPSXJIFMA-NRFANRHFSA-N 0 0 407.876 5.451 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1Cl ZINC000020178358 568592871 /nfs/dbraw/zinc/59/28/71/568592871.db2.gz GTWCUROKROMVJF-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1Cl ZINC000020178360 568592743 /nfs/dbraw/zinc/59/27/43/568592743.db2.gz GTWCUROKROMVJF-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN COc1cc(Cl)c(C)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000020178365 568592882 /nfs/dbraw/zinc/59/28/82/568592882.db2.gz MZUGEGIGNXUEBF-OAQYLSRUSA-N 0 0 423.875 6.048 50 0 HKAARN COc1cc(Cl)c(C)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000020178367 568592815 /nfs/dbraw/zinc/59/28/15/568592815.db2.gz MZUGEGIGNXUEBF-NRFANRHFSA-N 0 0 423.875 6.048 50 0 HKAARN CCN(C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(C)cc2)cs1 ZINC000020178641 520003089 /nfs/dbraw/zinc/00/30/89/520003089.db2.gz NOYNKWJMWQADOO-UHFFFAOYSA-N 0 0 405.445 6.196 50 0 HKAARN Cc1ccc2cc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc2c1 ZINC000020178716 568593004 /nfs/dbraw/zinc/59/30/04/568593004.db2.gz KHLUFHQBLJJJDI-UHFFFAOYSA-N 0 0 421.953 5.374 50 0 HKAARN COc1ccc2nc3sc(C(=O)N(C)c4cccc(C(F)(F)F)c4)cc3cc2c1 ZINC000020178820 525681204 /nfs/dbraw/zinc/68/12/04/525681204.db2.gz GNZNKYVPVDISIJ-UHFFFAOYSA-N 0 0 416.424 5.754 50 0 HKAARN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)c1 ZINC000020180056 568593121 /nfs/dbraw/zinc/59/31/21/568593121.db2.gz SCMWCHUIVKPNKD-MTJSOVHGSA-N 0 0 420.559 5.096 50 0 HKAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCc3cccs3)cc2N(C)C1=O ZINC000020180137 568593005 /nfs/dbraw/zinc/59/30/05/568593005.db2.gz DCNHPONQPDVJNM-BKUYFWCQSA-N 0 0 420.559 5.096 50 0 HKAARN Cc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3nc(C)cc(C)n32)c1 ZINC000020182008 568593049 /nfs/dbraw/zinc/59/30/49/568593049.db2.gz CVLXNVSINZRTRP-UHFFFAOYSA-N 0 0 423.314 5.533 50 0 HKAARN Oc1ccc(Br)cc1-c1nc2ncccn2c1Nc1ccc(Cl)cc1 ZINC000020182017 518203663 /nfs/dbraw/zinc/20/36/63/518203663.db2.gz VSJBNCMYZBITRG-UHFFFAOYSA-N 0 0 415.678 5.261 50 0 HKAARN CCc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 ZINC000020182345 568593224 /nfs/dbraw/zinc/59/32/24/568593224.db2.gz VXQBGOGSBNTWHO-UHFFFAOYSA-N 0 0 420.563 5.493 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 ZINC000020182361 568593290 /nfs/dbraw/zinc/59/32/90/568593290.db2.gz BKXQWIVMODVEAJ-UHFFFAOYSA-N 0 0 420.563 5.548 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2SCC(=O)Nc2nccs2)cc1 ZINC000020182365 568593173 /nfs/dbraw/zinc/59/31/73/568593173.db2.gz BBYWMULHRAZMTH-UHFFFAOYSA-N 0 0 424.526 5.379 50 0 HKAARN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccccc1 ZINC000020182426 568593265 /nfs/dbraw/zinc/59/32/65/568593265.db2.gz MMSATYJXQQOEKU-UHFFFAOYSA-N 0 0 403.482 5.614 50 0 HKAARN FC(F)(F)c1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1cccc(Cl)c1 ZINC000020183434 568593212 /nfs/dbraw/zinc/59/32/12/568593212.db2.gz YUDCLJTWSRRUOU-UHFFFAOYSA-N 0 0 423.825 6.913 50 0 HKAARN FC(F)(F)c1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1ccc(Cl)cc1 ZINC000020183438 568593329 /nfs/dbraw/zinc/59/33/29/568593329.db2.gz QISBDSPYQWRKMX-UHFFFAOYSA-N 0 0 423.825 6.913 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(C(F)(F)F)ccc32)cc1 ZINC000020183482 525837319 /nfs/dbraw/zinc/83/73/19/525837319.db2.gz UVPRKRKNTDSVKZ-UHFFFAOYSA-N 0 0 421.397 6.707 50 0 HKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc(C(F)(F)F)ccc32)cc1 ZINC000020183490 568593218 /nfs/dbraw/zinc/59/32/18/568593218.db2.gz GQYJJPPVEFBHRS-UHFFFAOYSA-N 0 0 421.397 6.707 50 0 HKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 ZINC000020188889 558344332 /nfs/dbraw/zinc/34/43/32/558344332.db2.gz RRQPVYXDAFTDEL-UHFFFAOYSA-N 0 0 400.825 5.018 50 0 HKAARN CCCN(CCC)c1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020190803 558344568 /nfs/dbraw/zinc/34/45/68/558344568.db2.gz ZTUYFLPTHCDHQQ-UHFFFAOYSA-N 0 0 423.630 5.735 50 0 HKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCC(Cc2ccccc2)CC1 ZINC000020191253 558344505 /nfs/dbraw/zinc/34/45/05/558344505.db2.gz FWNMSQUDGMSUPH-UHFFFAOYSA-N 0 0 411.553 5.121 50 0 HKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(Br)cc1 ZINC000020191284 558344472 /nfs/dbraw/zinc/34/44/72/558344472.db2.gz OPYRAZIASCFIKH-UHFFFAOYSA-N 0 0 408.303 5.168 50 0 HKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000020191287 558344579 /nfs/dbraw/zinc/34/45/79/558344579.db2.gz QBYCWYGPZWAISK-UHFFFAOYSA-N 0 0 413.403 5.304 50 0 HKAARN Cc1sc2c(c1C)CN(CCc1c[nH]c3ccccc13)CN2C(=O)c1ccco1 ZINC000020192549 568593586 /nfs/dbraw/zinc/59/35/86/568593586.db2.gz BKQDGCNMSPYSQJ-UHFFFAOYSA-N 0 0 405.523 5.102 50 0 HKAARN CCc1cc([C@H](c2ccc(C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000020193309 558344764 /nfs/dbraw/zinc/34/47/64/558344764.db2.gz QSUMPNRMTBNOGD-QHCPKHFHSA-N 0 0 420.578 5.293 50 0 HKAARN CCc1cc([C@@H](c2ccc(C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000020193310 558344780 /nfs/dbraw/zinc/34/47/80/558344780.db2.gz QSUMPNRMTBNOGD-HSZRJFAPSA-N 0 0 420.578 5.293 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCOCC2)c1C ZINC000020193371 568593964 /nfs/dbraw/zinc/59/39/64/568593964.db2.gz BSGMBMCNVBQUSR-QFIPXVFZSA-N 0 0 406.551 5.039 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCOCC2)c1C ZINC000020193374 526884949 /nfs/dbraw/zinc/88/49/49/526884949.db2.gz BSGMBMCNVBQUSR-JOCHJYFZSA-N 0 0 406.551 5.039 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000020193422 526884015 /nfs/dbraw/zinc/88/40/15/526884015.db2.gz OGEUBVDXRBSGKM-QFIPXVFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000020193425 568593938 /nfs/dbraw/zinc/59/39/38/568593938.db2.gz OGEUBVDXRBSGKM-JOCHJYFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCOCC2)c1C ZINC000020193482 526884760 /nfs/dbraw/zinc/88/47/60/526884760.db2.gz JPGZWKQCLCOLRZ-QFIPXVFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCOCC2)c1C ZINC000020193485 558344755 /nfs/dbraw/zinc/34/47/55/558344755.db2.gz JPGZWKQCLCOLRZ-JOCHJYFZSA-N 0 0 424.541 5.178 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCOCC2)c1C ZINC000020193563 568593913 /nfs/dbraw/zinc/59/39/13/568593913.db2.gz XBIOKJWOWDTWMO-FQEVSTJZSA-N 0 0 412.580 5.100 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCOCC2)c1C ZINC000020193566 568593916 /nfs/dbraw/zinc/59/39/16/568593916.db2.gz XBIOKJWOWDTWMO-HXUWFJFHSA-N 0 0 412.580 5.100 50 0 HKAARN O=C(c1sccc1Cl)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000020203305 558345998 /nfs/dbraw/zinc/34/59/98/558345998.db2.gz XHJUEVBPHZDBDG-GFCCVEGCSA-N 0 0 407.873 5.090 50 0 HKAARN O=C(c1sccc1Cl)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000020203308 558346113 /nfs/dbraw/zinc/34/61/13/558346113.db2.gz XHJUEVBPHZDBDG-LBPRGKRZSA-N 0 0 407.873 5.090 50 0 HKAARN CCOc1ccc(-c2nc(CN3CCC(Oc4cccc(F)c4)CC3)c(C)o2)cc1 ZINC000020203854 558346557 /nfs/dbraw/zinc/34/65/57/558346557.db2.gz ONNCYYJAFYDTRU-UHFFFAOYSA-N 0 0 410.489 5.231 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c(C)c1C ZINC000020209719 558347150 /nfs/dbraw/zinc/34/71/50/558347150.db2.gz WUBHRGQNPDGWKM-DEOSSOPVSA-N 0 0 403.551 5.398 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c(C)c1C ZINC000020209722 558347206 /nfs/dbraw/zinc/34/72/06/558347206.db2.gz WUBHRGQNPDGWKM-XMMPIXPASA-N 0 0 403.551 5.398 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000020211576 524242574 /nfs/dbraw/zinc/24/25/74/524242574.db2.gz HXCLKVOTNMWOJB-UHFFFAOYSA-N 0 0 419.864 5.683 50 0 HKAARN COc1ccc(-n2cc(CNCc3cc(C(C)C)no3)c(-c3cccc(F)c3)n2)cc1 ZINC000020212015 523328816 /nfs/dbraw/zinc/32/88/16/523328816.db2.gz ITVKBTHVZQHHSU-UHFFFAOYSA-N 0 0 420.488 5.088 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020212200 568594475 /nfs/dbraw/zinc/59/44/75/568594475.db2.gz FGCMCPGIPIDNDA-HYFFOGBASA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020212207 568594321 /nfs/dbraw/zinc/59/43/21/568594321.db2.gz FGCMCPGIPIDNDA-PNLZDCPESA-N 0 0 403.526 5.542 50 0 HKAARN Cc1ccc(C)c(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)c1 ZINC000020212316 568594397 /nfs/dbraw/zinc/59/43/97/568594397.db2.gz WKJYHFTUDZJZRE-SFGWALBWSA-N 0 0 401.554 6.150 50 0 HKAARN Cc1ccc(C)c(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)c1 ZINC000020212321 568594394 /nfs/dbraw/zinc/59/43/94/568594394.db2.gz WKJYHFTUDZJZRE-LRXVAGHRSA-N 0 0 401.554 6.150 50 0 HKAARN Cc1cc(C)cc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)c1 ZINC000020212378 568594478 /nfs/dbraw/zinc/59/44/78/568594478.db2.gz CXBNENBCHJOJGG-DNVFCKCGSA-N 0 0 401.554 6.150 50 0 HKAARN Cc1cc(C)cc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)c1 ZINC000020212383 568594471 /nfs/dbraw/zinc/59/44/71/568594471.db2.gz CXBNENBCHJOJGG-YCRNBWNJSA-N 0 0 401.554 6.150 50 0 HKAARN CSc1cccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)c1 ZINC000020212406 568594454 /nfs/dbraw/zinc/59/44/54/568594454.db2.gz MLFMYRASBZFLKW-HYFFOGBASA-N 0 0 419.594 6.255 50 0 HKAARN CSc1cccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)c1 ZINC000020212417 568594453 /nfs/dbraw/zinc/59/44/53/568594453.db2.gz MLFMYRASBZFLKW-PNLZDCPESA-N 0 0 419.594 6.255 50 0 HKAARN CC(C)c1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020212462 568594414 /nfs/dbraw/zinc/59/44/14/568594414.db2.gz LNBBMEZYDRGQGJ-YDIMBITNSA-N 0 0 415.581 6.656 50 0 HKAARN CC(C)c1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1 ZINC000020212470 519837825 /nfs/dbraw/zinc/83/78/25/519837825.db2.gz LNBBMEZYDRGQGJ-AXHZCLLHSA-N 0 0 415.581 6.656 50 0 HKAARN COc1ccccc1Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2n1 ZINC000020212495 568594354 /nfs/dbraw/zinc/59/43/54/568594354.db2.gz SEAJQKUKYIKKCM-FUHIMQAGSA-N 0 0 403.526 5.542 50 0 HKAARN COc1ccccc1Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2n1 ZINC000020212504 524648704 /nfs/dbraw/zinc/64/87/04/524648704.db2.gz SEAJQKUKYIKKCM-ABSDTBQOSA-N 0 0 403.526 5.542 50 0 HKAARN O=C1c2ccccc2[C@H](Nc2ccccc2C(F)(F)F)N1Cc1ccccc1Cl ZINC000020213568 568594476 /nfs/dbraw/zinc/59/44/76/568594476.db2.gz ZFVWVYRXUZMOGD-HXUWFJFHSA-N 0 0 416.830 6.126 50 0 HKAARN O=C1c2ccccc2[C@@H](Nc2ccccc2C(F)(F)F)N1Cc1ccccc1Cl ZINC000020213572 527136483 /nfs/dbraw/zinc/13/64/83/527136483.db2.gz ZFVWVYRXUZMOGD-FQEVSTJZSA-N 0 0 416.830 6.126 50 0 HKAARN O=C1c2ccccc2[C@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccccc1Cl ZINC000020213576 568594470 /nfs/dbraw/zinc/59/44/70/568594470.db2.gz MLLIGIHSIMOFEU-HXUWFJFHSA-N 0 0 416.830 6.126 50 0 HKAARN O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccccc1Cl ZINC000020213579 568594446 /nfs/dbraw/zinc/59/44/46/568594446.db2.gz MLLIGIHSIMOFEU-FQEVSTJZSA-N 0 0 416.830 6.126 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)cc(C(=O)NCc3ccccc3Cl)c12 ZINC000020213919 568594477 /nfs/dbraw/zinc/59/44/77/568594477.db2.gz FKLVVFDZMRVUCC-UHFFFAOYSA-N 0 0 418.928 5.238 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)cc(C(=O)NCc3ccc(Cl)cc3)c12 ZINC000020213923 527521282 /nfs/dbraw/zinc/52/12/82/527521282.db2.gz SAEIKGAOTFYCLT-UHFFFAOYSA-N 0 0 418.928 5.238 50 0 HKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(NCc3ccc(Cl)cc3)nc2n1 ZINC000020218491 558348456 /nfs/dbraw/zinc/34/84/56/558348456.db2.gz QPNKSLVIYZEVFC-UHFFFAOYSA-N 0 0 405.729 5.933 50 0 HKAARN CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(C(C)(C)C)cc3)s2)CC1 ZINC000020218615 568594765 /nfs/dbraw/zinc/59/47/65/568594765.db2.gz VSIBDRHENNWCPD-UHFFFAOYSA-N 0 0 402.560 5.008 50 0 HKAARN CC(C)(C)c1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1 ZINC000020218617 568594923 /nfs/dbraw/zinc/59/49/23/568594923.db2.gz UFRFAJKMKYNDNS-UHFFFAOYSA-N 0 0 407.583 5.555 50 0 HKAARN COc1ccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 ZINC000020218687 524101622 /nfs/dbraw/zinc/10/16/22/524101622.db2.gz GAXKIEQFYZHWPM-UHFFFAOYSA-N 0 0 401.310 5.288 50 0 HKAARN CCOC(=O)c1cnc2c(sc(C(F)(F)F)c2-c2ccccc2)c1N1CCCC1 ZINC000020223853 558349424 /nfs/dbraw/zinc/34/94/24/558349424.db2.gz CZMPFZWIRGVVRA-UHFFFAOYSA-N 0 0 420.456 5.759 50 0 HKAARN CN(CCOC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000020230193 558349888 /nfs/dbraw/zinc/34/98/88/558349888.db2.gz KJGYTUZCUYDWOZ-UHFFFAOYSA-N 0 0 408.207 5.092 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=N)c1ccc(Cl)cc1 ZINC000020230239 558349905 /nfs/dbraw/zinc/34/99/05/558349905.db2.gz WYMOMDUBODWRRF-UHFFFAOYSA-N 0 0 408.672 5.366 50 0 HKAARN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000020232708 558350489 /nfs/dbraw/zinc/35/04/89/558350489.db2.gz VXFAKTCTIRFEJX-UHFFFAOYSA-N 0 0 400.588 5.045 50 0 HKAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(F)c(Cl)c4)cc23)c1 ZINC000020233290 525731274 /nfs/dbraw/zinc/73/12/74/525731274.db2.gz HLPKGYGRWICKKQ-UHFFFAOYSA-N 0 0 415.877 5.355 50 0 HKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cn(CC)nc1C ZINC000020233457 521592201 /nfs/dbraw/zinc/59/22/01/521592201.db2.gz POAXZQZDPNLEBB-SANMLTNESA-N 0 0 414.553 5.239 50 0 HKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cn(CC)nc1C ZINC000020233461 521580687 /nfs/dbraw/zinc/58/06/87/521580687.db2.gz POAXZQZDPNLEBB-AREMUKBSSA-N 0 0 414.553 5.239 50 0 HKAARN CSc1ccc([C@H]2N(Cc3ccc(C)cc3)CCN2Cc2ccccc2F)cc1 ZINC000020237038 568595741 /nfs/dbraw/zinc/59/57/41/568595741.db2.gz YSSJOWWZNWFADU-VWLOTQADSA-N 0 0 406.570 5.873 50 0 HKAARN CSc1ccc([C@H]2N(Cc3cccc(C)c3)CCN2Cc2ccccc2F)cc1 ZINC000020237041 568595738 /nfs/dbraw/zinc/59/57/38/568595738.db2.gz HGPVTUHZOHPBLX-VWLOTQADSA-N 0 0 406.570 5.873 50 0 HKAARN CSc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1 ZINC000020237053 568595710 /nfs/dbraw/zinc/59/57/10/568595710.db2.gz RFUKDCMFNIGPKN-VWLOTQADSA-N 0 0 406.570 5.873 50 0 HKAARN COc1ccc(OC)c([C@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)c1 ZINC000020237056 568595663 /nfs/dbraw/zinc/59/56/63/568595663.db2.gz NMLCULRMBNHAMY-SANMLTNESA-N 0 0 420.528 5.168 50 0 HKAARN COc1cccc([C@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)c1 ZINC000020237060 568595679 /nfs/dbraw/zinc/59/56/79/568595679.db2.gz OFDQZSOGACRMNV-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN COc1ccc([C@H]2N(Cc3ccc(C)cc3)CCCN2Cc2ccc(F)cc2)cc1 ZINC000020237063 568595744 /nfs/dbraw/zinc/59/57/44/568595744.db2.gz OOJULHSWMVLHJM-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2cccc(C)c2)CCCN1Cc1ccccc1Cl ZINC000020237069 524815878 /nfs/dbraw/zinc/81/58/78/524815878.db2.gz OQGPMCMLWJMIJL-SANMLTNESA-N 0 0 420.984 6.064 50 0 HKAARN COc1ccccc1[C@@H]1N(Cc2ccc(F)cc2)CCCN1Cc1cccc(C)c1 ZINC000020237075 568595585 /nfs/dbraw/zinc/59/55/85/568595585.db2.gz BNDCGQBZNIZQOD-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN CSc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCCN2Cc2cccc(C)c2)cc1 ZINC000020237078 568595731 /nfs/dbraw/zinc/59/57/31/568595731.db2.gz CRDJOUTZLWRMKT-AREMUKBSSA-N 0 0 420.597 6.263 50 0 HKAARN Fc1cccc([C@H]2N(Cc3ccccc3F)CCCN2Cc2ccccc2Cl)c1 ZINC000020237081 568595635 /nfs/dbraw/zinc/59/56/35/568595635.db2.gz WHNYHNKOBWFCDQ-XMMPIXPASA-N 0 0 412.911 6.025 50 0 HKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc21 ZINC000020237848 568595643 /nfs/dbraw/zinc/59/56/43/568595643.db2.gz KORQVBJAZVVXOJ-UHFFFAOYSA-N 0 0 419.403 5.712 50 0 HKAARN O=C(CSCc1ccccc1Br)Nc1ccccc1C(F)(F)F ZINC000020238214 560851330 /nfs/dbraw/zinc/85/13/30/560851330.db2.gz JTRIBHLZMVVXKF-UHFFFAOYSA-N 0 0 404.251 5.340 50 0 HKAARN O=C(CSCc1cccc(Br)c1)Nc1ccccc1C(F)(F)F ZINC000020238320 568595757 /nfs/dbraw/zinc/59/57/57/568595757.db2.gz NXFJXYASCVFIPP-UHFFFAOYSA-N 0 0 404.251 5.340 50 0 HKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000020241141 568595819 /nfs/dbraw/zinc/59/58/19/568595819.db2.gz NXQASNIRMYRUTQ-UHFFFAOYSA-N 0 0 421.349 5.506 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000020241184 526742850 /nfs/dbraw/zinc/74/28/50/526742850.db2.gz WZZYSOTTXQWGBB-UHFFFAOYSA-N 0 0 421.349 5.506 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020241190 568595880 /nfs/dbraw/zinc/59/58/80/568595880.db2.gz STLNSUFAGWQMNY-HBUWYVDXSA-N 0 0 406.979 5.478 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020241193 568595846 /nfs/dbraw/zinc/59/58/46/568595846.db2.gz STLNSUFAGWQMNY-PMUMKWKESA-N 0 0 406.979 5.478 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc4C3)c(C)o2)cc1 ZINC000020241203 568595952 /nfs/dbraw/zinc/59/59/52/568595952.db2.gz RXTMRRHDAGOPBT-UHFFFAOYSA-N 0 0 424.591 5.190 50 0 HKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000020241279 568595951 /nfs/dbraw/zinc/59/59/51/568595951.db2.gz JVHKLPAQUHMVGJ-UHFFFAOYSA-N 0 0 421.349 5.506 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000020248328 525438928 /nfs/dbraw/zinc/43/89/28/525438928.db2.gz TUEODDOQNIMKED-MHZLTWQESA-N 0 0 410.517 5.283 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000020248331 558351619 /nfs/dbraw/zinc/35/16/19/558351619.db2.gz TUEODDOQNIMKED-HHHXNRCGSA-N 0 0 410.517 5.283 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2Cl)cc1 ZINC000020248343 525439309 /nfs/dbraw/zinc/43/93/09/525439309.db2.gz BHWGEPHIBLAIRN-VWLOTQADSA-N 0 0 402.925 5.978 50 0 biogenic,in-vitro HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2Cl)cc1 ZINC000020248346 558351527 /nfs/dbraw/zinc/35/15/27/558351527.db2.gz BHWGEPHIBLAIRN-RUZDIDTESA-N 0 0 402.925 5.978 50 0 biogenic,in-vitro HKAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CCSc2ccccc2)cc1 ZINC000020249411 558351891 /nfs/dbraw/zinc/35/18/91/558351891.db2.gz XQILEBPOLCAELT-UHFFFAOYSA-N 0 0 406.507 5.068 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2cccc(Cl)c2)cc1 ZINC000020249468 524709581 /nfs/dbraw/zinc/70/95/81/524709581.db2.gz YSGUKGZLBVXWER-FQEVSTJZSA-N 0 0 409.848 5.739 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2cccc(Cl)c2)cc1 ZINC000020249471 558351833 /nfs/dbraw/zinc/35/18/33/558351833.db2.gz YSGUKGZLBVXWER-HXUWFJFHSA-N 0 0 409.848 5.739 50 0 HKAARN Cc1ccc(CNc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020265403 568596480 /nfs/dbraw/zinc/59/64/80/568596480.db2.gz CHFSDXMGQOYMGW-UHFFFAOYSA-N 0 0 420.509 5.436 50 0 HKAARN CCCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000020265833 558352481 /nfs/dbraw/zinc/35/24/81/558352481.db2.gz QZZJPBSNJUHQNE-CAPFRKAQSA-N 0 0 402.560 5.125 50 0 HKAARN Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000020267169 558352869 /nfs/dbraw/zinc/35/28/69/558352869.db2.gz PMACTQHJPZWVAM-UHFFFAOYSA-N 0 0 404.941 5.196 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000020274103 558353219 /nfs/dbraw/zinc/35/32/19/558353219.db2.gz RIPIYVYYJMSNBM-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C2(CCCCC2)OC1=O ZINC000020279330 568596738 /nfs/dbraw/zinc/59/67/38/568596738.db2.gz ZEAWZBJAVYJXKA-UHFFFAOYSA-N 0 0 423.896 5.086 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c12 ZINC000020283092 568596736 /nfs/dbraw/zinc/59/67/36/568596736.db2.gz PTNBGKLHLLKCLL-UHFFFAOYSA-N 0 0 424.548 5.132 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Br)cc3)c12 ZINC000020283100 558353642 /nfs/dbraw/zinc/35/36/42/558353642.db2.gz NHPZSVWVFLJQKD-UHFFFAOYSA-N 0 0 421.298 5.052 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000020283502 568596681 /nfs/dbraw/zinc/59/66/81/568596681.db2.gz XZHKJMZBQQHJSC-UHFFFAOYSA-N 0 0 404.901 5.560 50 0 HKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@H](C)c3ccccc3)c12 ZINC000020283571 568596694 /nfs/dbraw/zinc/59/66/94/568596694.db2.gz YICMZMSJPJHVSU-HNNXBMFYSA-N 0 0 418.928 5.224 50 0 HKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@@H](C)c3ccccc3)c12 ZINC000020283574 527564652 /nfs/dbraw/zinc/56/46/52/527564652.db2.gz YICMZMSJPJHVSU-OAHLLOKOSA-N 0 0 418.928 5.224 50 0 HKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000020283577 568596686 /nfs/dbraw/zinc/59/66/86/568596686.db2.gz ABEPOCYJRRYEBP-UHFFFAOYSA-N 0 0 408.933 5.311 50 0 HKAARN CCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020283776 568596695 /nfs/dbraw/zinc/59/66/95/568596695.db2.gz OJIQHMLGRPCWAK-UHFFFAOYSA-N 0 0 404.901 5.505 50 0 HKAARN CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020283784 521115118 /nfs/dbraw/zinc/11/51/18/521115118.db2.gz PDIFQKLEGQCBNN-UHFFFAOYSA-N 0 0 420.900 5.342 50 0 HKAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)c12 ZINC000020283787 568596682 /nfs/dbraw/zinc/59/66/82/568596682.db2.gz NDXJUCUTVFAVBS-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(C)cc1)c1cccs1 ZINC000020284127 568596904 /nfs/dbraw/zinc/59/69/04/568596904.db2.gz JZTRFOMNHZGNNJ-LJQANCHMSA-N 0 0 404.539 5.288 50 0 HKAARN CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(C)cc1)c1cccs1 ZINC000020284131 568597051 /nfs/dbraw/zinc/59/70/51/568597051.db2.gz JZTRFOMNHZGNNJ-IBGZPJMESA-N 0 0 404.539 5.288 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CCC[C@@H](c4ccccc4)C3)c12 ZINC000020284164 568596987 /nfs/dbraw/zinc/59/69/87/568596987.db2.gz NRIYOBMGTXSIBK-JOCHJYFZSA-N 0 0 424.548 5.366 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CCC[C@H](c4ccccc4)C3)c12 ZINC000020284168 568597079 /nfs/dbraw/zinc/59/70/79/568597079.db2.gz NRIYOBMGTXSIBK-QFIPXVFZSA-N 0 0 424.548 5.366 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CC[C@@H](c4ccc(C)cc4)C3)c12 ZINC000020284172 568596969 /nfs/dbraw/zinc/59/69/69/568596969.db2.gz VYVSGQHKDHCCKB-JOCHJYFZSA-N 0 0 424.548 5.284 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CC[C@H](c4ccc(C)cc4)C3)c12 ZINC000020284176 527522796 /nfs/dbraw/zinc/52/27/96/527522796.db2.gz VYVSGQHKDHCCKB-QFIPXVFZSA-N 0 0 424.548 5.284 50 0 HKAARN O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000020285511 568597060 /nfs/dbraw/zinc/59/70/60/568597060.db2.gz NYDIFKQSWYEXIO-FLFQWRMESA-N 0 0 413.857 5.291 50 0 HKAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)c1C ZINC000020285593 568597072 /nfs/dbraw/zinc/59/70/72/568597072.db2.gz JJNWPKNVCZYIBP-BZZOAKBMSA-N 0 0 423.921 5.768 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)cc1 ZINC000020285606 525631999 /nfs/dbraw/zinc/63/19/99/525631999.db2.gz BPRFOWDKMNCOJF-BZZOAKBMSA-N 0 0 423.921 5.768 50 0 HKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N1CCN(Cc2ccccc2)CC1 ZINC000020286100 568597006 /nfs/dbraw/zinc/59/70/06/568597006.db2.gz KGTZNQREYYWDNJ-UHFFFAOYSA-N 0 0 421.953 5.061 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286122 522516713 /nfs/dbraw/zinc/51/67/13/522516713.db2.gz YPONMFFHLMHEAG-UHFFFAOYSA-N 0 0 417.317 6.326 50 0 HKAARN COc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286144 524215048 /nfs/dbraw/zinc/21/50/48/524215048.db2.gz MURZPPXTPOVZKG-UHFFFAOYSA-N 0 0 417.317 6.042 50 0 HKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1ccc(OCC)cc1 ZINC000020286178 568596894 /nfs/dbraw/zinc/59/68/94/568596894.db2.gz CRKWGGQBVGTODP-UHFFFAOYSA-N 0 0 424.953 6.558 50 0 HKAARN O=C(c1cc2c(s1)c1ccccc1nc2Cl)N(Cc1ccco1)C1CCCCC1 ZINC000020286234 568596940 /nfs/dbraw/zinc/59/69/40/568596940.db2.gz ROIFPLXBZYKMFO-UHFFFAOYSA-N 0 0 424.953 6.671 50 0 HKAARN O=C(Nc1cc(-c2cccc(F)c2)no1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286252 568597075 /nfs/dbraw/zinc/59/70/75/568597075.db2.gz ZYQLHUJYTVNUBU-UHFFFAOYSA-N 0 0 423.856 6.149 50 0 HKAARN Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)sc3c2c1 ZINC000020286369 568597045 /nfs/dbraw/zinc/59/70/45/568597045.db2.gz TWTPPDIKFOVRBV-UHFFFAOYSA-N 0 0 417.408 5.612 50 0 HKAARN CN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1cccc(C(F)(F)F)c1 ZINC000020286819 523938834 /nfs/dbraw/zinc/93/88/34/523938834.db2.gz XLVWGMRORYGEOP-UHFFFAOYSA-N 0 0 418.846 6.062 50 0 HKAARN O=C(Nc1cc(-c2cccc(F)c2)no1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000020286855 527098801 /nfs/dbraw/zinc/09/88/01/527098801.db2.gz RPBRRYMTNXLZQV-UHFFFAOYSA-N 0 0 421.859 5.813 50 0 HKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1c(F)cccc1F ZINC000020294321 558354208 /nfs/dbraw/zinc/35/42/08/558354208.db2.gz QNFZWQGBYUWPAX-UHFFFAOYSA-N 0 0 410.251 5.386 50 0 HKAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020295479 558354484 /nfs/dbraw/zinc/35/44/84/558354484.db2.gz CIRVSMFDWGCVHD-UHFFFAOYSA-N 0 0 424.544 5.597 50 0 HKAARN Cc1c(C(=O)[O-])cccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)o1 ZINC000020295577 558354508 /nfs/dbraw/zinc/35/45/08/558354508.db2.gz SECJOVSIWPTAAH-UHFFFAOYSA-N 0 0 404.293 5.592 50 0 HKAARN CC(=O)Nc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020310063 558355082 /nfs/dbraw/zinc/35/50/82/558355082.db2.gz IGLAZVDBBWAKOU-NRFANRHFSA-N 0 0 418.884 5.550 50 0 HKAARN CC(=O)Nc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020310068 558355088 /nfs/dbraw/zinc/35/50/88/558355088.db2.gz IGLAZVDBBWAKOU-OAQYLSRUSA-N 0 0 418.884 5.550 50 0 HKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2Br)c1 ZINC000020311004 560883634 /nfs/dbraw/zinc/88/36/34/560883634.db2.gz NVBYNIWJSJPMTF-UHFFFAOYSA-N 0 0 412.081 5.058 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)cc1 ZINC000020319156 568598613 /nfs/dbraw/zinc/59/86/13/568598613.db2.gz YAAGTAUNIRHIDD-HXUWFJFHSA-N 0 0 424.298 5.014 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)cc1 ZINC000020319161 521040896 /nfs/dbraw/zinc/04/08/96/521040896.db2.gz YAAGTAUNIRHIDD-FQEVSTJZSA-N 0 0 424.298 5.014 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020319212 568598569 /nfs/dbraw/zinc/59/85/69/568598569.db2.gz LVXZWRVWLPSEGT-HXUWFJFHSA-N 0 0 414.292 5.558 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020319217 568598482 /nfs/dbraw/zinc/59/84/82/568598482.db2.gz LVXZWRVWLPSEGT-FQEVSTJZSA-N 0 0 414.292 5.558 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1Cc1cccs1 ZINC000020319772 568598508 /nfs/dbraw/zinc/59/85/08/568598508.db2.gz KVNQTAQIENKXCP-QGZVFWFLSA-N 0 0 423.847 5.582 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1Cc1cccs1 ZINC000020319777 568598515 /nfs/dbraw/zinc/59/85/15/568598515.db2.gz KVNQTAQIENKXCP-KRWDZBQOSA-N 0 0 423.847 5.582 50 0 HKAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)cc1 ZINC000020319880 568598770 /nfs/dbraw/zinc/59/87/70/568598770.db2.gz NSGNNQGHKIIPFQ-LJQANCHMSA-N 0 0 400.265 5.168 50 0 HKAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)cc1 ZINC000020319884 568598768 /nfs/dbraw/zinc/59/87/68/568598768.db2.gz NSGNNQGHKIIPFQ-IBGZPJMESA-N 0 0 400.265 5.168 50 0 HKAARN O=C1c2ccccc2[C@H](Nc2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1 ZINC000020320555 568598932 /nfs/dbraw/zinc/59/89/32/568598932.db2.gz ZZWQAKBIFKLJCA-LJQANCHMSA-N 0 0 402.803 6.130 50 0 HKAARN O=C1c2ccccc2[C@@H](Nc2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1 ZINC000020320560 568598778 /nfs/dbraw/zinc/59/87/78/568598778.db2.gz ZZWQAKBIFKLJCA-IBGZPJMESA-N 0 0 402.803 6.130 50 0 HKAARN COc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)cc1Cl ZINC000020321182 568598828 /nfs/dbraw/zinc/59/88/28/568598828.db2.gz PIMXSOSNSKUXHW-UHFFFAOYSA-N 0 0 417.317 6.326 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000020321186 524239632 /nfs/dbraw/zinc/23/96/32/524239632.db2.gz NQAHUIUCEQZSDR-UHFFFAOYSA-N 0 0 417.317 6.326 50 0 HKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3c2c1 ZINC000020321219 568598814 /nfs/dbraw/zinc/59/88/14/568598814.db2.gz ZGQPTCMVEBQQLQ-UHFFFAOYSA-N 0 0 421.953 5.374 50 0 HKAARN CCOc1ccc(N(CC)C(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)cc1 ZINC000020321361 521025545 /nfs/dbraw/zinc/02/55/45/521025545.db2.gz VGGOIEMMWWNNTN-UHFFFAOYSA-N 0 0 424.953 6.477 50 0 HKAARN Cc1ccc2nc(Cl)c3cc(C(=O)NCCc4c[nH]c5ccccc45)sc3c2c1 ZINC000020321525 568598927 /nfs/dbraw/zinc/59/89/27/568598927.db2.gz QTDQOOYVDZUQOL-UHFFFAOYSA-N 0 0 419.937 5.865 50 0 HKAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000020321568 526365147 /nfs/dbraw/zinc/36/51/47/526365147.db2.gz QXYNEJWZHONXSB-HHHXNRCGSA-N 0 0 420.516 5.411 50 0 HKAARN CCOc1ccccc1N(CC)C(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000020321576 568598800 /nfs/dbraw/zinc/59/88/00/568598800.db2.gz KQBICDFKCGXIMF-UHFFFAOYSA-N 0 0 424.953 6.477 50 0 HKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N(Cc4ccco4)C4CCCC4)sc3c2c1 ZINC000020321617 568598869 /nfs/dbraw/zinc/59/88/69/568598869.db2.gz IWSBEZKFMLMKHN-UHFFFAOYSA-N 0 0 424.953 6.589 50 0 HKAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)cc1 ZINC000020321628 568598846 /nfs/dbraw/zinc/59/88/46/568598846.db2.gz UDABJDWWHPECPZ-UHFFFAOYSA-N 0 0 424.953 5.783 50 0 HKAARN CC(=O)c1ccc(NC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000020321710 568598731 /nfs/dbraw/zinc/59/87/31/568598731.db2.gz FYFMZGFHAZRFGP-UHFFFAOYSA-N 0 0 424.953 5.700 50 0 HKAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000020324453 568599209 /nfs/dbraw/zinc/59/92/09/568599209.db2.gz LACBJPQLSOFAQC-UHFFFAOYSA-N 0 0 418.456 5.273 50 0 HKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC[C@@H](C2CCCCC2)C1 ZINC000020327156 526604237 /nfs/dbraw/zinc/60/42/37/526604237.db2.gz OWAJNMYIXNWXEZ-OAHLLOKOSA-N 0 0 406.885 5.089 50 0 HKAARN O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC[C@H](C2CCCCC2)C1 ZINC000020327164 526604999 /nfs/dbraw/zinc/60/49/99/526604999.db2.gz OWAJNMYIXNWXEZ-HNNXBMFYSA-N 0 0 406.885 5.089 50 0 HKAARN Cn1nc(C(=O)N(Cc2cccs2)C2CCCC2)c2c1-c1ccccc1SC2 ZINC000020329453 568599161 /nfs/dbraw/zinc/59/91/61/568599161.db2.gz FUGKTEHMAKYORY-UHFFFAOYSA-N 0 0 409.580 5.339 50 0 HKAARN Clc1ccc(-c2noc3ncnc(N4CCC(Cc5ccccc5)CC4)c32)cc1 ZINC000020329701 568599213 /nfs/dbraw/zinc/59/92/13/568599213.db2.gz NMBXXIQSGRGFKI-UHFFFAOYSA-N 0 0 404.901 5.397 50 0 HKAARN COc1cc(OC)c(Nc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc1Cl ZINC000020329826 568599164 /nfs/dbraw/zinc/59/91/64/568599164.db2.gz YZPOUVGRMIWPAG-UHFFFAOYSA-N 0 0 417.252 5.352 50 0 HKAARN COc1cc(Cl)c(C)cc1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329860 568599149 /nfs/dbraw/zinc/59/91/49/568599149.db2.gz WWCPOBXMLVKDJT-UHFFFAOYSA-N 0 0 401.253 5.652 50 0 HKAARN CCN(CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)c1ccccc1 ZINC000020329943 568599020 /nfs/dbraw/zinc/59/90/20/568599020.db2.gz NTFICOUUTNVJMM-UHFFFAOYSA-N 0 0 407.905 5.267 50 0 HKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1 ZINC000020332363 568599433 /nfs/dbraw/zinc/59/94/33/568599433.db2.gz SUQUALWJRTWNGW-UHFFFAOYSA-N 0 0 419.410 5.575 50 0 HKAARN C[C@@H]1CCCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)C1 ZINC000020332386 568599312 /nfs/dbraw/zinc/59/93/12/568599312.db2.gz AVFYYMACKJHXFV-CQSZACIVSA-N 0 0 411.431 5.200 50 0 HKAARN C[C@H]1CCCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)C1 ZINC000020332389 524106259 /nfs/dbraw/zinc/10/62/59/524106259.db2.gz AVFYYMACKJHXFV-AWEZNQCLSA-N 0 0 411.431 5.200 50 0 HKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 ZINC000020332394 568599342 /nfs/dbraw/zinc/59/93/42/568599342.db2.gz DUXRBNAEMWCEDA-UHFFFAOYSA-N 0 0 411.431 5.344 50 0 HKAARN CC1CCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc32)CC1 ZINC000020332415 568599457 /nfs/dbraw/zinc/59/94/57/568599457.db2.gz FLYDIQVAEJSICH-UHFFFAOYSA-N 0 0 411.431 5.200 50 0 HKAARN CCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347253 558356637 /nfs/dbraw/zinc/35/66/37/558356637.db2.gz XOEWHNVUZACYJY-UHFFFAOYSA-N 0 0 414.549 5.023 50 0 HKAARN Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1 ZINC000020352776 568599553 /nfs/dbraw/zinc/59/95/53/568599553.db2.gz FLZYYGUAKVRFPW-UHFFFAOYSA-N 0 0 406.791 6.107 50 0 HKAARN Cc1ccc2[nH]c(Sc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)nc2c1 ZINC000020353864 558357208 /nfs/dbraw/zinc/35/72/08/558357208.db2.gz SDJVFOHMTYRHKK-UHFFFAOYSA-N 0 0 417.921 6.184 50 0 HKAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1-c1ccccc1Cl ZINC000020354866 527471636 /nfs/dbraw/zinc/47/16/36/527471636.db2.gz DBJNPWCUSOWNKE-UHFFFAOYSA-N 0 0 418.905 5.069 50 0 HKAARN CCN1CCSc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc21 ZINC000020355119 568599701 /nfs/dbraw/zinc/59/97/01/568599701.db2.gz ZSRWOAKGMWUKEN-UHFFFAOYSA-N 0 0 400.853 5.543 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3NC2=O)c1 ZINC000020355275 568599642 /nfs/dbraw/zinc/59/96/42/568599642.db2.gz OZSQDBJGJVVGAT-WDZXMSNESA-N 0 0 420.578 5.635 50 0 HKAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3NC2=O)c1 ZINC000020355276 568599671 /nfs/dbraw/zinc/59/96/71/568599671.db2.gz OZSQDBJGJVVGAT-FXFDKFDGSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3NC2=O)cc1 ZINC000020355360 568599571 /nfs/dbraw/zinc/59/95/71/568599571.db2.gz PJDAYCJTRXPTLB-WDZXMSNESA-N 0 0 420.578 5.635 50 0 HKAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3NC2=O)cc1 ZINC000020355361 568600033 /nfs/dbraw/zinc/60/00/33/568600033.db2.gz PJDAYCJTRXPTLB-FXFDKFDGSA-N 0 0 420.578 5.635 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cccc(C)c2C)c1C ZINC000020356124 558357213 /nfs/dbraw/zinc/35/72/13/558357213.db2.gz IBYDMCXNBHOHBB-UHFFFAOYSA-N 0 0 418.537 5.594 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000020356133 558357183 /nfs/dbraw/zinc/35/71/83/558357183.db2.gz HXSZFONYBHNHQE-UHFFFAOYSA-N 0 0 418.537 5.594 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ccc(C)cc2)c1C ZINC000020356151 558357342 /nfs/dbraw/zinc/35/73/42/558357342.db2.gz ZBYHJGQAMYLGSK-UHFFFAOYSA-N 0 0 404.510 5.286 50 0 HKAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)sc3c2c1 ZINC000020356858 526096979 /nfs/dbraw/zinc/09/69/79/526096979.db2.gz LNJXJURXVYJYBV-UHFFFAOYSA-N 0 0 416.424 5.347 50 0 HKAARN Cc1cc/c(=N\C(=O)c2ccc3ccccc3c2)n(C(=O)c2ccc3ccccc3c2)c1 ZINC000020356911 558357297 /nfs/dbraw/zinc/35/72/97/558357297.db2.gz OAGIIYMWOZPGLK-PBBVDAKRSA-N 0 0 416.480 5.533 50 0 HKAARN COc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000020356932 558357383 /nfs/dbraw/zinc/35/73/83/558357383.db2.gz NIWDKEUXHTYSEA-UHFFFAOYSA-N 0 0 400.482 5.113 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(OC)cc2)CO1 ZINC000020357854 521260262 /nfs/dbraw/zinc/26/02/62/521260262.db2.gz QLHVSITYGADIMM-UHFFFAOYSA-N 0 0 413.901 5.150 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccc1Cl)CO3 ZINC000020358200 558357801 /nfs/dbraw/zinc/35/78/01/558357801.db2.gz ANKRLMZQWCJMEZ-UHFFFAOYSA-N 0 0 403.865 5.466 50 0 HKAARN CSc1nc2sc3c(c2c(SCCCc2ccccc2)n1)CCN(C)C3 ZINC000020358277 558357875 /nfs/dbraw/zinc/35/78/75/558357875.db2.gz MRZFTJGMXRKNEH-UHFFFAOYSA-N 0 0 401.626 5.126 50 0 HKAARN CSc1nc2sc3c(c2c(SCc2ccc(Cl)cc2)n1)CCN(C)C3 ZINC000020358293 558357936 /nfs/dbraw/zinc/35/79/36/558357936.db2.gz OHUCVUCZUWYQCU-UHFFFAOYSA-N 0 0 408.017 5.347 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(F)cc2)CO1 ZINC000020358915 558358199 /nfs/dbraw/zinc/35/81/99/558358199.db2.gz TYLQDEHRHSVNHK-UHFFFAOYSA-N 0 0 401.865 5.280 50 0 HKAARN Fc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000020363340 558358165 /nfs/dbraw/zinc/35/81/65/558358165.db2.gz BNZLDZWFYXJHJV-UHFFFAOYSA-N 0 0 423.532 5.069 50 0 HKAARN O=C(OC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000020365199 568601360 /nfs/dbraw/zinc/60/13/60/568601360.db2.gz DSPCCMMCEHJILM-UHFFFAOYSA-N 0 0 419.230 5.233 50 0 HKAARN FC(F)(F)c1cnc(NC[C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)c(Cl)c1 ZINC000020366087 527689415 /nfs/dbraw/zinc/68/94/15/527689415.db2.gz DKMQIEPVBABDPD-VIFPVBQESA-N 0 0 424.637 5.666 50 0 HKAARN FC(F)(F)c1cnc(NC[C@H]2CC(c3c(Cl)cccc3Cl)=NO2)c(Cl)c1 ZINC000020366090 527689559 /nfs/dbraw/zinc/68/95/59/527689559.db2.gz DKMQIEPVBABDPD-SECBINFHSA-N 0 0 424.637 5.666 50 0 HKAARN Fc1ccccc1N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn32)CC1 ZINC000020366179 568601296 /nfs/dbraw/zinc/60/12/96/568601296.db2.gz HDQMLQOSIBMXQV-UHFFFAOYSA-N 0 0 420.919 5.116 50 0 HKAARN Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020366677 558358568 /nfs/dbraw/zinc/35/85/68/558358568.db2.gz ICNHFISLXLPNRK-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020366679 526198824 /nfs/dbraw/zinc/19/88/24/526198824.db2.gz ICNHFISLXLPNRK-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020367788 558358857 /nfs/dbraw/zinc/35/88/57/558358857.db2.gz SQEPBTLMKSNXMU-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020367790 558358816 /nfs/dbraw/zinc/35/88/16/558358816.db2.gz SQEPBTLMKSNXMU-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc(C)c1-c1ccc(Cl)cc1 ZINC000020367793 521764820 /nfs/dbraw/zinc/76/48/20/521764820.db2.gz GDYYVFNYYHRQHU-UHFFFAOYSA-N 0 0 414.914 6.116 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1C(=O)[O-] ZINC000020379423 568602527 /nfs/dbraw/zinc/60/25/27/568602527.db2.gz UGBAEEMWWWVTLN-LYHRCORUSA-N 0 0 404.554 5.611 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1C(=O)[O-] ZINC000020379427 568602537 /nfs/dbraw/zinc/60/25/37/568602537.db2.gz UGBAEEMWWWVTLN-GEQKSPFYSA-N 0 0 404.554 5.611 50 0 HKAARN Cc1cccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c2C(=O)[O-])c1 ZINC000020379438 568602389 /nfs/dbraw/zinc/60/23/89/568602389.db2.gz IROLNCIXYYDIDP-DNVFCKCGSA-N 0 0 404.554 5.611 50 0 HKAARN Cc1cccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c2C(=O)[O-])c1 ZINC000020379442 568602514 /nfs/dbraw/zinc/60/25/14/568602514.db2.gz IROLNCIXYYDIDP-YCRNBWNJSA-N 0 0 404.554 5.611 50 0 HKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c2C(=O)[O-])cc1 ZINC000020379454 568602383 /nfs/dbraw/zinc/60/23/83/568602383.db2.gz BPOZBHDFRQVEKO-DNVFCKCGSA-N 0 0 404.554 5.611 50 0 HKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c2C(=O)[O-])cc1 ZINC000020379458 568602508 /nfs/dbraw/zinc/60/25/08/568602508.db2.gz BPOZBHDFRQVEKO-YCRNBWNJSA-N 0 0 404.554 5.611 50 0 HKAARN COc1cc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)cc(OC)c1OC ZINC000020380330 521903950 /nfs/dbraw/zinc/90/39/50/521903950.db2.gz HRGBTUFQJGJCQV-UHFFFAOYSA-N 0 0 416.886 5.182 50 0 HKAARN CC(C)c1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)cc1 ZINC000020380389 568602540 /nfs/dbraw/zinc/60/25/40/568602540.db2.gz MXVODSXBNYRZPO-UHFFFAOYSA-N 0 0 413.340 6.015 50 0 HKAARN CCOc1cccc2c1Oc1nc(-c3ccc(Br)cc3)[nH]c(=S)c1C2 ZINC000020380472 568602494 /nfs/dbraw/zinc/60/24/94/568602494.db2.gz AZXXJNAKODAKDH-UHFFFAOYSA-N 0 0 415.312 5.290 50 0 HKAARN COc1cc(Br)cc2c1Oc1nc(-c3ccc(C)cc3)[nH]c(=S)c1C2 ZINC000020380600 568602430 /nfs/dbraw/zinc/60/24/30/568602430.db2.gz AWNRGQYAOCOVSF-UHFFFAOYSA-N 0 0 415.312 5.208 50 0 HKAARN COc1cc(Br)cc2c1Oc1nc(-c3ccc(F)cc3)[nH]c(=S)c1C2 ZINC000020380612 568602554 /nfs/dbraw/zinc/60/25/54/568602554.db2.gz YXBGQKBHCUTPHR-UHFFFAOYSA-N 0 0 419.275 5.039 50 0 HKAARN COc1cc(Br)cc2c1Oc1nc(-c3ccccc3F)[nH]c(=S)c1C2 ZINC000020380620 568602543 /nfs/dbraw/zinc/60/25/43/568602543.db2.gz HWPUEMDIBBJJMZ-UHFFFAOYSA-N 0 0 419.275 5.039 50 0 HKAARN CCOc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C(C)(C)C)cc(O)c2O3)cc1 ZINC000020380624 568602472 /nfs/dbraw/zinc/60/24/72/568602472.db2.gz LSOULBHACXILMV-UHFFFAOYSA-N 0 0 408.523 5.904 50 0 HKAARN O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCCCCC1 ZINC000020381082 568602641 /nfs/dbraw/zinc/60/26/41/568602641.db2.gz UVPUVTQNOIPLJZ-UHFFFAOYSA-N 0 0 400.931 5.101 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCC2)cc1 ZINC000020381370 568602654 /nfs/dbraw/zinc/60/26/54/568602654.db2.gz MQJCCLISFZTILX-UHFFFAOYSA-N 0 0 400.931 5.020 50 0 HKAARN C[C@@H]1CCCCN1c1c2ccccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020381472 568602730 /nfs/dbraw/zinc/60/27/30/568602730.db2.gz ZEEIAZBLGRZFCB-OAHLLOKOSA-N 0 0 400.931 5.100 50 0 HKAARN C[C@H]1CCCCN1c1c2ccccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020381476 568602689 /nfs/dbraw/zinc/60/26/89/568602689.db2.gz ZEEIAZBLGRZFCB-HNNXBMFYSA-N 0 0 400.931 5.100 50 0 HKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N(CC)CC)c2c1 ZINC000020381524 524061055 /nfs/dbraw/zinc/06/10/55/524061055.db2.gz PWINZBBLHCFJBR-UHFFFAOYSA-N 0 0 402.947 5.130 50 0 HKAARN CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 ZINC000020382339 568602708 /nfs/dbraw/zinc/60/27/08/568602708.db2.gz QHCOBSYARGPQGG-UHFFFAOYSA-N 0 0 402.519 5.242 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 ZINC000020382343 568602636 /nfs/dbraw/zinc/60/26/36/568602636.db2.gz PYKGZWZYHPSLTH-UHFFFAOYSA-N 0 0 418.518 5.078 50 0 HKAARN O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 ZINC000020382346 527288602 /nfs/dbraw/zinc/28/86/02/527288602.db2.gz OQGRFQYEVXUDRG-UHFFFAOYSA-N 0 0 408.910 5.333 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccccc2)cc1 ZINC000020382354 525632477 /nfs/dbraw/zinc/63/24/77/525632477.db2.gz CKWAIQKGBUUKSP-UHFFFAOYSA-N 0 0 402.519 5.297 50 0 HKAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1 ZINC000020382358 568602642 /nfs/dbraw/zinc/60/26/42/568602642.db2.gz BCYKFYZIUFBOME-UHFFFAOYSA-N 0 0 416.546 5.551 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccccc2)cc1 ZINC000020382370 568602692 /nfs/dbraw/zinc/60/26/92/568602692.db2.gz GUQUEEJGOROKDT-UHFFFAOYSA-N 0 0 422.937 5.642 50 0 HKAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1NCc1ccccc1 ZINC000020382374 568602742 /nfs/dbraw/zinc/60/27/42/568602742.db2.gz MYYSFLPHASHPMX-UHFFFAOYSA-N 0 0 408.910 5.333 50 0 HKAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 ZINC000020382378 568602657 /nfs/dbraw/zinc/60/26/57/568602657.db2.gz ONEOMBRKBKNQDE-UHFFFAOYSA-N 0 0 422.937 5.642 50 0 HKAARN Cc1ccc(CNc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000020382402 568602584 /nfs/dbraw/zinc/60/25/84/568602584.db2.gz MSJSPWGKGMIDFI-UHFFFAOYSA-N 0 0 402.519 5.297 50 0 HKAARN Cc1ccc(CNc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000020382414 568602737 /nfs/dbraw/zinc/60/27/37/568602737.db2.gz OSOFBANCACZHHO-UHFFFAOYSA-N 0 0 422.937 5.642 50 0 HKAARN Cc1ccc(CNc2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020382418 568602662 /nfs/dbraw/zinc/60/26/62/568602662.db2.gz WNNZQWMNEUATAG-UHFFFAOYSA-N 0 0 416.546 5.605 50 0 HKAARN Cc1ccc(CNc2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020382438 524611271 /nfs/dbraw/zinc/61/12/71/524611271.db2.gz LPCTYAQGUGVNPQ-UHFFFAOYSA-N 0 0 422.937 5.642 50 0 HKAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 ZINC000020382466 568602600 /nfs/dbraw/zinc/60/26/00/568602600.db2.gz WMONCUJRQSVPPY-UHFFFAOYSA-N 0 0 406.482 5.127 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(F)cc2)cc1 ZINC000020382474 525633555 /nfs/dbraw/zinc/63/35/55/525633555.db2.gz YFCJJUJJAQGJOM-UHFFFAOYSA-N 0 0 406.482 5.127 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccc(F)cc2)cc1 ZINC000020382478 525632461 /nfs/dbraw/zinc/63/24/61/525632461.db2.gz UHNCRHNEXNAURJ-UHFFFAOYSA-N 0 0 420.509 5.436 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NC[C@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000020383813 568602800 /nfs/dbraw/zinc/60/28/00/568602800.db2.gz JODUAXNIKNJUPY-AZUAARDMSA-N 0 0 407.583 5.049 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NC[C@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000020383817 525701519 /nfs/dbraw/zinc/70/15/19/525701519.db2.gz JODUAXNIKNJUPY-ICSRJNTNSA-N 0 0 407.583 5.049 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccccc4)C3)nc2c(C)c1 ZINC000020383853 525700476 /nfs/dbraw/zinc/70/04/76/525700476.db2.gz ARTFONHTXFMVPA-TZIWHRDSSA-N 0 0 421.610 5.267 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccccc4)C3)nc2c(C)c1 ZINC000020383857 568602942 /nfs/dbraw/zinc/60/29/42/568602942.db2.gz ARTFONHTXFMVPA-CTNGQTDRSA-N 0 0 421.610 5.267 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385201 568603176 /nfs/dbraw/zinc/60/31/76/568603176.db2.gz SPXOOAWJZVKBFP-UHFFFAOYSA-N 0 0 424.909 5.626 50 0 HKAARN CSc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 ZINC000020385236 525985286 /nfs/dbraw/zinc/98/52/86/525985286.db2.gz HYILDUDMQYWQSA-UHFFFAOYSA-N 0 0 420.559 5.098 50 0 HKAARN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1NCc1ccc(Cl)cc1 ZINC000020385804 568603323 /nfs/dbraw/zinc/60/33/23/568603323.db2.gz FXYMAPBIMLBXLA-UHFFFAOYSA-N 0 0 408.807 5.696 50 0 HKAARN O=c1c2[nH]c3sc4c(c3c2[nH]c(=S)n1-c1ccc(F)c(Cl)c1)CCCC4 ZINC000020386116 568603347 /nfs/dbraw/zinc/60/33/47/568603347.db2.gz KZCORDCOYGDQPJ-UHFFFAOYSA-N 0 0 405.907 5.262 50 0 HKAARN Cc1sc(-n2cccc2)c([C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000020386505 568603386 /nfs/dbraw/zinc/60/33/86/568603386.db2.gz SMLHJIRTMMSODR-CYBMUJFWSA-N 0 0 407.461 6.057 50 0 HKAARN Cc1sc(-n2cccc2)c([C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000020386510 526865107 /nfs/dbraw/zinc/86/51/07/526865107.db2.gz SMLHJIRTMMSODR-ZDUSSCGKSA-N 0 0 407.461 6.057 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000020386864 568603533 /nfs/dbraw/zinc/60/35/33/568603533.db2.gz GKNMENLURJTNOX-VWLOTQADSA-N 0 0 424.972 5.136 50 0 HKAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000020386870 568603476 /nfs/dbraw/zinc/60/34/76/568603476.db2.gz GKNMENLURJTNOX-RUZDIDTESA-N 0 0 424.972 5.136 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000020386971 568603503 /nfs/dbraw/zinc/60/35/03/568603503.db2.gz DSXGBKLDAQUFFH-VWLOTQADSA-N 0 0 424.972 5.136 50 0 HKAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000020386976 568603594 /nfs/dbraw/zinc/60/35/94/568603594.db2.gz DSXGBKLDAQUFFH-RUZDIDTESA-N 0 0 424.972 5.136 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020386981 568603536 /nfs/dbraw/zinc/60/35/36/568603536.db2.gz QFXRPZAJWWFQHC-BCHFMIIMSA-N 0 0 404.554 5.044 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020386987 526090340 /nfs/dbraw/zinc/09/03/40/526090340.db2.gz QFXRPZAJWWFQHC-SIBVEZHUSA-N 0 0 404.554 5.044 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020386992 568603483 /nfs/dbraw/zinc/60/34/83/568603483.db2.gz QFXRPZAJWWFQHC-NIYFSFCBSA-N 0 0 404.554 5.044 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020386999 526091538 /nfs/dbraw/zinc/09/15/38/526091538.db2.gz QFXRPZAJWWFQHC-AFMDSPMNSA-N 0 0 404.554 5.044 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000020387090 568603501 /nfs/dbraw/zinc/60/35/01/568603501.db2.gz DOORGBHVKDFQIK-SANMLTNESA-N 0 0 422.544 5.012 50 0 HKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000020387097 568603580 /nfs/dbraw/zinc/60/35/80/568603580.db2.gz DOORGBHVKDFQIK-AREMUKBSSA-N 0 0 422.544 5.012 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1C1CCCCCC1 ZINC000020387186 568603477 /nfs/dbraw/zinc/60/34/77/568603477.db2.gz TWXYXVWAEWXRRI-SANMLTNESA-N 0 0 410.602 5.396 50 0 HKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1C1CCCCCC1 ZINC000020387192 568603496 /nfs/dbraw/zinc/60/34/96/568603496.db2.gz TWXYXVWAEWXRRI-AREMUKBSSA-N 0 0 410.602 5.396 50 0 HKAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020387209 568603572 /nfs/dbraw/zinc/60/35/72/568603572.db2.gz WDGJWUAHWGLCSH-MHZLTWQESA-N 0 0 418.581 5.181 50 0 HKAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020387215 568603520 /nfs/dbraw/zinc/60/35/20/568603520.db2.gz WDGJWUAHWGLCSH-HHHXNRCGSA-N 0 0 418.581 5.181 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387367 568603534 /nfs/dbraw/zinc/60/35/34/568603534.db2.gz OGCDVJFCSQSRQU-HRFSGMKKSA-N 0 0 418.581 5.434 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387374 568603545 /nfs/dbraw/zinc/60/35/45/568603545.db2.gz OGCDVJFCSQSRQU-DCFHFQCYSA-N 0 0 418.581 5.434 50 0 HKAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387379 526096576 /nfs/dbraw/zinc/09/65/76/526096576.db2.gz OGCDVJFCSQSRQU-NFQMXDRXSA-N 0 0 418.581 5.434 50 0 HKAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020387386 568603566 /nfs/dbraw/zinc/60/35/66/568603566.db2.gz OGCDVJFCSQSRQU-CCLHPLFOSA-N 0 0 418.581 5.434 50 0 HKAARN COc1ccc(CN2c3sc4c(c3C(c3ccccc3)=NCC2=O)CCCC4)cc1 ZINC000020387615 568603475 /nfs/dbraw/zinc/60/34/75/568603475.db2.gz OXKCAWZYLYLJIR-UHFFFAOYSA-N 0 0 416.546 5.020 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1cccc(C(F)(F)F)c1)c2-n1cccc1 ZINC000020388256 524349421 /nfs/dbraw/zinc/34/94/21/524349421.db2.gz NVZDKDQOLCYFOS-UHFFFAOYSA-N 0 0 415.440 5.975 50 0 HKAARN C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388426 568604022 /nfs/dbraw/zinc/60/40/22/568604022.db2.gz AWHYQLPXMIHKLX-BGUDKVOASA-N 0 0 420.336 5.695 50 0 HKAARN C[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388432 558359115 /nfs/dbraw/zinc/35/91/15/558359115.db2.gz AWHYQLPXMIHKLX-QVXRUGPVSA-N 0 0 420.336 5.695 50 0 HKAARN C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388438 568603874 /nfs/dbraw/zinc/60/38/74/568603874.db2.gz AWHYQLPXMIHKLX-NBQKENEESA-N 0 0 420.336 5.695 50 0 HKAARN C[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 ZINC000020388444 558359013 /nfs/dbraw/zinc/35/90/13/558359013.db2.gz AWHYQLPXMIHKLX-KGRLDLLASA-N 0 0 420.336 5.695 50 0 HKAARN Fc1ccc(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000020388928 568604013 /nfs/dbraw/zinc/60/40/13/568604013.db2.gz UDICWMTWAKKRFK-UHFFFAOYSA-N 0 0 417.431 5.930 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccccc2Cl)CO1 ZINC000020391236 558359074 /nfs/dbraw/zinc/35/90/74/558359074.db2.gz YPNGBMMWMFQDML-UHFFFAOYSA-N 0 0 418.320 5.795 50 0 HKAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccccc2Cl)CO1 ZINC000020391868 558359068 /nfs/dbraw/zinc/35/90/68/558359068.db2.gz IQHRUVPMKWDRFX-UHFFFAOYSA-N 0 0 404.293 5.404 50 0 HKAARN CSc1nc2sc3c(c2c(SCc2ccccc2Cl)n1)CCN(C)C3 ZINC000020392488 558359290 /nfs/dbraw/zinc/35/92/90/558359290.db2.gz WUCPPSQIFVOVEA-UHFFFAOYSA-N 0 0 408.017 5.347 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000020394072 558359348 /nfs/dbraw/zinc/35/93/48/558359348.db2.gz NTVDBKMLUGQJGY-OAQYLSRUSA-N 0 0 419.550 6.675 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000020394075 558359302 /nfs/dbraw/zinc/35/93/02/558359302.db2.gz NTVDBKMLUGQJGY-NRFANRHFSA-N 0 0 419.550 6.675 50 0 HKAARN Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1Cl ZINC000020395282 558359800 /nfs/dbraw/zinc/35/98/00/558359800.db2.gz URVYDVNDMQNSIT-UUYOSTAYSA-N 0 0 421.855 5.711 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 ZINC000020397499 568604229 /nfs/dbraw/zinc/60/42/29/568604229.db2.gz RYTDEBZWFRLLPA-UHFFFAOYSA-N 0 0 420.578 5.054 50 0 HKAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(Cl)cc2)CO1 ZINC000020403844 558359953 /nfs/dbraw/zinc/35/99/53/558359953.db2.gz XVJLAYJXYMBVMV-UHFFFAOYSA-N 0 0 404.293 5.057 50 0 HKAARN O=c1oc2c(cc(Cl)c3c2CN(Cc2ccccc2Cl)CO3)c2c1CCCC2 ZINC000020403875 558359871 /nfs/dbraw/zinc/35/98/71/558359871.db2.gz BORZHTLOADNAEX-UHFFFAOYSA-N 0 0 416.304 5.331 50 0 HKAARN FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1 ZINC000020405243 527684736 /nfs/dbraw/zinc/68/47/36/527684736.db2.gz UUJNRWSKYQGRSS-UHFFFAOYSA-N 0 0 403.791 6.174 50 0 HKAARN CCCCCC1CCC(c2ccc(NC(=O)NCCCN3CCOCC3)cc2)CC1 ZINC000020405432 568604709 /nfs/dbraw/zinc/60/47/09/568604709.db2.gz AFLAAVANZVGQAM-UHFFFAOYSA-N 0 0 415.622 5.385 50 0 HKAARN FC(F)(F)c1cnc(N2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c(Cl)c1 ZINC000020405663 568604823 /nfs/dbraw/zinc/60/48/23/568604823.db2.gz NDOMYIFOQFTFCS-UHFFFAOYSA-N 0 0 412.868 5.589 50 0 HKAARN FC(F)(F)c1ccc2c(c1)ncn2CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020405677 568604762 /nfs/dbraw/zinc/60/47/62/568604762.db2.gz REVHJEITDGJHRD-UHFFFAOYSA-N 0 0 408.733 5.234 50 0 HKAARN FC(F)(F)c1cccnc1NCCNc1ncnc2scc(-c3ccccc3)c21 ZINC000020406037 558360230 /nfs/dbraw/zinc/36/02/30/558360230.db2.gz VVZRDEFZELZDQY-UHFFFAOYSA-N 0 0 415.444 5.296 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)sc2c1 ZINC000020407784 558360346 /nfs/dbraw/zinc/36/03/46/558360346.db2.gz GPZLHHVPZZMWEF-VMPITWQZSA-N 0 0 410.970 5.334 50 0 HKAARN Cc1cccc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020407975 558360657 /nfs/dbraw/zinc/36/06/57/558360657.db2.gz AVXPVQVHIBRBSY-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1cccc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020407977 524206555 /nfs/dbraw/zinc/20/65/55/524206555.db2.gz AVXPVQVHIBRBSY-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000020408288 558360717 /nfs/dbraw/zinc/36/07/17/558360717.db2.gz RXRWJNLAPJUHQC-UHFFFAOYSA-N 0 0 416.506 5.981 50 0 HKAARN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 ZINC000020408376 558360711 /nfs/dbraw/zinc/36/07/11/558360711.db2.gz FIVSKMMGHALJHM-UHFFFAOYSA-N 0 0 418.537 5.167 50 0 HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccc(Cl)cc1)CO3 ZINC000020412288 558360901 /nfs/dbraw/zinc/36/09/01/558360901.db2.gz BKPHPUZHEHCIDD-UHFFFAOYSA-N 0 0 417.892 5.508 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2cccc(OC)c2)CO1 ZINC000020412290 558360937 /nfs/dbraw/zinc/36/09/37/558360937.db2.gz RCBNVFVNFPGEHF-UHFFFAOYSA-N 0 0 413.901 5.150 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccccc2OC)CO1 ZINC000020412294 558360888 /nfs/dbraw/zinc/36/08/88/558360888.db2.gz UKCXRUBDZWDQBR-UHFFFAOYSA-N 0 0 413.901 5.150 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccccc2F)CO1 ZINC000020412296 558360914 /nfs/dbraw/zinc/36/09/14/558360914.db2.gz XADJUYUIXFZULE-UHFFFAOYSA-N 0 0 415.892 5.323 50 0 HKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(F)cc2)CO1 ZINC000020412298 558360951 /nfs/dbraw/zinc/36/09/51/558360951.db2.gz PSRXZFQVDFSACU-UHFFFAOYSA-N 0 0 415.892 5.323 50 0 HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccc(F)cc1)CO2 ZINC000020412315 558360940 /nfs/dbraw/zinc/36/09/40/558360940.db2.gz BLKQRMKVRNXNAR-UHFFFAOYSA-N 0 0 415.464 5.302 50 0 biogenic HKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1ccc(Cl)cc1)CO2 ZINC000020412330 558360847 /nfs/dbraw/zinc/36/08/47/558360847.db2.gz NQFQZCYTMFRJCQ-UHFFFAOYSA-N 0 0 409.913 5.028 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN([C@@H](C)c3ccccc3)CO2)cc1 ZINC000020412572 523088950 /nfs/dbraw/zinc/08/89/50/523088950.db2.gz VWERTOHTHJYPOQ-KRWDZBQOSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN([C@H](C)c3ccccc3)CO2)cc1 ZINC000020412574 523090225 /nfs/dbraw/zinc/09/02/25/523090225.db2.gz VWERTOHTHJYPOQ-QGZVFWFLSA-N 0 0 413.473 5.382 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413360 568605788 /nfs/dbraw/zinc/60/57/88/568605788.db2.gz VEYQQFRFDDHZFK-JFIYKMOQSA-N 0 0 411.542 5.378 50 0 biogenic HKAARN O=C1CN=C(c2ccccc2)c2c3c(sc2N1Cc1ccc(Cl)cc1)CCCC3 ZINC000020413377 568605733 /nfs/dbraw/zinc/60/57/33/568605733.db2.gz VLKNOEVCTODNIE-UHFFFAOYSA-N 0 0 420.965 5.665 50 0 HKAARN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCc3cccs3)cc2)c2ccccc2S1 ZINC000020414138 568605760 /nfs/dbraw/zinc/60/57/60/568605760.db2.gz ISTQHDAIBPYWPR-HNNXBMFYSA-N 0 0 423.563 5.211 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000020414423 558361047 /nfs/dbraw/zinc/36/10/47/558361047.db2.gz IDBSTXMFMBVIMF-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000020414424 558361154 /nfs/dbraw/zinc/36/11/54/558361154.db2.gz NVLFILHZDWZZDW-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000020414428 558361114 /nfs/dbraw/zinc/36/11/14/558361114.db2.gz UPKBUMXXVGBQEV-UHFFFAOYSA-N 0 0 402.519 6.313 50 0 HKAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1cccc(C(F)(F)F)c1 ZINC000020414572 568605732 /nfs/dbraw/zinc/60/57/32/568605732.db2.gz NQELEQZHKISDSG-UHFFFAOYSA-N 0 0 419.493 6.706 50 0 HKAARN CN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1cccc(C(F)(F)F)c1 ZINC000020414573 568605774 /nfs/dbraw/zinc/60/57/74/568605774.db2.gz KJYHSCQDOLWICB-UHFFFAOYSA-N 0 0 405.466 6.316 50 0 HKAARN Cc1ccccc1Cn1c2cnccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000020415437 568605933 /nfs/dbraw/zinc/60/59/33/568605933.db2.gz UHBOGKLXVGVSFK-UHFFFAOYSA-N 0 0 413.468 6.099 50 0 HKAARN Cc1ccc(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000020415439 524770360 /nfs/dbraw/zinc/77/03/60/524770360.db2.gz DQJLARHHOMKXFM-UHFFFAOYSA-N 0 0 413.468 6.099 50 0 HKAARN Fc1ccccc1Cn1c2cnccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000020415443 568605947 /nfs/dbraw/zinc/60/59/47/568605947.db2.gz JKHYGQKCGLOLSC-UHFFFAOYSA-N 0 0 417.431 5.930 50 0 HKAARN Cc1cccc(Cn2c3cnccc3nc2SCc2cccc(C(F)(F)F)c2)c1 ZINC000020415449 568605981 /nfs/dbraw/zinc/60/59/81/568605981.db2.gz RKLVUSCDVDQIRH-UHFFFAOYSA-N 0 0 413.468 6.099 50 0 HKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000020415566 568605952 /nfs/dbraw/zinc/60/59/52/568605952.db2.gz GHBLUDZJRXBMEL-UHFFFAOYSA-N 0 0 410.945 5.146 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000020415606 568605960 /nfs/dbraw/zinc/60/59/60/568605960.db2.gz DYWRLSAZIHBZGT-IBGZPJMESA-N 0 0 404.554 5.271 50 0 HKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000020415608 568605937 /nfs/dbraw/zinc/60/59/37/568605937.db2.gz DYWRLSAZIHBZGT-LJQANCHMSA-N 0 0 404.554 5.271 50 0 HKAARN Cc1c(C[NH2+]CCc2cccs2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000020415640 568605932 /nfs/dbraw/zinc/60/59/32/568605932.db2.gz BBLHLLPAVZJCFC-UHFFFAOYSA-N 0 0 420.937 5.038 50 0 HKAARN Cc1c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000020415650 568605961 /nfs/dbraw/zinc/60/59/61/568605961.db2.gz SEZKUHBMVUESJC-VTJXTGGHSA-N 0 0 402.966 5.419 50 0 HKAARN Cc1c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000020415652 568605908 /nfs/dbraw/zinc/60/59/08/568605908.db2.gz SEZKUHBMVUESJC-PDSXEYIOSA-N 0 0 402.966 5.419 50 0 HKAARN Cc1c(C[NH2+]C2CCCCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000020415686 568605920 /nfs/dbraw/zinc/60/59/20/568605920.db2.gz IVTUAKRTNPNPIP-UHFFFAOYSA-N 0 0 402.966 5.707 50 0 HKAARN Cc1c(C(=O)N2CCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417915 525573523 /nfs/dbraw/zinc/57/35/23/525573523.db2.gz MMIMHYGPVYDVOZ-XMMPIXPASA-N 0 0 423.896 5.511 50 0 HKAARN Cc1c(C(=O)N2CCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417917 525572545 /nfs/dbraw/zinc/57/25/45/525572545.db2.gz MMIMHYGPVYDVOZ-DEOSSOPVSA-N 0 0 423.896 5.511 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C ZINC000020418289 558361422 /nfs/dbraw/zinc/36/14/22/558361422.db2.gz VADBYCZNLXLHCQ-UHFFFAOYSA-N 0 0 400.478 5.989 50 0 HKAARN Cc1cccc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc(-c3ccccc3)nc12 ZINC000020418350 524928016 /nfs/dbraw/zinc/92/80/16/524928016.db2.gz KYIQTFKLXKGCBI-UHFFFAOYSA-N 0 0 421.544 5.168 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418395 558361427 /nfs/dbraw/zinc/36/14/27/558361427.db2.gz GVXQCAUZGUMWGA-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418396 558361360 /nfs/dbraw/zinc/36/13/60/558361360.db2.gz GVXQCAUZGUMWGA-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1C(=O)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020418397 558361364 /nfs/dbraw/zinc/36/13/64/558361364.db2.gz YORBLZOBLZYTSX-FQEVSTJZSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020418398 525059876 /nfs/dbraw/zinc/05/98/76/525059876.db2.gz YORBLZOBLZYTSX-HXUWFJFHSA-N 0 0 403.869 5.218 50 0 HKAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cn1 ZINC000020418685 558361593 /nfs/dbraw/zinc/36/15/93/558361593.db2.gz HDRFWNPQVAHZMJ-UHFFFAOYSA-N 0 0 419.488 5.102 50 0 HKAARN Cc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418847 558361614 /nfs/dbraw/zinc/36/16/14/558361614.db2.gz DWSFMLYFOOVCCD-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418849 558361635 /nfs/dbraw/zinc/36/16/35/558361635.db2.gz DWSFMLYFOOVCCD-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020418851 558361630 /nfs/dbraw/zinc/36/16/30/558361630.db2.gz SUWYEUYOVLZZGO-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020418853 558361622 /nfs/dbraw/zinc/36/16/22/558361622.db2.gz SUWYEUYOVLZZGO-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000020418884 568606572 /nfs/dbraw/zinc/60/65/72/568606572.db2.gz QXAPASDEDZQJSA-UHFFFAOYSA-N 0 0 420.412 5.865 50 0 HKAARN Cc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000020419111 558361878 /nfs/dbraw/zinc/36/18/78/558361878.db2.gz HFQJHFRUPFLDEM-UHFFFAOYSA-N 0 0 421.544 5.168 50 0 HKAARN Cc1cccc(Cl)c1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421513 558362036 /nfs/dbraw/zinc/36/20/36/558362036.db2.gz KAJLLRSYYIYNHV-UHFFFAOYSA-N 0 0 419.956 5.588 50 0 HKAARN O=C(c1cc2ccccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421580 558361886 /nfs/dbraw/zinc/36/18/86/558361886.db2.gz JKRXUZDQJHZIFI-UHFFFAOYSA-N 0 0 412.558 5.449 50 0 HKAARN O=C(Nc1cc2ccccc2s1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020421627 558362166 /nfs/dbraw/zinc/36/21/66/558362166.db2.gz BPEPKMJSLJPOFO-UHFFFAOYSA-N 0 0 403.910 5.044 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)N2CCCN(c3c(Cl)cncc3Cl)CC2)cc1 ZINC000020421657 558362138 /nfs/dbraw/zinc/36/21/38/558362138.db2.gz FGMLANGIVZCLCL-UHFFFAOYSA-N 0 0 421.372 5.430 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020426436 558362097 /nfs/dbraw/zinc/36/20/97/558362097.db2.gz JYVCENWZKUDKCM-UHFFFAOYSA-N 0 0 423.560 5.034 50 0 HKAARN COc1ccc2cc(-c3ccc(C(=O)Nc4ccc5[nH]ccc5c4)cc3)c(=O)oc2c1 ZINC000020426674 558362581 /nfs/dbraw/zinc/36/25/81/558362581.db2.gz OZKSTOZAEJXPSL-UHFFFAOYSA-N 0 0 410.429 5.202 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)NC4CCCCCCC4)c(C)c3cc2c1C ZINC000020427051 558362587 /nfs/dbraw/zinc/36/25/87/558362587.db2.gz JLGOQMQNMPLLSP-UHFFFAOYSA-N 0 0 409.526 5.626 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NC3CCCCCCC3)c(=O)oc1c2C ZINC000020427625 558362389 /nfs/dbraw/zinc/36/23/89/558362389.db2.gz ULJMIIXNSOQSIT-UHFFFAOYSA-N 0 0 409.526 5.626 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(=O)oc1c2C ZINC000020427644 558362552 /nfs/dbraw/zinc/36/25/52/558362552.db2.gz BJEZLQXRXZTCAX-QGZVFWFLSA-N 0 0 403.478 5.274 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)oc1c2C ZINC000020427648 526292266 /nfs/dbraw/zinc/29/22/66/526292266.db2.gz BJEZLQXRXZTCAX-KRWDZBQOSA-N 0 0 403.478 5.274 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCC3=CCCCC3)c(=O)oc1c2C ZINC000020427655 558362573 /nfs/dbraw/zinc/36/25/73/558362573.db2.gz BYVXDDZLLHHCCT-UHFFFAOYSA-N 0 0 407.510 5.404 50 0 HKAARN O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1Sc1nc2ccccc2s1 ZINC000020427844 558362425 /nfs/dbraw/zinc/36/24/25/558362425.db2.gz MJDAYFMZOCFVMV-UHFFFAOYSA-N 0 0 420.946 6.609 50 0 HKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000020428708 558362665 /nfs/dbraw/zinc/36/26/65/558362665.db2.gz RRVTZEVQNVMEPW-UHFFFAOYSA-N 0 0 406.501 5.623 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020428950 558362659 /nfs/dbraw/zinc/36/26/59/558362659.db2.gz AWLYHEQMSZETQA-UHFFFAOYSA-N 0 0 416.711 5.136 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432050 558362682 /nfs/dbraw/zinc/36/26/82/558362682.db2.gz WQVCTQFONPCJLZ-UHFFFAOYSA-N 0 0 403.913 5.260 50 0 HKAARN Cc1ccc(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl ZINC000020432054 525132907 /nfs/dbraw/zinc/13/29/07/525132907.db2.gz JHCPZRKRIPMOHL-UHFFFAOYSA-N 0 0 417.940 5.568 50 0 HKAARN Cc1ccc(F)cc1NC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432063 558362674 /nfs/dbraw/zinc/36/26/74/558362674.db2.gz KCWLGUGXYKTCOT-UHFFFAOYSA-N 0 0 401.485 5.054 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020432105 558362704 /nfs/dbraw/zinc/36/27/04/558362704.db2.gz DZFAKSFADQHZNC-UHFFFAOYSA-N 0 0 420.479 5.142 50 0 HKAARN CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c21)CCN(C)C3 ZINC000020432228 558362696 /nfs/dbraw/zinc/36/26/96/558362696.db2.gz DRFKXKZJRZEGFR-UHFFFAOYSA-N 0 0 404.992 5.057 50 0 HKAARN S=c1sc2ccccc2n1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020432522 568606994 /nfs/dbraw/zinc/60/69/94/568606994.db2.gz NWUNJDVRVWNCRH-UHFFFAOYSA-N 0 0 410.395 5.519 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020435765 558362888 /nfs/dbraw/zinc/36/28/88/558362888.db2.gz MDFIHDSFWNMJDG-UHFFFAOYSA-N 0 0 416.711 5.136 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020435846 558362932 /nfs/dbraw/zinc/36/29/32/558362932.db2.gz GVUDBFZTNRMHDQ-UHFFFAOYSA-N 0 0 416.711 5.136 50 0 HKAARN O=C(Nc1ccc(F)cc1F)Nc1ccc(Br)cc1Br ZINC000020436038 558363038 /nfs/dbraw/zinc/36/30/38/558363038.db2.gz LJAPKGDVGLTMEJ-UHFFFAOYSA-N 0 0 406.024 5.134 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020436119 558362978 /nfs/dbraw/zinc/36/29/78/558362978.db2.gz IHXILBXSVWOOTI-UHFFFAOYSA-N 0 0 402.684 5.140 50 0 HKAARN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCCc2ccccc21 ZINC000020436251 558362948 /nfs/dbraw/zinc/36/29/48/558362948.db2.gz ODDFFOUQZQXPSI-UHFFFAOYSA-N 0 0 401.550 5.513 50 0 HKAARN c1ccc(C2(c3ccccc3)O[C@H](c3ccc4cccnc4c3)Nc3ccccc32)cc1 ZINC000020436273 558363043 /nfs/dbraw/zinc/36/30/43/558363043.db2.gz VMWLKKSBRKQVIP-MUUNZHRXSA-N 0 0 414.508 6.668 50 0 HKAARN c1ccc(C2(c3ccccc3)O[C@@H](c3ccc4cccnc4c3)Nc3ccccc32)cc1 ZINC000020436278 558362877 /nfs/dbraw/zinc/36/28/77/558362877.db2.gz VMWLKKSBRKQVIP-NDEPHWFRSA-N 0 0 414.508 6.668 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 ZINC000020436328 558362993 /nfs/dbraw/zinc/36/29/93/558362993.db2.gz ITQMXGXCUAJCPH-LJQANCHMSA-N 0 0 417.524 6.192 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 ZINC000020436333 558363036 /nfs/dbraw/zinc/36/30/36/558363036.db2.gz ITQMXGXCUAJCPH-IBGZPJMESA-N 0 0 417.524 6.192 50 0 HKAARN COc1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cc1Cl ZINC000020436343 524629823 /nfs/dbraw/zinc/62/98/23/524629823.db2.gz CWPALFNXQFYOOG-UHFFFAOYSA-N 0 0 422.358 6.589 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436361 568607244 /nfs/dbraw/zinc/60/72/44/568607244.db2.gz MUQAPSTXNBPRKY-UHFFFAOYSA-N 0 0 415.923 5.713 50 0 HKAARN COC(=O)c1sccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436419 568607195 /nfs/dbraw/zinc/60/71/95/568607195.db2.gz BCWHUNOYLWCJAV-UHFFFAOYSA-N 0 0 421.952 5.775 50 0 HKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020437439 524932293 /nfs/dbraw/zinc/93/22/93/524932293.db2.gz LACINVFFWSDDPM-HXUWFJFHSA-N 0 0 408.299 5.232 50 0 HKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020437443 568607108 /nfs/dbraw/zinc/60/71/08/568607108.db2.gz LACINVFFWSDDPM-FQEVSTJZSA-N 0 0 408.299 5.232 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020438069 527110840 /nfs/dbraw/zinc/11/08/40/527110840.db2.gz SFMCUFVNWQXIDG-UHFFFAOYSA-N 0 0 418.246 5.366 50 0 HKAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1 ZINC000020438757 568607384 /nfs/dbraw/zinc/60/73/84/568607384.db2.gz GQXVNFQZBPZHEE-NKFKGCMQSA-N 0 0 417.553 5.081 50 0 HKAARN COc1cc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000020439707 521906498 /nfs/dbraw/zinc/90/64/98/521906498.db2.gz OTQXISMROBUQCM-UHFFFAOYSA-N 0 0 408.885 5.431 50 0 HKAARN Cc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn32)cc1C ZINC000020442002 558363798 /nfs/dbraw/zinc/36/37/98/558363798.db2.gz GYFYILRORFFHLK-UHFFFAOYSA-N 0 0 423.541 6.160 50 0 HKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CCCCC3)cc2c1 ZINC000020442521 568607712 /nfs/dbraw/zinc/60/77/12/568607712.db2.gz XNPIAIPVJNVDQU-UHFFFAOYSA-N 0 0 408.929 5.465 50 0 HKAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000020442553 558363782 /nfs/dbraw/zinc/36/37/82/558363782.db2.gz JBQMZMQYYCMZNK-UHFFFAOYSA-N 0 0 408.933 5.090 50 0 HKAARN CC(C)c1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020442748 568607714 /nfs/dbraw/zinc/60/77/14/568607714.db2.gz YUYLFAATNCBYJG-UHFFFAOYSA-N 0 0 413.565 5.749 50 0 HKAARN COc1ccc([C@@H]2SCCNc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000020442963 525270801 /nfs/dbraw/zinc/27/08/01/525270801.db2.gz XFVTVTUJEKPQAA-DEOSSOPVSA-N 0 0 413.546 5.796 50 0 HKAARN COc1ccc([C@H]2SCCNc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000020442968 568607729 /nfs/dbraw/zinc/60/77/29/568607729.db2.gz XFVTVTUJEKPQAA-XMMPIXPASA-N 0 0 413.546 5.796 50 0 HKAARN CN(CCOC(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)nc2ccccc21 ZINC000020443510 558363682 /nfs/dbraw/zinc/36/36/82/558363682.db2.gz KIRJMCONVAMHCA-UHFFFAOYSA-N 0 0 408.807 5.200 50 0 HKAARN CC(=O)OC1CCN(c2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c32)CC1 ZINC000020443926 558363689 /nfs/dbraw/zinc/36/36/89/558363689.db2.gz ZBGCROMKNRDLEK-UHFFFAOYSA-N 0 0 407.219 5.092 50 0 HKAARN O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000020444271 568608122 /nfs/dbraw/zinc/60/81/22/568608122.db2.gz DVEPJKIWXDUOEP-UHFFFAOYSA-N 0 0 406.873 5.077 50 0 HKAARN O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccc(C(F)(F)F)c1 ZINC000020445564 526463290 /nfs/dbraw/zinc/46/32/90/526463290.db2.gz LWYMJMFSFPALGN-UHFFFAOYSA-N 0 0 409.795 5.370 50 0 HKAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1C(F)(F)F ZINC000020445583 568608341 /nfs/dbraw/zinc/60/83/41/568608341.db2.gz QGRQMTZUOQWBLP-UHFFFAOYSA-N 0 0 409.795 5.370 50 0 HKAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000020445587 526463049 /nfs/dbraw/zinc/46/30/49/526463049.db2.gz AYKVIVYJZFRVSB-UHFFFAOYSA-N 0 0 409.795 5.370 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccccc1)N(Cc1ccco1)C3=O ZINC000020446512 522920341 /nfs/dbraw/zinc/92/03/41/522920341.db2.gz NXPUWSVOFNODRJ-NRFANRHFSA-N 0 0 419.506 5.111 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccccc1)N(Cc1ccco1)C3=O ZINC000020446516 568608502 /nfs/dbraw/zinc/60/85/02/568608502.db2.gz NXPUWSVOFNODRJ-OAQYLSRUSA-N 0 0 419.506 5.111 50 0 HKAARN COc1cc2c(cc1Nc1nn(-c3ccc(F)cc3)nc1C(C)=O)oc1ccccc12 ZINC000020446750 568608512 /nfs/dbraw/zinc/60/85/12/568608512.db2.gz YOJXBXNTKDZCFU-UHFFFAOYSA-N 0 0 416.412 5.261 50 0 HKAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc(C(C)(C)C)cc1 ZINC000020446799 518495790 /nfs/dbraw/zinc/49/57/90/518495790.db2.gz YRWCRMDEWWXQSZ-UHFFFAOYSA-N 0 0 418.419 5.410 50 0 HKAARN CCCc1ccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)cc1 ZINC000020446805 521402864 /nfs/dbraw/zinc/40/28/64/521402864.db2.gz NTRASIHJEWEPQQ-UHFFFAOYSA-N 0 0 404.392 5.065 50 0 HKAARN Cc1cccc2c1nc(SCC(=O)Nc1ccc(F)cc1)nc2-c1ccc(F)cc1 ZINC000020446925 568608493 /nfs/dbraw/zinc/60/84/93/568608493.db2.gz LWPWEBVHHADOCQ-UHFFFAOYSA-N 0 0 421.472 5.614 50 0 HKAARN O=C(CSc1nc2ccccc2c(-c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000020446933 527060958 /nfs/dbraw/zinc/06/09/58/527060958.db2.gz REVMTKIIWHSVMO-UHFFFAOYSA-N 0 0 423.900 5.820 50 0 HKAARN CCCCC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447097 568608549 /nfs/dbraw/zinc/60/85/49/568608549.db2.gz YBBUYAZPURHBMG-ZEQRLZLVSA-N 0 0 419.968 5.363 50 0 HKAARN CCCCC[C@@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447100 568608522 /nfs/dbraw/zinc/60/85/22/568608522.db2.gz YBBUYAZPURHBMG-BJKOFHAPSA-N 0 0 419.968 5.363 50 0 HKAARN CCCCC[C@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447103 568608544 /nfs/dbraw/zinc/60/85/44/568608544.db2.gz YBBUYAZPURHBMG-RPWUZVMVSA-N 0 0 419.968 5.363 50 0 HKAARN CCCCC[C@@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447106 568608533 /nfs/dbraw/zinc/60/85/33/568608533.db2.gz YBBUYAZPURHBMG-DNQXCXABSA-N 0 0 419.968 5.363 50 0 HKAARN COc1ccc2c(c1)N=C(c1ccc(C(F)(F)F)cc1)NC(c1ccc(F)cc1)=N2 ZINC000020447179 568608488 /nfs/dbraw/zinc/60/84/88/568608488.db2.gz UWOLXZZWSCNBIQ-UHFFFAOYSA-N 0 0 413.374 5.804 50 0 HKAARN COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3N=C(c3ccccc3)N2)cc1 ZINC000020447182 568608428 /nfs/dbraw/zinc/60/84/28/568608428.db2.gz NAYKEVZFOGMFDX-UHFFFAOYSA-N 0 0 411.383 5.544 50 0 HKAARN Fc1ccc(C2=Nc3ccc(F)cc3N=C(c3cccc(C(F)(F)F)c3)N2)cc1 ZINC000020447191 526328287 /nfs/dbraw/zinc/32/82/87/526328287.db2.gz NELHUVLVQQAZLS-UHFFFAOYSA-N 0 0 401.338 5.934 50 0 HKAARN Fc1ccc(C2=Nc3ccc(F)cc3N=C(c3ccc(C(F)(F)F)cc3)N2)cc1 ZINC000020447203 526328723 /nfs/dbraw/zinc/32/87/23/526328723.db2.gz QDOSJSGRKHQVEV-UHFFFAOYSA-N 0 0 401.338 5.934 50 0 HKAARN COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3N=C(c3ccc(C)o3)N2)cc1 ZINC000020447212 568608496 /nfs/dbraw/zinc/60/84/96/568608496.db2.gz COTIDYDDRMWBRT-UHFFFAOYSA-N 0 0 415.371 5.446 50 0 HKAARN COc1ccc2c(c1)N=C(c1cccc(C(F)(F)F)c1)NC(c1ccc(F)cc1)=N2 ZINC000020447221 568608560 /nfs/dbraw/zinc/60/85/60/568608560.db2.gz GAMJSIWMCRKUHS-UHFFFAOYSA-N 0 0 413.374 5.804 50 0 HKAARN COc1ccc(C2=Nc3ccc(F)cc3N=C(c3ccc(C(F)(F)F)cc3)N2)cc1 ZINC000020447259 568608578 /nfs/dbraw/zinc/60/85/78/568608578.db2.gz PFBKOANGNHKXJY-UHFFFAOYSA-N 0 0 413.374 5.804 50 0 HKAARN CCc1ccc([C@@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447358 568608431 /nfs/dbraw/zinc/60/84/31/568608431.db2.gz AKSXPENUDDJCCQ-DQEYMECFSA-N 0 0 416.005 5.252 50 0 HKAARN CCc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447361 568608554 /nfs/dbraw/zinc/60/85/54/568608554.db2.gz AKSXPENUDDJCCQ-LOSJGSFVSA-N 0 0 416.005 5.252 50 0 HKAARN CCc1ccc([C@@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447364 568608518 /nfs/dbraw/zinc/60/85/18/568608518.db2.gz AKSXPENUDDJCCQ-RPBOFIJWSA-N 0 0 416.005 5.252 50 0 HKAARN CCc1ccc([C@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447366 568608505 /nfs/dbraw/zinc/60/85/05/568608505.db2.gz AKSXPENUDDJCCQ-JWQCQUIFSA-N 0 0 416.005 5.252 50 0 HKAARN CCC[C@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447378 568608666 /nfs/dbraw/zinc/60/86/66/568608666.db2.gz WXSTYJYWFHSUMR-VXKWHMMOSA-N 0 0 408.369 5.097 50 0 HKAARN CCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447381 568608801 /nfs/dbraw/zinc/60/88/01/568608801.db2.gz WXSTYJYWFHSUMR-FCHUYYIVSA-N 0 0 408.369 5.097 50 0 HKAARN CCC[C@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447385 568608755 /nfs/dbraw/zinc/60/87/55/568608755.db2.gz WXSTYJYWFHSUMR-YADHBBJMSA-N 0 0 408.369 5.097 50 0 HKAARN CCC[C@@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447387 568608806 /nfs/dbraw/zinc/60/88/06/568608806.db2.gz WXSTYJYWFHSUMR-FGZHOGPDSA-N 0 0 408.369 5.097 50 0 HKAARN CCCC[C@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447390 568608736 /nfs/dbraw/zinc/60/87/36/568608736.db2.gz BDFXCUHFXTXXJL-GOTSBHOMSA-N 0 0 422.396 5.487 50 0 HKAARN CCCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447393 568608741 /nfs/dbraw/zinc/60/87/41/568608741.db2.gz BDFXCUHFXTXXJL-XZOQPEGZSA-N 0 0 422.396 5.487 50 0 HKAARN CCCC[C@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447396 568608722 /nfs/dbraw/zinc/60/87/22/568608722.db2.gz BDFXCUHFXTXXJL-PKTZIBPZSA-N 0 0 422.396 5.487 50 0 HKAARN CCCC[C@@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447398 568608776 /nfs/dbraw/zinc/60/87/76/568608776.db2.gz BDFXCUHFXTXXJL-DHIUTWEWSA-N 0 0 422.396 5.487 50 0 HKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccs2)c1OC ZINC000020449293 524188269 /nfs/dbraw/zinc/18/82/69/524188269.db2.gz QKZDIYQOYMOWRP-QHCPKHFHSA-N 0 0 404.535 5.394 50 0 HKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccs2)c1OC ZINC000020449295 558364633 /nfs/dbraw/zinc/36/46/33/558364633.db2.gz QKZDIYQOYMOWRP-HSZRJFAPSA-N 0 0 404.535 5.394 50 0 HKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(SC)cc2)c(C)n1 ZINC000020450050 523376312 /nfs/dbraw/zinc/37/63/12/523376312.db2.gz CGCIKAZNVXLOPC-VWLOTQADSA-N 0 0 416.594 5.562 50 0 HKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(SC)cc2)c(C)n1 ZINC000020450052 523376951 /nfs/dbraw/zinc/37/69/51/523376951.db2.gz CGCIKAZNVXLOPC-RUZDIDTESA-N 0 0 416.594 5.562 50 0 HKAARN OCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2c(F)cccc2Cl)o1 ZINC000020452098 558366269 /nfs/dbraw/zinc/36/62/69/558366269.db2.gz NWYDHNRJNGMUKM-QHCPKHFHSA-N 0 0 410.876 5.193 50 0 HKAARN OCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2c(F)cccc2Cl)o1 ZINC000020452100 558366257 /nfs/dbraw/zinc/36/62/57/558366257.db2.gz NWYDHNRJNGMUKM-HSZRJFAPSA-N 0 0 410.876 5.193 50 0 HKAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020457862 558370880 /nfs/dbraw/zinc/37/08/80/558370880.db2.gz RARVENVSICZKLW-UHFFFAOYSA-N 0 0 421.349 5.293 50 0 HKAARN Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)c4cc(C)c(C)cc4C)c3)nc2c1 ZINC000020463694 568609939 /nfs/dbraw/zinc/60/99/39/568609939.db2.gz YMLKXHWLVRDGSU-UHFFFAOYSA-N 0 0 419.550 5.344 50 0 HKAARN Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000020463698 568609958 /nfs/dbraw/zinc/60/99/58/568609958.db2.gz PCXJSMGNAZMKRS-UHFFFAOYSA-N 0 0 405.523 5.036 50 0 HKAARN Cc1cccn2cc(-c3ccc(C)c(NS(=O)(=O)c4ccc(C)c(C)c4)c3)nc12 ZINC000020463701 568609992 /nfs/dbraw/zinc/60/99/92/568609992.db2.gz ACDIXVWWBNJWHR-UHFFFAOYSA-N 0 0 405.523 5.036 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(Cc3ccc(Cl)cc3)nc2n1 ZINC000020463738 568610007 /nfs/dbraw/zinc/61/00/07/568610007.db2.gz BBRFYPXDTWSZGY-UHFFFAOYSA-N 0 0 417.822 5.439 50 0 HKAARN Cc1cc(Nc2ccccc2C(F)(F)F)n2nc(Cc3ccc(Cl)cc3)nc2n1 ZINC000020463741 568609848 /nfs/dbraw/zinc/60/98/48/568609848.db2.gz AMYHXEKJWCLJDQ-UHFFFAOYSA-N 0 0 417.822 5.439 50 0 HKAARN CCc1sc(NC(=O)c2sc(C)nc2C)nc1-c1ccc(Br)cc1 ZINC000020463940 568610123 /nfs/dbraw/zinc/61/01/23/568610123.db2.gz GMMFFFHOJCFMGR-UHFFFAOYSA-N 0 0 422.373 5.461 50 0 HKAARN CCc1sc(NC(=O)Cc2csc(C)n2)nc1-c1ccc(Br)cc1 ZINC000020463945 568610204 /nfs/dbraw/zinc/61/02/04/568610204.db2.gz GIXXFUFGXGLCHA-UHFFFAOYSA-N 0 0 422.373 5.081 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000020464115 527412040 /nfs/dbraw/zinc/41/20/40/527412040.db2.gz DMBDMIWFPMJOBI-UHFFFAOYSA-N 0 0 420.460 5.106 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000020464118 568610044 /nfs/dbraw/zinc/61/00/44/568610044.db2.gz NOILCPYPSUAYNG-UHFFFAOYSA-N 0 0 420.460 5.106 50 0 HKAARN C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)CCCC2 ZINC000020464372 568610167 /nfs/dbraw/zinc/61/01/67/568610167.db2.gz QIYJOPJNXZNKOH-ASXFNGKXSA-N 0 0 423.626 5.747 50 0 HKAARN C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)CCCC2 ZINC000020464375 525051059 /nfs/dbraw/zinc/05/10/59/525051059.db2.gz QIYJOPJNXZNKOH-DUXBZUBYSA-N 0 0 423.626 5.747 50 0 HKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000020464489 568610103 /nfs/dbraw/zinc/61/01/03/568610103.db2.gz VWXWKQUUTNGMHE-UHFFFAOYSA-N 0 0 419.472 5.758 50 0 HKAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)NC12CC3CC(CC(C3)C1)C2 ZINC000020464493 526636505 /nfs/dbraw/zinc/63/65/05/526636505.db2.gz SGWZTRMKZPZFER-UHFFFAOYSA-N 0 0 409.599 5.186 50 0 HKAARN Cc1c(C(=O)NCc2cccc(Cl)c2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000020464757 568610196 /nfs/dbraw/zinc/61/01/96/568610196.db2.gz LMQKGXFCHIVBSP-UHFFFAOYSA-N 0 0 423.896 5.603 50 0 biogenic HKAARN Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000020464766 525629804 /nfs/dbraw/zinc/62/98/04/525629804.db2.gz REIDNJNPHJWPCE-UHFFFAOYSA-N 0 0 423.896 5.603 50 0 biogenic HKAARN C=C1C(Nc2ccc(N(CC)CC)cc2C)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465719 568610047 /nfs/dbraw/zinc/61/00/47/568610047.db2.gz WLTXPRUNJNRKTK-UHFFFAOYSA-N 0 0 411.571 5.043 50 0 HKAARN C=C1C(Nc2ccc(N(CC)CC)cc2C)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020465789 568610097 /nfs/dbraw/zinc/61/00/97/568610097.db2.gz SQJCMTNGRRXWMJ-UHFFFAOYSA-N 0 0 417.962 5.080 50 0 HKAARN C=C1C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020465792 568610375 /nfs/dbraw/zinc/61/03/75/568610375.db2.gz GKRJIXWBSAVNCY-XSXQVXRUSA-N 0 0 418.990 5.007 50 0 HKAARN C=C1C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020465795 520842308 /nfs/dbraw/zinc/84/23/08/520842308.db2.gz GKRJIXWBSAVNCY-HIGJEIRPSA-N 0 0 418.990 5.007 50 0 HKAARN Cc1cc(C)c2c(n1)sc(C(=O)NCCc1c[nH]c3ccccc13)c2-n1cccc1 ZINC000020465927 568610358 /nfs/dbraw/zinc/61/03/58/568610358.db2.gz UEMRXJNHHIRKDS-UHFFFAOYSA-N 0 0 414.534 5.158 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccc(Cl)cc1)c2Sc1ccccc1 ZINC000020466779 568610357 /nfs/dbraw/zinc/61/03/57/568610357.db2.gz ZSQQVGKIFITYQF-UHFFFAOYSA-N 0 0 422.937 5.911 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c2Sc1ccccc1 ZINC000020466782 568610272 /nfs/dbraw/zinc/61/02/72/568610272.db2.gz PYHXMNKEJKJQAE-GQIGUUNPSA-N 0 0 408.567 5.882 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c2Sc1ccccc1 ZINC000020466788 568610342 /nfs/dbraw/zinc/61/03/42/568610342.db2.gz PYHXMNKEJKJQAE-TWOQFEAHSA-N 0 0 408.567 5.882 50 0 HKAARN COc1ccc2c(c1)[nH]c(C(=O)NCc1ccccc1)c2Sc1ccc(Cl)cc1 ZINC000020466826 568610277 /nfs/dbraw/zinc/61/02/77/568610277.db2.gz SHQRDZURKMUMEP-UHFFFAOYSA-N 0 0 422.937 5.911 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000020466942 558373824 /nfs/dbraw/zinc/37/38/24/558373824.db2.gz RMSCEDXYMIQKGI-UHFFFAOYSA-N 0 0 400.478 6.153 50 0 HKAARN Cc1ccc2[nH]cc(C(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020479572 558374872 /nfs/dbraw/zinc/37/48/72/558374872.db2.gz IZVDGVCYDLOQTJ-UHFFFAOYSA-N 0 0 423.560 5.066 50 0 HKAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020480016 558374938 /nfs/dbraw/zinc/37/49/38/558374938.db2.gz NHNZAVDTBQWIPM-OAQYLSRUSA-N 0 0 423.560 5.146 50 0 HKAARN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020480018 558374963 /nfs/dbraw/zinc/37/49/63/558374963.db2.gz NHNZAVDTBQWIPM-NRFANRHFSA-N 0 0 423.560 5.146 50 0 HKAARN O=C(c1noc2c1COc1ccccc1-2)N(Cc1cccs1)Cc1ccccc1 ZINC000020484672 568612809 /nfs/dbraw/zinc/61/28/09/568612809.db2.gz MJYJMDHHKCNPTG-UHFFFAOYSA-N 0 0 402.475 5.138 50 0 HKAARN Cc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c(Br)c1 ZINC000020484941 568612830 /nfs/dbraw/zinc/61/28/30/568612830.db2.gz IGOHOCIETBUZAL-UHFFFAOYSA-N 0 0 414.328 5.016 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020484952 568612963 /nfs/dbraw/zinc/61/29/63/568612963.db2.gz GTPOOJZXPJNLKC-UHFFFAOYSA-N 0 0 414.328 5.016 50 0 HKAARN CCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccc(OCC)cc1 ZINC000020485141 568612881 /nfs/dbraw/zinc/61/28/81/568612881.db2.gz IKLKHUOTLPGNNH-UHFFFAOYSA-N 0 0 407.539 5.148 50 0 HKAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020486800 568613399 /nfs/dbraw/zinc/61/33/99/568613399.db2.gz PIMXCNHTWBZBAL-UHFFFAOYSA-N 0 0 411.908 5.053 50 0 HKAARN CCn1cc2c(n1)-c1c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc1CC2 ZINC000020490021 568614302 /nfs/dbraw/zinc/61/43/02/568614302.db2.gz NWVUFJJTEUWSNY-UHFFFAOYSA-N 0 0 423.822 5.495 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490031 568614339 /nfs/dbraw/zinc/61/43/39/568614339.db2.gz MSRNMYXXQHCXJB-UHFFFAOYSA-N 0 0 415.468 5.298 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2C)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000020490035 568614314 /nfs/dbraw/zinc/61/43/14/568614314.db2.gz OZZYDPDZQZKUHT-UHFFFAOYSA-N 0 0 411.505 5.468 50 0 HKAARN Cc1c(C(=O)NCCC(C)C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490144 525608032 /nfs/dbraw/zinc/60/80/32/525608032.db2.gz ZVQOXXOJSRHNCX-UHFFFAOYSA-N 0 0 411.933 5.028 50 0 HKAARN Cc1c(C(=O)N2CCCCCC2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490185 568614522 /nfs/dbraw/zinc/61/45/22/568614522.db2.gz UPLXJLVDZMMXQJ-UHFFFAOYSA-N 0 0 423.944 5.268 50 0 HKAARN Cc1c(C(=O)NCCC(C)C)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490223 568614482 /nfs/dbraw/zinc/61/44/82/568614482.db2.gz ZBRXDZFRQUONOD-UHFFFAOYSA-N 0 0 411.933 5.028 50 0 HKAARN Cc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@@H](C)[C@H]5C)cc4sc3n2)cc1 ZINC000020490286 568614536 /nfs/dbraw/zinc/61/45/36/568614536.db2.gz SQHNHCLEAVKQJX-MBOZVWFJSA-N 0 0 417.578 6.079 50 0 HKAARN Cc1ccc(-c2cn3c4ccc(C(=O)N[C@@H]5CCC[C@H](C)[C@H]5C)cc4sc3n2)cc1 ZINC000020490288 568614487 /nfs/dbraw/zinc/61/44/87/568614487.db2.gz SQHNHCLEAVKQJX-SQGPQFPESA-N 0 0 417.578 6.079 50 0 HKAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000020490368 568614514 /nfs/dbraw/zinc/61/45/14/568614514.db2.gz OWCNOTIWEDFMPQ-UHFFFAOYSA-N 0 0 417.921 5.799 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000020490374 568614540 /nfs/dbraw/zinc/61/45/40/568614540.db2.gz BQRGGCPDJYJJCU-UHFFFAOYSA-N 0 0 417.921 5.799 50 0 HKAARN C[C@]12CC3CC(C(=O)Nc4nc5ccc(Br)cc5s4)(C1)C[C@@](C)(C3)C2 ZINC000020502901 568619565 /nfs/dbraw/zinc/61/95/65/568619565.db2.gz FWSFDMSBICPTCC-UWMIKVSISA-N 0 0 419.388 5.994 50 0 HKAARN Cc1cccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000020503172 568619549 /nfs/dbraw/zinc/61/95/49/568619549.db2.gz IWPRIMDUKNIZGM-UHFFFAOYSA-N 0 0 421.491 5.212 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccccc1C(F)(F)F)NC2 ZINC000020507343 558381763 /nfs/dbraw/zinc/38/17/63/558381763.db2.gz SLPJGMXSYHFUSY-QFIPXVFZSA-N 0 0 416.443 5.486 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccccc1C(F)(F)F)NC2 ZINC000020507345 520798209 /nfs/dbraw/zinc/79/82/09/520798209.db2.gz SLPJGMXSYHFUSY-JOCHJYFZSA-N 0 0 416.443 5.486 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H]1c1cccs1 ZINC000020508355 568620251 /nfs/dbraw/zinc/62/02/51/568620251.db2.gz LLLJNCZKNMHDGG-WKZKVMAPSA-N 0 0 424.610 5.189 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)[C@H]1c1cccs1 ZINC000020508358 568620259 /nfs/dbraw/zinc/62/02/59/568620259.db2.gz LLLJNCZKNMHDGG-OVNVTHAWSA-N 0 0 424.610 5.189 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020508664 526325324 /nfs/dbraw/zinc/32/53/24/526325324.db2.gz YSEJUFKHKNFETC-JLHYYAGUSA-N 0 0 410.561 5.066 50 0 HKAARN COc1ccc(-n2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 ZINC000020508769 568620201 /nfs/dbraw/zinc/62/02/01/568620201.db2.gz YJVKSMMAMRCYDB-UHFFFAOYSA-N 0 0 412.489 5.375 50 0 HKAARN O=C(Nc1cccc(O)c1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000020509467 527362656 /nfs/dbraw/zinc/36/26/56/527362656.db2.gz UDSFRWQQLLGYDG-UHFFFAOYSA-N 0 0 422.484 5.415 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509490 558382031 /nfs/dbraw/zinc/38/20/31/558382031.db2.gz MXCBVYDXKBZYPQ-DTQAZKPQSA-N 0 0 416.952 5.287 50 0 HKAARN O=C(/C=C/c1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509493 558381973 /nfs/dbraw/zinc/38/19/73/558381973.db2.gz BNAWQOLSAALCEM-CCEZHUSRSA-N 0 0 416.952 5.287 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509496 558382114 /nfs/dbraw/zinc/38/21/14/558382114.db2.gz LVEKLFONNZHJRA-FOCLMDBBSA-N 0 0 416.952 5.287 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509530 558382057 /nfs/dbraw/zinc/38/20/57/558382057.db2.gz ABPJDTCPABFDHS-UHFFFAOYSA-N 0 0 411.549 5.114 50 0 HKAARN O=C(c1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509547 558381943 /nfs/dbraw/zinc/38/19/43/558381943.db2.gz JKLZUPLGMOFEIU-UHFFFAOYSA-N 0 0 406.529 5.387 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccc(F)cc1 ZINC000020509619 558381995 /nfs/dbraw/zinc/38/19/95/558381995.db2.gz WILLTCIJEHCZPY-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccc(F)cc1 ZINC000020509622 526873757 /nfs/dbraw/zinc/87/37/57/526873757.db2.gz WILLTCIJEHCZPY-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(Nc1cccc(F)c1)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020509669 527351757 /nfs/dbraw/zinc/35/17/57/527351757.db2.gz SGJINCRNFRSPOR-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1cccc(F)c1)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020509672 558382070 /nfs/dbraw/zinc/38/20/70/558382070.db2.gz SGJINCRNFRSPOR-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccccc1F)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020509685 558382108 /nfs/dbraw/zinc/38/21/08/558382108.db2.gz SBESHNRUMWOLKF-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccccc1F)N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020509688 558381902 /nfs/dbraw/zinc/38/19/02/558381902.db2.gz SBESHNRUMWOLKF-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN Clc1ccccc1-c1nnc([C@@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)o1 ZINC000020509709 558381985 /nfs/dbraw/zinc/38/19/85/558381985.db2.gz ZPAFXUZWRHSTFP-NRFANRHFSA-N 0 0 419.868 5.363 50 0 HKAARN Clc1ccccc1-c1nnc([C@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)o1 ZINC000020509712 558382045 /nfs/dbraw/zinc/38/20/45/558382045.db2.gz ZPAFXUZWRHSTFP-OAQYLSRUSA-N 0 0 419.868 5.363 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3noc4c3COc3ccc(C)cc3-4)ccc21 ZINC000020509922 568620635 /nfs/dbraw/zinc/62/06/35/568620635.db2.gz RALOFXPWPGKUDD-UHFFFAOYSA-N 0 0 423.472 5.923 50 0 HKAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)c1CO2 ZINC000020510054 568621065 /nfs/dbraw/zinc/62/10/65/568621065.db2.gz QRHOMSWMNZONEQ-UHFFFAOYSA-N 0 0 407.813 5.103 50 0 HKAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 ZINC000020510104 525803087 /nfs/dbraw/zinc/80/30/87/525803087.db2.gz FASCGXLECFNHIJ-UHFFFAOYSA-N 0 0 413.443 5.856 50 0 HKAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1c(C)cc(C)cc1C ZINC000020510704 568621274 /nfs/dbraw/zinc/62/12/74/568621274.db2.gz MHRJYPHZSUMBLZ-GOSISDBHSA-N 0 0 424.595 5.687 50 0 HKAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1c(C)cc(C)cc1C ZINC000020510706 522927711 /nfs/dbraw/zinc/92/77/11/522927711.db2.gz MHRJYPHZSUMBLZ-SFHVURJKSA-N 0 0 424.595 5.687 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510708 524065547 /nfs/dbraw/zinc/06/55/47/524065547.db2.gz QRHPHEFFWSNIEQ-GOSISDBHSA-N 0 0 424.595 5.633 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@H](CC)Sc1nnc(C)n2c3ccsc3cc12 ZINC000020510710 568621329 /nfs/dbraw/zinc/62/13/29/568621329.db2.gz QRHPHEFFWSNIEQ-SFHVURJKSA-N 0 0 424.595 5.633 50 0 HKAARN CCc1nnc(SCc2nc(-c3cccc(C)c3)oc2C)c2cc3sccc3n21 ZINC000020510728 568621264 /nfs/dbraw/zinc/62/12/64/568621264.db2.gz IRXFVKRARJEZBJ-UHFFFAOYSA-N 0 0 420.563 6.071 50 0 HKAARN CCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)c2cc3sccc3n21 ZINC000020510752 568621335 /nfs/dbraw/zinc/62/13/35/568621335.db2.gz NVMWFCPYMWDHAQ-UHFFFAOYSA-N 0 0 420.922 5.030 50 0 HKAARN CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)c2cc3sccc3n21 ZINC000020510754 522783068 /nfs/dbraw/zinc/78/30/68/522783068.db2.gz ZDVMEUYYBWUQBC-UHFFFAOYSA-N 0 0 420.922 5.030 50 0 HKAARN CCc1nnc(S[C@H](CC)C(=O)NCc2ccc(C)cc2)c2cc3sccc3n21 ZINC000020510764 568621236 /nfs/dbraw/zinc/62/12/36/568621236.db2.gz JYDHDJRZKVCHTF-GOSISDBHSA-N 0 0 424.595 5.002 50 0 HKAARN CCc1nnc(S[C@@H](CC)C(=O)NCc2ccc(C)cc2)c2cc3sccc3n21 ZINC000020510766 522785655 /nfs/dbraw/zinc/78/56/55/522785655.db2.gz JYDHDJRZKVCHTF-SFHVURJKSA-N 0 0 424.595 5.002 50 0 HKAARN COc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020511932 568621471 /nfs/dbraw/zinc/62/14/71/568621471.db2.gz IFKONCKXZVXFJG-IEGUWTFLSA-N 0 0 420.553 5.311 50 0 HKAARN COc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000020511937 568621493 /nfs/dbraw/zinc/62/14/93/568621493.db2.gz IFKONCKXZVXFJG-IUKKYPGJSA-N 0 0 420.553 5.311 50 0 HKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c2C(=O)[O-])cc1 ZINC000020511980 568621988 /nfs/dbraw/zinc/62/19/88/568621988.db2.gz ZYGDMLSHXVCWHH-YOSAUDMPSA-N 0 0 418.581 5.919 50 0 HKAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c2C(=O)[O-])cc1 ZINC000020511982 568621898 /nfs/dbraw/zinc/62/18/98/568621898.db2.gz ZYGDMLSHXVCWHH-DCLXLUIPSA-N 0 0 418.581 5.919 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CCN1c2cccnc2Sc2ccccc2C1=O ZINC000020512089 524738900 /nfs/dbraw/zinc/73/89/00/524738900.db2.gz RSWANOJUALMRIZ-UHFFFAOYSA-N 0 0 423.925 5.184 50 0 HKAARN CC(C)c1ccc(NC(=O)CCN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000020512176 568621984 /nfs/dbraw/zinc/62/19/84/568621984.db2.gz KDDYUHVYAMHBDC-UHFFFAOYSA-N 0 0 417.534 5.345 50 0 HKAARN O=C(C[C@@H]1c2ccccc2Sc2ccc(Cl)cc21)NC1C2CC3CC(C2)CC1C3 ZINC000020512657 527145830 /nfs/dbraw/zinc/14/58/30/527145830.db2.gz BZEXXNQQCGUGIP-DFLLUYNGSA-N 0 0 424.009 6.268 50 0 HKAARN O=C(C[C@H]1c2ccccc2Sc2ccc(Cl)cc21)NC1C2CC3CC(C2)CC1C3 ZINC000020512661 527187878 /nfs/dbraw/zinc/18/78/78/527187878.db2.gz BZEXXNQQCGUGIP-GQSNMYLESA-N 0 0 424.009 6.268 50 0 HKAARN O=C(N1CCN(C2c3ccccc3-c3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000020512718 558382395 /nfs/dbraw/zinc/38/23/95/558382395.db2.gz AIMHLCPTZVRJGS-UHFFFAOYSA-N 0 0 412.577 5.117 50 0 HKAARN Cc1cc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)ccc1Cl ZINC000020512986 558382413 /nfs/dbraw/zinc/38/24/13/558382413.db2.gz XJORPOPUUQBKKX-NSCUHMNNSA-N 0 0 415.814 5.343 50 0 HKAARN Fc1c(F)c(Oc2ccccc2Cl)c(F)c(F)c1/C=C/CN1CCOCC1 ZINC000020513168 558382402 /nfs/dbraw/zinc/38/24/02/558382402.db2.gz QGZIAOBYDWGXNY-ONEGZZNKSA-N 0 0 401.787 5.034 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000020513567 558382760 /nfs/dbraw/zinc/38/27/60/558382760.db2.gz HKBREEUKHUUCHP-UHFFFAOYSA-N 0 0 401.466 5.635 50 0 HKAARN CCc1cc(CNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)on1 ZINC000020515122 558382688 /nfs/dbraw/zinc/38/26/88/558382688.db2.gz AOCPCQGOAQOFHB-UHFFFAOYSA-N 0 0 410.880 5.172 50 0 HKAARN Cc1ccc(Cn2cc(CCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000020515628 568622992 /nfs/dbraw/zinc/62/29/92/568622992.db2.gz FDRFAFWZSBMFAI-DNRQZRRGSA-N 0 0 402.582 5.872 50 0 HKAARN Cc1ccc(Cn2cc(CCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000020515633 568623119 /nfs/dbraw/zinc/62/31/19/568623119.db2.gz FDRFAFWZSBMFAI-BPYKYCOYSA-N 0 0 402.582 5.872 50 0 HKAARN O=C(CCc1ccccc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020521994 558383718 /nfs/dbraw/zinc/38/37/18/558383718.db2.gz UKIGXRAROZAOAJ-JOCHJYFZSA-N 0 0 417.896 5.228 50 0 HKAARN O=C(CCc1ccccc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020521996 558383595 /nfs/dbraw/zinc/38/35/95/558383595.db2.gz UKIGXRAROZAOAJ-QFIPXVFZSA-N 0 0 417.896 5.228 50 0 HKAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000020522533 558383631 /nfs/dbraw/zinc/38/36/31/558383631.db2.gz LQSPVWAQGFKWJX-UHFFFAOYSA-N 0 0 405.350 5.166 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@@H](c2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000020523108 558383639 /nfs/dbraw/zinc/38/36/39/558383639.db2.gz FLOHZXAEEHVWSG-JOCHJYFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@H](c2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000020523110 558383709 /nfs/dbraw/zinc/38/37/09/558383709.db2.gz FLOHZXAEEHVWSG-QFIPXVFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000020523116 558383586 /nfs/dbraw/zinc/38/35/86/558383586.db2.gz RTELYPJJOKCFCS-JOCHJYFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000020523118 558383690 /nfs/dbraw/zinc/38/36/90/558383690.db2.gz RTELYPJJOKCFCS-QFIPXVFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C(Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21)N1CCCC1 ZINC000020530031 568626618 /nfs/dbraw/zinc/62/66/18/568626618.db2.gz QETOLZOCHOTKMK-UHFFFAOYSA-N 0 0 418.484 5.575 50 0 HKAARN O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(-c3ccccc3)ccc2c1Cl ZINC000020530429 558383981 /nfs/dbraw/zinc/38/39/81/558383981.db2.gz XACUBIHHMOOUDQ-UHFFFAOYSA-N 0 0 421.905 5.880 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000020530532 558383986 /nfs/dbraw/zinc/38/39/86/558383986.db2.gz WQZUOEBCTLVWPU-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000020530533 558383932 /nfs/dbraw/zinc/38/39/32/558383932.db2.gz WQZUOEBCTLVWPU-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(Cc1cccc(F)c1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 ZINC000020530541 527265552 /nfs/dbraw/zinc/26/55/52/527265552.db2.gz NIEZDBXGQQYMEU-UHFFFAOYSA-N 0 0 419.481 5.349 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 ZINC000020530548 558383956 /nfs/dbraw/zinc/38/39/56/558383956.db2.gz DPXJRXIJIJKMEG-UHFFFAOYSA-N 0 0 421.909 5.935 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc(F)cc1 ZINC000020530549 558384410 /nfs/dbraw/zinc/38/44/10/558384410.db2.gz STQRYHFXOLFERF-UHFFFAOYSA-N 0 0 405.454 5.420 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1cccc(Cl)c1 ZINC000020530552 558384240 /nfs/dbraw/zinc/38/42/40/558384240.db2.gz GFCHPWISPCBXCG-UHFFFAOYSA-N 0 0 421.909 5.935 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1cccc(F)c1 ZINC000020530553 558384413 /nfs/dbraw/zinc/38/44/13/558384413.db2.gz JSFKNUJJTZRXHD-UHFFFAOYSA-N 0 0 405.454 5.420 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531083 568627131 /nfs/dbraw/zinc/62/71/31/568627131.db2.gz RVVRGOTUWPDZEH-FQEVSTJZSA-N 0 0 411.288 5.329 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531084 568627105 /nfs/dbraw/zinc/62/71/05/568627105.db2.gz RVVRGOTUWPDZEH-HXUWFJFHSA-N 0 0 411.288 5.329 50 0 HKAARN CSc1ccc(CCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)cc1 ZINC000020531994 525984125 /nfs/dbraw/zinc/98/41/25/525984125.db2.gz DSQPCYRVAVQYOT-UHFFFAOYSA-N 0 0 406.576 5.451 50 0 HKAARN CCc1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000020532360 568628015 /nfs/dbraw/zinc/62/80/15/568628015.db2.gz NNHLXDJUEQDPSA-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN Fc1ccc(CSc2nc3cccnc3n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000020532361 526343461 /nfs/dbraw/zinc/34/34/61/526343461.db2.gz UXSIRSQUGOBJAS-UHFFFAOYSA-N 0 0 417.431 5.930 50 0 HKAARN Cc1ccc(CSc2nc3cccnc3n2CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000020532366 568628073 /nfs/dbraw/zinc/62/80/73/568628073.db2.gz ACTJBOCPAPSRJP-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN CCc1cccc(NC(=O)Cn2c(SCc3cccc(C)c3)nc3cccnc32)c1 ZINC000020532368 521756379 /nfs/dbraw/zinc/75/63/79/521756379.db2.gz MCDBNZBWYIHTNM-UHFFFAOYSA-N 0 0 416.550 5.233 50 0 HKAARN CCc1ccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000020532376 568628127 /nfs/dbraw/zinc/62/81/27/568628127.db2.gz ZNCNHDFRWVRTRE-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c1 ZINC000020532377 568628105 /nfs/dbraw/zinc/62/81/05/568628105.db2.gz YGJSMIABYSHULP-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c(C)c1 ZINC000020532379 568628097 /nfs/dbraw/zinc/62/80/97/568628097.db2.gz RZRYFWZNZZBEEK-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1C ZINC000020532380 568628045 /nfs/dbraw/zinc/62/80/45/568628045.db2.gz YDKUEHDYYNYWJJ-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)c1 ZINC000020532385 568628130 /nfs/dbraw/zinc/62/81/30/568628130.db2.gz UWPOHSFFNWDVNY-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN Cc1ccc(NC(=O)Cn2c(SCc3ccccc3F)nc3cccnc32)cc1C ZINC000020532419 568628001 /nfs/dbraw/zinc/62/80/01/568628001.db2.gz OPMINKZCNKKAAA-UHFFFAOYSA-N 0 0 420.513 5.118 50 0 HKAARN CCc1cccc(NC(=O)Cn2c(SCc3ccccc3F)nc3cccnc32)c1 ZINC000020532420 568628110 /nfs/dbraw/zinc/62/81/10/568628110.db2.gz DWDMYOJOVANYBF-UHFFFAOYSA-N 0 0 420.513 5.064 50 0 HKAARN Cc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)cc1 ZINC000020532424 568628058 /nfs/dbraw/zinc/62/80/58/568628058.db2.gz WMMFNKUGYNFBEY-UHFFFAOYSA-N 0 0 413.468 6.099 50 0 HKAARN Fc1cccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)c1 ZINC000020532439 568628128 /nfs/dbraw/zinc/62/81/28/568628128.db2.gz GUKLSBFCVVKYPJ-UHFFFAOYSA-N 0 0 417.431 5.930 50 0 HKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cccc(OC)c4)ccc3n2)cc1 ZINC000020532796 568628639 /nfs/dbraw/zinc/62/86/39/568628639.db2.gz QEDLXJAXXMAELG-UHFFFAOYSA-N 0 0 413.477 5.556 50 0 HKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)Cc4cccs4)ccc3n2)cc1 ZINC000020532797 568628725 /nfs/dbraw/zinc/62/87/25/568628725.db2.gz YOWMSABMAJXCFZ-UHFFFAOYSA-N 0 0 403.507 5.538 50 0 HKAARN COc1ccc(Nc2cc(C)c3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3n2)cc1 ZINC000020532801 568628604 /nfs/dbraw/zinc/62/86/04/568628604.db2.gz XIHGBLWCWSAVQN-UHFFFAOYSA-N 0 0 422.488 6.029 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccncc3)cc12 ZINC000020532805 568628504 /nfs/dbraw/zinc/62/85/04/568628504.db2.gz LQJWGBPLTBVHJV-UHFFFAOYSA-N 0 0 422.410 5.953 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3cnccn3)cc12 ZINC000020532817 568628623 /nfs/dbraw/zinc/62/86/23/568628623.db2.gz PKJAJMFODVCPHN-UHFFFAOYSA-N 0 0 423.398 5.348 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccco3)cc12 ZINC000020532818 568628681 /nfs/dbraw/zinc/62/86/81/568628681.db2.gz PHHHQSZEPVCGJP-UHFFFAOYSA-N 0 0 411.383 6.151 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)c3ccccn3)cc12 ZINC000020532829 568628537 /nfs/dbraw/zinc/62/85/37/568628537.db2.gz XXTAHWVAQMZRRE-UHFFFAOYSA-N 0 0 422.410 5.953 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)[C@@H]3CCCO3)cc12 ZINC000020532842 568628665 /nfs/dbraw/zinc/62/86/65/568628665.db2.gz QWQJWKOHDNWMBJ-IBGZPJMESA-N 0 0 415.415 5.423 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)[C@H]3CCCO3)cc12 ZINC000020532843 568628710 /nfs/dbraw/zinc/62/87/10/568628710.db2.gz QWQJWKOHDNWMBJ-LJQANCHMSA-N 0 0 415.415 5.423 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccnc3Cl)cc12 ZINC000020532853 568628632 /nfs/dbraw/zinc/62/86/32/568628632.db2.gz BNPFHGUTKYLTCB-UHFFFAOYSA-N 0 0 423.303 6.241 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccccc3F)cc12 ZINC000020532855 568628701 /nfs/dbraw/zinc/62/87/01/568628701.db2.gz MMAKQPDTFZRXPC-UHFFFAOYSA-N 0 0 405.860 6.332 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc12 ZINC000020532856 568628552 /nfs/dbraw/zinc/62/85/52/568628552.db2.gz MGDOVEHXJUKNDZ-UHFFFAOYSA-N 0 0 422.315 6.846 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccc(F)cc3)cc12 ZINC000020532857 568628511 /nfs/dbraw/zinc/62/85/11/568628511.db2.gz SECWKPUFVAEPEY-UHFFFAOYSA-N 0 0 405.860 6.332 50 0 HKAARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C2(CCCCCC2)OC1=O ZINC000020532898 568628678 /nfs/dbraw/zinc/62/86/78/568628678.db2.gz AQGBKGJLRQZGHS-UHFFFAOYSA-N 0 0 401.812 5.264 50 0 biogenic HKAARN O=C1c2cc3ccccc3nc2N[C@@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 ZINC000020533938 558385307 /nfs/dbraw/zinc/38/53/07/558385307.db2.gz DBTZIMBSAJRZBI-JOCHJYFZSA-N 0 0 420.299 6.313 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 ZINC000020533939 558385271 /nfs/dbraw/zinc/38/52/71/558385271.db2.gz DBTZIMBSAJRZBI-QFIPXVFZSA-N 0 0 420.299 6.313 50 0 HKAARN FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)c1 ZINC000020537240 527686514 /nfs/dbraw/zinc/68/65/14/527686514.db2.gz MXAGKVFVONFPOT-QHCPKHFHSA-N 0 0 407.439 5.729 50 0 HKAARN FC(F)(F)c1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)c1 ZINC000020537242 527686565 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Cc1sc2c(c1C)CSC(C(=O)Nc1ccccc1C(=O)c1ccccc1)=C2 ZINC000020557243 526887649 /nfs/dbraw/zinc/88/76/49/526887649.db2.gz XYTGPJPUGGVXCA-UHFFFAOYSA-N 0 0 405.544 5.822 50 0 HKAARN O=C(Nc1ccccc1Br)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557406 527406382 /nfs/dbraw/zinc/40/63/82/527406382.db2.gz NMPQEJUFWWJUGA-UHFFFAOYSA-N 0 0 406.370 5.616 50 0 HKAARN COc1cc(OC)c(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)cc1Cl ZINC000020557418 522798397 /nfs/dbraw/zinc/79/83/97/522798397.db2.gz LHMQJTIIOGOZBN-UHFFFAOYSA-N 0 0 421.971 5.524 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557454 527158370 /nfs/dbraw/zinc/15/83/70/527158370.db2.gz JMGUBXNBMLLDSR-UHFFFAOYSA-N 0 0 424.360 5.755 50 0 HKAARN Cc1cc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)ccc1Br ZINC000020557490 525116841 /nfs/dbraw/zinc/11/68/41/525116841.db2.gz CKDBCQNVJKLUMJ-UHFFFAOYSA-N 0 0 420.397 5.924 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557519 522508390 /nfs/dbraw/zinc/50/83/90/522508390.db2.gz SGJYLQVEIHXHNS-UHFFFAOYSA-N 0 0 405.972 5.824 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)c1 ZINC000020557523 521167450 /nfs/dbraw/zinc/16/74/50/521167450.db2.gz VZDUEQZDIZXZIF-UHFFFAOYSA-N 0 0 415.580 5.651 50 0 HKAARN CCN(CC)c1ccc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)c(C)c1 ZINC000020557529 520913015 /nfs/dbraw/zinc/91/30/15/520913015.db2.gz JTSMHPZTELMADB-UHFFFAOYSA-N 0 0 412.624 6.008 50 0 HKAARN O=C(Nc1ccc(Br)cn1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557533 527159333 /nfs/dbraw/zinc/15/93/33/527159333.db2.gz ABXGIJCNWVKBNB-UHFFFAOYSA-N 0 0 407.358 5.011 50 0 HKAARN CSc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)cc1 ZINC000020557562 525985515 /nfs/dbraw/zinc/98/55/15/525985515.db2.gz MKNXAKKXZPEQKI-UHFFFAOYSA-N 0 0 401.622 5.295 50 0 HKAARN O=C(NCc1cccc(Br)c1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557564 526708889 /nfs/dbraw/zinc/70/88/89/526708889.db2.gz CNYRHUAEGXUJFP-UHFFFAOYSA-N 0 0 420.397 5.294 50 0 HKAARN CC1CCN(c2ccc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)cc2)CC1 ZINC000020557568 521043459 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C[C@@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccccc2Br)=C3)C1 ZINC000020557628 524725126 /nfs/dbraw/zinc/72/51/26/524725126.db2.gz MEDDOHVZYPEVKI-LLVKDONJSA-N 0 0 420.397 5.862 50 0 HKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccccc2Br)=C3)C1 ZINC000020557630 524438091 /nfs/dbraw/zinc/43/80/91/524438091.db2.gz MEDDOHVZYPEVKI-NSHDSACASA-N 0 0 420.397 5.862 50 0 HKAARN C[C@@H]1CCc2c(sc3c2CSC(C(=O)NCCc2ccc(Cl)cc2)=C3)C1 ZINC000020557662 524726245 /nfs/dbraw/zinc/72/62/45/524726245.db2.gz ZABOYWJCOQOUDI-CYBMUJFWSA-N 0 0 404.000 5.473 50 0 HKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)NCCc2ccc(Cl)cc2)=C3)C1 ZINC000020557664 524436695 /nfs/dbraw/zinc/43/66/95/524436695.db2.gz ZABOYWJCOQOUDI-ZDUSSCGKSA-N 0 0 404.000 5.473 50 0 HKAARN COc1ccc(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)c(OC)c1 ZINC000020557674 524469051 /nfs/dbraw/zinc/46/90/51/524469051.db2.gz YWASDBIEYGBNEI-LBPRGKRZSA-N 0 0 401.553 5.117 50 0 HKAARN COc1ccc(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)c(OC)c1 ZINC000020557676 524470136 /nfs/dbraw/zinc/47/01/36/524470136.db2.gz YWASDBIEYGBNEI-GFCCVEGCSA-N 0 0 401.553 5.117 50 0 HKAARN COc1cc(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)cc(OC)c1 ZINC000020557678 522647557 /nfs/dbraw/zinc/64/75/57/522647557.db2.gz JQBXEFUFZIFAFO-LBPRGKRZSA-N 0 0 401.553 5.117 50 0 HKAARN COc1cc(NC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)cc(OC)c1 ZINC000020557680 522647227 /nfs/dbraw/zinc/64/72/27/522647227.db2.gz JQBXEFUFZIFAFO-GFCCVEGCSA-N 0 0 401.553 5.117 50 0 HKAARN CCOc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)cc1 ZINC000020557737 520949009 /nfs/dbraw/zinc/94/90/09/520949009.db2.gz FBBGTSUJEMFMBP-HNNXBMFYSA-N 0 0 413.608 5.218 50 0 HKAARN CCOc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)cc1 ZINC000020557739 520949175 /nfs/dbraw/zinc/94/91/75/520949175.db2.gz FBBGTSUJEMFMBP-OAHLLOKOSA-N 0 0 413.608 5.218 50 0 HKAARN C[C@@H]1Cn2c(C(=O)Nc3ccc(Br)cc3F)cc3cccc(c32)S1 ZINC000020559796 525540481 /nfs/dbraw/zinc/54/04/81/525540481.db2.gz JUDRWROKAHSNKQ-SNVBAGLBSA-N 0 0 405.292 5.289 50 0 HKAARN C[C@H]1Cn2c(C(=O)Nc3ccc(Br)cc3F)cc3cccc(c32)S1 ZINC000020559798 524999516 /nfs/dbraw/zinc/99/95/16/524999516.db2.gz JUDRWROKAHSNKQ-JTQLQIEISA-N 0 0 405.292 5.289 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)nc1COc1ccccc1 ZINC000020560109 526730322 /nfs/dbraw/zinc/73/03/22/526730322.db2.gz KGZGYQQBOUABHK-PMAPCBKXSA-N 0 0 418.537 5.784 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)nc1COc1ccccc1 ZINC000020560111 526729549 /nfs/dbraw/zinc/72/95/49/526729549.db2.gz KGZGYQQBOUABHK-YZZKKUAISA-N 0 0 418.537 5.784 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3ccccc3F)cc2)nc1CSc1ccccc1 ZINC000020560147 526730251 /nfs/dbraw/zinc/73/02/51/526730251.db2.gz FBKNLLVONIWHJD-UHFFFAOYSA-N 0 0 418.493 6.334 50 0 HKAARN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560570 525171706 /nfs/dbraw/zinc/17/17/06/525171706.db2.gz XWXQDRIEFUWIBW-JOCHJYFZSA-N 0 0 420.896 5.075 50 0 HKAARN COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560573 525344270 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526113862 /nfs/dbraw/zinc/11/38/62/526113862.db2.gz DLVGYYJRTLPWMD-HSZRJFAPSA-N 0 0 416.546 5.443 50 0 HKAARN CSc1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000020561869 526115413 /nfs/dbraw/zinc/11/54/13/526115413.db2.gz DLVGYYJRTLPWMD-QHCPKHFHSA-N 0 0 416.546 5.443 50 0 HKAARN CC1CCC(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)CC1 ZINC000020569701 520910404 /nfs/dbraw/zinc/91/04/04/520910404.db2.gz XIRORTQJAFOMHZ-LAGYLCCXSA-N 0 0 409.917 5.422 50 0 HKAARN CC1CCC(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)CC1 ZINC000020569703 520911496 /nfs/dbraw/zinc/91/14/96/520911496.db2.gz XIRORTQJAFOMHZ-MKJPBZQASA-N 0 0 409.917 5.422 50 0 HKAARN CCCc1ccc(C(=O)/N=c2\ccc(C)cn2C(=O)c2ccc(CCC)cc2)cc1 ZINC000020572989 521387508 /nfs/dbraw/zinc/38/75/08/521387508.db2.gz IDVRUMKGTJWDGG-SOYKGTTHSA-N 0 0 400.522 5.131 50 0 HKAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020573159 522430953 /nfs/dbraw/zinc/43/09/53/522430953.db2.gz HTFVZBKPQHAPMW-MRXNPFEDSA-N 0 0 415.942 6.447 50 0 HKAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020573161 522041355 /nfs/dbraw/zinc/04/13/55/522041355.db2.gz HTFVZBKPQHAPMW-INIZCTEOSA-N 0 0 415.942 6.447 50 0 HKAARN CCN(CCCNc1ncnc2onc(-c3ccc(F)cc3)c21)c1cccc(C)c1 ZINC000020574441 521025288 /nfs/dbraw/zinc/02/52/88/521025288.db2.gz VLJDBVGVPHEJCX-UHFFFAOYSA-N 0 0 405.477 5.061 50 0 HKAARN CSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578167 525343504 /nfs/dbraw/zinc/34/35/04/525343504.db2.gz OKCXICDZWMCBAL-UHFFFAOYSA-N 0 0 424.545 5.031 50 0 HKAARN CSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578361 525342643 /nfs/dbraw/zinc/34/26/43/525342643.db2.gz AKMWDMSHOOFAPU-UHFFFAOYSA-N 0 0 420.582 5.200 50 0 HKAARN CSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000020578386 525342953 /nfs/dbraw/zinc/34/29/53/525342953.db2.gz IEYJHLXLXIIGES-UHFFFAOYSA-N 0 0 420.582 5.200 50 0 HKAARN COc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000020578991 526201162 /nfs/dbraw/zinc/20/11/62/526201162.db2.gz AHVXOMOGGXGATI-UHFFFAOYSA-N 0 0 420.900 5.260 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000020579003 527536018 /nfs/dbraw/zinc/53/60/18/527536018.db2.gz XRJKAYCLNRLCAJ-UHFFFAOYSA-N 0 0 418.928 5.868 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000020579006 527535616 /nfs/dbraw/zinc/53/56/16/527535616.db2.gz SPSBQVJBLKXCSK-UHFFFAOYSA-N 0 0 418.928 5.868 50 0 HKAARN CCc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000020579009 521906516 /nfs/dbraw/zinc/90/65/16/521906516.db2.gz NVILFEHRCMLBSO-UHFFFAOYSA-N 0 0 418.928 5.814 50 0 HKAARN CCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000020579012 523991042 /nfs/dbraw/zinc/99/10/42/523991042.db2.gz MAPGFULWOQVCDO-UHFFFAOYSA-N 0 0 418.928 5.814 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000020579015 527536128 /nfs/dbraw/zinc/53/61/28/527536128.db2.gz YPBSEAPTVDSCHP-UHFFFAOYSA-N 0 0 408.864 5.391 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000020579021 527535820 /nfs/dbraw/zinc/53/58/20/527535820.db2.gz YGFSVHIKYRRJKS-UHFFFAOYSA-N 0 0 418.928 5.238 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccccc3C)c12 ZINC000020579030 527535673 /nfs/dbraw/zinc/53/56/73/527535673.db2.gz CYKMCICNBOZXDY-UHFFFAOYSA-N 0 0 404.901 5.560 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000020579033 527536086 /nfs/dbraw/zinc/53/60/86/527536086.db2.gz GCXLLWXCSNPIIL-UHFFFAOYSA-N 0 0 418.928 5.868 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000020579036 527535654 /nfs/dbraw/zinc/53/56/54/527535654.db2.gz AADDWXZZWFELPZ-UHFFFAOYSA-N 0 0 418.928 5.868 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000020579046 527535929 /nfs/dbraw/zinc/53/59/29/527535929.db2.gz BEYZKWMIUSRQOR-UHFFFAOYSA-N 0 0 418.928 5.868 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCc3ccc(F)cc3)c12 ZINC000020579055 527536028 /nfs/dbraw/zinc/53/60/28/527536028.db2.gz UQMLIAFKXNIXHX-UHFFFAOYSA-N 0 0 422.891 5.068 50 0 HKAARN CCc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000020579061 521767127 /nfs/dbraw/zinc/76/71/27/521767127.db2.gz JHHNWCASDIULEK-UHFFFAOYSA-N 0 0 418.928 5.814 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000020579084 527535862 /nfs/dbraw/zinc/53/58/62/527535862.db2.gz PUEHIDMYYVZMNE-UHFFFAOYSA-N 0 0 422.960 5.619 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(F)cc3C)c12 ZINC000020579093 527536110 /nfs/dbraw/zinc/53/61/10/527536110.db2.gz DWILITNZBSFRAO-UHFFFAOYSA-N 0 0 422.891 5.699 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000020579110 527535741 /nfs/dbraw/zinc/53/57/41/527535741.db2.gz AMCDADYQBVCJAU-UHFFFAOYSA-N 0 0 404.901 5.560 50 0 HKAARN COc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(Cl)c1C ZINC000020579122 524626071 /nfs/dbraw/zinc/62/60/71/524626071.db2.gz JEJGFNZKBPAISX-UHFFFAOYSA-N 0 0 420.900 5.260 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000020579174 527524005 /nfs/dbraw/zinc/52/40/05/527524005.db2.gz VHRADKTZVYMWQE-UHFFFAOYSA-N 0 0 424.426 5.617 50 0 HKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1C ZINC000020580426 526449738 /nfs/dbraw/zinc/44/97/38/526449738.db2.gz RTRPWYZLPCLJGF-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN CCCC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000020581698 519878422 /nfs/dbraw/zinc/87/84/22/519878422.db2.gz MATYALUORKVQOI-UHFFFAOYSA-N 0 0 401.293 6.138 50 0 HKAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020594997 521363459 /nfs/dbraw/zinc/36/34/59/521363459.db2.gz DBTJIKWMEMMHHZ-UHFFFAOYSA-N 0 0 421.932 5.295 50 0 HKAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020595005 521364238 /nfs/dbraw/zinc/36/42/38/521364238.db2.gz VNQSOWSJVSYWLX-UHFFFAOYSA-N 0 0 421.932 5.295 50 0 HKAARN CCCSc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000020595756 520567822 /nfs/dbraw/zinc/56/78/22/520567822.db2.gz ZPBOFTBOEPSVSC-UHFFFAOYSA-N 0 0 403.960 5.537 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)o1 ZINC000020597643 524559127 /nfs/dbraw/zinc/55/91/27/524559127.db2.gz PFACTRURPRGGBN-UHFFFAOYSA-N 0 0 417.490 5.419 50 0 HKAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000020597750 525652414 /nfs/dbraw/zinc/65/24/14/525652414.db2.gz SGLAIXZHCKMONB-ZFGQVMFLSA-N 0 0 418.606 6.335 50 0 HKAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000020597751 525652764 /nfs/dbraw/zinc/65/27/64/525652764.db2.gz SGLAIXZHCKMONB-BALBBAFXSA-N 0 0 418.606 6.335 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cnn(C(C)C)c2)c(F)c1 ZINC000020599016 524038898 /nfs/dbraw/zinc/03/88/98/524038898.db2.gz RNHXNUDSLCTLPZ-VWLOTQADSA-N 0 0 418.516 5.241 50 0 HKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cnn(C(C)C)c2)c(F)c1 ZINC000020599017 524039087 /nfs/dbraw/zinc/03/90/87/524039087.db2.gz RNHXNUDSLCTLPZ-RUZDIDTESA-N 0 0 418.516 5.241 50 0 HKAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000020599503 527667253 /nfs/dbraw/zinc/66/72/53/527667253.db2.gz FJRATHPFRMQXCB-QFIPXVFZSA-N 0 0 408.908 5.150 50 0 HKAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000020599504 527667263 /nfs/dbraw/zinc/66/72/63/527667263.db2.gz FJRATHPFRMQXCB-JOCHJYFZSA-N 0 0 408.908 5.150 50 0 HKAARN Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)s1 ZINC000020600257 526320863 /nfs/dbraw/zinc/32/08/63/526320863.db2.gz VGVYGAFZVMURBG-UHFFFAOYSA-N 0 0 409.518 5.487 50 0 HKAARN Cc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2nc(C)cc(C(F)(F)F)c12 ZINC000020602187 526268470 /nfs/dbraw/zinc/26/84/70/526268470.db2.gz PPSXRKGKRXYJMM-UHFFFAOYSA-N 0 0 417.218 5.012 50 0 HKAARN Cc1nn(CC(=O)Nc2c(Cl)cccc2Cl)c2nc(C)cc(C(F)(F)F)c12 ZINC000020602188 526268705 /nfs/dbraw/zinc/26/87/05/526268705.db2.gz VKEDCOXHRRXJAJ-UHFFFAOYSA-N 0 0 417.218 5.012 50 0 HKAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)F ZINC000020602563 520920649 /nfs/dbraw/zinc/92/06/49/520920649.db2.gz CKJZNFFVAVKTJF-UHFFFAOYSA-N 0 0 414.239 5.214 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020602759 526293745 /nfs/dbraw/zinc/29/37/45/526293745.db2.gz UXLCAHGLZNJMSK-UHFFFAOYSA-N 0 0 401.819 6.185 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)cc1 ZINC000020602763 523106141 /nfs/dbraw/zinc/10/61/41/523106141.db2.gz LMWIABDHBRGBNQ-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)cc1 ZINC000020602764 523854172 /nfs/dbraw/zinc/85/41/72/523854172.db2.gz DPYMMEZHCXXVEZ-UHFFFAOYSA-N 0 0 411.883 6.608 50 0 HKAARN Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(Cc3cccc(Cl)c3)c2n1 ZINC000020602765 527688602 /nfs/dbraw/zinc/68/86/02/527688602.db2.gz JJGMSQREFPFHSQ-UHFFFAOYSA-N 0 0 401.848 5.088 50 0 HKAARN CCn1ncc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)c1C ZINC000020602767 523685477 /nfs/dbraw/zinc/68/54/77/523685477.db2.gz XLBIGKVJUQRZPH-UHFFFAOYSA-N 0 0 415.875 5.571 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)c(C)n1 ZINC000020602768 523300170 /nfs/dbraw/zinc/30/01/70/523300170.db2.gz LECJQIALAAYMJX-UHFFFAOYSA-N 0 0 415.875 5.571 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)cn1 ZINC000020602770 523299780 /nfs/dbraw/zinc/29/97/80/523299780.db2.gz QSJAOVYQRFDJRZ-UHFFFAOYSA-N 0 0 401.848 5.262 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12 ZINC000020602824 526293841 /nfs/dbraw/zinc/29/38/41/526293841.db2.gz GQRPHYCXZNBVGP-UHFFFAOYSA-N 0 0 401.848 5.088 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)s1 ZINC000020602826 525732552 /nfs/dbraw/zinc/73/25/52/525732552.db2.gz SGHDOSNTQGPFCY-UHFFFAOYSA-N 0 0 403.885 6.416 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc4c(c2)OCO4)cc3C(F)F)cc1 ZINC000020602850 523345402 /nfs/dbraw/zinc/34/54/02/523345402.db2.gz FHIIHKJAZDCHKN-UHFFFAOYSA-N 0 0 409.392 5.071 50 0 HKAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCc3ccccc32)c(Cl)c1 ZINC000020602856 526365706 /nfs/dbraw/zinc/36/57/06/526365706.db2.gz RCYDPEJRIWAGJC-OAQYLSRUSA-N 0 0 405.860 5.681 50 0 HKAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCc3ccccc32)c(Cl)c1 ZINC000020602858 526363679 /nfs/dbraw/zinc/36/36/79/526363679.db2.gz RCYDPEJRIWAGJC-NRFANRHFSA-N 0 0 405.860 5.681 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccc(OC)c2)cc3C(F)F)cc1 ZINC000020602864 523348106 /nfs/dbraw/zinc/34/81/06/523348106.db2.gz CUNDNYLGNBNVPK-UHFFFAOYSA-N 0 0 421.447 5.920 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(C)s2)cc3C(F)F)cc1 ZINC000020602868 523347284 /nfs/dbraw/zinc/34/72/84/523347284.db2.gz LSGNSOMLQKLXRA-UHFFFAOYSA-N 0 0 411.477 6.281 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000020602870 523347402 /nfs/dbraw/zinc/34/74/02/523347402.db2.gz OCRXHDJOHIAANJ-UHFFFAOYSA-N 0 0 405.448 6.220 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020602881 523854576 /nfs/dbraw/zinc/85/45/76/523854576.db2.gz FBYMHIFSVFOVCM-UHFFFAOYSA-N 0 0 407.439 6.604 50 0 HKAARN CCOc1ccccc1-n1c2nc(-c3ccco3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602899 521446772 /nfs/dbraw/zinc/44/67/72/521446772.db2.gz SFWKDSYUTMWMBJ-UHFFFAOYSA-N 0 0 415.421 5.040 50 0 HKAARN COc1ccccc1-n1c2nc(-c3ccccc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602903 524302547 /nfs/dbraw/zinc/30/25/47/524302547.db2.gz RZIBKYMTXASUFG-UHFFFAOYSA-N 0 0 411.433 5.056 50 0 HKAARN COc1ccccc1-n1c2nc(-c3cccs3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020602933 524301788 /nfs/dbraw/zinc/30/17/88/524301788.db2.gz AUMVXUNNDDPJEK-UHFFFAOYSA-N 0 0 417.462 5.118 50 0 HKAARN COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)c1 ZINC000020602955 525705549 /nfs/dbraw/zinc/70/55/49/525705549.db2.gz SEWLOVRBIAGHDZ-UHFFFAOYSA-N 0 0 409.411 6.050 50 0 HKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(Cl)cc2)cc3C(F)F)cc1 ZINC000020602957 526321009 /nfs/dbraw/zinc/32/10/09/526321009.db2.gz DKCAYGYIBPEAMN-UHFFFAOYSA-N 0 0 413.830 6.695 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)c(C)n1 ZINC000020602970 523299768 /nfs/dbraw/zinc/29/97/68/523299768.db2.gz KTWMQUZTSLZHKH-UHFFFAOYSA-N 0 0 411.431 5.566 50 0 HKAARN COc1ccccc1-c1cc(C(F)F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000020602972 524267736 /nfs/dbraw/zinc/26/77/36/524267736.db2.gz UTHSWXUVOFAOIQ-UHFFFAOYSA-N 0 0 409.411 6.050 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)cn1 ZINC000020602977 523299763 /nfs/dbraw/zinc/29/97/63/523299763.db2.gz OCFVIKSTWAJENO-UHFFFAOYSA-N 0 0 409.440 5.128 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(F)cc2)cc3C(F)F)cc1 ZINC000020602983 523348166 /nfs/dbraw/zinc/34/81/66/523348166.db2.gz JSRXZAAULTXFHM-UHFFFAOYSA-N 0 0 409.411 6.050 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020602987 523106710 /nfs/dbraw/zinc/10/67/10/523106710.db2.gz MENKBXNBIACTBC-UHFFFAOYSA-N 0 0 421.447 5.920 50 0 HKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc4c(c2)OCO4)cc3C(F)F)cc1 ZINC000020602994 526321857 /nfs/dbraw/zinc/32/18/57/526321857.db2.gz BWPKZHACZHJVNL-UHFFFAOYSA-N 0 0 423.394 5.770 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(C)c(C)c2)cc3C(F)F)cc1 ZINC000020603010 523348403 /nfs/dbraw/zinc/34/84/03/523348403.db2.gz YEMRYQWZLBGBED-UHFFFAOYSA-N 0 0 419.475 6.528 50 0 HKAARN Fc1ccccc1-n1ncc2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000020603090 526406647 /nfs/dbraw/zinc/40/66/47/526406647.db2.gz FHWBQLXVTMRMAZ-UHFFFAOYSA-N 0 0 418.216 5.927 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc(Br)cc2)cc3C(F)F)cc1 ZINC000020603126 526320837 /nfs/dbraw/zinc/32/08/37/526320837.db2.gz XWBDEPAQMHHJKK-UHFFFAOYSA-N 0 0 418.216 5.927 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020603136 526293632 /nfs/dbraw/zinc/29/36/32/526293632.db2.gz CBASDRGVCIHFHL-UHFFFAOYSA-N 0 0 411.883 6.663 50 0 HKAARN COc1cccc(-c2cc(C(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)c1 ZINC000020603138 525705369 /nfs/dbraw/zinc/70/53/69/525705369.db2.gz WHUNXLDIUSZUOO-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cc1OC ZINC000020603148 523107282 /nfs/dbraw/zinc/10/72/82/523107282.db2.gz LAXRHXQFFFUWRW-UHFFFAOYSA-N 0 0 423.463 5.718 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020603179 523853918 /nfs/dbraw/zinc/85/39/18/523853918.db2.gz CUYHSNLITDDFOE-UHFFFAOYSA-N 0 0 419.475 6.474 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020603183 523106558 /nfs/dbraw/zinc/10/65/58/523106558.db2.gz KVLIOMYMVQPXJO-UHFFFAOYSA-N 0 0 411.427 6.296 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C3CCCC3)c2n1 ZINC000020603389 524267748 /nfs/dbraw/zinc/26/77/48/524267748.db2.gz LQUNCGSAOLYIMF-UHFFFAOYSA-N 0 0 421.444 5.264 50 0 HKAARN CC(C)n1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603439 519929577 /nfs/dbraw/zinc/92/95/77/519929577.db2.gz NDINHNRJEPUPFT-UHFFFAOYSA-N 0 0 416.280 5.946 50 0 HKAARN CC(C)n1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603445 519930001 /nfs/dbraw/zinc/93/00/01/519930001.db2.gz VTPZPNDSFVDYGC-UHFFFAOYSA-N 0 0 405.514 5.440 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1C ZINC000020603467 525732529 /nfs/dbraw/zinc/73/25/29/525732529.db2.gz JBVDAAUBOVCHOK-UHFFFAOYSA-N 0 0 401.482 5.791 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1 ZINC000020603477 523106660 /nfs/dbraw/zinc/10/66/60/523106660.db2.gz AZAZFPUFORIACY-UHFFFAOYSA-N 0 0 403.454 5.182 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1 ZINC000020603492 523854602 /nfs/dbraw/zinc/85/46/02/523854602.db2.gz FKMLXELKUWBKST-UHFFFAOYSA-N 0 0 401.482 5.736 50 0 HKAARN Cc1nn(-c2ccccc2F)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020603507 527566593 /nfs/dbraw/zinc/56/65/93/527566593.db2.gz KIXNPDOXWQWFBH-UHFFFAOYSA-N 0 0 411.471 6.273 50 0 HKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020603510 527565744 /nfs/dbraw/zinc/56/57/44/527565744.db2.gz SEGBFMMHKGTAQO-UHFFFAOYSA-N 0 0 422.237 6.779 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020603541 527436830 /nfs/dbraw/zinc/43/68/30/527436830.db2.gz LPXJWZFSQWUIAE-UHFFFAOYSA-N 0 0 424.270 5.156 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020603572 527436087 /nfs/dbraw/zinc/43/60/87/527436087.db2.gz NUPRCIXZZMKQTC-UHFFFAOYSA-N 0 0 403.498 5.194 50 0 HKAARN CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)c1C ZINC000020603616 523687999 /nfs/dbraw/zinc/68/79/99/523687999.db2.gz PAIISMYJSMIHRU-UHFFFAOYSA-N 0 0 411.431 5.566 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)s1 ZINC000020603619 525732417 /nfs/dbraw/zinc/73/24/17/525732417.db2.gz LMORKIWWRAHTHV-UHFFFAOYSA-N 0 0 401.457 6.658 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(Cl)cc1)cc2C(F)F ZINC000020603621 520921079 /nfs/dbraw/zinc/92/10/79/520921079.db2.gz VQIMWCWUPVLELS-UHFFFAOYSA-N 0 0 405.832 5.130 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020603626 523107033 /nfs/dbraw/zinc/10/70/33/523107033.db2.gz WFSPCWLFZVODNG-UHFFFAOYSA-N 0 0 409.411 6.050 50 0 HKAARN CC(C)(C)c1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1 ZINC000020603759 519007799 /nfs/dbraw/zinc/00/77/99/519007799.db2.gz JBFLSAXYHPKKPG-UHFFFAOYSA-N 0 0 419.472 5.772 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 ZINC000020603762 527436689 /nfs/dbraw/zinc/43/66/89/527436689.db2.gz JGECESVHPVRIIW-UHFFFAOYSA-N 0 0 413.424 5.628 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)s1 ZINC000020603792 525729306 /nfs/dbraw/zinc/72/93/06/525729306.db2.gz CLARZBGUMHXSGG-UHFFFAOYSA-N 0 0 411.474 5.625 50 0 HKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)c1 ZINC000020603803 525704783 /nfs/dbraw/zinc/70/47/83/525704783.db2.gz VYGVNDBXHHHMAQ-UHFFFAOYSA-N 0 0 421.444 5.264 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1 ZINC000020603825 523103860 /nfs/dbraw/zinc/10/38/60/523103860.db2.gz KIZNTOKBDGMBDA-UHFFFAOYSA-N 0 0 421.444 5.264 50 0 HKAARN COc1cccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)c1 ZINC000020603906 558386266 /nfs/dbraw/zinc/38/62/66/558386266.db2.gz LBITZDVPOPKOGG-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12 ZINC000020603909 558386215 /nfs/dbraw/zinc/38/62/15/558386215.db2.gz MPRJAPBHAFHRPH-UHFFFAOYSA-N 0 0 401.848 5.088 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cc1 ZINC000020603915 558386273 /nfs/dbraw/zinc/38/62/73/558386273.db2.gz VPKYDWIJEAKXBR-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)s1 ZINC000020603917 558386535 /nfs/dbraw/zinc/38/65/35/558386535.db2.gz UAUDOSYTTODXLU-UHFFFAOYSA-N 0 0 403.885 6.416 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cc1 ZINC000020603919 558386471 /nfs/dbraw/zinc/38/64/71/558386471.db2.gz FGYXWNHBNFIIIT-UHFFFAOYSA-N 0 0 411.883 6.608 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cn1 ZINC000020603922 558386476 /nfs/dbraw/zinc/38/64/76/558386476.db2.gz YSPUAKGTWKDJMP-UHFFFAOYSA-N 0 0 401.848 5.262 50 0 HKAARN Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000020603924 558386521 /nfs/dbraw/zinc/38/65/21/558386521.db2.gz OXFNNIGPDFLLDC-UHFFFAOYSA-N 0 0 401.848 5.088 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)c(C)n1 ZINC000020603926 558386464 /nfs/dbraw/zinc/38/64/64/558386464.db2.gz LXPHCDVFSUMPRT-UHFFFAOYSA-N 0 0 415.875 5.571 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020603934 558386439 /nfs/dbraw/zinc/38/64/39/558386439.db2.gz JJQQBJDTWYXEDD-UHFFFAOYSA-N 0 0 411.883 6.663 50 0 HKAARN CC[C@@H](C)n1c2nc(-c3cccc4ccccc43)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603960 558386467 /nfs/dbraw/zinc/38/64/67/558386467.db2.gz BZXLNIHGLCTQSE-GFCCVEGCSA-N 0 0 411.477 6.183 50 0 HKAARN CC[C@H](C)n1c2nc(-c3cccc4ccccc43)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603963 558386455 /nfs/dbraw/zinc/38/64/55/558386455.db2.gz BZXLNIHGLCTQSE-LBPRGKRZSA-N 0 0 411.477 6.183 50 0 HKAARN COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)c1 ZINC000020603965 558386505 /nfs/dbraw/zinc/38/65/05/558386505.db2.gz MKQDMPMHVHGAHI-UHFFFAOYSA-N 0 0 403.454 5.182 50 0 HKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020603990 558386446 /nfs/dbraw/zinc/38/64/46/558386446.db2.gz IBOMKMSWULQNEA-UHFFFAOYSA-N 0 0 423.488 6.327 50 0 HKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020603993 558386459 /nfs/dbraw/zinc/38/64/59/558386459.db2.gz FCCOREULQVFKAW-UHFFFAOYSA-N 0 0 407.873 5.827 50 0 HKAARN CC[C@@H](C)n1c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604024 558386484 /nfs/dbraw/zinc/38/64/84/558386484.db2.gz DWHJGMPNPBGVKD-SNVBAGLBSA-N 0 0 409.433 5.119 50 0 HKAARN CC[C@H](C)n1c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604026 558386525 /nfs/dbraw/zinc/38/65/25/558386525.db2.gz DWHJGMPNPBGVKD-JTQLQIEISA-N 0 0 409.433 5.119 50 0 HKAARN CC[C@@H](C)n1c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604057 558386480 /nfs/dbraw/zinc/38/64/80/558386480.db2.gz HDSHLTBGFLEJIX-SNVBAGLBSA-N 0 0 409.433 5.119 50 0 HKAARN CC[C@H](C)n1c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604060 558386515 /nfs/dbraw/zinc/38/65/15/558386515.db2.gz HDSHLTBGFLEJIX-JTQLQIEISA-N 0 0 409.433 5.119 50 0 HKAARN CC[C@@H](C)n1c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604063 558386512 /nfs/dbraw/zinc/38/65/12/558386512.db2.gz MLKVYBYITNEZLL-SECBINFHSA-N 0 0 413.852 5.764 50 0 HKAARN CC[C@H](C)n1c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604066 558386473 /nfs/dbraw/zinc/38/64/73/558386473.db2.gz MLKVYBYITNEZLL-VIFPVBQESA-N 0 0 413.852 5.764 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@H](C)CC)c3n2)s1 ZINC000020604068 558386530 /nfs/dbraw/zinc/38/65/30/558386530.db2.gz VYRGBAVSOWRBJS-SECBINFHSA-N 0 0 413.490 5.735 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@@H](C)CC)c3n2)s1 ZINC000020604071 558386450 /nfs/dbraw/zinc/38/64/50/558386450.db2.gz VYRGBAVSOWRBJS-VIFPVBQESA-N 0 0 413.490 5.735 50 0 HKAARN COc1cccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)c1 ZINC000020604116 560885805 /nfs/dbraw/zinc/88/58/05/560885805.db2.gz FIIKKWYMHKKASA-UHFFFAOYSA-N 0 0 411.427 6.296 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cc1C ZINC000020604118 558386508 /nfs/dbraw/zinc/38/65/08/558386508.db2.gz GAAXLLSFJZRSFJ-UHFFFAOYSA-N 0 0 409.455 6.904 50 0 HKAARN COc1ccccc1-c1cc(C(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000020604138 558386443 /nfs/dbraw/zinc/38/64/43/558386443.db2.gz QXNMBIZWSXYXIS-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc(Cl)c(Cl)c2)cc3C(F)F)cc1 ZINC000020604206 558386428 /nfs/dbraw/zinc/38/64/28/558386428.db2.gz UITHZIHBRDOGNT-UHFFFAOYSA-N 0 0 408.210 6.471 50 0 HKAARN Cc1ccc(C)c(-n2c3nc(-c4ccccc4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604214 560885826 /nfs/dbraw/zinc/88/58/26/560885826.db2.gz IPUCCVZBXKZVQJ-UHFFFAOYSA-N 0 0 409.461 5.665 50 0 HKAARN Cc1ccc(C)c(-n2c3nc(-c4cccs4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604228 558386418 /nfs/dbraw/zinc/38/64/18/558386418.db2.gz MFLCLAAYLNSJDI-UHFFFAOYSA-N 0 0 415.490 5.726 50 0 HKAARN CC[C@@H](C)n1c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604234 558386482 /nfs/dbraw/zinc/38/64/82/558386482.db2.gz QHLLUAFIMJXKAF-SNVBAGLBSA-N 0 0 421.469 5.047 50 0 HKAARN CC[C@H](C)n1c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604236 558386542 /nfs/dbraw/zinc/38/65/42/558386542.db2.gz QHLLUAFIMJXKAF-JTQLQIEISA-N 0 0 421.469 5.047 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1OC ZINC000020604242 558386494 /nfs/dbraw/zinc/38/64/94/558386494.db2.gz MSZONBBSMQYDFH-UHFFFAOYSA-N 0 0 413.399 5.490 50 0 HKAARN CC(C)n1c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604308 558386860 /nfs/dbraw/zinc/38/68/60/558386860.db2.gz JTYBXMUAQIJYAI-UHFFFAOYSA-N 0 0 421.488 6.018 50 0 HKAARN O=c1c2cc(Br)ccc2scc1N1CCC(Cc2ccccc2)CC1 ZINC000020604334 132470280 /nfs/dbraw/zinc/47/02/80/132470280.db2.gz QPSSZBHCCYINJU-UHFFFAOYSA-N 0 0 414.368 5.483 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccs2)cc3C(F)(F)F)cc1 ZINC000020604353 558386854 /nfs/dbraw/zinc/38/68/54/558386854.db2.gz CAJJAMJLXQWWMM-UHFFFAOYSA-N 0 0 415.440 6.054 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000020604358 558386813 /nfs/dbraw/zinc/38/68/13/558386813.db2.gz MNDANWVNSAMELQ-UHFFFAOYSA-N 0 0 409.411 5.992 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020604371 558386782 /nfs/dbraw/zinc/38/67/82/558386782.db2.gz TZZHZIHZJAZCHD-UHFFFAOYSA-N 0 0 419.838 5.169 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020604373 558386862 /nfs/dbraw/zinc/38/68/62/558386862.db2.gz NAOAKEYFANBGLI-UHFFFAOYSA-N 0 0 417.818 5.833 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(C24CC5CC(CC(C5)C2)C4)cc3C(F)(F)F)cc1 ZINC000020604384 558386865 /nfs/dbraw/zinc/38/68/65/558386865.db2.gz COISIMWHGWZHFF-UHFFFAOYSA-N 0 0 415.434 6.046 50 0 HKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 ZINC000020604386 558386834 /nfs/dbraw/zinc/38/68/34/558386834.db2.gz ONCRSENSYNBXJC-UHFFFAOYSA-N 0 0 403.383 5.102 50 0 HKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020604389 558386820 /nfs/dbraw/zinc/38/68/20/558386820.db2.gz HCEIUBILOUWYKL-UHFFFAOYSA-N 0 0 403.383 5.102 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)s1 ZINC000020604471 558386849 /nfs/dbraw/zinc/38/68/49/558386849.db2.gz VFIKMOGRJLMTLC-UHFFFAOYSA-N 0 0 421.875 6.497 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020604488 558386874 /nfs/dbraw/zinc/38/68/74/558386874.db2.gz MGFZDSGELUDBPC-UHFFFAOYSA-N 0 0 411.471 6.273 50 0 HKAARN Cc1cccc(-n2c3nc(-c4cccs4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604498 558386809 /nfs/dbraw/zinc/38/68/09/558386809.db2.gz RUSUBJFBYHUXRL-UHFFFAOYSA-N 0 0 401.463 5.418 50 0 HKAARN Cc1cccc(-n2c3nc(-c4ccc(F)cc4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604509 558386806 /nfs/dbraw/zinc/38/68/06/558386806.db2.gz RDRUIEQYOTYVSL-UHFFFAOYSA-N 0 0 413.424 5.495 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(CC)s1)cc2C(F)(F)F ZINC000020604557 558387034 /nfs/dbraw/zinc/38/70/34/558387034.db2.gz REJQDKXJJMTYKL-UHFFFAOYSA-N 0 0 423.460 5.182 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(Cl)cc4)c3n2)s1 ZINC000020604600 558386993 /nfs/dbraw/zinc/38/69/93/558386993.db2.gz HJTPDJZAVPQQIH-UHFFFAOYSA-N 0 0 421.875 6.497 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020604602 558386980 /nfs/dbraw/zinc/38/69/80/558386980.db2.gz QGZCVBFVSVMLKB-UHFFFAOYSA-N 0 0 407.848 6.189 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(Cl)cc2)cc3C(F)(F)F)cc1 ZINC000020604656 558387002 /nfs/dbraw/zinc/38/70/02/558387002.db2.gz PAAIOOSHTLYKEB-UHFFFAOYSA-N 0 0 417.818 6.077 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(C)c(C)c2)cc3C(F)(F)F)cc1 ZINC000020604658 558387008 /nfs/dbraw/zinc/38/70/08/558387008.db2.gz LMEIHKMQHRPNAC-UHFFFAOYSA-N 0 0 411.427 6.040 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020604663 558387005 /nfs/dbraw/zinc/38/70/05/558387005.db2.gz MGPXGPIHQBBDOO-UHFFFAOYSA-N 0 0 413.399 5.432 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)s1 ZINC000020604666 558386998 /nfs/dbraw/zinc/38/69/98/558386998.db2.gz GGMPYCQFGGGTCB-UHFFFAOYSA-N 0 0 417.456 6.047 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(C)s2)cc3C(F)(F)F)cc1 ZINC000020604667 558386968 /nfs/dbraw/zinc/38/69/68/558386968.db2.gz BACGZQJHAJABLM-UHFFFAOYSA-N 0 0 403.429 5.793 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(Cl)s2)cc3C(F)(F)F)cc1 ZINC000020604669 558386991 /nfs/dbraw/zinc/38/69/91/558386991.db2.gz WYTHTHYIOFFDBI-UHFFFAOYSA-N 0 0 423.847 6.138 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)cc1 ZINC000020604677 558386995 /nfs/dbraw/zinc/38/69/95/558386995.db2.gz PFXZHOLDGXBOKB-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2cccc(OC)c2)cc3C(F)(F)F)cc1 ZINC000020604688 558386988 /nfs/dbraw/zinc/38/69/88/558386988.db2.gz GHJLTKJPJCLUKZ-UHFFFAOYSA-N 0 0 413.399 5.432 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccccc2OC)cc3C(F)(F)F)cc1 ZINC000020604691 558387017 /nfs/dbraw/zinc/38/70/17/558387017.db2.gz SSMZMWHOQVSIEJ-UHFFFAOYSA-N 0 0 413.399 5.432 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000020604717 558387027 /nfs/dbraw/zinc/38/70/27/558387027.db2.gz XIJIAQVGIWSUKQ-UHFFFAOYSA-N 0 0 423.822 5.211 50 0 HKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1 ZINC000020604720 558386978 /nfs/dbraw/zinc/38/69/78/558386978.db2.gz IJXFLHKAQUTDKH-UHFFFAOYSA-N 0 0 417.362 5.263 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc4c(c2)OCCO4)cc3C(F)(F)F)cc1 ZINC000020604752 558387021 /nfs/dbraw/zinc/38/70/21/558387021.db2.gz QMSZZCZTFBDMPB-UHFFFAOYSA-N 0 0 415.346 5.017 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(-c2cccc(OC(F)F)c2)cc3C(F)(F)F)cc1 ZINC000020604758 558386974 /nfs/dbraw/zinc/38/69/74/558386974.db2.gz LCRMZOJRTPEPJZ-UHFFFAOYSA-N 0 0 423.316 5.847 50 0 HKAARN Cc1cccc(-n2c3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604766 558387024 /nfs/dbraw/zinc/38/70/24/558387024.db2.gz RYYJNSIWTNDTDC-UHFFFAOYSA-N 0 0 419.453 5.499 50 0 HKAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)cn1 ZINC000020604789 558387037 /nfs/dbraw/zinc/38/70/37/558387037.db2.gz DSWHFNGJMSRFMU-UHFFFAOYSA-N 0 0 419.838 5.344 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3F)c2n1 ZINC000020604823 558387012 /nfs/dbraw/zinc/38/70/12/558387012.db2.gz ZTIIULFDSDPQCT-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020604825 558387280 /nfs/dbraw/zinc/38/72/80/558387280.db2.gz PEBAINPRUVIANU-UHFFFAOYSA-N 0 0 407.848 6.189 50 0 HKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1 ZINC000020604832 558387327 /nfs/dbraw/zinc/38/73/27/558387327.db2.gz GXZKSAJKIPLZMD-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)s1 ZINC000020604843 558387264 /nfs/dbraw/zinc/38/72/64/558387264.db2.gz PNZLWRLLPCTMEJ-UHFFFAOYSA-N 0 0 421.875 6.497 50 0 HKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1C ZINC000020604846 558387295 /nfs/dbraw/zinc/38/72/95/558387295.db2.gz GKVLFNFGSARQMT-UHFFFAOYSA-N 0 0 403.383 5.079 50 0 HKAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(C(C)(C)C)cc1)cc2C(F)(F)F ZINC000020604905 558387331 /nfs/dbraw/zinc/38/73/31/558387331.db2.gz LYKMHNIWGCAQPM-UHFFFAOYSA-N 0 0 419.447 5.286 50 0 HKAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc3ccccc3c1)cc2C(F)(F)F ZINC000020604908 558387240 /nfs/dbraw/zinc/38/72/40/558387240.db2.gz CIVSWURTKFRNDO-UHFFFAOYSA-N 0 0 413.399 5.142 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000020604986 558387277 /nfs/dbraw/zinc/38/72/77/558387277.db2.gz PCGQDSDUUMETAP-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1 ZINC000020604987 558387275 /nfs/dbraw/zinc/38/72/75/558387275.db2.gz FYRNZNQXUVJDPX-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)s1 ZINC000020605004 558387272 /nfs/dbraw/zinc/38/72/72/558387272.db2.gz FIEGKGRELVFZLC-UHFFFAOYSA-N 0 0 405.420 6.178 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020605007 558387236 /nfs/dbraw/zinc/38/72/36/558387236.db2.gz KXCPFILLHKVVPG-UHFFFAOYSA-N 0 0 411.811 6.269 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C)c(C)c1)cc2C(F)(F)F ZINC000020605067 558387252 /nfs/dbraw/zinc/38/72/52/558387252.db2.gz ZFAPROYXNWAJFQ-UHFFFAOYSA-N 0 0 417.431 5.174 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020605252 558387227 /nfs/dbraw/zinc/38/72/27/558387227.db2.gz WMQCQNBRLHBKEN-UHFFFAOYSA-N 0 0 417.818 5.833 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020605253 558387317 /nfs/dbraw/zinc/38/73/17/558387317.db2.gz LNKUCSODQXKXOJ-UHFFFAOYSA-N 0 0 419.838 5.169 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020605256 558387305 /nfs/dbraw/zinc/38/73/05/558387305.db2.gz XSHUHBRQTJALIJ-UHFFFAOYSA-N 0 0 419.838 5.169 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020605258 558387312 /nfs/dbraw/zinc/38/73/12/558387312.db2.gz FPKCFSPJUYAQPM-UHFFFAOYSA-N 0 0 417.818 5.833 50 0 HKAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(Cl)cc4)c3n2)cn1 ZINC000020605261 558387315 /nfs/dbraw/zinc/38/73/15/558387315.db2.gz RAQBZJXOSBFYRC-UHFFFAOYSA-N 0 0 419.838 5.344 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc3c(c2)OCO3)s1 ZINC000020605268 558387557 /nfs/dbraw/zinc/38/75/57/558387557.db2.gz BLQQTFPQYXYYFS-UHFFFAOYSA-N 0 0 418.396 5.928 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc3c(c2)OCO3)cc1C ZINC000020605273 558387572 /nfs/dbraw/zinc/38/75/72/558387572.db2.gz KAJCFXQZXNTENQ-UHFFFAOYSA-N 0 0 412.367 5.921 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc3c(c2)OCO3)s1 ZINC000020605275 558387573 /nfs/dbraw/zinc/38/75/73/558387573.db2.gz HODFRLNJNXPGKD-UHFFFAOYSA-N 0 0 404.369 5.674 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020605334 558387574 /nfs/dbraw/zinc/38/75/74/558387574.db2.gz PBMSQYLNTZSPQM-UHFFFAOYSA-N 0 0 422.237 6.779 50 0 HKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020605344 558387559 /nfs/dbraw/zinc/38/75/59/558387559.db2.gz MEPYIJUSSRUJAP-UHFFFAOYSA-N 0 0 405.420 6.430 50 0 HKAARN Fc1ccccc1-n1ncc2c1nc(-c1ccc(OC(F)F)cc1)cc2C(F)(F)F ZINC000020605351 558387563 /nfs/dbraw/zinc/38/75/63/558387563.db2.gz XWQYYNHISDSGSS-UHFFFAOYSA-N 0 0 423.316 5.847 50 0 HKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)c1 ZINC000020605364 558387577 /nfs/dbraw/zinc/38/75/77/558387577.db2.gz LQKMUGORHUWXPA-UHFFFAOYSA-N 0 0 417.362 5.263 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cc1 ZINC000020605404 558387568 /nfs/dbraw/zinc/38/75/68/558387568.db2.gz VMOMOZDNMGRJHU-UHFFFAOYSA-N 0 0 411.427 5.791 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)s1 ZINC000020605406 558387571 /nfs/dbraw/zinc/38/75/71/558387571.db2.gz VRPOHJBTRYPUQW-UHFFFAOYSA-N 0 0 401.457 6.152 50 0 HKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c1 ZINC000020605416 558387564 /nfs/dbraw/zinc/38/75/64/558387564.db2.gz XBALAUIKKQPLES-UHFFFAOYSA-N 0 0 411.427 5.791 50 0 HKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c1C ZINC000020605419 560885820 /nfs/dbraw/zinc/88/58/20/560885820.db2.gz XURWRAAXXLRZNK-UHFFFAOYSA-N 0 0 413.447 5.307 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1 ZINC000020605428 558387553 /nfs/dbraw/zinc/38/75/53/558387553.db2.gz CVBDEQYWAJVTHE-UHFFFAOYSA-N 0 0 411.427 5.791 50 0 HKAARN CCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605467 558387581 /nfs/dbraw/zinc/38/75/81/558387581.db2.gz XZVYSOFQGQHBPN-UHFFFAOYSA-N 0 0 402.253 5.385 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2onc(-c3ccc4c(c3)OCO4)c21 ZINC000020605563 558387580 /nfs/dbraw/zinc/38/75/80/558387580.db2.gz AZOQQGAQAZZNIZ-UHFFFAOYSA-N 0 0 424.787 6.019 50 0 HKAARN Oc1ccc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc3c(c2)OCO3)cc1 ZINC000020605574 558387576 /nfs/dbraw/zinc/38/75/76/558387576.db2.gz XBHIBERBSIXHOH-UHFFFAOYSA-N 0 0 400.312 5.010 50 0 HKAARN Cc1cccc(-n2c3nc(-c4cccs4)cc(C(F)F)c3c(=O)[nH]c2=S)c1C ZINC000020605595 558387682 /nfs/dbraw/zinc/38/76/82/558387682.db2.gz VDHAWYKKDFPSFD-UHFFFAOYSA-N 0 0 415.490 5.726 50 0 HKAARN CCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605691 558387747 /nfs/dbraw/zinc/38/77/47/558387747.db2.gz LPCNSJYFGDWGPP-UHFFFAOYSA-N 0 0 420.243 5.467 50 0 HKAARN COc1cc(-c2cc(C(F)(F)F)c3c(n2)onc3C2CC2)ccc1OC(F)F ZINC000020605795 558387765 /nfs/dbraw/zinc/38/77/65/558387765.db2.gz KRGCCBAGNPVXRT-UHFFFAOYSA-N 0 0 400.303 5.396 50 0 HKAARN CCCn1nc(C)c2c1nc(-c1ccc(OC(F)F)c(OC)c1)cc2C(F)(F)F ZINC000020605829 558387710 /nfs/dbraw/zinc/38/77/10/558387710.db2.gz KHKCGEKLVPNCDL-UHFFFAOYSA-N 0 0 415.362 5.446 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020605834 558387750 /nfs/dbraw/zinc/38/77/50/558387750.db2.gz WWIDDZVSIIUXQG-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1C ZINC000020605835 558387703 /nfs/dbraw/zinc/38/77/03/558387703.db2.gz ZYHGEEDAQNGWOZ-UHFFFAOYSA-N 0 0 403.383 5.079 50 0 HKAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000020605908 558387728 /nfs/dbraw/zinc/38/77/28/558387728.db2.gz DDQDHPCXBJGFJR-QPPBQGQZSA-N 0 0 418.880 5.101 50 0 HKAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000020605910 558387762 /nfs/dbraw/zinc/38/77/62/558387762.db2.gz DDQDHPCXBJGFJR-ZJSXRUAMSA-N 0 0 418.880 5.101 50 0 HKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000020606234 558387982 /nfs/dbraw/zinc/38/79/82/558387982.db2.gz KXBSFQFZTQWSCX-UHFFFAOYSA-N 0 0 406.574 5.116 50 0 HKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCCc2cc(C)ccc21 ZINC000020606235 558387987 /nfs/dbraw/zinc/38/79/87/558387987.db2.gz QGIYIRZTLYETSG-UHFFFAOYSA-N 0 0 402.542 5.319 50 0 HKAARN Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)Nc1cccc2ccccc21 ZINC000020606765 558388275 /nfs/dbraw/zinc/38/82/75/558388275.db2.gz CMAGTHTYGAFKEN-UHFFFAOYSA-N 0 0 410.827 5.229 50 0 HKAARN O=C(NCCc1ccccc1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606873 558388298 /nfs/dbraw/zinc/38/82/98/558388298.db2.gz NQQSTQFMHBQQLA-UHFFFAOYSA-N 0 0 415.440 5.078 50 0 HKAARN COc1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c1 ZINC000020606880 558388263 /nfs/dbraw/zinc/38/82/63/558388263.db2.gz NPYQUKAXXBWRCO-UHFFFAOYSA-N 0 0 417.412 5.367 50 0 HKAARN O=C(NCc1ccccc1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606885 558388155 /nfs/dbraw/zinc/38/81/55/558388155.db2.gz FMCYMAYQCTVQQH-UHFFFAOYSA-N 0 0 401.413 5.036 50 0 HKAARN Cc1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c1 ZINC000020606887 558388172 /nfs/dbraw/zinc/38/81/72/558388172.db2.gz SCPKVBZWPFBBSU-UHFFFAOYSA-N 0 0 401.413 5.667 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606890 558388177 /nfs/dbraw/zinc/38/81/77/558388177.db2.gz PPFLJVSFPUXLEX-UHFFFAOYSA-N 0 0 405.376 5.497 50 0 HKAARN CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cs1 ZINC000020607053 558388288 /nfs/dbraw/zinc/38/82/88/558388288.db2.gz GOKHMKLBPMSWRV-UHFFFAOYSA-N 0 0 420.943 5.017 50 0 HKAARN CCc1cc(C(=O)Nc2c(Br)cc(F)cc2Br)cs1 ZINC000020607055 558388315 /nfs/dbraw/zinc/38/83/15/558388315.db2.gz KCSIWQRBLNDHTN-UHFFFAOYSA-N 0 0 407.102 5.227 50 0 HKAARN Cc1ccc2c(c1)sc(C(=O)NCc1ccccc1N1CCC(C)CC1)c2Cl ZINC000020607286 558388242 /nfs/dbraw/zinc/38/82/42/558388242.db2.gz SHZOLAAKBJTMLM-UHFFFAOYSA-N 0 0 412.986 6.029 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(Cl)cc4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000020607830 558388539 /nfs/dbraw/zinc/38/85/39/558388539.db2.gz OOABHJLKLZEWKP-OJDLWFJTSA-N 0 0 408.969 6.259 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000020607997 558388646 /nfs/dbraw/zinc/38/86/46/558388646.db2.gz ZEULUAVSHLIBEV-UHFFFAOYSA-N 0 0 421.488 5.276 50 0 HKAARN CC(C)c1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1 ZINC000020607998 558388696 /nfs/dbraw/zinc/38/86/96/558388696.db2.gz WKHDKQOHULIAMJ-UHFFFAOYSA-N 0 0 405.445 5.598 50 0 HKAARN Cc1ccccc1-n1c2nc(-c3ccco3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020608051 558388686 /nfs/dbraw/zinc/38/86/86/558388686.db2.gz BBAFMVZRBDPRAH-UHFFFAOYSA-N 0 0 403.385 5.031 50 0 HKAARN CCCCn1c2nc(-c3ccc(CC)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020608053 558388746 /nfs/dbraw/zinc/38/87/46/558388746.db2.gz KVZIRPMVFWRDSI-UHFFFAOYSA-N 0 0 413.490 5.564 50 0 HKAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000020608133 558388668 /nfs/dbraw/zinc/38/86/68/558388668.db2.gz OGAHQQQVCLDMLX-UHFFFAOYSA-N 0 0 411.571 5.039 50 0 HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1cccc(F)c1)CO2 ZINC000020609832 568636803 /nfs/dbraw/zinc/63/68/03/568636803.db2.gz FINLSACHLVHTCV-UHFFFAOYSA-N 0 0 415.464 5.302 50 0 biogenic HKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(CCc1ccccc1)CO3 ZINC000020609876 568636866 /nfs/dbraw/zinc/63/68/66/568636866.db2.gz MWQLEUCPOMIMEN-UHFFFAOYSA-N 0 0 411.501 5.087 50 0 biogenic HKAARN CCCc1cc(=O)oc2c1ccc1c2CN(CCc2ccc(Cl)cc2Cl)CO1 ZINC000020609990 568636844 /nfs/dbraw/zinc/63/68/44/568636844.db2.gz ISGUVRHSAVPRIV-UHFFFAOYSA-N 0 0 418.320 5.447 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610038 568636639 /nfs/dbraw/zinc/63/66/39/568636639.db2.gz XMAYVBTUIZSCIS-UHFFFAOYSA-N 0 0 411.501 5.394 50 0 biogenic HKAARN CCc1cc(=O)oc2c1ccc1c2CN(CC(c2ccccc2)c2ccccc2)CO1 ZINC000020610054 568636678 /nfs/dbraw/zinc/63/66/78/568636678.db2.gz MLGFXNZEMSMMGD-UHFFFAOYSA-N 0 0 411.501 5.339 50 0 biogenic HKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 ZINC000020610064 568636860 /nfs/dbraw/zinc/63/68/60/568636860.db2.gz JDQORPRVYUPAQV-UHFFFAOYSA-N 0 0 418.320 5.365 50 0 biogenic HKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1)CO3 ZINC000020610129 568636847 /nfs/dbraw/zinc/63/68/47/568636847.db2.gz LCDQEAZSQWZBTN-UHFFFAOYSA-N 0 0 411.929 5.492 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1c(F)cccc1Cl)CO3 ZINC000020610157 568636688 /nfs/dbraw/zinc/63/66/88/568636688.db2.gz VJDBZEWZLVWWTL-UHFFFAOYSA-N 0 0 421.855 5.605 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 ZINC000020610168 568636822 /nfs/dbraw/zinc/63/68/22/568636822.db2.gz QFFVPCSCSWGHNH-UHFFFAOYSA-N 0 0 418.320 5.420 50 0 biogenic HKAARN CCc1cc(=O)oc2c1ccc1c2CN(CCc2ccc(Cl)cc2Cl)CO1 ZINC000020610290 568636768 /nfs/dbraw/zinc/63/67/68/568636768.db2.gz WPAFWILUECYSQQ-UHFFFAOYSA-N 0 0 404.293 5.057 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(CCc2ccc(Cl)cc2Cl)CO1 ZINC000020610339 568636815 /nfs/dbraw/zinc/63/68/15/568636815.db2.gz IFYDEOUJZMWMHG-UHFFFAOYSA-N 0 0 404.293 5.111 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN([C@@H]1CCCc2ccccc21)CO3 ZINC000020610362 568636741 /nfs/dbraw/zinc/63/67/41/568636741.db2.gz QEBWAYKHRDTLSH-XMMPIXPASA-N 0 0 409.485 5.690 50 0 biogenic HKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN([C@H]1CCCc2ccccc21)CO3 ZINC000020610364 568636867 /nfs/dbraw/zinc/63/68/67/568636867.db2.gz QEBWAYKHRDTLSH-DEOSSOPVSA-N 0 0 409.485 5.690 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@H](C)c1ccccc1)CO2 ZINC000020610389 568636939 /nfs/dbraw/zinc/63/69/39/568636939.db2.gz UPLOAVXAHJOQJB-SFHVURJKSA-N 0 0 411.501 5.724 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@@H](C)c1ccccc1)CO2 ZINC000020610391 568637200 /nfs/dbraw/zinc/63/72/00/568637200.db2.gz UPLOAVXAHJOQJB-GOSISDBHSA-N 0 0 411.501 5.724 50 0 biogenic HKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN([C@H](C)c1ccccc1)CO3 ZINC000020610416 568637079 /nfs/dbraw/zinc/63/70/79/568637079.db2.gz WTUMZCGJCYKZPO-LJQANCHMSA-N 0 0 411.501 5.605 50 0 biogenic HKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN([C@@H](C)c1ccccc1)CO3 ZINC000020610418 568637195 /nfs/dbraw/zinc/63/71/95/568637195.db2.gz WTUMZCGJCYKZPO-IBGZPJMESA-N 0 0 411.501 5.605 50 0 biogenic HKAARN Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 ZINC000020610974 558391303 /nfs/dbraw/zinc/39/13/03/558391303.db2.gz WHPBFYBEDWBFDX-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000020611182 558391274 /nfs/dbraw/zinc/39/12/74/558391274.db2.gz OGMUWDBQFJXWPM-UHFFFAOYSA-N 0 0 404.901 5.505 50 0 HKAARN Cc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c2nc(C)cc(C(F)(F)F)c12 ZINC000020614264 558392031 /nfs/dbraw/zinc/39/20/31/558392031.db2.gz RIGJIQQVOWHPHH-UHFFFAOYSA-N 0 0 417.218 5.012 50 0 HKAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cc(C)ccc2C)n1 ZINC000020614319 558392115 /nfs/dbraw/zinc/39/21/15/558392115.db2.gz BKKXPUGSDPLJLM-UHFFFAOYSA-N 0 0 411.571 5.039 50 0 HKAARN CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000020614366 558392092 /nfs/dbraw/zinc/39/20/92/558392092.db2.gz CMXIEVWPXRRDDH-UHFFFAOYSA-N 0 0 417.962 5.075 50 0 HKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020615029 558392054 /nfs/dbraw/zinc/39/20/54/558392054.db2.gz NAVNNLHOANKGCO-UHFFFAOYSA-N 0 0 418.274 6.699 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)c(C)n1 ZINC000020615033 558392064 /nfs/dbraw/zinc/39/20/64/558392064.db2.gz WBMPCTMNEJBCQK-UHFFFAOYSA-N 0 0 423.467 5.436 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccccc2OC)cc3C(F)F)cc1 ZINC000020615036 558392107 /nfs/dbraw/zinc/39/21/07/558392107.db2.gz FNUMOIWJPCEYQT-UHFFFAOYSA-N 0 0 421.447 5.920 50 0 HKAARN CCc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020615043 558392118 /nfs/dbraw/zinc/39/21/18/558392118.db2.gz XDCUNFJWWCOVDT-UHFFFAOYSA-N 0 0 409.455 6.850 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020615072 558392327 /nfs/dbraw/zinc/39/23/27/558392327.db2.gz YGJHWLSSNLLWRP-UHFFFAOYSA-N 0 0 407.420 5.430 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020615093 558392317 /nfs/dbraw/zinc/39/23/17/558392317.db2.gz DZIGKUCPEGGAFP-UHFFFAOYSA-N 0 0 414.264 5.700 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cc1OC ZINC000020615102 558392234 /nfs/dbraw/zinc/39/22/34/558392234.db2.gz IDCJGRZQBBDNAJ-UHFFFAOYSA-N 0 0 413.399 5.490 50 0 HKAARN CC[C@@H](C)n1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615129 558392237 /nfs/dbraw/zinc/39/22/37/558392237.db2.gz CCTHOLXMAPSESH-IURGJNOSSA-N 0 0 419.541 5.830 50 0 HKAARN CC[C@H](C)n1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615130 558392323 /nfs/dbraw/zinc/39/23/23/558392323.db2.gz CCTHOLXMAPSESH-VAWJCMALSA-N 0 0 419.541 5.830 50 0 HKAARN Cc1nn(-c2ccccc2F)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020615144 558392277 /nfs/dbraw/zinc/39/22/77/558392277.db2.gz FMXDUKOWITYCAZ-UHFFFAOYSA-N 0 0 403.407 6.626 50 0 HKAARN CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)c1C ZINC000020615163 558392285 /nfs/dbraw/zinc/39/22/85/558392285.db2.gz SLVVESXSWYGWBV-UHFFFAOYSA-N 0 0 423.467 5.436 50 0 HKAARN CCn1cc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)c(C)n1 ZINC000020615164 558392260 /nfs/dbraw/zinc/39/22/60/558392260.db2.gz IGWNZKJNKOSGLU-UHFFFAOYSA-N 0 0 413.447 5.812 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020615168 558392261 /nfs/dbraw/zinc/39/22/61/558392261.db2.gz IZCIDVKXGYGRMA-UHFFFAOYSA-N 0 0 407.508 6.193 50 0 HKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cc1OC ZINC000020615169 558392320 /nfs/dbraw/zinc/39/23/20/558392320.db2.gz ZVNIWXWVMNYGAF-UHFFFAOYSA-N 0 0 409.436 5.410 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020615204 558392302 /nfs/dbraw/zinc/39/23/02/558392302.db2.gz IOCNZSFGDMZYJN-UHFFFAOYSA-N 0 0 418.274 6.699 50 0 HKAARN CCn1ncc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4Cl)c3n2)c1C ZINC000020615205 558392256 /nfs/dbraw/zinc/39/22/56/558392256.db2.gz ASSIYGGSMRULLM-UHFFFAOYSA-N 0 0 415.875 5.571 50 0 HKAARN COc1ccccc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 ZINC000020615253 558392229 /nfs/dbraw/zinc/39/22/29/558392229.db2.gz YTGUDIPBWSQZDJ-UHFFFAOYSA-N 0 0 411.427 6.296 50 0 HKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000020615254 558392304 /nfs/dbraw/zinc/39/23/04/558392304.db2.gz JGAMKKYIPOLPMW-UHFFFAOYSA-N 0 0 421.447 5.630 50 0 HKAARN FC(F)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020615295 558392330 /nfs/dbraw/zinc/39/23/30/558392330.db2.gz QABDTBGEWCDJNB-UHFFFAOYSA-N 0 0 405.404 5.631 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000020615301 560885902 /nfs/dbraw/zinc/88/59/02/560885902.db2.gz WLPJFVQLQGPTNZ-UHFFFAOYSA-N 0 0 418.274 6.699 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020615313 558392293 /nfs/dbraw/zinc/39/22/93/558392293.db2.gz WVZGHUSZLFCSFK-UHFFFAOYSA-N 0 0 401.819 6.185 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1C ZINC000020615333 558392265 /nfs/dbraw/zinc/39/22/65/558392265.db2.gz HLTLGOOKZMPJAR-UHFFFAOYSA-N 0 0 407.439 6.658 50 0 HKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020615337 560885959 /nfs/dbraw/zinc/88/59/59/560885959.db2.gz VHXYZGVJDJGHOC-UHFFFAOYSA-N 0 0 415.846 6.941 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cc(C)ccc4C)c3n2)cc1 ZINC000020615369 558392297 /nfs/dbraw/zinc/39/22/97/558392297.db2.gz XJFUPXBXHCPMEG-UHFFFAOYSA-N 0 0 423.488 5.973 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020615393 558392269 /nfs/dbraw/zinc/39/22/69/558392269.db2.gz JQHOAFWMJSDREC-UHFFFAOYSA-N 0 0 403.407 6.626 50 0 HKAARN FC(F)c1cc(-c2cccc3ccccc32)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020615410 558392314 /nfs/dbraw/zinc/39/23/14/558392314.db2.gz ZHUIBSKCIFTSFH-UHFFFAOYSA-N 0 0 411.455 7.056 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000020615413 558392553 /nfs/dbraw/zinc/39/25/53/558392553.db2.gz DCXFGVWPWLRTQR-UHFFFAOYSA-N 0 0 409.411 5.992 50 0 HKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)c1 ZINC000020615416 558392566 /nfs/dbraw/zinc/39/25/66/558392566.db2.gz MJGIATOKTFZILI-UHFFFAOYSA-N 0 0 409.411 5.992 50 0 HKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000020615458 558392498 /nfs/dbraw/zinc/39/24/98/558392498.db2.gz DAFXVFZXZDHIIP-UHFFFAOYSA-N 0 0 423.438 6.301 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cc1 ZINC000020615477 558392556 /nfs/dbraw/zinc/39/25/56/558392556.db2.gz DGQHCIKXSROSDM-UHFFFAOYSA-N 0 0 401.363 5.562 50 0 HKAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4cccc(Cl)c4)c3n2)cn1 ZINC000020615479 558392550 /nfs/dbraw/zinc/39/25/50/558392550.db2.gz ATOSLFAXXMDEEA-UHFFFAOYSA-N 0 0 419.838 5.344 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)s1 ZINC000020615486 558392488 /nfs/dbraw/zinc/39/24/88/558392488.db2.gz IUJVBVYCKLAZTF-UHFFFAOYSA-N 0 0 405.420 6.178 50 0 HKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020615488 558392530 /nfs/dbraw/zinc/39/25/30/558392530.db2.gz NQKJLALGYPLPIH-UHFFFAOYSA-N 0 0 411.811 6.269 50 0 HKAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 ZINC000020615490 558392576 /nfs/dbraw/zinc/39/25/76/558392576.db2.gz GZCSPTILZAESRY-UHFFFAOYSA-N 0 0 417.410 5.585 50 0 HKAARN Cc1cccc(-n2c3nc(-c4ccco4)cc(C(F)(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020615556 558392569 /nfs/dbraw/zinc/39/25/69/558392569.db2.gz LKFAKDWPUVHCQL-UHFFFAOYSA-N 0 0 403.385 5.031 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020615570 558392570 /nfs/dbraw/zinc/39/25/70/558392570.db2.gz YMSRHULJEILYAF-UHFFFAOYSA-N 0 0 407.848 6.189 50 0 HKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020615574 560885964 /nfs/dbraw/zinc/88/59/64/560885964.db2.gz CPLOXTPNCRCXQO-UHFFFAOYSA-N 0 0 415.390 6.074 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)s1 ZINC000020615578 558392516 /nfs/dbraw/zinc/39/25/16/558392516.db2.gz FXKFMZTUCJEWDL-UHFFFAOYSA-N 0 0 415.490 5.726 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020615651 558392537 /nfs/dbraw/zinc/39/25/37/558392537.db2.gz XXUUHZFGJRAQRR-UHFFFAOYSA-N 0 0 407.848 6.189 50 0 HKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc(OC(F)F)cc2)cc3C(F)(F)F)cc1 ZINC000020615657 558392507 /nfs/dbraw/zinc/39/25/07/558392507.db2.gz RLJAYKHQFZUJTO-UHFFFAOYSA-N 0 0 423.316 5.847 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cc(Br)ccc1F ZINC000020615678 568638128 /nfs/dbraw/zinc/63/81/28/568638128.db2.gz NYCKCNHCRUPLBU-NSIKDUERSA-N 0 0 415.045 5.240 50 0 HKAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(C(C)C)cc1)cc2C(F)(F)F ZINC000020615692 560885928 /nfs/dbraw/zinc/88/59/28/560885928.db2.gz IGJVIQRUNXKDMU-UHFFFAOYSA-N 0 0 405.420 5.112 50 0 HKAARN CCn1nccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000020615762 558392691 /nfs/dbraw/zinc/39/26/91/558392691.db2.gz AUJDHDQHBZECAK-GOSISDBHSA-N 0 0 400.526 5.014 50 0 HKAARN CCn1nccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000020615763 558392705 /nfs/dbraw/zinc/39/27/05/558392705.db2.gz AUJDHDQHBZECAK-SFHVURJKSA-N 0 0 400.526 5.014 50 0 HKAARN CC(C)n1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 ZINC000020615881 558392757 /nfs/dbraw/zinc/39/27/57/558392757.db2.gz ZHAAEPYGBITMFA-UHFFFAOYSA-N 0 0 419.432 5.136 50 0 HKAARN COc1ccc2ccccc2c1/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O ZINC000020616026 568638155 /nfs/dbraw/zinc/63/81/55/568638155.db2.gz SRHUNLXDSCMAJP-NSEAFHDBSA-N 0 0 424.283 6.165 50 0 HKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000020616031 568637960 /nfs/dbraw/zinc/63/79/60/568637960.db2.gz OBMPCDXMXIIRCW-VAKPMEJFSA-N 0 0 413.087 6.310 50 0 HKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1cccc(Cl)c1Cl ZINC000020616033 568638010 /nfs/dbraw/zinc/63/80/10/568638010.db2.gz JZSFOMQIDLNERI-ZHCWNNSNSA-N 0 0 413.087 6.310 50 0 HKAARN COc1ccccc1/C=C/C=C1\N=C(/C=C/c2cccc(Cl)c2Cl)OC1=O ZINC000020616035 568638002 /nfs/dbraw/zinc/63/80/02/568638002.db2.gz RYEGSVTWGIPNJU-AWMZRUHXSA-N 0 0 400.261 5.568 50 0 HKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000020616040 568638021 /nfs/dbraw/zinc/63/80/21/568638021.db2.gz QWWJFBMVHOCCOG-GHXLPOHCSA-N 0 0 413.087 6.310 50 0 HKAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1ccc(Br)cc1 ZINC000020616043 568638057 /nfs/dbraw/zinc/63/80/57/568638057.db2.gz NXBPPZQKFYUZGF-ZLRVCTSNSA-N 0 0 423.093 5.766 50 0 HKAARN O=C1OC(/C=C/c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000020616057 568638163 /nfs/dbraw/zinc/63/81/63/568638163.db2.gz JOKDJVILSPSYLV-CXGZLFMQSA-N 0 0 413.087 6.310 50 0 HKAARN COc1ccccc1/C=C/C=C1\N=C(/C=C/c2ccc(Cl)cc2Cl)OC1=O ZINC000020616059 568638006 /nfs/dbraw/zinc/63/80/06/568638006.db2.gz OWVUHORDRIFXQJ-TUFDTNJHSA-N 0 0 400.261 5.568 50 0 HKAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)c1 ZINC000020616125 558392699 /nfs/dbraw/zinc/39/26/99/558392699.db2.gz UCVYVWUAVDJOAT-UHFFFAOYSA-N 0 0 413.399 5.432 50 0 HKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000020616244 558393020 /nfs/dbraw/zinc/39/30/20/558393020.db2.gz RILOYVFPDSKBHD-UHFFFAOYSA-N 0 0 419.250 5.024 50 0 HKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000020616257 558393029 /nfs/dbraw/zinc/39/30/29/558393029.db2.gz QMRCYTNEHKYNAT-UHFFFAOYSA-N 0 0 422.815 5.378 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(C24CC5CC(CC(C5)C2)C4)cc3C(F)F)cc1 ZINC000020616362 560885881 /nfs/dbraw/zinc/88/58/81/560885881.db2.gz BGXYKTXJRRTBNT-UHFFFAOYSA-N 0 0 423.507 6.143 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020616363 560885910 /nfs/dbraw/zinc/88/59/10/560885910.db2.gz YTBMFHYRXGUPQV-UHFFFAOYSA-N 0 0 413.471 6.854 50 0 HKAARN COc1ccccc1-c1cc(C(F)F)c2c(C)nn(Cc3cccc(Cl)c3)c2n1 ZINC000020616364 560885951 /nfs/dbraw/zinc/88/59/51/560885951.db2.gz SXACYQYVVPCCNY-UHFFFAOYSA-N 0 0 413.855 6.055 50 0 HKAARN Clc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c(Cl)c1 ZINC000020616445 568637976 /nfs/dbraw/zinc/63/79/76/568637976.db2.gz JSEPTBLQWCQKCU-UHFFFAOYSA-N 0 0 417.299 6.432 50 0 HKAARN O=C(NCc1cccs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000020616498 568638158 /nfs/dbraw/zinc/63/81/58/568638158.db2.gz FZHBJCBXOBMSDB-UHFFFAOYSA-N 0 0 421.525 5.955 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 ZINC000020616520 558393292 /nfs/dbraw/zinc/39/32/92/558393292.db2.gz MFPQUKKCWQGKRY-NKFKGCMQSA-N 0 0 416.289 5.681 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1 ZINC000020616522 568638151 /nfs/dbraw/zinc/63/81/51/568638151.db2.gz KBBHJYKYWIZXRL-NKFKGCMQSA-N 0 0 416.289 5.681 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)n(C)n2)cc1 ZINC000020616675 558393299 /nfs/dbraw/zinc/39/32/99/558393299.db2.gz DPCYLKKHPPKYTA-UHFFFAOYSA-N 0 0 404.514 5.172 50 0 HKAARN Cn1cc(C(=O)Nc2cccc3ccccc32)c(C(=O)Nc2cccc3ccccc32)n1 ZINC000020616704 558393312 /nfs/dbraw/zinc/39/33/12/558393312.db2.gz KQWBSHQFTVCLGK-UHFFFAOYSA-N 0 0 420.472 5.231 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)n(C)n1 ZINC000020616827 558393308 /nfs/dbraw/zinc/39/33/08/558393308.db2.gz GQWMDWYTSSMDRR-UHFFFAOYSA-N 0 0 404.514 5.172 50 0 HKAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000020616843 558393280 /nfs/dbraw/zinc/39/32/80/558393280.db2.gz TYKCIPXQWAOZEZ-UHFFFAOYSA-N 0 0 414.339 5.313 50 0 HKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccc3c(c2)OCO3)cc1 ZINC000020616845 558393278 /nfs/dbraw/zinc/39/32/78/558393278.db2.gz OSABKIMSUCWMMA-UHFFFAOYSA-N 0 0 414.339 5.313 50 0 HKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2onc(-c3ccc4c(c3)OCO4)c21 ZINC000020616846 558393287 /nfs/dbraw/zinc/39/32/87/558393287.db2.gz UTLOMFAVLFRAIQ-UHFFFAOYSA-N 0 0 418.758 5.958 50 0 HKAARN Fc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccc5c(c4)OCO5)noc3n2)cc1 ZINC000020616848 558393274 /nfs/dbraw/zinc/39/32/74/558393274.db2.gz LLLDOFNFIUZTIB-UHFFFAOYSA-N 0 0 402.303 5.443 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)s1 ZINC000020616851 558393420 /nfs/dbraw/zinc/39/34/20/558393420.db2.gz WZPWXUHMFSDNSB-UHFFFAOYSA-N 0 0 401.457 6.098 50 0 HKAARN O=C(Nc1ccc(F)c(F)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020616908 558393500 /nfs/dbraw/zinc/39/35/00/558393500.db2.gz ACCBZCYQTBIAHH-UHFFFAOYSA-N 0 0 423.366 5.636 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020616909 558393524 /nfs/dbraw/zinc/39/35/24/558393524.db2.gz TVHFWFRTAGPWOM-UHFFFAOYSA-N 0 0 401.413 5.667 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000020616924 558393429 /nfs/dbraw/zinc/39/34/29/558393429.db2.gz UPSYNTHOWVREDX-UHFFFAOYSA-N 0 0 404.514 5.172 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000020616959 558393482 /nfs/dbraw/zinc/39/34/82/558393482.db2.gz IWZOJXZJCZZUAL-UHFFFAOYSA-N 0 0 404.514 5.172 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1cn(C)nc1C(=O)Nc1ccccc1C(C)C ZINC000020617219 558393433 /nfs/dbraw/zinc/39/34/33/558393433.db2.gz YUYOQQFHPKNGMF-UHFFFAOYSA-N 0 0 404.514 5.172 50 0 HKAARN CC[C@@H](C(=O)Nc1ccccc1Cl)n1ccc(C(=O)Nc2ccccc2Cl)n1 ZINC000020617419 558393657 /nfs/dbraw/zinc/39/36/57/558393657.db2.gz JCDLNHLEJGEPCP-SFHVURJKSA-N 0 0 417.296 5.032 50 0 HKAARN CC[C@H](C(=O)Nc1ccccc1Cl)n1ccc(C(=O)Nc2ccccc2Cl)n1 ZINC000020617421 558393668 /nfs/dbraw/zinc/39/36/68/558393668.db2.gz JCDLNHLEJGEPCP-GOSISDBHSA-N 0 0 417.296 5.032 50 0 HKAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000020617688 558393861 /nfs/dbraw/zinc/39/38/61/558393861.db2.gz QUQMDLKJSWHXIY-SFHVURJKSA-N 0 0 417.296 5.032 50 0 HKAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000020617691 558393864 /nfs/dbraw/zinc/39/38/64/558393864.db2.gz QUQMDLKJSWHXIY-GOSISDBHSA-N 0 0 417.296 5.032 50 0 HKAARN COc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1 ZINC000020617694 558393875 /nfs/dbraw/zinc/39/38/75/558393875.db2.gz QHSUMNGHZXFDAB-UHFFFAOYSA-N 0 0 417.412 5.367 50 0 HKAARN O=C(Nc1cccnc1Cl)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020617706 558393862 /nfs/dbraw/zinc/39/38/62/558393862.db2.gz ZFGMYXMEKOJSHW-UHFFFAOYSA-N 0 0 422.819 5.407 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(S(=O)(=O)c2ccccc2)c1-c1ccc(C)cc1 ZINC000020617853 558394036 /nfs/dbraw/zinc/39/40/36/558394036.db2.gz WCMOSUFERAJUEM-UHFFFAOYSA-N 0 0 402.519 5.379 50 0 HKAARN Cc1c(-c2ccc(C)cc2)nn(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(C)cc1 ZINC000020617861 560886067 /nfs/dbraw/zinc/88/60/67/560886067.db2.gz UDYOLNKXWVOWER-UHFFFAOYSA-N 0 0 416.546 5.688 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000020617871 558394031 /nfs/dbraw/zinc/39/40/31/558394031.db2.gz GXTXIYRZVPQFSL-UHFFFAOYSA-N 0 0 421.972 5.936 50 0 HKAARN Cc1ccc(-c2cn(-c3ccccc3)c(SCC(=O)NC3CCCCC3)n2)cc1 ZINC000020617889 568638267 /nfs/dbraw/zinc/63/82/67/568638267.db2.gz YNFNAHGFJXEXKH-UHFFFAOYSA-N 0 0 405.567 5.389 50 0 HKAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Br)cc1)c1cccc(Cl)c1O2 ZINC000020642180 132470568 /nfs/dbraw/zinc/47/05/68/132470568.db2.gz TVRJRCDSYVKZBJ-RHSMWYFYSA-N 0 0 409.736 5.037 50 0 HKAARN CC1CCC(NC(=O)Cc2ccc(Nc3[nH]c(=S)nc4ccccc43)cc2)CC1 ZINC000020646192 568639247 /nfs/dbraw/zinc/63/92/47/568639247.db2.gz HPNPODRMBVGHTL-UHFFFAOYSA-N 0 0 406.555 5.273 50 0 HKAARN Cc1oc2c(ccc3c2CN(CCc2cccs2)CO3)c(=O)c1-c1ccccc1 ZINC000020647193 568639184 /nfs/dbraw/zinc/63/91/84/568639184.db2.gz JNZGWAMPVUPKMW-UHFFFAOYSA-N 0 0 403.503 5.225 50 0 biogenic HKAARN CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000020661870 568639195 /nfs/dbraw/zinc/63/91/95/568639195.db2.gz FZPCTQPCCRIYGD-UHFFFAOYSA-N 0 0 424.470 6.343 50 0 HKAARN S=C(Nc1cccc(Br)c1)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000020662426 568639333 /nfs/dbraw/zinc/63/93/33/568639333.db2.gz HVDSPBZQEKVQDR-QGZVFWFLSA-N 0 0 418.385 5.114 50 0 HKAARN S=C(Nc1cccc(Br)c1)N1CCn2cccc2[C@H]1c1cccs1 ZINC000020662428 568639328 /nfs/dbraw/zinc/63/93/28/568639328.db2.gz HVDSPBZQEKVQDR-KRWDZBQOSA-N 0 0 418.385 5.114 50 0 HKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1O ZINC000020662546 568639331 /nfs/dbraw/zinc/63/93/31/568639331.db2.gz ZROKELVOAFLTIC-YRNVUSSQSA-N 0 0 422.843 5.063 50 0 HKAARN COc1ccccc1-n1c(/C=C\c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O ZINC000020662572 568639290 /nfs/dbraw/zinc/63/92/90/568639290.db2.gz MXRSVYKYXMKXDC-YPKPFQOOSA-N 0 0 422.406 5.584 50 0 HKAARN Cc1ccc(-n2c(/C=C\c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c(C)c1 ZINC000020662585 568639518 /nfs/dbraw/zinc/63/95/18/568639518.db2.gz FITREDQSQOSFAU-QBFSEMIESA-N 0 0 420.434 6.192 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2ccccc2F)n1-c1cccc(C(F)(F)F)c1 ZINC000020662623 568639435 /nfs/dbraw/zinc/63/94/35/568639435.db2.gz PLEOZVZNXKTXNB-SEYXRHQNSA-N 0 0 410.370 5.714 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 ZINC000020662801 568639539 /nfs/dbraw/zinc/63/95/39/568639539.db2.gz VYCRITWHQPUEBU-UHFFFAOYSA-N 0 0 422.406 6.182 50 0 HKAARN CC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Nc1cccc(Cl)c1 ZINC000020664936 571314759 /nfs/dbraw/zinc/31/47/59/571314759.db2.gz SFEDCHYSLMBAQZ-UHFFFAOYSA-N 0 0 411.864 5.111 50 0 HKAARN COC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020665420 568639585 /nfs/dbraw/zinc/63/95/85/568639585.db2.gz QEJQRNNCJRPION-HMAPJEAMSA-N 0 0 419.477 5.292 50 0 HKAARN Fc1ccc(-c2csc3ncnc(Sc4nnc(-c5cccs5)o4)c23)cc1 ZINC000020667424 558398075 /nfs/dbraw/zinc/39/80/75/558398075.db2.gz CIWWVIXGJWPPBW-UHFFFAOYSA-N 0 0 412.496 5.760 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(-c3cccs3)o2)n1 ZINC000020667441 558398100 /nfs/dbraw/zinc/39/81/00/558398100.db2.gz BZGJHGOASPKINM-UHFFFAOYSA-N 0 0 414.562 5.991 50 0 HKAARN Cc1ccccc1-c1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c32)o1 ZINC000020667736 558398114 /nfs/dbraw/zinc/39/81/14/558398114.db2.gz JGLGDDXITLGUMP-UHFFFAOYSA-N 0 0 420.494 6.007 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(-c3ccccc3C)o2)n1 ZINC000020667749 558398024 /nfs/dbraw/zinc/39/80/24/558398024.db2.gz YGSGQXOCJQVOPR-UHFFFAOYSA-N 0 0 422.560 6.238 50 0 HKAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(Cc2cccs2)CO3)c1=O ZINC000020676157 558400119 /nfs/dbraw/zinc/40/01/19/558400119.db2.gz GLZATFSIKBJUSM-UHFFFAOYSA-N 0 0 419.502 5.191 50 0 HKAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3cccs3)CO4)c2=O)cc1 ZINC000020676286 568639849 /nfs/dbraw/zinc/63/98/49/568639849.db2.gz REMGIXLYSJRWDK-UHFFFAOYSA-N 0 0 419.502 5.191 50 0 biogenic HKAARN COC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020676439 568639848 /nfs/dbraw/zinc/63/98/48/568639848.db2.gz YIUUAKMFESJYBJ-HYARGMPZSA-N 0 0 419.477 5.292 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccc(C)cc2)CCCN1Cc1ccc(F)cc1 ZINC000020676579 568639857 /nfs/dbraw/zinc/63/98/57/568639857.db2.gz DDTOVROQNYYCES-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN COC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C\c1ccccc1)S2 ZINC000020676807 568639685 /nfs/dbraw/zinc/63/96/85/568639685.db2.gz SLGBNQWZOASNFS-LPYMAVHISA-N 0 0 419.477 5.292 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1ccccc1Cl ZINC000020678003 568639923 /nfs/dbraw/zinc/63/99/23/568639923.db2.gz YYUMTYHHGAVTKQ-DOQJBMMISA-N 0 0 424.976 5.145 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cnn2c(C)c1Cc1ccccc1Cl ZINC000020678008 568639896 /nfs/dbraw/zinc/63/98/96/568639896.db2.gz YYUMTYHHGAVTKQ-SMASLZHESA-N 0 0 424.976 5.145 50 0 HKAARN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc1c2CN(Cc2cccs2)CO1 ZINC000020678018 568640098 /nfs/dbraw/zinc/64/00/98/568640098.db2.gz AYTHJDKLMQTTIM-UHFFFAOYSA-N 0 0 409.894 5.527 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000020678061 568640107 /nfs/dbraw/zinc/64/01/07/568640107.db2.gz LLJOFRLVIKWJTL-DOQJBMMISA-N 0 0 424.976 5.145 50 0 HKAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000020678066 568640060 /nfs/dbraw/zinc/64/00/60/568640060.db2.gz LLJOFRLVIKWJTL-SMASLZHESA-N 0 0 424.976 5.145 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)[C@@H]1C ZINC000020682113 568639901 /nfs/dbraw/zinc/63/99/01/568639901.db2.gz WKYHKSZNLZNJIO-YRGRVCCFSA-N 0 0 422.476 5.031 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)[C@@H]1C ZINC000020682120 568640109 /nfs/dbraw/zinc/64/01/09/568640109.db2.gz WKYHKSZNLZNJIO-BZPMIXESSA-N 0 0 422.476 5.031 50 0 HKAARN CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1Sc1ccc(C)cc1 ZINC000020683773 568640329 /nfs/dbraw/zinc/64/03/29/568640329.db2.gz GNUFZWRRNVBMMU-CSODHUTKSA-N 0 0 410.583 5.659 50 0 HKAARN CN(Cc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000020686691 558400687 /nfs/dbraw/zinc/40/06/87/558400687.db2.gz MUFIVWCCXBIDOZ-UHFFFAOYSA-N 0 0 413.905 5.076 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000020715386 558401143 /nfs/dbraw/zinc/40/11/43/558401143.db2.gz QVYGUEOAKOPVHK-UHFFFAOYSA-N 0 0 423.559 5.422 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1 ZINC000020716470 558401334 /nfs/dbraw/zinc/40/13/34/558401334.db2.gz JNWREJSWTMPTAE-UHFFFAOYSA-N 0 0 418.634 5.151 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cc(Cl)ccc1Cl ZINC000020716852 558401608 /nfs/dbraw/zinc/40/16/08/558401608.db2.gz IRLILXKPPNFHBX-UHFFFAOYSA-N 0 0 400.221 5.155 50 0 HKAARN O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccccc1Cl ZINC000020717471 558401856 /nfs/dbraw/zinc/40/18/56/558401856.db2.gz LGGFMLSACHNBIH-UHFFFAOYSA-N 0 0 416.912 5.352 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 ZINC000020717481 558401762 /nfs/dbraw/zinc/40/17/62/558401762.db2.gz UYEWGMXLGQPBQQ-UHFFFAOYSA-N 0 0 407.857 5.583 50 0 HKAARN Cc1cccnc1N(Cc1cccs1)C(=O)C1=C(c2ccccc2)SCCO1 ZINC000020718499 558402317 /nfs/dbraw/zinc/40/23/17/558402317.db2.gz FTUPBYIKUHPVGE-UHFFFAOYSA-N 0 0 408.548 5.117 50 0 HKAARN Cc1cc(C(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)sc1C ZINC000020719408 558402529 /nfs/dbraw/zinc/40/25/29/558402529.db2.gz UDQMRWDPKHLAIU-UHFFFAOYSA-N 0 0 416.550 5.377 50 0 HKAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nnc2ccccn21 ZINC000020722036 558403123 /nfs/dbraw/zinc/40/31/23/558403123.db2.gz PMVKGAUUCNPBRZ-XMMPIXPASA-N 0 0 421.504 5.072 50 0 HKAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nnc2ccccn21 ZINC000020722039 558403160 /nfs/dbraw/zinc/40/31/60/558403160.db2.gz PMVKGAUUCNPBRZ-DEOSSOPVSA-N 0 0 421.504 5.072 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000020722964 558403678 /nfs/dbraw/zinc/40/36/78/558403678.db2.gz HXFTYCBBJKHGHM-UHFFFAOYSA-N 0 0 422.937 5.400 50 0 HKAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2Br)o1 ZINC000020725162 558404447 /nfs/dbraw/zinc/40/44/47/558404447.db2.gz QBDMNJPJEBGDAJ-OAHLLOKOSA-N 0 0 416.300 5.194 50 0 HKAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2Br)o1 ZINC000020725167 558404381 /nfs/dbraw/zinc/40/43/81/558404381.db2.gz QBDMNJPJEBGDAJ-HNNXBMFYSA-N 0 0 416.300 5.194 50 0 HKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000020725510 558404596 /nfs/dbraw/zinc/40/45/96/558404596.db2.gz ARZROMZNFDMTMP-UHFFFAOYSA-N 0 0 400.221 5.155 50 0 HKAARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020726027 558404649 /nfs/dbraw/zinc/40/46/49/558404649.db2.gz YHXCBCLCPOEULK-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020726031 558404654 /nfs/dbraw/zinc/40/46/54/558404654.db2.gz YHXCBCLCPOEULK-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2cc(-c3ccccc3)nn21 ZINC000020726723 558405190 /nfs/dbraw/zinc/40/51/90/558405190.db2.gz ZVUCJAIRYYTHDD-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2cc(-c3ccccc3)nn21 ZINC000020726727 558405249 /nfs/dbraw/zinc/40/52/49/558405249.db2.gz ZVUCJAIRYYTHDD-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020727722 132470847 /nfs/dbraw/zinc/47/08/47/132470847.db2.gz LZSSCUAXHVJBPH-FQEVSTJZSA-N 0 0 417.534 5.229 50 0 HKAARN O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020727724 558405428 /nfs/dbraw/zinc/40/54/28/558405428.db2.gz LZSSCUAXHVJBPH-HXUWFJFHSA-N 0 0 417.534 5.229 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2cc(-c3ccccc3)nn21 ZINC000020728073 558405447 /nfs/dbraw/zinc/40/54/47/558405447.db2.gz RHQXRRJLJQOHGD-HNNXBMFYSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2cc(-c3ccccc3)nn21 ZINC000020728076 558405397 /nfs/dbraw/zinc/40/53/97/558405397.db2.gz RHQXRRJLJQOHGD-OAHLLOKOSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020728172 558405443 /nfs/dbraw/zinc/40/54/43/558405443.db2.gz ZROUWXIOKRMYLM-UHFFFAOYSA-N 0 0 414.892 5.644 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000020728180 558405450 /nfs/dbraw/zinc/40/54/50/558405450.db2.gz VSHVYXBQBWQNHO-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000020728183 558405453 /nfs/dbraw/zinc/40/54/53/558405453.db2.gz VSHVYXBQBWQNHO-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(NC1CCCCCCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728779 568640578 /nfs/dbraw/zinc/64/05/78/568640578.db2.gz WNRUXROYZLTXAT-CJLVFECKSA-N 0 0 406.551 5.615 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020729632 568640605 /nfs/dbraw/zinc/64/06/05/568640605.db2.gz CYLVUGRGNHEALH-FYJGNVAPSA-N 0 0 420.921 5.355 50 0 HKAARN O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020729718 558405874 /nfs/dbraw/zinc/40/58/74/558405874.db2.gz ZRYWFAXYELDUCX-QHCPKHFHSA-N 0 0 402.538 5.192 50 0 HKAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020729721 558405978 /nfs/dbraw/zinc/40/59/78/558405978.db2.gz ZRYWFAXYELDUCX-HSZRJFAPSA-N 0 0 402.538 5.192 50 0 HKAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020730030 558406137 /nfs/dbraw/zinc/40/61/37/558406137.db2.gz XUHYFUKVLRMZGS-MHZLTWQESA-N 0 0 424.544 5.915 50 0 HKAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020730034 558406195 /nfs/dbraw/zinc/40/61/95/558406195.db2.gz XUHYFUKVLRMZGS-HHHXNRCGSA-N 0 0 424.544 5.915 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000020730089 558406087 /nfs/dbraw/zinc/40/60/87/558406087.db2.gz VTJSJDKQQRWPIQ-UHFFFAOYSA-N 0 0 400.221 5.155 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020730534 568640940 /nfs/dbraw/zinc/64/09/40/568640940.db2.gz YJBKLFLGGXSFSD-CJLVFECKSA-N 0 0 404.535 5.392 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020731409 568640895 /nfs/dbraw/zinc/64/08/95/568640895.db2.gz FURZYZZOJZMVDH-FYJGNVAPSA-N 0 0 420.921 5.355 50 0 HKAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000020731507 558406623 /nfs/dbraw/zinc/40/66/23/558406623.db2.gz MSFGCONXRPVMCY-NRFANRHFSA-N 0 0 412.518 5.629 50 0 HKAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000020731510 558406656 /nfs/dbraw/zinc/40/66/56/558406656.db2.gz MSFGCONXRPVMCY-OAQYLSRUSA-N 0 0 412.518 5.629 50 0 HKAARN O=C(NCc1cccnc1)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000020731624 568640844 /nfs/dbraw/zinc/64/08/44/568640844.db2.gz PNPCCYCFZQAJBY-UHFFFAOYSA-N 0 0 422.410 5.322 50 0 HKAARN COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000020732895 558407034 /nfs/dbraw/zinc/40/70/34/558407034.db2.gz GOWTWRWLJRTLTD-LADGPHEKSA-N 0 0 400.478 5.293 50 0 HKAARN COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000020732899 558407093 /nfs/dbraw/zinc/40/70/93/558407093.db2.gz GOWTWRWLJRTLTD-ISKFKSNPSA-N 0 0 400.478 5.293 50 0 HKAARN CSc1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000020733095 558407149 /nfs/dbraw/zinc/40/71/49/558407149.db2.gz GLTPNFVBWDDELM-KRWDZBQOSA-N 0 0 412.902 5.097 50 0 HKAARN CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000020733099 558407004 /nfs/dbraw/zinc/40/70/04/558407004.db2.gz GLTPNFVBWDDELM-QGZVFWFLSA-N 0 0 412.902 5.097 50 0 HKAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020733393 132470887 /nfs/dbraw/zinc/47/08/87/132470887.db2.gz MFEBLBUDWZOJBW-QHCPKHFHSA-N 0 0 414.505 5.043 50 0 HKAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020733396 558407202 /nfs/dbraw/zinc/40/72/02/558407202.db2.gz MFEBLBUDWZOJBW-HSZRJFAPSA-N 0 0 414.505 5.043 50 0 HKAARN COc1ccc([C@H]2N(Cc3ccccc3C)CCN2Cc2c(F)cccc2Cl)cc1 ZINC000020733959 568641228 /nfs/dbraw/zinc/64/12/28/568641228.db2.gz YPLXELXIPTZFLH-VWLOTQADSA-N 0 0 424.947 5.813 50 0 HKAARN COc1ccccc1[C@H]1N(Cc2ccccc2C)CCN1Cc1c(F)cccc1Cl ZINC000020733965 568641150 /nfs/dbraw/zinc/64/11/50/568641150.db2.gz SDBIAHVKWHZRDY-VWLOTQADSA-N 0 0 424.947 5.813 50 0 HKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N(C)C4CCCCC4)cc3NC2=O)cc1 ZINC000020734086 568641248 /nfs/dbraw/zinc/64/12/48/568641248.db2.gz YIYJFQOOIMPOAI-HYARGMPZSA-N 0 0 422.550 5.185 50 0 HKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCC(C)CC4)cc3NC2=O)cc1 ZINC000020734182 568641095 /nfs/dbraw/zinc/64/10/95/568641095.db2.gz KQNKGGKHRZYKAX-LPYMAVHISA-N 0 0 422.550 5.089 50 0 HKAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N[C@H]4CCCC[C@@H]4C)cc3NC2=O)cc1 ZINC000020734198 568641244 /nfs/dbraw/zinc/64/12/44/568641244.db2.gz GIEQFDKOGLYVCY-BDKYIUAESA-N 0 0 422.550 5.089 50 0 HKAARN O=C(CCc1ccccc1)Nc1ccc(N2CCCn3c4ccccc4nc3C2)cc1 ZINC000020734797 558407487 /nfs/dbraw/zinc/40/74/87/558407487.db2.gz OGICDWILRSDXRR-UHFFFAOYSA-N 0 0 410.521 5.018 50 0 HKAARN O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734906 568641077 /nfs/dbraw/zinc/64/10/77/568641077.db2.gz WVEKCRUIDUZVBB-CIAFOILYSA-N 0 0 420.921 5.355 50 0 HKAARN O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735108 568641168 /nfs/dbraw/zinc/64/11/68/568641168.db2.gz HAJSTDMWVMJEPE-FYJGNVAPSA-N 0 0 420.921 5.355 50 0 HKAARN CC(C)(C)c1coc2cc3oc(=O)c(-c4csc(-c5ccc(F)cc5)n4)cc3cc21 ZINC000020737089 558408169 /nfs/dbraw/zinc/40/81/69/558408169.db2.gz WEKJXZJXFWRMOW-UHFFFAOYSA-N 0 0 419.477 6.766 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020737383 558408204 /nfs/dbraw/zinc/40/82/04/558408204.db2.gz KMZQHEZYQVVNDT-UHFFFAOYSA-N 0 0 422.937 5.400 50 0 HKAARN CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000020738321 568641091 /nfs/dbraw/zinc/64/10/91/568641091.db2.gz DZGIDYFFRCYASE-YKSBVNFPSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000020738325 568641225 /nfs/dbraw/zinc/64/12/25/568641225.db2.gz DZGIDYFFRCYASE-HYBUGGRVSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000020738329 568641215 /nfs/dbraw/zinc/64/12/15/568641215.db2.gz KQGVEFJJIXINKF-WMZHIEFXSA-N 0 0 406.507 5.643 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000020738337 568641146 /nfs/dbraw/zinc/64/11/46/568641146.db2.gz AAODJBCTRNJBEK-WMZHIEFXSA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000020738406 568641203 /nfs/dbraw/zinc/64/12/03/568641203.db2.gz NUQQREBLRDQQNU-WIOPSUGQSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000020738425 568641253 /nfs/dbraw/zinc/64/12/53/568641253.db2.gz FPJWGCLBAQHMAD-WIOPSUGQSA-N 0 0 418.468 5.475 50 0 HKAARN CCCCCOc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1 ZINC000020740789 568641231 /nfs/dbraw/zinc/64/12/31/568641231.db2.gz VCMINTMIGLCLCI-UHFFFAOYSA-N 0 0 423.294 5.421 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020744489 558409191 /nfs/dbraw/zinc/40/91/91/558409191.db2.gz MUGJXEQPPJUMJP-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020744490 558409240 /nfs/dbraw/zinc/40/92/40/558409240.db2.gz MUGJXEQPPJUMJP-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN COc1ccc([C@@H]2SCC(=O)Nc3n[nH]cc32)cc1OCc1cccc(Cl)c1 ZINC000020744660 558409439 /nfs/dbraw/zinc/40/94/39/558409439.db2.gz ZVWPHNUWCRQXCP-IBGZPJMESA-N 0 0 415.902 5.075 50 0 HKAARN COc1ccc([C@H]2SCC(=O)Nc3n[nH]cc32)cc1OCc1cccc(Cl)c1 ZINC000020744661 558409505 /nfs/dbraw/zinc/40/95/05/558409505.db2.gz ZVWPHNUWCRQXCP-LJQANCHMSA-N 0 0 415.902 5.075 50 0 HKAARN O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020744952 558409709 /nfs/dbraw/zinc/40/97/09/558409709.db2.gz DSOUNIIBBWLVAE-QHCPKHFHSA-N 0 0 411.505 5.167 50 0 HKAARN O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020744953 558409746 /nfs/dbraw/zinc/40/97/46/558409746.db2.gz DSOUNIIBBWLVAE-HSZRJFAPSA-N 0 0 411.505 5.167 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000020745511 558410295 /nfs/dbraw/zinc/41/02/95/558410295.db2.gz GFLZUXLWLMIGIJ-UHFFFAOYSA-N 0 0 422.937 5.400 50 0 HKAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000020745820 558410813 /nfs/dbraw/zinc/41/08/13/558410813.db2.gz XYYUITUBLFYQPU-UHFFFAOYSA-N 0 0 411.523 5.553 50 0 HKAARN O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020746014 558410979 /nfs/dbraw/zinc/41/09/79/558410979.db2.gz XWCNOMMDSXKHJL-QHCPKHFHSA-N 0 0 411.505 5.167 50 0 HKAARN O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020746015 558410962 /nfs/dbraw/zinc/41/09/62/558410962.db2.gz XWCNOMMDSXKHJL-HSZRJFAPSA-N 0 0 411.505 5.167 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000020756992 568641487 /nfs/dbraw/zinc/64/14/87/568641487.db2.gz SQRGIMXKUGWYIC-LLVKDONJSA-N 0 0 418.925 5.423 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000020756997 568641440 /nfs/dbraw/zinc/64/14/40/568641440.db2.gz SQRGIMXKUGWYIC-NSHDSACASA-N 0 0 418.925 5.423 50 0 HKAARN CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(C)c21 ZINC000020757573 568641713 /nfs/dbraw/zinc/64/17/13/568641713.db2.gz PXJXKZIBNKMQSY-UHFFFAOYSA-N 0 0 418.950 5.069 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N(C)c3ccccc3)c12 ZINC000020758213 568641853 /nfs/dbraw/zinc/64/18/53/568641853.db2.gz QWHGZWCWNDHKHA-UHFFFAOYSA-N 0 0 410.449 5.298 50 0 HKAARN Cc1c(C(=O)Nc2cc(F)ccc2C)sc2ncnc(N(C)c3ccccc3)c12 ZINC000020758220 568642010 /nfs/dbraw/zinc/64/20/10/568642010.db2.gz FSIIEFJWJKGZSR-UHFFFAOYSA-N 0 0 406.486 5.467 50 0 HKAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000020760894 568642150 /nfs/dbraw/zinc/64/21/50/568642150.db2.gz ZFODHXWEIFDZMP-UHFFFAOYSA-N 0 0 403.507 5.223 50 0 HKAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2nc3ccc(C)cc3s2)c1C ZINC000020760950 568642106 /nfs/dbraw/zinc/64/21/06/568642106.db2.gz KMOUJVSQMNHCIW-UHFFFAOYSA-N 0 0 403.507 5.223 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2ccc(C)cc2)c1C ZINC000020761103 568642256 /nfs/dbraw/zinc/64/22/56/568642256.db2.gz IYXGNHFDJMBPHY-UHFFFAOYSA-N 0 0 408.473 5.117 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2ccc(C)cc2C)c1C ZINC000020761113 568642142 /nfs/dbraw/zinc/64/21/42/568642142.db2.gz QQGONTFNNZTOBA-UHFFFAOYSA-N 0 0 422.500 5.425 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2ccc(C)c(C)c2)c1C ZINC000020761118 568642186 /nfs/dbraw/zinc/64/21/86/568642186.db2.gz CBLALCWICKZYKZ-UHFFFAOYSA-N 0 0 422.500 5.425 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2ccc(CC)cc2)c1C ZINC000020761187 568642269 /nfs/dbraw/zinc/64/22/69/568642269.db2.gz LZKDWZMWTCJOAM-UHFFFAOYSA-N 0 0 422.500 5.371 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@@H](C)c2ccccc2)c1C ZINC000020761197 568642179 /nfs/dbraw/zinc/64/21/79/568642179.db2.gz LDXDUJBPWHDEDU-KRWDZBQOSA-N 0 0 422.500 5.047 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@H](C)c2ccccc2)c1C ZINC000020761202 568642244 /nfs/dbraw/zinc/64/22/44/568642244.db2.gz LDXDUJBPWHDEDU-QGZVFWFLSA-N 0 0 422.500 5.047 50 0 HKAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C)c2C)c1C ZINC000020761217 568642251 /nfs/dbraw/zinc/64/22/51/568642251.db2.gz KPLCVVNVDRWSEY-UHFFFAOYSA-N 0 0 422.500 5.425 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cccc(SC)c2)c1C ZINC000020761222 568642216 /nfs/dbraw/zinc/64/22/16/568642216.db2.gz IUIPXMGQEHAKTB-UHFFFAOYSA-N 0 0 422.550 5.391 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCC2=CCCCC2)c1C ZINC000020761227 568642176 /nfs/dbraw/zinc/64/21/76/568642176.db2.gz HOBXNIMRXUJKAS-UHFFFAOYSA-N 0 0 408.542 5.037 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020761264 568642334 /nfs/dbraw/zinc/64/23/34/568642334.db2.gz PSZWMDWDUVGZCK-UHFFFAOYSA-N 0 0 410.901 5.357 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000020761371 568642480 /nfs/dbraw/zinc/64/24/80/568642480.db2.gz STKIIFZXYRFXSL-UHFFFAOYSA-N 0 0 410.901 5.357 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NCc2ccccc2Cl)cc1 ZINC000020761400 568642477 /nfs/dbraw/zinc/64/24/77/568642477.db2.gz RENCQJQSPSARST-UHFFFAOYSA-N 0 0 424.928 5.035 50 0 HKAARN CCOc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(OC)cc2)cc1 ZINC000020761417 568642423 /nfs/dbraw/zinc/64/24/23/568642423.db2.gz JTFSTIKLUMDSDP-UHFFFAOYSA-N 0 0 420.509 5.102 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000020761432 568642447 /nfs/dbraw/zinc/64/24/47/568642447.db2.gz YRLBDDQFOVNAAT-UHFFFAOYSA-N 0 0 424.928 5.665 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000020761480 568642378 /nfs/dbraw/zinc/64/23/78/568642378.db2.gz JQXZKXNEEMOGNY-UHFFFAOYSA-N 0 0 418.537 5.827 50 0 HKAARN CCc1cccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(OC)cc2)c1 ZINC000020761485 568642429 /nfs/dbraw/zinc/64/24/29/568642429.db2.gz FXYHELUHZKBGPW-UHFFFAOYSA-N 0 0 404.510 5.266 50 0 HKAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000020761513 568642458 /nfs/dbraw/zinc/64/24/58/568642458.db2.gz BTKDNHHDHVNJLU-UHFFFAOYSA-N 0 0 404.510 5.320 50 0 HKAARN COc1ccc(-c2nc(-c3cc4cc5c(C)c(C)oc5cc4oc3=O)cs2)cc1 ZINC000020761636 568458372 /nfs/dbraw/zinc/45/83/72/568458372.db2.gz YIYIUGXJFVLQPJ-UHFFFAOYSA-N 0 0 403.459 5.955 50 0 biogenic HKAARN CSc1cccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)c1 ZINC000020761705 568642425 /nfs/dbraw/zinc/64/24/25/568642425.db2.gz OTAINSPKYJXUGF-UHFFFAOYSA-N 0 0 410.514 5.556 50 0 HKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020767500 568643521 /nfs/dbraw/zinc/64/35/21/568643521.db2.gz GYTIMCAIMJZASR-UHFFFAOYSA-N 0 0 423.390 6.040 50 0 HKAARN O=C(NCCc1ccccc1Cl)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000020767553 568643419 /nfs/dbraw/zinc/64/34/19/568643419.db2.gz TXRKASIVBDLVEK-UHFFFAOYSA-N 0 0 403.865 5.086 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767837 568643491 /nfs/dbraw/zinc/64/34/91/568643491.db2.gz FNECWUBYKVMBGG-UHFFFAOYSA-N 0 0 403.507 5.107 50 0 HKAARN CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)cc1 ZINC000020767944 568643498 /nfs/dbraw/zinc/64/34/98/568643498.db2.gz BFBQSWADEJZVCP-UHFFFAOYSA-N 0 0 421.497 5.157 50 0 HKAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C(C)C)cc4)c(=O)n23)cc1 ZINC000020768067 568643472 /nfs/dbraw/zinc/64/34/72/568643472.db2.gz RACQVHPWKCJWEM-UHFFFAOYSA-N 0 0 403.507 5.107 50 0 HKAARN CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1 ZINC000020768223 568643507 /nfs/dbraw/zinc/64/35/07/568643507.db2.gz BRZKBHSHBXWJTM-UHFFFAOYSA-N 0 0 417.534 5.326 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O ZINC000020768230 568643543 /nfs/dbraw/zinc/64/35/43/568643543.db2.gz HNSKDMOBYNJWKD-UHFFFAOYSA-N 0 0 417.534 5.109 50 0 HKAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4c(C)cccc4C(C)C)c(=O)n23)cc1 ZINC000020768233 568643479 /nfs/dbraw/zinc/64/34/79/568643479.db2.gz ZIZDXJGCZNKVMO-UHFFFAOYSA-N 0 0 417.534 5.416 50 0 HKAARN CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785290 558413483 /nfs/dbraw/zinc/41/34/83/558413483.db2.gz DJXRSSMCEHZUTC-GOSISDBHSA-N 0 0 410.539 5.205 50 0 HKAARN CCOc1ccc(-c2nc(CN3CCC[C@H](C(=O)c4cccs4)C3)c(C)o2)cc1 ZINC000020785294 558413512 /nfs/dbraw/zinc/41/35/12/558413512.db2.gz DJXRSSMCEHZUTC-SFHVURJKSA-N 0 0 410.539 5.205 50 0 HKAARN O=C1C2=C(c3ccccc3CC23CCCCC3)N2CCCN=C2N1Cc1ccccc1 ZINC000020790190 558413903 /nfs/dbraw/zinc/41/39/03/558413903.db2.gz CNTBEKAKKACMIX-UHFFFAOYSA-N 0 0 411.549 5.008 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000020806720 568644018 /nfs/dbraw/zinc/64/40/18/568644018.db2.gz GTUBVNAFNBUZIC-UHFFFAOYSA-N 0 0 417.509 5.399 50 0 HKAARN COc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1OC ZINC000020807855 568644085 /nfs/dbraw/zinc/64/40/85/568644085.db2.gz KEYHDRLAJCMBOP-UHFFFAOYSA-N 0 0 408.401 5.098 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 ZINC000020807858 568643979 /nfs/dbraw/zinc/64/39/79/568643979.db2.gz BXXAWDIDPCLOBA-UHFFFAOYSA-N 0 0 408.401 5.098 50 0 HKAARN O=C(c1cccc(F)c1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000020807902 558416255 /nfs/dbraw/zinc/41/62/55/558416255.db2.gz XDJUNOQKPROFSN-VWLOTQADSA-N 0 0 416.540 6.362 50 0 HKAARN O=C(c1cccc(F)c1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000020807905 558416316 /nfs/dbraw/zinc/41/63/16/558416316.db2.gz XDJUNOQKPROFSN-RUZDIDTESA-N 0 0 416.540 6.362 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 ZINC000020807931 558416202 /nfs/dbraw/zinc/41/62/02/558416202.db2.gz UJAOLNKMOZJBRD-NTCAYCPXSA-N 0 0 420.468 6.715 50 0 HKAARN Cc1ccc2cccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)c2n1 ZINC000020807978 568644339 /nfs/dbraw/zinc/64/43/39/568644339.db2.gz GCEJDXQXVNCRSO-UHFFFAOYSA-N 0 0 406.441 5.569 50 0 HKAARN Cc1ccc2[nH]c(Sc3c(=O)[nH]c4cc(Cl)ccc4c3-c3ccccc3)nc2c1 ZINC000020808325 568644310 /nfs/dbraw/zinc/64/43/10/568644310.db2.gz PMYMLHOMVLLUAH-UHFFFAOYSA-N 0 0 417.921 6.184 50 0 HKAARN CCCc1cc(=O)[nH]c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)n1 ZINC000020808336 568644269 /nfs/dbraw/zinc/64/42/69/568644269.db2.gz NAJKYSSBWPADSL-UHFFFAOYSA-N 0 0 423.925 5.448 50 0 HKAARN CSc1nsc(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)n1 ZINC000020808339 568644314 /nfs/dbraw/zinc/64/43/14/568644314.db2.gz YIQFRJARILQFEI-UHFFFAOYSA-N 0 0 417.968 5.573 50 0 HKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1 ZINC000020808394 568644348 /nfs/dbraw/zinc/64/43/48/568644348.db2.gz BUWCJLCGHMVHAO-KPKJPENVSA-N 0 0 402.881 6.417 50 0 HKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1Cl ZINC000020808397 558416276 /nfs/dbraw/zinc/41/62/76/558416276.db2.gz SMKNCNOFQGQVOH-UHFFFAOYSA-N 0 0 405.885 6.227 50 0 HKAARN Nc1nc(SCc2ccccc2)nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000020813221 558416430 /nfs/dbraw/zinc/41/64/30/558416430.db2.gz FPVOUZPPQMUNLM-UHFFFAOYSA-N 0 0 418.591 5.124 50 0 HKAARN CCSc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020813464 558416587 /nfs/dbraw/zinc/41/65/87/558416587.db2.gz YDRXBWIHRSSQJB-UHFFFAOYSA-N 0 0 414.600 5.193 50 0 HKAARN Cc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)cc1 ZINC000020813608 558416522 /nfs/dbraw/zinc/41/65/22/558416522.db2.gz SOIHMXHEXQRSPU-UHFFFAOYSA-N 0 0 419.575 5.134 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000020841723 558417401 /nfs/dbraw/zinc/41/74/01/558417401.db2.gz HQURADBGCHNJFE-UHFFFAOYSA-N 0 0 424.331 5.469 50 0 HKAARN Brc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000020847333 568644562 /nfs/dbraw/zinc/64/45/62/568644562.db2.gz FGCPIGZHKXFXGW-UHFFFAOYSA-N 0 0 414.302 6.738 50 0 HKAARN Cc1ccc2c(c1)-c1nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)c1CO2 ZINC000020847376 568644593 /nfs/dbraw/zinc/64/45/93/568644593.db2.gz KEXOWOQGQMIFSZ-UHFFFAOYSA-N 0 0 401.868 7.076 50 0 HKAARN Cc1ccc2c(c1)-c1nc(-c3ccc(Cl)cc3)cc(-c3ccc(F)cc3)c1CO2 ZINC000020847381 568644615 /nfs/dbraw/zinc/64/46/15/568644615.db2.gz JSWIHXQXCPHZIU-UHFFFAOYSA-N 0 0 401.868 7.076 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2COc2ccc(C)cc2-3)cc1 ZINC000020847387 568644589 /nfs/dbraw/zinc/64/45/89/568644589.db2.gz GMWHXOYXLUQYQI-UHFFFAOYSA-N 0 0 413.904 6.945 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2COc2ccc(Cl)cc2-3)cc1 ZINC000020847409 568644509 /nfs/dbraw/zinc/64/45/09/568644509.db2.gz YZDVYWKAEYCFJW-UHFFFAOYSA-N 0 0 401.868 7.076 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)c3c(n2)-c2cc(Cl)ccc2OC3)cc1 ZINC000020847412 568644521 /nfs/dbraw/zinc/64/45/21/568644521.db2.gz VXNYHGUOPJIGEY-UHFFFAOYSA-N 0 0 405.831 6.907 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c2COc2ccc(Cl)cc2-3)cc1 ZINC000020847415 568644480 /nfs/dbraw/zinc/64/44/80/568644480.db2.gz IRLNZBISTLLLSI-UHFFFAOYSA-N 0 0 413.904 6.945 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000020847430 568644478 /nfs/dbraw/zinc/64/44/78/568644478.db2.gz JDOTZAKQVSYAGE-UHFFFAOYSA-N 0 0 401.868 7.076 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1 ZINC000020847439 568644578 /nfs/dbraw/zinc/64/45/78/568644578.db2.gz KPXXNPIRXZPUEC-UHFFFAOYSA-N 0 0 401.868 7.076 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1 ZINC000020847442 568644523 /nfs/dbraw/zinc/64/45/23/568644523.db2.gz CBJIAIIMRLANOH-UHFFFAOYSA-N 0 0 405.831 6.907 50 0 HKAARN Fc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000020847448 568644495 /nfs/dbraw/zinc/64/44/95/568644495.db2.gz QEEHVTVKVYEASL-UHFFFAOYSA-N 0 0 405.831 6.907 50 0 HKAARN O=c1c2ccccc2occ1-c1cc(-c2ccc(F)cc2)nc2c1COc1ccccc1-2 ZINC000020847469 568644574 /nfs/dbraw/zinc/64/45/74/568644574.db2.gz LEHARDZOLLUIEW-UHFFFAOYSA-N 0 0 421.427 6.221 50 0 HKAARN CCCN(CCC)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21 ZINC000020848553 568644791 /nfs/dbraw/zinc/64/47/91/568644791.db2.gz FXYWFLCCSJXPLJ-UHFFFAOYSA-N 0 0 413.447 5.590 50 0 HKAARN CCCCN(CC)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21 ZINC000020848560 568644750 /nfs/dbraw/zinc/64/47/50/568644750.db2.gz PCGRKRFNPRNISC-UHFFFAOYSA-N 0 0 413.447 5.590 50 0 HKAARN Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccccc5)c4oc3=O)n2)cc1 ZINC000020849017 568644810 /nfs/dbraw/zinc/64/48/10/568644810.db2.gz BQQAGRDXLDFUSW-UHFFFAOYSA-N 0 0 410.429 5.397 50 0 HKAARN COc1cccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)/c(=N/O)oc21 ZINC000020849178 568644798 /nfs/dbraw/zinc/64/47/98/568644798.db2.gz WJQYUSXWZPWTOP-NKFKGCMQSA-N 0 0 419.289 5.829 50 0 HKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)nc1-c1ccc(C)cc1 ZINC000020850577 568644988 /nfs/dbraw/zinc/64/49/88/568644988.db2.gz MULFNMBAVMIARP-INIZCTEOSA-N 0 0 416.502 5.288 50 0 HKAARN Cc1sc(-c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)nc1-c1ccc(C)cc1 ZINC000020850580 568644942 /nfs/dbraw/zinc/64/49/42/568644942.db2.gz MULFNMBAVMIARP-MRXNPFEDSA-N 0 0 416.502 5.288 50 0 HKAARN O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4cccc(Cl)c4)cs3)cc21 ZINC000020850583 568644927 /nfs/dbraw/zinc/64/49/27/568644927.db2.gz IVFJVNWUNUDNSS-ZDUSSCGKSA-N 0 0 422.893 5.325 50 0 HKAARN O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4cccc(Cl)c4)cs3)cc21 ZINC000020850586 568644946 /nfs/dbraw/zinc/64/49/46/568644946.db2.gz IVFJVNWUNUDNSS-CYBMUJFWSA-N 0 0 422.893 5.325 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020851018 568644964 /nfs/dbraw/zinc/64/49/64/568644964.db2.gz VYBQWHVESVKPTD-OAQYLSRUSA-N 0 0 422.937 5.973 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020851021 568645059 /nfs/dbraw/zinc/64/50/59/568645059.db2.gz VYBQWHVESVKPTD-NRFANRHFSA-N 0 0 422.937 5.973 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000020851024 568645008 /nfs/dbraw/zinc/64/50/08/568645008.db2.gz OPEULGVDMCZVME-HSZRJFAPSA-N 0 0 416.546 5.936 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000020851027 568644986 /nfs/dbraw/zinc/64/49/86/568644986.db2.gz OPEULGVDMCZVME-QHCPKHFHSA-N 0 0 416.546 5.936 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccccc2F)cc1 ZINC000020851037 568644981 /nfs/dbraw/zinc/64/49/81/568644981.db2.gz YLOXDXXDQDYIAR-OAQYLSRUSA-N 0 0 406.482 5.458 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccccc2F)cc1 ZINC000020851040 568644954 /nfs/dbraw/zinc/64/49/54/568644954.db2.gz YLOXDXXDQDYIAR-NRFANRHFSA-N 0 0 406.482 5.458 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000020851043 568645038 /nfs/dbraw/zinc/64/50/38/568645038.db2.gz IHUMBAAPFMZYNK-JOCHJYFZSA-N 0 0 402.519 5.628 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000020851046 568645011 /nfs/dbraw/zinc/64/50/11/568645011.db2.gz IHUMBAAPFMZYNK-QFIPXVFZSA-N 0 0 402.519 5.628 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccccc2C)cc1 ZINC000020851049 568644958 /nfs/dbraw/zinc/64/49/58/568644958.db2.gz NPXCZNKNFWTITF-JOCHJYFZSA-N 0 0 402.519 5.628 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccccc2C)cc1 ZINC000020851052 568645056 /nfs/dbraw/zinc/64/50/56/568645056.db2.gz NPXCZNKNFWTITF-QFIPXVFZSA-N 0 0 402.519 5.628 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@@H]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000020851061 568644932 /nfs/dbraw/zinc/64/49/32/568644932.db2.gz RXDGHWOIOJTXNF-HSZRJFAPSA-N 0 0 416.546 5.936 50 0 HKAARN COc1ccc(C2=Nc3ccccc3S[C@H]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000020851064 568644926 /nfs/dbraw/zinc/64/49/26/568644926.db2.gz RXDGHWOIOJTXNF-QHCPKHFHSA-N 0 0 416.546 5.936 50 0 HKAARN Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3N=C2c2ccc(F)cc2)c(C)c1 ZINC000020851071 568644996 /nfs/dbraw/zinc/64/49/96/568644996.db2.gz SAWROXIKVYBZQP-QFIPXVFZSA-N 0 0 404.510 6.066 50 0 HKAARN Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3N=C2c2ccc(F)cc2)c(C)c1 ZINC000020851074 568644950 /nfs/dbraw/zinc/64/49/50/568644950.db2.gz SAWROXIKVYBZQP-JOCHJYFZSA-N 0 0 404.510 6.066 50 0 HKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c3ccccc3c(Br)cc21 ZINC000020851407 558417393 /nfs/dbraw/zinc/41/73/93/558417393.db2.gz WOAOETWOLYYIQG-SFHVURJKSA-N 0 0 424.338 6.255 50 0 HKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c3ccccc3c(Br)cc21 ZINC000020851410 558417384 /nfs/dbraw/zinc/41/73/84/558417384.db2.gz WOAOETWOLYYIQG-GOSISDBHSA-N 0 0 424.338 6.255 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851413 558417339 /nfs/dbraw/zinc/41/73/39/558417339.db2.gz JDWXYVNHFLDFGW-SFHVURJKSA-N 0 0 410.311 5.865 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851416 558417490 /nfs/dbraw/zinc/41/74/90/558417490.db2.gz JDWXYVNHFLDFGW-GOSISDBHSA-N 0 0 410.311 5.865 50 0 HKAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851431 558417606 /nfs/dbraw/zinc/41/76/06/558417606.db2.gz OEPKTPBCLGWPHN-SFHVURJKSA-N 0 0 410.311 5.864 50 0 HKAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851434 558417565 /nfs/dbraw/zinc/41/75/65/558417565.db2.gz OEPKTPBCLGWPHN-GOSISDBHSA-N 0 0 410.311 5.864 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1OC ZINC000020852417 568644960 /nfs/dbraw/zinc/64/49/60/568644960.db2.gz ZDLACXRYGRNNJC-NRFANRHFSA-N 0 0 421.884 5.609 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1OC ZINC000020852421 568645320 /nfs/dbraw/zinc/64/53/20/568645320.db2.gz ZDLACXRYGRNNJC-OAQYLSRUSA-N 0 0 421.884 5.609 50 0 HKAARN Cc1cc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)ccc1Br ZINC000020852465 568645177 /nfs/dbraw/zinc/64/51/77/568645177.db2.gz UGHCQUZONFBTQR-UHFFFAOYSA-N 0 0 420.310 6.087 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c(OC)c1 ZINC000020852689 568645235 /nfs/dbraw/zinc/64/52/35/568645235.db2.gz XBUOZNINQUANOJ-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c(OC)c1 ZINC000020852693 568645293 /nfs/dbraw/zinc/64/52/93/568645293.db2.gz XBUOZNINQUANOJ-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(OC)c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000020852747 568645221 /nfs/dbraw/zinc/64/52/21/568645221.db2.gz NXCXQKJXKJJNOC-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(OC)c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000020852751 568645168 /nfs/dbraw/zinc/64/51/68/568645168.db2.gz NXCXQKJXKJJNOC-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020853033 568645280 /nfs/dbraw/zinc/64/52/80/568645280.db2.gz NPUCWQGWUFDPGM-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020853037 568645193 /nfs/dbraw/zinc/64/51/93/568645193.db2.gz NPUCWQGWUFDPGM-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c(OC)c1 ZINC000020853041 568645188 /nfs/dbraw/zinc/64/51/88/568645188.db2.gz CEUFRAVPBNQTHB-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c(OC)c1 ZINC000020853045 568645258 /nfs/dbraw/zinc/64/52/58/568645258.db2.gz CEUFRAVPBNQTHB-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1cc(N[C@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)cc(OC)c1 ZINC000020853101 568645195 /nfs/dbraw/zinc/64/51/95/568645195.db2.gz DAXGZYFGOVGJMV-NRFANRHFSA-N 0 0 405.429 5.094 50 0 HKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)cc(OC)c1 ZINC000020853106 568645179 /nfs/dbraw/zinc/64/51/79/568645179.db2.gz DAXGZYFGOVGJMV-OAQYLSRUSA-N 0 0 405.429 5.094 50 0 HKAARN COc1ccc(C)cc1NCc1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000020853137 568645167 /nfs/dbraw/zinc/64/51/67/568645167.db2.gz JRFWDDFWUWBTKY-UHFFFAOYSA-N 0 0 405.885 5.986 50 0 HKAARN COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C34CC5CC(CC(C5)C3)C4)nn21 ZINC000020853493 568645173 /nfs/dbraw/zinc/64/51/73/568645173.db2.gz NQKQGDCCZKPWLO-UHFFFAOYSA-N 0 0 423.948 5.306 50 0 HKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cc(Cl)c(OC)cc1OC ZINC000020853564 568645166 /nfs/dbraw/zinc/64/51/66/568645166.db2.gz VNABRFHYTZYCMK-UHFFFAOYSA-N 0 0 423.904 5.076 50 0 HKAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cc(C)c(Cl)cc1OC ZINC000020853568 568645297 /nfs/dbraw/zinc/64/52/97/568645297.db2.gz ZDAGSQVXOFEYIV-UHFFFAOYSA-N 0 0 407.905 5.376 50 0 HKAARN Cc1cc(NC(=O)c2ccc3c(c2)noc3-c2ccccc2)ccc1Br ZINC000020853602 568645254 /nfs/dbraw/zinc/64/52/54/568645254.db2.gz JFQSMJQUQJNDGI-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN O=C(Nc1noc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000020853636 568645328 /nfs/dbraw/zinc/64/53/28/568645328.db2.gz RSZMQDYLFGTIOF-UHFFFAOYSA-N 0 0 410.807 6.193 50 0 HKAARN O=C(Nc1noc(-c2cccc(F)c2)c1-c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000020853639 568645191 /nfs/dbraw/zinc/64/51/91/568645191.db2.gz UZAAAIKIETZAQF-UHFFFAOYSA-N 0 0 410.807 6.193 50 0 HKAARN O=C(Cc1ccccc1)Nc1noc(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000020853693 568645175 /nfs/dbraw/zinc/64/51/75/568645175.db2.gz OYYDSFQUJATCQC-UHFFFAOYSA-N 0 0 402.881 5.767 50 0 HKAARN Cc1ccc(C(=O)Nc2noc(-c3ccc(C)cc3)c2-c2ccccc2Cl)cc1 ZINC000020853697 568645169 /nfs/dbraw/zinc/64/51/69/568645169.db2.gz VZZCSDQCUZVUDV-UHFFFAOYSA-N 0 0 402.881 6.531 50 0 HKAARN Cc1ccccc1C(=O)Nc1noc(-c2ccccc2C)c1-c1ccccc1Cl ZINC000020853701 568645181 /nfs/dbraw/zinc/64/51/81/568645181.db2.gz HQHQJUWCXPNKGL-UHFFFAOYSA-N 0 0 402.881 6.531 50 0 HKAARN COc1ccc(-c2nc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000020854200 558417460 /nfs/dbraw/zinc/41/74/60/558417460.db2.gz XEFVZADSZRPIFG-UHFFFAOYSA-N 0 0 416.525 5.093 50 0 HKAARN O=C(CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1)NCc1ccco1 ZINC000020854890 568645426 /nfs/dbraw/zinc/64/54/26/568645426.db2.gz NMDOXZGAGWYBKQ-UHFFFAOYSA-N 0 0 423.925 5.399 50 0 HKAARN Cc1[nH]nc2c1[C@H](c1ccc(C(C)(C)C)cc1)N(c1ccc(Br)cc1)C2=O ZINC000020855046 568645451 /nfs/dbraw/zinc/64/54/51/568645451.db2.gz HKULIAWZDDWKBG-FQEVSTJZSA-N 0 0 424.342 5.528 50 0 HKAARN Cc1[nH]nc2c1[C@@H](c1ccc(C(C)(C)C)cc1)N(c1ccc(Br)cc1)C2=O ZINC000020855050 568645400 /nfs/dbraw/zinc/64/54/00/568645400.db2.gz HKULIAWZDDWKBG-HXUWFJFHSA-N 0 0 424.342 5.528 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccccc1Cl ZINC000020856073 568645555 /nfs/dbraw/zinc/64/55/55/568645555.db2.gz ZMLGPEOCOINHIS-UHFFFAOYSA-N 0 0 417.361 6.151 50 0 HKAARN COc1ccccc1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000020856082 568645396 /nfs/dbraw/zinc/64/53/96/568645396.db2.gz FITIIUWVPBDQOZ-UHFFFAOYSA-N 0 0 412.942 5.506 50 0 HKAARN COc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000020856090 568645468 /nfs/dbraw/zinc/64/54/68/568645468.db2.gz GPUUZTKTLVKCTD-UHFFFAOYSA-N 0 0 412.942 5.506 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccccc1F ZINC000020856094 568645461 /nfs/dbraw/zinc/64/54/61/568645461.db2.gz FCRLRGMZLHEHBB-UHFFFAOYSA-N 0 0 400.906 5.637 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000020856098 568645431 /nfs/dbraw/zinc/64/54/31/568645431.db2.gz GKLIUJYYJJMHAA-UHFFFAOYSA-N 0 0 410.970 6.115 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccc(Cl)cc1 ZINC000020856107 568645457 /nfs/dbraw/zinc/64/54/57/568645457.db2.gz CMORXYZYMCBNQV-UHFFFAOYSA-N 0 0 417.361 6.151 50 0 HKAARN CCc1cccc(C)c1NC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000020856112 568645475 /nfs/dbraw/zinc/64/54/75/568645475.db2.gz UVHWVGXZSYFWLR-UHFFFAOYSA-N 0 0 424.997 6.369 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1ccc(F)cc1F ZINC000020856117 568645529 /nfs/dbraw/zinc/64/55/29/568645529.db2.gz CONLOUHCJFDVJL-UHFFFAOYSA-N 0 0 418.896 5.776 50 0 HKAARN Cc1ccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c(C)c1 ZINC000020856122 568645526 /nfs/dbraw/zinc/64/55/26/568645526.db2.gz QFJBDKNEFMERTD-UHFFFAOYSA-N 0 0 410.970 6.115 50 0 HKAARN Cc1cccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1C ZINC000020856127 568645545 /nfs/dbraw/zinc/64/55/45/568645545.db2.gz MNIKXUFRULRVDA-UHFFFAOYSA-N 0 0 410.970 6.115 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)Nc1cccc(F)c1 ZINC000020856141 568645553 /nfs/dbraw/zinc/64/55/53/568645553.db2.gz ACZXCRQTHVKZKP-UHFFFAOYSA-N 0 0 400.906 5.637 50 0 HKAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCCc1ccccc1 ZINC000020856145 568645414 /nfs/dbraw/zinc/64/54/14/568645414.db2.gz HHETVZHOTSCRCF-UHFFFAOYSA-N 0 0 424.997 5.608 50 0 HKAARN CC(=O)c1cccc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000020856155 568645435 /nfs/dbraw/zinc/64/54/35/568645435.db2.gz BCTUUKCGJZDHPK-UHFFFAOYSA-N 0 0 424.953 5.700 50 0 HKAARN C[C@@H](Sc1c2cc(Cl)ccc2nc2c1CCCC2)C(=O)NCc1ccco1 ZINC000020856158 568645448 /nfs/dbraw/zinc/64/54/48/568645448.db2.gz PAYNFGUISRCWLP-CYBMUJFWSA-N 0 0 400.931 5.157 50 0 HKAARN C[C@H](Sc1c2cc(Cl)ccc2nc2c1CCCC2)C(=O)NCc1ccco1 ZINC000020856163 568645455 /nfs/dbraw/zinc/64/54/55/568645455.db2.gz PAYNFGUISRCWLP-ZDUSSCGKSA-N 0 0 400.931 5.157 50 0 HKAARN CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000020857642 568645688 /nfs/dbraw/zinc/64/56/88/568645688.db2.gz DWYVWXPONWDNRK-UHFFFAOYSA-N 0 0 414.958 5.101 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000020858435 568645750 /nfs/dbraw/zinc/64/57/50/568645750.db2.gz PVBJGTDTORDTDQ-GOTSBHOMSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000020858441 568645786 /nfs/dbraw/zinc/64/57/86/568645786.db2.gz PVBJGTDTORDTDQ-XZOQPEGZSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000020858445 568645761 /nfs/dbraw/zinc/64/57/61/568645761.db2.gz PVBJGTDTORDTDQ-PKTZIBPZSA-N 0 0 418.562 5.632 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000020858450 568645805 /nfs/dbraw/zinc/64/58/05/568645805.db2.gz PVBJGTDTORDTDQ-DHIUTWEWSA-N 0 0 418.562 5.632 50 0 HKAARN O=c1cc(COc2cccc(C(F)(F)F)c2)nc2scc(-c3ccccc3)n21 ZINC000020858836 568645815 /nfs/dbraw/zinc/64/58/15/568645815.db2.gz SGDQETQOTMHUKU-UHFFFAOYSA-N 0 0 402.397 5.021 50 0 HKAARN CCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859533 568645659 /nfs/dbraw/zinc/64/56/59/568645659.db2.gz AEYFLOYNFYXGEK-UHFFFAOYSA-N 0 0 405.811 5.439 50 0 HKAARN CCN(CC)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859553 568645699 /nfs/dbraw/zinc/64/56/99/568645699.db2.gz KNSRUXVCMQCSRZ-UHFFFAOYSA-N 0 0 419.838 5.463 50 0 HKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)c1 ZINC000020859565 568645662 /nfs/dbraw/zinc/64/56/62/568645662.db2.gz UKARXZYRXJVURN-UHFFFAOYSA-N 0 0 417.822 5.217 50 0 HKAARN CC(C)Nc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccc(Cl)cc21 ZINC000020859601 568645650 /nfs/dbraw/zinc/64/56/50/568645650.db2.gz IFRKXXRDAMJMSR-UHFFFAOYSA-N 0 0 405.811 5.437 50 0 HKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NC2CC2)c2cc(Cl)ccc23)c1 ZINC000020859651 568645898 /nfs/dbraw/zinc/64/58/98/568645898.db2.gz SNZXABJLNKHSTP-UHFFFAOYSA-N 0 0 403.795 5.191 50 0 HKAARN Cc1cccc(-c2nnn3c2nc(NC2CCCCCCC2)c2cc(Cl)ccc23)c1 ZINC000020859747 568645927 /nfs/dbraw/zinc/64/59/27/568645927.db2.gz WPLWEKCTYFXCAH-UHFFFAOYSA-N 0 0 419.960 6.431 50 0 HKAARN CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1cc(C)ccc1C)CC2 ZINC000020860533 568645936 /nfs/dbraw/zinc/64/59/36/568645936.db2.gz OVEOILKIRPPUPI-UHFFFAOYSA-N 0 0 414.553 5.457 50 0 biogenic HKAARN CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1C)CC2 ZINC000020860538 568645996 /nfs/dbraw/zinc/64/59/96/568645996.db2.gz KCLKHYSLOMGQPM-UHFFFAOYSA-N 0 0 400.526 5.149 50 0 biogenic HKAARN CCc1ccccc1NC(=O)N1CCC2(CC1)c1cccn1-c1ccccc1N2CC ZINC000020860546 568646042 /nfs/dbraw/zinc/64/60/42/568646042.db2.gz IGXGUHPHAZVKJS-UHFFFAOYSA-N 0 0 414.553 5.403 50 0 biogenic HKAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1 ZINC000020860675 568646037 /nfs/dbraw/zinc/64/60/37/568646037.db2.gz SDBGVUDTJSKXCH-UHFFFAOYSA-N 0 0 412.493 5.014 50 0 HKAARN Fc1ccc(Cn2c3cnccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000020864345 568646409 /nfs/dbraw/zinc/64/64/09/568646409.db2.gz MVOOQCHFQDECOD-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN CN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccc(Br)cc1 ZINC000020865211 568646401 /nfs/dbraw/zinc/64/64/01/568646401.db2.gz DSBCZBDUKGTTGE-UHFFFAOYSA-N 0 0 416.365 6.060 50 0 HKAARN Fc1ccccc1Cn1c2cnccc2nc1SCc1c(F)cccc1Cl ZINC000020865795 568646494 /nfs/dbraw/zinc/64/64/94/568646494.db2.gz NADPOWHOXJEDSV-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN Fc1cccc(Cn2c3cnccc3nc2SCc2c(F)cccc2Cl)c1 ZINC000020865798 568646395 /nfs/dbraw/zinc/64/63/95/568646395.db2.gz CXLSPFTWBZIRKO-UHFFFAOYSA-N 0 0 401.869 5.704 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020865962 568646517 /nfs/dbraw/zinc/64/65/17/568646517.db2.gz UDJVGADFAKNXKW-UHFFFAOYSA-N 0 0 410.399 5.243 50 0 HKAARN Cc1cc(C)nc(CNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)n1 ZINC000020865989 558417846 /nfs/dbraw/zinc/41/78/46/558417846.db2.gz LTJPFMPAPVACFS-UHFFFAOYSA-N 0 0 421.907 5.028 50 0 HKAARN CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn32)cc1 ZINC000020867714 568646847 /nfs/dbraw/zinc/64/68/47/568646847.db2.gz YVUMLSXAQQTMKG-UHFFFAOYSA-N 0 0 417.896 5.221 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)N(c1ccccc1)C(=O)C2 ZINC000020867963 568646921 /nfs/dbraw/zinc/64/69/21/568646921.db2.gz CNPNJQOGCWPALK-SANMLTNESA-N 0 0 401.506 5.471 50 0 HKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)N(c1ccccc1)C(=O)C2 ZINC000020867966 568646931 /nfs/dbraw/zinc/64/69/31/568646931.db2.gz CNPNJQOGCWPALK-AREMUKBSSA-N 0 0 401.506 5.471 50 0 HKAARN Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000020868140 558418151 /nfs/dbraw/zinc/41/81/51/558418151.db2.gz COAKSLPODVJFJI-DEOSSOPVSA-N 0 0 413.477 5.046 50 0 HKAARN Cc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000020868143 558418128 /nfs/dbraw/zinc/41/81/28/558418128.db2.gz COAKSLPODVJFJI-XMMPIXPASA-N 0 0 413.477 5.046 50 0 HKAARN CCOc1ccc(C2=Nc3cc(OCC)ccc3N=C(c3ccc(F)cc3)N2)cc1 ZINC000020868450 568647218 /nfs/dbraw/zinc/64/72/18/568647218.db2.gz LQMVJERBYHVPNI-UHFFFAOYSA-N 0 0 403.457 5.574 50 0 HKAARN COc1ccc(C2=Nc3cc(Cl)ccc3N=C(c3ccc(F)cc3)N2)cc1OC ZINC000020868487 568647113 /nfs/dbraw/zinc/64/71/13/568647113.db2.gz ZELMFHVNZCLNGV-UHFFFAOYSA-N 0 0 409.848 5.447 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3OCCc4ccccc43)cc2)cc1Cl ZINC000020868729 568647151 /nfs/dbraw/zinc/64/71/51/568647151.db2.gz GWKFGIQEWGTUKC-JOCHJYFZSA-N 0 0 420.896 5.153 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)cc1Cl ZINC000020868732 568647134 /nfs/dbraw/zinc/64/71/34/568647134.db2.gz GWKFGIQEWGTUKC-QFIPXVFZSA-N 0 0 420.896 5.153 50 0 HKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(-c3ccc(Cl)cc3)nc2n1 ZINC000020888762 568647544 /nfs/dbraw/zinc/64/75/44/568647544.db2.gz CBHRZDAQMUTEDB-UHFFFAOYSA-N 0 0 403.795 5.516 50 0 HKAARN Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000020888774 568647414 /nfs/dbraw/zinc/64/74/14/568647414.db2.gz SRDTTZXQRYFLOT-UHFFFAOYSA-N 0 0 405.933 6.103 50 0 HKAARN Cc1cc(Nc2cccc(Cl)c2C)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000020888778 568647513 /nfs/dbraw/zinc/64/75/13/568647513.db2.gz HLSJUSUAZRAQBY-UHFFFAOYSA-N 0 0 405.933 6.103 50 0 HKAARN CCc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891088 568647614 /nfs/dbraw/zinc/64/76/14/568647614.db2.gz GCJPFJCCOHUXGD-FQEVSTJZSA-N 0 0 420.563 5.128 50 0 HKAARN CCc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891092 568647815 /nfs/dbraw/zinc/64/78/15/568647815.db2.gz GCJPFJCCOHUXGD-HXUWFJFHSA-N 0 0 420.563 5.128 50 0 HKAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000020892229 568647951 /nfs/dbraw/zinc/64/79/51/568647951.db2.gz LJHKDNMYGJXASY-FQEVSTJZSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000020892232 568647861 /nfs/dbraw/zinc/64/78/61/568647861.db2.gz LJHKDNMYGJXASY-HXUWFJFHSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1Cl ZINC000020892235 568647883 /nfs/dbraw/zinc/64/78/83/568647883.db2.gz MNVYDYDKGIISNH-FQEVSTJZSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1Cl ZINC000020892239 568647960 /nfs/dbraw/zinc/64/79/60/568647960.db2.gz MNVYDYDKGIISNH-HXUWFJFHSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892328 568648208 /nfs/dbraw/zinc/64/82/08/568648208.db2.gz DPVKQHZCEJKFMK-FQEVSTJZSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892333 568648199 /nfs/dbraw/zinc/64/81/99/568648199.db2.gz DPVKQHZCEJKFMK-HXUWFJFHSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892337 568648150 /nfs/dbraw/zinc/64/81/50/568648150.db2.gz JHBYYQLBQPUJQD-FQEVSTJZSA-N 0 0 413.930 5.008 50 0 HKAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892341 568648169 /nfs/dbraw/zinc/64/81/69/568648169.db2.gz JHBYYQLBQPUJQD-HXUWFJFHSA-N 0 0 413.930 5.008 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892506 568648181 /nfs/dbraw/zinc/64/81/81/568648181.db2.gz RRVCUKLNGFKFSE-SFHVURJKSA-N 0 0 421.419 5.113 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892510 568648167 /nfs/dbraw/zinc/64/81/67/568648167.db2.gz RRVCUKLNGFKFSE-GOSISDBHSA-N 0 0 421.419 5.113 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892522 568648122 /nfs/dbraw/zinc/64/81/22/568648122.db2.gz HPTJHZHOXPMBEG-LJQANCHMSA-N 0 0 417.456 5.283 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892526 568648204 /nfs/dbraw/zinc/64/82/04/568648204.db2.gz HPTJHZHOXPMBEG-IBGZPJMESA-N 0 0 417.456 5.283 50 0 HKAARN CCN(CC)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020892806 568648200 /nfs/dbraw/zinc/64/82/00/568648200.db2.gz FDBAMZHIFDNFOK-QHCPKHFHSA-N 0 0 420.582 5.110 50 0 HKAARN CCN(CC)c1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020892811 568648193 /nfs/dbraw/zinc/64/81/93/568648193.db2.gz FDBAMZHIFDNFOK-HSZRJFAPSA-N 0 0 420.582 5.110 50 0 HKAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892834 568648143 /nfs/dbraw/zinc/64/81/43/568648143.db2.gz CXYDUOIWLWEKGB-IBGZPJMESA-N 0 0 415.971 5.331 50 0 HKAARN CSc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892838 568648088 /nfs/dbraw/zinc/64/80/88/568648088.db2.gz CXYDUOIWLWEKGB-LJQANCHMSA-N 0 0 415.971 5.331 50 0 HKAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892840 568648184 /nfs/dbraw/zinc/64/81/84/568648184.db2.gz AFDAGKJVSXUIIS-IBGZPJMESA-N 0 0 415.971 5.331 50 0 HKAARN CSc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892843 568648156 /nfs/dbraw/zinc/64/81/56/568648156.db2.gz AFDAGKJVSXUIIS-LJQANCHMSA-N 0 0 415.971 5.331 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892977 568648354 /nfs/dbraw/zinc/64/83/54/568648354.db2.gz UNLGWCNDXCBPMS-QFIPXVFZSA-N 0 0 407.539 5.051 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000020892981 568648403 /nfs/dbraw/zinc/64/84/03/568648403.db2.gz UNLGWCNDXCBPMS-JOCHJYFZSA-N 0 0 407.539 5.051 50 0 HKAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020893142 558420050 /nfs/dbraw/zinc/42/00/50/558420050.db2.gz MDPKHDXFJQEIRA-UHFFFAOYSA-N 0 0 404.558 5.109 50 0 HKAARN CCCCNC(=O)c1sc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)nc1C ZINC000020893467 568648390 /nfs/dbraw/zinc/64/83/90/568648390.db2.gz RDYYRWDQCKMLTQ-UHFFFAOYSA-N 0 0 416.978 5.028 50 0 HKAARN CCCCNC(=O)c1sc(-n2nc(C)c(Cc3ccccc3Cl)c2C)nc1C ZINC000020893509 568648397 /nfs/dbraw/zinc/64/83/97/568648397.db2.gz WFVOOKVDHAHWLN-UHFFFAOYSA-N 0 0 416.978 5.028 50 0 HKAARN Cc1nc(-n2nc(C)c(Cc3ccc(C)cc3)c2C)sc1C(=O)N1CCC(C)CC1 ZINC000020893572 568648399 /nfs/dbraw/zinc/64/83/99/568648399.db2.gz GJZQDXBLKJZDSB-UHFFFAOYSA-N 0 0 422.598 5.025 50 0 HKAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCCCC3)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893585 568648401 /nfs/dbraw/zinc/64/84/01/568648401.db2.gz RNFICNUGOHQFAT-UHFFFAOYSA-N 0 0 422.598 5.169 50 0 HKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c(C)c1Cc1ccc(C)cc1 ZINC000020893593 568648409 /nfs/dbraw/zinc/64/84/09/568648409.db2.gz YLHJRCWLKBNHHM-UHFFFAOYSA-N 0 0 416.550 5.406 50 0 HKAARN O=C(CCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020894269 568648592 /nfs/dbraw/zinc/64/85/92/568648592.db2.gz XOLGQKDNGITPAL-UHFFFAOYSA-N 0 0 401.797 5.042 50 0 HKAARN O=C(CCCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020894289 568648637 /nfs/dbraw/zinc/64/86/37/568648637.db2.gz DMAZPQHWQHVJEK-UHFFFAOYSA-N 0 0 415.824 5.432 50 0 HKAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000020894613 568648584 /nfs/dbraw/zinc/64/85/84/568648584.db2.gz HEPQGPPXWAGSLG-UHFFFAOYSA-N 0 0 414.509 5.445 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(Cl)cc2)cc1 ZINC000020894640 568648646 /nfs/dbraw/zinc/64/86/46/568648646.db2.gz CXLPZXZJOSYVIM-UHFFFAOYSA-N 0 0 420.900 5.616 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2Cl)cc1 ZINC000020894643 568648603 /nfs/dbraw/zinc/64/86/03/568648603.db2.gz NJJXLIBUBPCINF-UHFFFAOYSA-N 0 0 420.900 5.616 50 0 HKAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc(Cl)c2)cc1 ZINC000020894646 568648624 /nfs/dbraw/zinc/64/86/24/568648624.db2.gz CPPPUSYDLUMGBR-UHFFFAOYSA-N 0 0 420.900 5.616 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 ZINC000020894843 568648575 /nfs/dbraw/zinc/64/85/75/568648575.db2.gz ULPXJQYMJFBNBV-UHFFFAOYSA-N 0 0 413.568 5.180 50 0 HKAARN CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 ZINC000020894846 568648630 /nfs/dbraw/zinc/64/86/30/568648630.db2.gz GHOPBTOQJLZFAZ-UHFFFAOYSA-N 0 0 413.568 5.036 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 ZINC000020894881 568648559 /nfs/dbraw/zinc/64/85/59/568648559.db2.gz VPUGNWJZFHWDEP-UHFFFAOYSA-N 0 0 413.568 5.464 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CC(C)C)cc2s1 ZINC000020894884 568648601 /nfs/dbraw/zinc/64/86/01/568648601.db2.gz GJIAJDHKJUXLNZ-UHFFFAOYSA-N 0 0 413.568 5.320 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 ZINC000020895010 568648618 /nfs/dbraw/zinc/64/86/18/568648618.db2.gz LXSMJFXKYGDUJC-UHFFFAOYSA-N 0 0 413.568 5.383 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c(C)c1 ZINC000020895012 568648595 /nfs/dbraw/zinc/64/85/95/568648595.db2.gz JBEUCGQHVGQNDX-UHFFFAOYSA-N 0 0 413.568 5.238 50 0 HKAARN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)c1ccc(Br)cc1 ZINC000020895056 568648546 /nfs/dbraw/zinc/64/85/46/568648546.db2.gz ZQPINLNTSUTADH-SNVBAGLBSA-N 0 0 418.341 5.070 50 0 HKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccccc1 ZINC000020895057 568648632 /nfs/dbraw/zinc/64/86/32/568648632.db2.gz OPZBNURCTNXAPE-UHFFFAOYSA-N 0 0 406.532 5.720 50 0 HKAARN C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)c1ccc(Br)cc1 ZINC000020895059 568648634 /nfs/dbraw/zinc/64/86/34/568648634.db2.gz ZQPINLNTSUTADH-JTQLQIEISA-N 0 0 418.341 5.070 50 0 HKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccc(F)cc1 ZINC000020895060 568648563 /nfs/dbraw/zinc/64/85/63/568648563.db2.gz FNALHIIBICUGEK-UHFFFAOYSA-N 0 0 424.522 5.859 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 ZINC000020895063 568648636 /nfs/dbraw/zinc/64/86/36/568648636.db2.gz YATNPMMBQIVPKI-UHFFFAOYSA-N 0 0 420.559 6.028 50 0 HKAARN O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1cccc(F)c1 ZINC000020895085 568648610 /nfs/dbraw/zinc/64/86/10/568648610.db2.gz YDTKXAKATPNBMI-UHFFFAOYSA-N 0 0 424.522 5.859 50 0 HKAARN O=C(Cc1ccccc1)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000020895089 568648627 /nfs/dbraw/zinc/64/86/27/568648627.db2.gz RXKSEMIBTGKGAO-UHFFFAOYSA-N 0 0 420.559 5.649 50 0 HKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000020895092 568648648 /nfs/dbraw/zinc/64/86/48/568648648.db2.gz CJYCMBDEDAEALE-UHFFFAOYSA-N 0 0 420.559 6.028 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1 ZINC000020895103 568648520 /nfs/dbraw/zinc/64/85/20/568648520.db2.gz ZKDVTLGQGQJRLM-UHFFFAOYSA-N 0 0 400.569 5.905 50 0 HKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)CC(C)C)cc3s2)cc1 ZINC000020895105 568648587 /nfs/dbraw/zinc/64/85/87/568648587.db2.gz NIKXYUDFUWMHBY-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN Cc1ccc(OCCSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)cc1 ZINC000020895109 568648641 /nfs/dbraw/zinc/64/86/41/568648641.db2.gz WYGILWUGESJPLQ-UHFFFAOYSA-N 0 0 400.569 5.760 50 0 HKAARN CCC(CC)C(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1 ZINC000020895112 568648557 /nfs/dbraw/zinc/64/85/57/568648557.db2.gz PMYDVCAAIZECMK-UHFFFAOYSA-N 0 0 414.596 6.151 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCCOc3cc(C)cc(C)c3)sc2c1 ZINC000020895155 568648629 /nfs/dbraw/zinc/64/86/29/568648629.db2.gz IGJRWOWEFRGQLR-UHFFFAOYSA-N 0 0 400.569 5.823 50 0 HKAARN Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 ZINC000020895158 568648589 /nfs/dbraw/zinc/64/85/89/568648589.db2.gz MCDGPGWOMMEEPL-UHFFFAOYSA-N 0 0 400.569 5.679 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCCOc3cc(C)cc(C)c3)sc2c1 ZINC000020895161 568648782 /nfs/dbraw/zinc/64/87/82/568648782.db2.gz HAFUQEXHAJDCND-UHFFFAOYSA-N 0 0 414.596 6.213 50 0 HKAARN Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c1 ZINC000020895164 568648773 /nfs/dbraw/zinc/64/87/73/568648773.db2.gz ROOSJNVXLACITF-UHFFFAOYSA-N 0 0 414.596 6.069 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 ZINC000020895173 568648838 /nfs/dbraw/zinc/64/88/38/568648838.db2.gz WYYBARILHIIYMC-UHFFFAOYSA-N 0 0 406.960 5.859 50 0 HKAARN CC(C)C(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 ZINC000020895177 568648819 /nfs/dbraw/zinc/64/88/19/568648819.db2.gz ZYWPEPQLKNMWCU-UHFFFAOYSA-N 0 0 406.960 5.715 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 ZINC000020895179 568648779 /nfs/dbraw/zinc/64/87/79/568648779.db2.gz OBJDLVYSDGVSSB-UHFFFAOYSA-N 0 0 420.987 6.250 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3OC)sc2c1 ZINC000020895185 568648888 /nfs/dbraw/zinc/64/88/88/568648888.db2.gz SWIMHICAIDHJQH-UHFFFAOYSA-N 0 0 416.568 5.523 50 0 HKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccc2c(c1)OCO2 ZINC000020895223 568648876 /nfs/dbraw/zinc/64/88/76/568648876.db2.gz ACJXVIXMLHWTFZ-UHFFFAOYSA-N 0 0 420.515 5.570 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 ZINC000020895256 558420064 /nfs/dbraw/zinc/42/00/64/558420064.db2.gz QLLGFFVMNAGVJC-SNVBAGLBSA-N 0 0 423.719 5.516 50 0 HKAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 ZINC000020895259 558420040 /nfs/dbraw/zinc/42/00/40/558420040.db2.gz QLLGFFVMNAGVJC-JTQLQIEISA-N 0 0 423.719 5.516 50 0 HKAARN O=C(COc1ccc(Br)cc1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000020896866 558420024 /nfs/dbraw/zinc/42/00/24/558420024.db2.gz OFSSRAWPAFTWKZ-UHFFFAOYSA-N 0 0 420.303 5.262 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2sc3ccccc3c2Cl)cc1 ZINC000020896905 558419997 /nfs/dbraw/zinc/41/99/97/558419997.db2.gz OGTWBTAJKRBODH-UHFFFAOYSA-N 0 0 413.951 6.472 50 0 HKAARN Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)oc2cc(C)cc(C)c12 ZINC000020897023 558420213 /nfs/dbraw/zinc/42/02/13/558420213.db2.gz BBLNVVYLKRGNHQ-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000020897063 568649348 /nfs/dbraw/zinc/64/93/48/568649348.db2.gz WUXUFQCLIRDWDR-UHFFFAOYSA-N 0 0 412.898 5.566 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000020897066 568649446 /nfs/dbraw/zinc/64/94/46/568649446.db2.gz CSJDJRLEMGKWQK-UHFFFAOYSA-N 0 0 412.898 5.566 50 0 HKAARN Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1-c1nc2ccccc2s1 ZINC000020897093 568649414 /nfs/dbraw/zinc/64/94/14/568649414.db2.gz XGDFBRZPYBNCDB-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000020897303 558420236 /nfs/dbraw/zinc/42/02/36/558420236.db2.gz NIZQWDBGNIPSDF-CQSZACIVSA-N 0 0 400.931 5.123 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000020897306 558420279 /nfs/dbraw/zinc/42/02/79/558420279.db2.gz NIZQWDBGNIPSDF-AWEZNQCLSA-N 0 0 400.931 5.123 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O ZINC000020897576 558420274 /nfs/dbraw/zinc/42/02/74/558420274.db2.gz GYEOAPDJXOSWFJ-NRFANRHFSA-N 0 0 403.570 5.434 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O ZINC000020897580 558420244 /nfs/dbraw/zinc/42/02/44/558420244.db2.gz GYEOAPDJXOSWFJ-OAQYLSRUSA-N 0 0 403.570 5.434 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1F ZINC000020898226 558420218 /nfs/dbraw/zinc/42/02/18/558420218.db2.gz DGADESCDTUVORC-UHFFFAOYSA-N 0 0 400.409 5.272 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000020898700 568649376 /nfs/dbraw/zinc/64/93/76/568649376.db2.gz WRGQYIRQOKBFAX-LJQANCHMSA-N 0 0 401.894 5.056 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000020898702 568649402 /nfs/dbraw/zinc/64/94/02/568649402.db2.gz WRGQYIRQOKBFAX-IBGZPJMESA-N 0 0 401.894 5.056 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020898717 568649383 /nfs/dbraw/zinc/64/93/83/568649383.db2.gz BCUJPPMMOYNJGT-LJQANCHMSA-N 0 0 417.456 5.283 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020898719 568649354 /nfs/dbraw/zinc/64/93/54/568649354.db2.gz BCUJPPMMOYNJGT-IBGZPJMESA-N 0 0 417.456 5.283 50 0 HKAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2cccs2)N(c2ccc(F)cc2)C1=O ZINC000020899390 568649629 /nfs/dbraw/zinc/64/96/29/568649629.db2.gz CEQZTPWZKRMEMA-LJQANCHMSA-N 0 0 409.511 5.885 50 0 HKAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2cccs2)N(c2ccc(F)cc2)C1=O ZINC000020899392 568649616 /nfs/dbraw/zinc/64/96/16/568649616.db2.gz CEQZTPWZKRMEMA-IBGZPJMESA-N 0 0 409.511 5.885 50 0 HKAARN CCOc1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 ZINC000020900048 568649624 /nfs/dbraw/zinc/64/96/24/568649624.db2.gz POJSHEQQYYBLDT-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN Cc1c(C(=O)N2CCc3ccccc32)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900638 568649834 /nfs/dbraw/zinc/64/98/34/568649834.db2.gz CQFVZLQDPBDVHO-UHFFFAOYSA-N 0 0 415.489 5.612 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900646 568649786 /nfs/dbraw/zinc/64/97/86/568649786.db2.gz RMMYIGZDTITXGH-HZPDHXFCSA-N 0 0 409.526 5.527 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900648 568649827 /nfs/dbraw/zinc/64/98/27/568649827.db2.gz RMMYIGZDTITXGH-IYBDPMFKSA-N 0 0 409.526 5.527 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900651 568649826 /nfs/dbraw/zinc/64/98/26/568649826.db2.gz RMMYIGZDTITXGH-HOTGVXAUSA-N 0 0 409.526 5.527 50 0 biogenic HKAARN Cc1c(C(=O)NC2CCC(C)CC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900665 568649776 /nfs/dbraw/zinc/64/97/76/568649776.db2.gz URSBTECZIKDJHW-UHFFFAOYSA-N 0 0 409.526 5.718 50 0 biogenic HKAARN Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900669 568649879 /nfs/dbraw/zinc/64/98/79/568649879.db2.gz TYBONULLRHCAMP-UHFFFAOYSA-N 0 0 421.537 6.030 50 0 biogenic HKAARN Cc1c(C(=O)N2CCCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900671 568649862 /nfs/dbraw/zinc/64/98/62/568649862.db2.gz CCPOURVTHLGUPL-UHFFFAOYSA-N 0 0 409.526 5.816 50 0 biogenic HKAARN Cc1c(C(=O)N2CCC(C)CC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900673 568649844 /nfs/dbraw/zinc/64/98/44/568649844.db2.gz PWGDTSCNCXKZBO-UHFFFAOYSA-N 0 0 409.526 5.672 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900681 568649878 /nfs/dbraw/zinc/64/98/78/568649878.db2.gz VJOBSDJYYVQGOO-IAGOWNOFSA-N 0 0 423.553 5.918 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900683 568649808 /nfs/dbraw/zinc/64/98/08/568649808.db2.gz VJOBSDJYYVQGOO-CALCHBBNSA-N 0 0 423.553 5.918 50 0 biogenic HKAARN Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900686 568649839 /nfs/dbraw/zinc/64/98/39/568649839.db2.gz VJOBSDJYYVQGOO-IRXDYDNUSA-N 0 0 423.553 5.918 50 0 biogenic HKAARN Cc1c(C(=O)NC2CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900703 568649778 /nfs/dbraw/zinc/64/97/78/568649778.db2.gz TYRSZCUXEAOLDK-UHFFFAOYSA-N 0 0 409.526 5.862 50 0 biogenic HKAARN C=C1C(Nc2ccc(OC)c(Cl)c2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020901069 568649851 /nfs/dbraw/zinc/64/98/51/568649851.db2.gz NRUJLPSTOTVKGE-UHFFFAOYSA-N 0 0 404.919 5.057 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000020902654 132471450 /nfs/dbraw/zinc/47/14/50/132471450.db2.gz VKQYURNCOOQPPJ-UHFFFAOYSA-N 0 0 412.537 5.466 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCC1 ZINC000020903396 569326971 /nfs/dbraw/zinc/32/69/71/569326971.db2.gz NMGAUNKZDPGNMJ-SANMLTNESA-N 0 0 421.585 5.028 50 0 HKAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCC1 ZINC000020903398 568650626 /nfs/dbraw/zinc/65/06/26/568650626.db2.gz NMGAUNKZDPGNMJ-AREMUKBSSA-N 0 0 421.585 5.028 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000020904248 568650632 /nfs/dbraw/zinc/65/06/32/568650632.db2.gz KKLFCKSADPLPLY-VXKWHMMOSA-N 0 0 422.525 5.463 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000020904250 568650563 /nfs/dbraw/zinc/65/05/63/568650563.db2.gz KKLFCKSADPLPLY-FCHUYYIVSA-N 0 0 422.525 5.463 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000020904252 568650630 /nfs/dbraw/zinc/65/06/30/568650630.db2.gz KKLFCKSADPLPLY-YADHBBJMSA-N 0 0 422.525 5.463 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000020904254 568650586 /nfs/dbraw/zinc/65/05/86/568650586.db2.gz KKLFCKSADPLPLY-FGZHOGPDSA-N 0 0 422.525 5.463 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 ZINC000020904256 568650580 /nfs/dbraw/zinc/65/05/80/568650580.db2.gz YXVWRDWPQXHAHQ-VXKWHMMOSA-N 0 0 410.583 5.134 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 ZINC000020904258 569064648 /nfs/dbraw/zinc/06/46/48/569064648.db2.gz YXVWRDWPQXHAHQ-FCHUYYIVSA-N 0 0 410.583 5.134 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 ZINC000020904260 568650602 /nfs/dbraw/zinc/65/06/02/568650602.db2.gz YXVWRDWPQXHAHQ-YADHBBJMSA-N 0 0 410.583 5.134 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 ZINC000020904262 568650589 /nfs/dbraw/zinc/65/05/89/568650589.db2.gz YXVWRDWPQXHAHQ-FGZHOGPDSA-N 0 0 410.583 5.134 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@@H]1c1cccs1 ZINC000020904271 568650625 /nfs/dbraw/zinc/65/06/25/568650625.db2.gz XDWKMEUHPTXFMS-VXKWHMMOSA-N 0 0 410.583 5.087 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@H]1c1cccs1 ZINC000020904273 568650644 /nfs/dbraw/zinc/65/06/44/568650644.db2.gz XDWKMEUHPTXFMS-FCHUYYIVSA-N 0 0 410.583 5.087 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1cccs1 ZINC000020904275 568650634 /nfs/dbraw/zinc/65/06/34/568650634.db2.gz XDWKMEUHPTXFMS-YADHBBJMSA-N 0 0 410.583 5.087 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@H]1c1cccs1 ZINC000020904277 568650621 /nfs/dbraw/zinc/65/06/21/568650621.db2.gz XDWKMEUHPTXFMS-FGZHOGPDSA-N 0 0 410.583 5.087 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCC(C)CC2)[C@@H]1c1cccs1 ZINC000020904379 568650578 /nfs/dbraw/zinc/65/05/78/568650578.db2.gz GVLCZMNNLNNFDW-RKGHMJSLSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCC(C)CC2)[C@H]1c1cccs1 ZINC000020904380 568650550 /nfs/dbraw/zinc/65/05/50/568650550.db2.gz GVLCZMNNLNNFDW-PWMHSPGYSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCC(C)CC2)[C@@H]1c1cccs1 ZINC000020904381 568650568 /nfs/dbraw/zinc/65/05/68/568650568.db2.gz GVLCZMNNLNNFDW-QKRATHMNSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCC(C)CC2)[C@H]1c1cccs1 ZINC000020904382 568650572 /nfs/dbraw/zinc/65/05/72/568650572.db2.gz GVLCZMNNLNNFDW-VPLHRKNASA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904383 568650628 /nfs/dbraw/zinc/65/06/28/568650628.db2.gz IZMYGGHMZINCIX-NOHMWWQBSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904384 568650559 /nfs/dbraw/zinc/65/05/59/568650559.db2.gz IZMYGGHMZINCIX-HQAQVQPGSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 ZINC000020904451 568650613 /nfs/dbraw/zinc/65/06/13/568650613.db2.gz ZYMYLNGNZURRKJ-GOTSBHOMSA-N 0 0 418.562 5.001 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2)[C@H]1c1cccs1 ZINC000020904452 568650595 /nfs/dbraw/zinc/65/05/95/568650595.db2.gz ZYMYLNGNZURRKJ-XZOQPEGZSA-N 0 0 418.562 5.001 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 ZINC000020904453 568650615 /nfs/dbraw/zinc/65/06/15/568650615.db2.gz ZYMYLNGNZURRKJ-PKTZIBPZSA-N 0 0 418.562 5.001 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2)[C@H]1c1cccs1 ZINC000020904454 568650555 /nfs/dbraw/zinc/65/05/55/568650555.db2.gz ZYMYLNGNZURRKJ-DHIUTWEWSA-N 0 0 418.562 5.001 50 0 HKAARN COc1cccc(-n2cc(C(=O)N(C(C)C)C3CCCCC3)c3ccccc3c2=O)c1 ZINC000020904523 568650607 /nfs/dbraw/zinc/65/06/07/568650607.db2.gz XLPNUCMPVWFPEB-UHFFFAOYSA-N 0 0 418.537 5.183 50 0 HKAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3cccnc32)c1 ZINC000020907815 558421341 /nfs/dbraw/zinc/42/13/41/558421341.db2.gz CBDKDBMMYZFYRI-MHZLTWQESA-N 0 0 405.501 5.569 50 0 HKAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3cccnc32)c1 ZINC000020907818 558421335 /nfs/dbraw/zinc/42/13/35/558421335.db2.gz CBDKDBMMYZFYRI-HHHXNRCGSA-N 0 0 405.501 5.569 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000020913118 568460556 /nfs/dbraw/zinc/46/05/56/568460556.db2.gz BNRSLBPKYGCJRD-UHFFFAOYSA-N 0 0 410.901 5.871 50 0 HKAARN Cc1cccc2sc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)nc21 ZINC000020915466 568460533 /nfs/dbraw/zinc/46/05/33/568460533.db2.gz MWZNUJWCTXAIKB-UHFFFAOYSA-N 0 0 407.109 5.866 50 0 HKAARN O=C(c1ccc(OC2CCN(C/C(Cl)=C/c3ccccc3)CC2)cc1)N1CCCC1 ZINC000020919838 558423369 /nfs/dbraw/zinc/42/33/69/558423369.db2.gz KNBQJKHOQNVEEA-PYCFMQQDSA-N 0 0 424.972 5.046 50 0 HKAARN FC(F)(F)c1cccc(CSc2nc3cccnc3n2Cc2ccccn2)c1 ZINC000020927669 568651570 /nfs/dbraw/zinc/65/15/70/568651570.db2.gz ZDGDOYFVIAQNRB-UHFFFAOYSA-N 0 0 400.429 5.186 50 0 HKAARN Fc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)cc1 ZINC000020927675 568651627 /nfs/dbraw/zinc/65/16/27/568651627.db2.gz OWXOORKCSQQZFK-UHFFFAOYSA-N 0 0 417.431 5.930 50 0 HKAARN Cc1ccc(C)c(N2CCN(C(=O)C3=Cc4sc5c(c4CS3)CCCC5)CC2)c1 ZINC000020931482 568651792 /nfs/dbraw/zinc/65/17/92/568651792.db2.gz LXAVCXILORFCCG-UHFFFAOYSA-N 0 0 424.635 5.180 50 0 HKAARN Cc1cccc(N2CCN(C(=O)C3=Cc4sc5c(c4CS3)CCCC5)C[C@H]2C)c1 ZINC000020931494 568651819 /nfs/dbraw/zinc/65/18/19/568651819.db2.gz OZGRHHMJNJKGQZ-QGZVFWFLSA-N 0 0 424.635 5.260 50 0 HKAARN Cc1cccc(N2CCN(C(=O)C3=Cc4sc5c(c4CS3)CCCC5)C[C@@H]2C)c1 ZINC000020931500 568651781 /nfs/dbraw/zinc/65/17/81/568651781.db2.gz OZGRHHMJNJKGQZ-KRWDZBQOSA-N 0 0 424.635 5.260 50 0 HKAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCC(Cc2ccccc2)CC1 ZINC000020931511 568651826 /nfs/dbraw/zinc/65/18/26/568651826.db2.gz UOLWZDKEMFQXFE-UHFFFAOYSA-N 0 0 409.620 5.696 50 0 HKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc(F)cc3)CO2)cc1 ZINC000020933986 558424368 /nfs/dbraw/zinc/42/43/68/558424368.db2.gz ARZWQYPKVDODFO-UHFFFAOYSA-N 0 0 401.437 5.260 50 0 HKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc(Cl)cc3)CO2)cc1 ZINC000020933992 558424415 /nfs/dbraw/zinc/42/44/15/558424415.db2.gz RVDJFLOUUYFUIN-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 HKAARN COc1ccc(CN2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)cc1 ZINC000020933998 558424392 /nfs/dbraw/zinc/42/43/92/558424392.db2.gz XEYQUKYZQMMERC-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 HKAARN COc1cccc(CN2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)c1 ZINC000020934010 568652026 /nfs/dbraw/zinc/65/20/26/568652026.db2.gz BRTUCPZQJJYHGS-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 HKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3Cl)CO2)cc1 ZINC000020934022 558424374 /nfs/dbraw/zinc/42/43/74/558424374.db2.gz DJLQPZRWKIMGGO-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 HKAARN COc1ccccc1CN1COc2ccc3c(-c4ccc(C)cc4)cc(=O)oc3c2C1 ZINC000020934028 568652133 /nfs/dbraw/zinc/65/21/33/568652133.db2.gz BWDAVOJLQRTGBR-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 HKAARN Cc1oc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)nc1COc1ccccc1 ZINC000020934718 568652098 /nfs/dbraw/zinc/65/20/98/568652098.db2.gz LERVEQGKDXCHPL-UHFFFAOYSA-N 0 0 418.880 6.135 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000020934803 568652079 /nfs/dbraw/zinc/65/20/79/568652079.db2.gz DZABVGDPFXIVOU-PMERELPUSA-N 0 0 424.566 5.042 50 0 HKAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000020934808 568652197 /nfs/dbraw/zinc/65/21/97/568652197.db2.gz DZABVGDPFXIVOU-SSEXGKCCSA-N 0 0 424.566 5.042 50 0 HKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 ZINC000020942530 568652876 /nfs/dbraw/zinc/65/28/76/568652876.db2.gz HWFQKGUIWSCXMN-UHFFFAOYSA-N 0 0 410.539 5.426 50 0 HKAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000020943363 558424883 /nfs/dbraw/zinc/42/48/83/558424883.db2.gz MWQFFGXRZIOEPI-UHFFFAOYSA-N 0 0 412.493 5.257 50 0 HKAARN Cc1ccc2[nH]c(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000020945548 558424824 /nfs/dbraw/zinc/42/48/24/558424824.db2.gz QTMKEKBZMJXBKB-UHFFFAOYSA-N 0 0 409.533 5.024 50 0 HKAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951408 568653626 /nfs/dbraw/zinc/65/36/26/568653626.db2.gz KMQWRYJANKHKHO-RUZDIDTESA-N 0 0 412.558 5.431 50 0 HKAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951412 568653621 /nfs/dbraw/zinc/65/36/21/568653621.db2.gz KMQWRYJANKHKHO-VWLOTQADSA-N 0 0 412.558 5.431 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000020972668 568653862 /nfs/dbraw/zinc/65/38/62/568653862.db2.gz IIZJANNQXSPQER-UHFFFAOYSA-N 0 0 424.909 5.888 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2)cc1 ZINC000020974288 568653937 /nfs/dbraw/zinc/65/39/37/568653937.db2.gz LUQWCEPFRPZCII-UHFFFAOYSA-N 0 0 424.456 5.918 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000020979126 568654239 /nfs/dbraw/zinc/65/42/39/568654239.db2.gz SDPHUPVNKGMDCB-UHFFFAOYSA-N 0 0 404.901 5.494 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000020979188 568654161 /nfs/dbraw/zinc/65/41/61/568654161.db2.gz IHUISYCJMYASRB-UHFFFAOYSA-N 0 0 404.901 5.494 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979289 568654335 /nfs/dbraw/zinc/65/43/35/568654335.db2.gz NDWYVFOYHPXOEU-UHFFFAOYSA-N 0 0 420.900 5.194 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1)c1ccco1 ZINC000020981572 568654392 /nfs/dbraw/zinc/65/43/92/568654392.db2.gz URCWEZUBZFMKSA-UHFFFAOYSA-N 0 0 423.428 5.592 50 0 HKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCc3ccc(C)cc3)cc12 ZINC000020985375 568655054 /nfs/dbraw/zinc/65/50/54/568655054.db2.gz IQUOXCDKXNQCIL-UHFFFAOYSA-N 0 0 414.524 5.726 50 0 HKAARN COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)NC3CCCC3)s1)C2 ZINC000020985579 568655156 /nfs/dbraw/zinc/65/51/56/568655156.db2.gz PCJPBAFJWJPTQZ-UHFFFAOYSA-N 0 0 421.522 5.268 50 0 HKAARN CC(C)OCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000020985759 568655168 /nfs/dbraw/zinc/65/51/68/568655168.db2.gz GUUSOHYAIGDYMC-UHFFFAOYSA-N 0 0 400.588 5.340 50 0 HKAARN C[C@@H](NC(=O)c1ccc(N2CCCc3ccccc32)s1)c1ccc2c(c1)OCCO2 ZINC000020985850 568655014 /nfs/dbraw/zinc/65/50/14/568655014.db2.gz YRLYWNYUSASDMF-MRXNPFEDSA-N 0 0 420.534 5.095 50 0 HKAARN C[C@H](NC(=O)c1ccc(N2CCCc3ccccc32)s1)c1ccc2c(c1)OCCO2 ZINC000020985854 568655027 /nfs/dbraw/zinc/65/50/27/568655027.db2.gz YRLYWNYUSASDMF-INIZCTEOSA-N 0 0 420.534 5.095 50 0 HKAARN CCCOc1c2ccccc2nc(SCc2ccc(F)cc2Cl)c1C(=O)OC ZINC000020986928 568655184 /nfs/dbraw/zinc/65/51/84/568655184.db2.gz JWXXHHWZTHPLER-UHFFFAOYSA-N 0 0 419.905 5.895 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3C)c2C)c1-c1ccc(F)cc1 ZINC000020987758 568655339 /nfs/dbraw/zinc/65/53/39/568655339.db2.gz GDHRNEQDHVWWPL-UHFFFAOYSA-N 0 0 408.864 5.366 50 0 HKAARN CC1CCC(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000020988141 568655366 /nfs/dbraw/zinc/65/53/66/568655366.db2.gz SWRSNFJGHMAOGR-UHFFFAOYSA-N 0 0 405.542 5.370 50 0 HKAARN O=C(Nc1ccccc1F)c1cccc(NC(=O)N2CCCCc3ccccc32)c1 ZINC000020988185 568655335 /nfs/dbraw/zinc/65/53/35/568655335.db2.gz SEZIGLNMCCPBIB-UHFFFAOYSA-N 0 0 403.457 5.453 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1 ZINC000020988197 568655404 /nfs/dbraw/zinc/65/54/04/568655404.db2.gz IHUPHWKXNFLOOV-UHFFFAOYSA-N 0 0 417.553 5.682 50 0 HKAARN O=C(NCc1ccccc1F)c1cccc(NC(=O)N2CCCCc3ccccc32)c1 ZINC000020988200 568655401 /nfs/dbraw/zinc/65/54/01/568655401.db2.gz QXGAGBBQEMWOFM-UHFFFAOYSA-N 0 0 417.484 5.131 50 0 HKAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Nc1cccc(F)c1 ZINC000020988222 568655284 /nfs/dbraw/zinc/65/52/84/568655284.db2.gz QENJIJZAYLVFRV-UHFFFAOYSA-N 0 0 417.484 5.382 50 0 HKAARN CCOc1ccccc1CNC(=O)c1ccc(N2CCSc3ccccc32)s1 ZINC000020988385 568655256 /nfs/dbraw/zinc/65/52/56/568655256.db2.gz ODTIQGJRFFBABU-UHFFFAOYSA-N 0 0 410.564 5.321 50 0 HKAARN CCOc1ccc(CNC(=O)c2ccc(N3CCSc4ccccc43)s2)cc1 ZINC000020988389 132471783 /nfs/dbraw/zinc/47/17/83/132471783.db2.gz PAKWEHCTKMTMJY-UHFFFAOYSA-N 0 0 410.564 5.321 50 0 HKAARN COc1ccccc1CNC(=O)c1ccc(N2C[C@@H](C)Sc3ccccc32)s1 ZINC000020988422 568655435 /nfs/dbraw/zinc/65/54/35/568655435.db2.gz LHPGYNSSLJTFQW-OAHLLOKOSA-N 0 0 410.564 5.319 50 0 HKAARN COc1ccccc1CNC(=O)c1ccc(N2C[C@H](C)Sc3ccccc32)s1 ZINC000020988426 537046658 /nfs/dbraw/zinc/04/66/58/537046658.db2.gz LHPGYNSSLJTFQW-HNNXBMFYSA-N 0 0 410.564 5.319 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)Sc4ccccc43)s2)c1 ZINC000020988430 568655627 /nfs/dbraw/zinc/65/56/27/568655627.db2.gz OHOXVIICNHIKKG-OAHLLOKOSA-N 0 0 410.564 5.319 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(N3C[C@H](C)Sc4ccccc43)s2)c1 ZINC000020988434 132471800 /nfs/dbraw/zinc/47/18/00/132471800.db2.gz OHOXVIICNHIKKG-HNNXBMFYSA-N 0 0 410.564 5.319 50 0 HKAARN Fc1ccc([C@@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988473 568655541 /nfs/dbraw/zinc/65/55/41/568655541.db2.gz QZKULWGHIIRENR-OAQYLSRUSA-N 0 0 407.876 5.451 50 0 HKAARN Fc1ccc([C@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988476 568655595 /nfs/dbraw/zinc/65/55/95/568655595.db2.gz QZKULWGHIIRENR-NRFANRHFSA-N 0 0 407.876 5.451 50 0 HKAARN CCOC(=O)c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988480 568655592 /nfs/dbraw/zinc/65/55/92/568655592.db2.gz CVSPRRIPDNKIMF-NRFANRHFSA-N 0 0 417.440 5.254 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988484 568655532 /nfs/dbraw/zinc/65/55/32/568655532.db2.gz CVSPRRIPDNKIMF-OAQYLSRUSA-N 0 0 417.440 5.254 50 0 HKAARN CC(=O)Nc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988635 568655439 /nfs/dbraw/zinc/65/54/39/568655439.db2.gz JIHBQMIVGUPIHY-NRFANRHFSA-N 0 0 402.429 5.036 50 0 HKAARN CC(=O)Nc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988639 568655476 /nfs/dbraw/zinc/65/54/76/568655476.db2.gz JIHBQMIVGUPIHY-OAQYLSRUSA-N 0 0 402.429 5.036 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988699 568655467 /nfs/dbraw/zinc/65/54/67/568655467.db2.gz ZKZMDTNITGLNJK-OAQYLSRUSA-N 0 0 417.440 5.254 50 0 HKAARN CCOC(=O)c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988703 568655528 /nfs/dbraw/zinc/65/55/28/568655528.db2.gz ZKZMDTNITGLNJK-NRFANRHFSA-N 0 0 417.440 5.254 50 0 HKAARN Fc1ccccc1[C@@H](Nc1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 ZINC000020988764 568655505 /nfs/dbraw/zinc/65/55/05/568655505.db2.gz GPWOPSTVHLWBQG-LJQANCHMSA-N 0 0 413.374 6.096 50 0 HKAARN Fc1ccccc1[C@H](Nc1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1 ZINC000020988767 568655537 /nfs/dbraw/zinc/65/55/37/568655537.db2.gz GPWOPSTVHLWBQG-IBGZPJMESA-N 0 0 413.374 6.096 50 0 HKAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990012 568655612 /nfs/dbraw/zinc/65/56/12/568655612.db2.gz FJKPEYORNONRGV-UHFFFAOYSA-N 0 0 416.930 5.086 50 0 HKAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990015 568655574 /nfs/dbraw/zinc/65/55/74/568655574.db2.gz FVQDMYVQXDSZNK-UHFFFAOYSA-N 0 0 416.930 5.086 50 0 HKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000020990041 568655569 /nfs/dbraw/zinc/65/55/69/568655569.db2.gz UMPJDBZSXJEIMI-UHFFFAOYSA-N 0 0 424.566 5.155 50 0 HKAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1Cl)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990070 568655698 /nfs/dbraw/zinc/65/56/98/568655698.db2.gz BGYIPKCJAXUHPM-UHFFFAOYSA-N 0 0 416.930 5.086 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000020991829 568656007 /nfs/dbraw/zinc/65/60/07/568656007.db2.gz OJDSGQARAJDHMB-UHFFFAOYSA-N 0 0 412.946 5.022 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020993251 568656187 /nfs/dbraw/zinc/65/61/87/568656187.db2.gz QCAMDMPSEXSQSC-UHFFFAOYSA-N 0 0 423.925 5.184 50 0 HKAARN Cc1ccc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)cc1Cl ZINC000020993296 568656222 /nfs/dbraw/zinc/65/62/22/568656222.db2.gz KLLCRPRGOLPTGM-UHFFFAOYSA-N 0 0 423.925 5.184 50 0 HKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000020995817 568656726 /nfs/dbraw/zinc/65/67/26/568656726.db2.gz GRHXGAGTLFWSRP-UHFFFAOYSA-N 0 0 401.432 5.494 50 0 HKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000020995819 568656651 /nfs/dbraw/zinc/65/66/51/568656651.db2.gz ZTGFDMKXRXPYPS-UHFFFAOYSA-N 0 0 401.432 5.494 50 0 HKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000020995835 568656634 /nfs/dbraw/zinc/65/66/34/568656634.db2.gz UTXIRACKWCVTAG-UHFFFAOYSA-N 0 0 415.459 5.802 50 0 HKAARN O=C(NCc1cccn1Cc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000020995844 568656692 /nfs/dbraw/zinc/65/66/92/568656692.db2.gz FSJYDRMRLKFBOW-UHFFFAOYSA-N 0 0 407.823 5.530 50 0 HKAARN O=C(NCc1cccn1Cc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000020995846 568656709 /nfs/dbraw/zinc/65/67/09/568656709.db2.gz OKMVNQHPHXNUJK-UHFFFAOYSA-N 0 0 407.823 5.530 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCSc3ncccc32)s1 ZINC000020995868 132471840 /nfs/dbraw/zinc/47/18/40/132471840.db2.gz JHMUMLMKOHEMJO-UHFFFAOYSA-N 0 0 421.469 5.658 50 0 HKAARN COc1ccc(NC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1Cl ZINC000020995895 568656734 /nfs/dbraw/zinc/65/67/34/568656734.db2.gz PLJZCDKNMFMXTC-UHFFFAOYSA-N 0 0 417.943 5.301 50 0 HKAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCSc3ncccc32)s1 ZINC000020995901 568656687 /nfs/dbraw/zinc/65/66/87/568656687.db2.gz UYCIUTIDTJUECC-UHFFFAOYSA-N 0 0 405.907 5.432 50 0 HKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996394 568657004 /nfs/dbraw/zinc/65/70/04/568657004.db2.gz BCACHLZWHGTRJN-UHFFFAOYSA-N 0 0 420.516 5.761 50 0 HKAARN CCc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996396 568656975 /nfs/dbraw/zinc/65/69/75/568656975.db2.gz ZXOGVPYHVZCOKU-UHFFFAOYSA-N 0 0 420.516 5.761 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996403 568656954 /nfs/dbraw/zinc/65/69/54/568656954.db2.gz MGQIHGDWWLFTCI-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN CCc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996405 568656933 /nfs/dbraw/zinc/65/69/33/568656933.db2.gz BOORWCVUICITEE-UHFFFAOYSA-N 0 0 424.479 5.592 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996411 568656895 /nfs/dbraw/zinc/65/68/95/568656895.db2.gz ZWBPNOJBIOFFFT-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(F)cc3c21)Nc1ccccc1 ZINC000020996417 568656923 /nfs/dbraw/zinc/65/69/23/568656923.db2.gz GCTAPFFRHJZQIO-UHFFFAOYSA-N 0 0 414.415 5.168 50 0 HKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1 ZINC000020996424 568656906 /nfs/dbraw/zinc/65/69/06/568656906.db2.gz XHTAKHMSLWKSNX-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000020996425 568657000 /nfs/dbraw/zinc/65/70/00/568657000.db2.gz XSFNCNXQSDRFFR-UHFFFAOYSA-N 0 0 424.479 5.646 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccccc32)cc1 ZINC000020996437 568656889 /nfs/dbraw/zinc/65/68/89/568656889.db2.gz QKSYDDBGMZGFNK-UHFFFAOYSA-N 0 0 406.489 5.507 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996439 568656886 /nfs/dbraw/zinc/65/68/86/568656886.db2.gz NRNPDAADTIDJEG-UHFFFAOYSA-N 0 0 420.516 5.815 50 0 HKAARN Cc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)c1 ZINC000020996449 568656913 /nfs/dbraw/zinc/65/69/13/568656913.db2.gz DPJVKNLCBZAFAH-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN Cc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccc(C)cc4c32)c1 ZINC000020996451 568656948 /nfs/dbraw/zinc/65/69/48/568656948.db2.gz BXERWCDYIPIYCW-UHFFFAOYSA-N 0 0 424.479 5.646 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996463 568656951 /nfs/dbraw/zinc/65/69/51/568656951.db2.gz JTJJSVBVZWJJQQ-UHFFFAOYSA-N 0 0 424.479 5.646 50 0 HKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)Nc1ccc(F)cc1 ZINC000020996480 568656898 /nfs/dbraw/zinc/65/68/98/568656898.db2.gz RIFIRUINRHYYPT-UHFFFAOYSA-N 0 0 414.415 5.168 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(F)c3)c3c2cnc2ccccc32)cc1 ZINC000020996486 568656874 /nfs/dbraw/zinc/65/68/74/568656874.db2.gz DZKHTYSNWSVKNY-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)Nc1cccc(F)c1 ZINC000020996492 568656860 /nfs/dbraw/zinc/65/68/60/568656860.db2.gz NVLBEMZIKHGRFN-UHFFFAOYSA-N 0 0 414.415 5.168 50 0 HKAARN CCc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4F)c3c2c1 ZINC000020996504 568656938 /nfs/dbraw/zinc/65/69/38/568656938.db2.gz LIOLQTNBHJYZMG-UHFFFAOYSA-N 0 0 424.479 5.592 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3F)c3c2cnc2ccccc32)cc1 ZINC000020996506 568656852 /nfs/dbraw/zinc/65/68/52/568656852.db2.gz QMKWMQSLIFQOHK-UHFFFAOYSA-N 0 0 410.452 5.338 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3F)c3c2cnc2ccc(C)cc32)cc1 ZINC000020996508 568656972 /nfs/dbraw/zinc/65/69/72/568656972.db2.gz GXCJLJWHOHLJDY-UHFFFAOYSA-N 0 0 424.479 5.646 50 0 HKAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)Nc1ccccc1F ZINC000020996512 568656872 /nfs/dbraw/zinc/65/68/72/568656872.db2.gz HEMRIZRNKBIQFW-UHFFFAOYSA-N 0 0 414.415 5.168 50 0 HKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)NC4CCCC4)c3c2c1 ZINC000020996518 568656979 /nfs/dbraw/zinc/65/69/79/568656979.db2.gz DCIAGRMKNOPREE-UHFFFAOYSA-N 0 0 412.537 5.181 50 0 HKAARN CCc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCC4)c3c2c1 ZINC000020996528 568656945 /nfs/dbraw/zinc/65/69/45/568656945.db2.gz GWJWFXDIZQQTIP-UHFFFAOYSA-N 0 0 416.500 5.012 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000020996536 568656855 /nfs/dbraw/zinc/65/68/55/568656855.db2.gz AOLYQTQYROYGEM-UHFFFAOYSA-N 0 0 416.500 5.148 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996541 568656857 /nfs/dbraw/zinc/65/68/57/568656857.db2.gz AXRVAPWKTFJELO-UHFFFAOYSA-N 0 0 416.500 5.148 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NCc4ccccc4)c3c2c1 ZINC000020996551 568657118 /nfs/dbraw/zinc/65/71/18/568657118.db2.gz VHBNTEQDNUOXKK-UHFFFAOYSA-N 0 0 424.479 5.015 50 0 HKAARN Cc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996555 568657068 /nfs/dbraw/zinc/65/70/68/568657068.db2.gz FSEABJNQBCYVFI-UHFFFAOYSA-N 0 0 424.479 5.015 50 0 HKAARN CCCCOc1ccc(-c2nc3ncccn3c2NCc2ccccc2OC)cc1 ZINC000020996878 568657082 /nfs/dbraw/zinc/65/70/82/568657082.db2.gz MXDOBVPGRAONAT-UHFFFAOYSA-N 0 0 402.498 5.196 50 0 HKAARN CCCCOc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1 ZINC000020996879 568657212 /nfs/dbraw/zinc/65/72/12/568657212.db2.gz JENZWQCHJJGDCL-UHFFFAOYSA-N 0 0 406.917 5.841 50 0 HKAARN Clc1ccc(CNc2c(-c3cccc(Br)c3)nc3ncccn32)cc1 ZINC000020996895 568657130 /nfs/dbraw/zinc/65/71/30/568657130.db2.gz QTMQVJAJVSYMFX-UHFFFAOYSA-N 0 0 413.706 5.424 50 0 HKAARN c1ccc(CNc2c(-c3cccc(OCc4ccccc4)c3)nc3ncccn32)cc1 ZINC000020996915 568657189 /nfs/dbraw/zinc/65/71/89/568657189.db2.gz MDJZVOXTXMTFDK-UHFFFAOYSA-N 0 0 406.489 5.587 50 0 HKAARN COc1ccccc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000020996917 568657218 /nfs/dbraw/zinc/65/72/18/568657218.db2.gz XBBDOOQQWFXJMG-UHFFFAOYSA-N 0 0 420.472 5.324 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c1C ZINC000020996919 568657209 /nfs/dbraw/zinc/65/72/09/568657209.db2.gz IRUMQWSMAHSVLQ-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)o1 ZINC000020997833 558427588 /nfs/dbraw/zinc/42/75/88/558427588.db2.gz RQERAKGWSZMDRV-VWLOTQADSA-N 0 0 402.494 5.064 50 0 HKAARN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2)o1 ZINC000020997835 558427518 /nfs/dbraw/zinc/42/75/18/558427518.db2.gz RQERAKGWSZMDRV-RUZDIDTESA-N 0 0 402.494 5.064 50 0 HKAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000020998026 558427446 /nfs/dbraw/zinc/42/74/46/558427446.db2.gz UAEFNWXKVURRCS-QNGOZBTKSA-N 0 0 420.944 5.007 50 0 HKAARN O=C(CCSc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000021000450 568460989 /nfs/dbraw/zinc/46/09/89/568460989.db2.gz QRNMNSVMRJJTKV-UHFFFAOYSA-N 0 0 416.999 5.838 50 0 HKAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1sc2ccccc2c1Cl ZINC000021000823 568657412 /nfs/dbraw/zinc/65/74/12/568657412.db2.gz FJEXZHQOMUWPIN-UHFFFAOYSA-N 0 0 412.923 5.634 50 0 HKAARN CCCCCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 ZINC000021000839 568657480 /nfs/dbraw/zinc/65/74/80/568657480.db2.gz KMFZGAHZBRYKBK-UHFFFAOYSA-N 0 0 408.523 5.335 50 0 HKAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000021000841 568657419 /nfs/dbraw/zinc/65/74/19/568657419.db2.gz ARSAFYAKWDJLBL-UHFFFAOYSA-N 0 0 412.514 5.285 50 0 HKAARN O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000021005696 132471941 /nfs/dbraw/zinc/47/19/41/132471941.db2.gz HYGORZSBHJNASG-UHFFFAOYSA-N 0 0 410.439 5.335 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)cc1Cl ZINC000021017282 568657758 /nfs/dbraw/zinc/65/77/58/568657758.db2.gz OPBBRIRVVFTBHM-UHFFFAOYSA-N 0 0 404.300 6.856 50 0 HKAARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1ccc(F)cc1F ZINC000021017344 568657611 /nfs/dbraw/zinc/65/76/11/568657611.db2.gz YAEBDNWQLKDXDE-UHFFFAOYSA-N 0 0 401.416 5.836 50 0 HKAARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1ccc(C)c(Cl)c1 ZINC000021017356 568657536 /nfs/dbraw/zinc/65/75/36/568657536.db2.gz MJUPPPRZHNUYEU-UHFFFAOYSA-N 0 0 413.908 6.520 50 0 HKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017400 568657961 /nfs/dbraw/zinc/65/79/61/568657961.db2.gz XOWTYVYLDDCRCF-UHFFFAOYSA-N 0 0 401.872 6.650 50 0 HKAARN COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017450 568657894 /nfs/dbraw/zinc/65/78/94/568657894.db2.gz JEPJIXVSEDPORG-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017460 568657943 /nfs/dbraw/zinc/65/79/43/568657943.db2.gz JGUHWOLTGHVJSG-UHFFFAOYSA-N 0 0 417.871 6.350 50 0 HKAARN Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccc(F)cc4c32)c(F)c1 ZINC000021017464 568657842 /nfs/dbraw/zinc/65/78/42/568657842.db2.gz TZFNERGZXFLUFG-UHFFFAOYSA-N 0 0 409.798 6.311 50 0 HKAARN Fc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000021017468 568657975 /nfs/dbraw/zinc/65/79/75/568657975.db2.gz PHDQQUWXIUTJGC-UHFFFAOYSA-N 0 0 408.263 6.687 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4F)c3c2c1 ZINC000021017574 568657954 /nfs/dbraw/zinc/65/79/54/568657954.db2.gz DZKQWSUNXBBYMB-UHFFFAOYSA-N 0 0 405.835 6.481 50 0 HKAARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000021017578 568657865 /nfs/dbraw/zinc/65/78/65/568657865.db2.gz FBXAZVCGAJMDNY-UHFFFAOYSA-N 0 0 404.300 6.856 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000021017591 568657942 /nfs/dbraw/zinc/65/79/42/568657942.db2.gz MADHSBGIKSEPMG-UHFFFAOYSA-N 0 0 413.908 6.520 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4F)c3c2c1 ZINC000021017595 568657818 /nfs/dbraw/zinc/65/78/18/568657818.db2.gz OTMMFMZBYNXNLQ-UHFFFAOYSA-N 0 0 405.379 5.667 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000021017599 568657920 /nfs/dbraw/zinc/65/79/20/568657920.db2.gz KCJGIPJPRORDFM-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000021017603 568657983 /nfs/dbraw/zinc/65/79/83/568657983.db2.gz TXIRGWBXRXYAFA-UHFFFAOYSA-N 0 0 417.871 6.350 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000021017607 568657952 /nfs/dbraw/zinc/65/79/52/568657952.db2.gz KLDBRZNFIAUOQR-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4F)c3c2c1 ZINC000021017612 568657982 /nfs/dbraw/zinc/65/79/82/568657982.db2.gz SPYRVUPXSAHGOY-UHFFFAOYSA-N 0 0 421.834 6.181 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000021017616 568657933 /nfs/dbraw/zinc/65/79/33/568657933.db2.gz ZAFJPNOOFKFKFF-UHFFFAOYSA-N 0 0 420.299 6.556 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(F)c4)c3c2c1 ZINC000021017620 568657910 /nfs/dbraw/zinc/65/79/10/568657910.db2.gz MAMMBOJCECFERY-UHFFFAOYSA-N 0 0 403.844 6.042 50 0 HKAARN CCc1ccccc1-n1nc(-c2ccc(Cl)cc2)c2cnc3ccc(OC)cc3c21 ZINC000021017624 568657906 /nfs/dbraw/zinc/65/79/06/568657906.db2.gz FTOUSLYQNCQTDV-UHFFFAOYSA-N 0 0 413.908 6.465 50 0 HKAARN Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)c(F)c1 ZINC000021017636 568657966 /nfs/dbraw/zinc/65/79/66/568657966.db2.gz BWMVVUIVMFAVSY-UHFFFAOYSA-N 0 0 401.372 5.248 50 0 HKAARN Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1Cl ZINC000021017639 568657980 /nfs/dbraw/zinc/65/79/80/568657980.db2.gz AMRJSHUTOLTLBH-UHFFFAOYSA-N 0 0 413.864 5.931 50 0 HKAARN COc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 ZINC000021017650 568657875 /nfs/dbraw/zinc/65/78/75/568657875.db2.gz DMAHYVNXYGIMRZ-UHFFFAOYSA-N 0 0 409.445 5.021 50 0 HKAARN Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)c(F)c1 ZINC000021017654 568657978 /nfs/dbraw/zinc/65/79/78/568657978.db2.gz AVNVGQFYFHEJAD-UHFFFAOYSA-N 0 0 415.399 5.290 50 0 HKAARN COc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(OC)c(OC)cc4c32)cc1 ZINC000021017666 568657928 /nfs/dbraw/zinc/65/79/28/568657928.db2.gz YXIXAKBWYFUMKR-UHFFFAOYSA-N 0 0 411.461 5.267 50 0 HKAARN COc1cc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC ZINC000021017677 568657929 /nfs/dbraw/zinc/65/79/29/568657929.db2.gz FGIBYBHXKMOYJR-UHFFFAOYSA-N 0 0 415.880 5.911 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCC(n2c(CC3CCCC3)nc3cccnc32)CC1 ZINC000021020376 568658346 /nfs/dbraw/zinc/65/83/46/568658346.db2.gz LXUIDQHWJKJVKS-UHFFFAOYSA-N 0 0 421.520 5.172 50 0 HKAARN O=C(Nc1ccccc1)N1CCC(n2c(CC3CCCC3)nc3cccnc32)CC1 ZINC000021020386 568658358 /nfs/dbraw/zinc/65/83/58/568658358.db2.gz MISOFXHCYBHMIL-UHFFFAOYSA-N 0 0 403.530 5.033 50 0 HKAARN Cc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)c(C)c1 ZINC000021020397 568658305 /nfs/dbraw/zinc/65/83/05/568658305.db2.gz VHXKKRJYXQJBOZ-UHFFFAOYSA-N 0 0 408.571 5.425 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021020559 568658270 /nfs/dbraw/zinc/65/82/70/568658270.db2.gz NBWGHXZVHKJNQR-UHFFFAOYSA-N 0 0 404.901 5.487 50 0 HKAARN CCOc1ccc(-c2nc(CNC(=O)Nc3ccccc3C(F)(F)F)c(C)o2)cc1 ZINC000021020587 568658297 /nfs/dbraw/zinc/65/82/97/568658297.db2.gz UTDORPZKFCQUAI-UHFFFAOYSA-N 0 0 419.403 5.389 50 0 HKAARN COc1ccc(C2=NCC(=O)N(Cc3ccccc3)c3sc4c(c32)CCCC4)cc1 ZINC000021021811 568658309 /nfs/dbraw/zinc/65/83/09/568658309.db2.gz YEGQOVGPWUHDCY-UHFFFAOYSA-N 0 0 416.546 5.020 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1 ZINC000021024296 568658539 /nfs/dbraw/zinc/65/85/39/568658539.db2.gz ZLTMLQVJHBOXPK-UHFFFAOYSA-N 0 0 408.567 5.172 50 0 HKAARN CSc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024310 568658580 /nfs/dbraw/zinc/65/85/80/568658580.db2.gz ANFCYJGMBRTNBJ-UHFFFAOYSA-N 0 0 408.567 5.172 50 0 HKAARN Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024330 568658533 /nfs/dbraw/zinc/65/85/33/568658533.db2.gz MTPXSTUWJKDBQA-HSZRJFAPSA-N 0 0 406.501 5.158 50 0 HKAARN Cc1c(C[NH2+][C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024338 568658466 /nfs/dbraw/zinc/65/84/66/568658466.db2.gz MTPXSTUWJKDBQA-QHCPKHFHSA-N 0 0 406.501 5.158 50 0 HKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024345 568658631 /nfs/dbraw/zinc/65/86/31/568658631.db2.gz MYEOIWOVLFKVNY-KRWDZBQOSA-N 0 0 408.517 5.101 50 0 HKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024352 568658554 /nfs/dbraw/zinc/65/85/54/568658554.db2.gz MYEOIWOVLFKVNY-QGZVFWFLSA-N 0 0 408.517 5.101 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000021024399 568658483 /nfs/dbraw/zinc/65/84/83/568658483.db2.gz XJMIZIDCYOZFBE-UHFFFAOYSA-N 0 0 417.336 5.448 50 0 HKAARN Cc1c(C[NH2+]Cc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000021024427 568658593 /nfs/dbraw/zinc/65/85/93/568658593.db2.gz FIKPIOLTEUREDI-UHFFFAOYSA-N 0 0 417.336 5.448 50 0 HKAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000021024442 568658547 /nfs/dbraw/zinc/65/85/47/568658547.db2.gz VAJWLYDHUPCSBJ-UHFFFAOYSA-N 0 0 417.336 5.448 50 0 HKAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000021024473 568658662 /nfs/dbraw/zinc/65/86/62/568658662.db2.gz PZKVMGKEVMIZGJ-UHFFFAOYSA-N 0 0 420.553 5.157 50 0 HKAARN CCCSCCC[NH2+]Cc1c(C)n(Cc2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC000021024491 568658639 /nfs/dbraw/zinc/65/86/39/568658639.db2.gz ALNLKLXLXYNCFN-UHFFFAOYSA-N 0 0 402.604 5.091 50 0 HKAARN Cc1c(C[NH2+]Cc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024518 568658657 /nfs/dbraw/zinc/65/86/57/568658657.db2.gz PFFIVWNCAZHCPY-UHFFFAOYSA-N 0 0 417.336 5.448 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024526 568658634 /nfs/dbraw/zinc/65/86/34/568658634.db2.gz XWUBDZZXHOSNQO-UHFFFAOYSA-N 0 0 417.336 5.448 50 0 HKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024550 568658613 /nfs/dbraw/zinc/65/86/13/568658613.db2.gz FMFOEYJITUXCQZ-INIZCTEOSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024559 568658648 /nfs/dbraw/zinc/65/86/48/568658648.db2.gz FMFOEYJITUXCQZ-MRXNPFEDSA-N 0 0 410.945 5.398 50 0 HKAARN Cc1c(C[NH2+]Cc2ccccc2Cl)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024665 568658477 /nfs/dbraw/zinc/65/84/77/568658477.db2.gz CUNORMDMIXLIER-UHFFFAOYSA-N 0 0 403.309 5.389 50 0 HKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024673 568658462 /nfs/dbraw/zinc/65/84/62/568658462.db2.gz KOQDVJOGGQCOTD-UHFFFAOYSA-N 0 0 417.336 5.431 50 0 HKAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024891 568658650 /nfs/dbraw/zinc/65/86/50/568658650.db2.gz CZZAZWPVUXZUEP-UHFFFAOYSA-N 0 0 403.309 5.389 50 0 HKAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000021024950 568658857 /nfs/dbraw/zinc/65/88/57/568658857.db2.gz IZIUGRNLQAYABC-UHFFFAOYSA-N 0 0 412.917 5.134 50 0 HKAARN CCN(CCC[NH2+]Cc1c(C)n(-c2ccc(C)cc2)c(C)c1C(=O)[O-])c1ccccc1 ZINC000021025443 568658738 /nfs/dbraw/zinc/65/87/38/568658738.db2.gz SXBNZLBRTFRZBB-UHFFFAOYSA-N 0 0 419.569 5.107 50 0 HKAARN Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025562 568658831 /nfs/dbraw/zinc/65/88/31/568658831.db2.gz ADJPMKUVFABEAL-UHFFFAOYSA-N 0 0 406.526 5.178 50 0 HKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000021033917 568659594 /nfs/dbraw/zinc/65/95/94/568659594.db2.gz XJXUKCZWGDNMLE-UHFFFAOYSA-N 0 0 402.903 5.290 50 0 HKAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cnc(C3CC3)o2)ccc1C ZINC000021033924 568659672 /nfs/dbraw/zinc/65/96/72/568659672.db2.gz JXRPEUCAEYRVPJ-UHFFFAOYSA-N 0 0 402.903 5.290 50 0 HKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000021034045 568659609 /nfs/dbraw/zinc/65/96/09/568659609.db2.gz PEHCGZCQDQIEHN-UHFFFAOYSA-N 0 0 402.903 5.290 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c(Cl)c1 ZINC000021034090 568659635 /nfs/dbraw/zinc/65/96/35/568659635.db2.gz CTZOAIRBGAAFKP-UHFFFAOYSA-N 0 0 402.903 5.290 50 0 HKAARN CSc1cccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034121 568659450 /nfs/dbraw/zinc/65/94/50/568659450.db2.gz UYVXXXAPUYGHFT-UHFFFAOYSA-N 0 0 400.525 5.050 50 0 HKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000021034210 568659573 /nfs/dbraw/zinc/65/95/73/568659573.db2.gz CUUFFFBQQDXYOG-UHFFFAOYSA-N 0 0 406.866 5.121 50 0 HKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000021034275 568659457 /nfs/dbraw/zinc/65/94/57/568659457.db2.gz LUULGPWAHLHCQB-UHFFFAOYSA-N 0 0 404.491 5.481 50 0 HKAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000021034317 568659614 /nfs/dbraw/zinc/65/96/14/568659614.db2.gz YUHZONFSMIMHND-UHFFFAOYSA-N 0 0 408.523 5.207 50 0 HKAARN CCN(CC)c1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc32)c(C)c1 ZINC000021034372 568659717 /nfs/dbraw/zinc/65/97/17/568659717.db2.gz NNLLMTCSHDSXBJ-UHFFFAOYSA-N 0 0 400.530 5.331 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021036967 527179005 /nfs/dbraw/zinc/17/90/05/527179005.db2.gz XVVLZFRGVWVTDR-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021036975 527179346 /nfs/dbraw/zinc/17/93/46/527179346.db2.gz XVVLZFRGVWVTDR-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(Cl)c1 ZINC000021037031 525180454 /nfs/dbraw/zinc/18/04/54/525180454.db2.gz FBCMYKDIIWQTLL-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(Cl)c1 ZINC000021037038 525171551 /nfs/dbraw/zinc/17/15/51/525171551.db2.gz FBCMYKDIIWQTLL-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN CCOc1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037060 521542211 /nfs/dbraw/zinc/54/22/11/521542211.db2.gz KKVOQCORBJCQCI-NRFANRHFSA-N 0 0 414.465 5.046 50 0 HKAARN CCOc1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037067 521542868 /nfs/dbraw/zinc/54/28/68/521542868.db2.gz KKVOQCORBJCQCI-OAQYLSRUSA-N 0 0 414.465 5.046 50 0 HKAARN O=C(Nc1ccccc1Cl)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037103 527417745 /nfs/dbraw/zinc/41/77/45/527417745.db2.gz PBFVNWRGOQNUPT-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1ccccc1Cl)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037110 527415656 /nfs/dbraw/zinc/41/56/56/527415656.db2.gz PBFVNWRGOQNUPT-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037187 527342754 /nfs/dbraw/zinc/34/27/54/527342754.db2.gz AJEICONBZLJKBW-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037194 527342052 /nfs/dbraw/zinc/34/20/52/527342052.db2.gz AJEICONBZLJKBW-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037215 524751551 /nfs/dbraw/zinc/75/15/51/524751551.db2.gz OAJRFPKPLBEGMV-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037223 524751782 /nfs/dbraw/zinc/75/17/82/524751782.db2.gz OAJRFPKPLBEGMV-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037231 527193002 /nfs/dbraw/zinc/19/30/02/527193002.db2.gz GOPHRQBLCNBUGP-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037238 527192942 /nfs/dbraw/zinc/19/29/42/527192942.db2.gz GOPHRQBLCNBUGP-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN CCOc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000021037275 521098419 /nfs/dbraw/zinc/09/84/19/521098419.db2.gz RCYRCQLELNJRMC-NRFANRHFSA-N 0 0 414.465 5.046 50 0 HKAARN CCOc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000021037282 521095084 /nfs/dbraw/zinc/09/50/84/521095084.db2.gz RCYRCQLELNJRMC-OAQYLSRUSA-N 0 0 414.465 5.046 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037304 525772502 /nfs/dbraw/zinc/77/25/02/525772502.db2.gz YSRANVXXXLCBIV-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037311 525772015 /nfs/dbraw/zinc/77/20/15/525772015.db2.gz YSRANVXXXLCBIV-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1F ZINC000021037397 525180052 /nfs/dbraw/zinc/18/00/52/525180052.db2.gz CFNRGZDMMFNRHD-FQEVSTJZSA-N 0 0 402.429 5.095 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1F ZINC000021037404 525173054 /nfs/dbraw/zinc/17/30/54/525173054.db2.gz CFNRGZDMMFNRHD-HXUWFJFHSA-N 0 0 402.429 5.095 50 0 HKAARN CSc1cccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000021037574 526129193 /nfs/dbraw/zinc/12/91/93/526129193.db2.gz CEBIBLYKHFREFD-FQEVSTJZSA-N 0 0 416.506 5.370 50 0 HKAARN CSc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000021037581 526127501 /nfs/dbraw/zinc/12/75/01/526127501.db2.gz CEBIBLYKHFREFD-HXUWFJFHSA-N 0 0 416.506 5.370 50 0 HKAARN O=C(Nc1ccc(F)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037616 527202902 /nfs/dbraw/zinc/20/29/02/527202902.db2.gz JVHCTRXCZITHDE-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccc(F)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037623 527200752 /nfs/dbraw/zinc/20/07/52/527200752.db2.gz JVHCTRXCZITHDE-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000021037645 526874498 /nfs/dbraw/zinc/87/44/98/526874498.db2.gz YHQRIDDRDYNJKK-LJQANCHMSA-N 0 0 410.905 5.111 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000021037653 527011796 /nfs/dbraw/zinc/01/17/96/527011796.db2.gz YHQRIDDRDYNJKK-IBGZPJMESA-N 0 0 410.905 5.111 50 0 HKAARN O=C(Nc1ccccc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037661 527394121 /nfs/dbraw/zinc/39/41/21/527394121.db2.gz SUEQONPWRIMMAE-LJQANCHMSA-N 0 0 404.857 5.301 50 0 HKAARN O=C(Nc1ccccc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037670 527393551 /nfs/dbraw/zinc/39/35/51/527393551.db2.gz SUEQONPWRIMMAE-IBGZPJMESA-N 0 0 404.857 5.301 50 0 HKAARN Cc1cccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000021037677 524639992 /nfs/dbraw/zinc/63/99/92/524639992.db2.gz HCDNQRCGECYOKP-FQEVSTJZSA-N 0 0 418.884 5.610 50 0 HKAARN Cc1cccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000021037685 524636072 /nfs/dbraw/zinc/63/60/72/524636072.db2.gz HCDNQRCGECYOKP-HXUWFJFHSA-N 0 0 418.884 5.610 50 0 HKAARN O=C(Nc1ccccc1F)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037719 527422202 /nfs/dbraw/zinc/42/22/02/527422202.db2.gz AGHMOBKZRXMCCT-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccccc1F)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037726 527421812 /nfs/dbraw/zinc/42/18/12/527421812.db2.gz AGHMOBKZRXMCCT-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1cccc(F)c1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037773 527351988 /nfs/dbraw/zinc/35/19/88/527351988.db2.gz MMDYEAVTYMKAAP-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1cccc(F)c1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000021037781 527350273 /nfs/dbraw/zinc/35/02/73/527350273.db2.gz MMDYEAVTYMKAAP-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccccc1Cl ZINC000021037992 526874363 /nfs/dbraw/zinc/87/43/63/526874363.db2.gz XMERBVKZARNRMD-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccccc1Cl ZINC000021037998 527011635 /nfs/dbraw/zinc/01/16/35/527011635.db2.gz XMERBVKZARNRMD-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(Cl)c1 ZINC000021038047 526873861 /nfs/dbraw/zinc/87/38/61/526873861.db2.gz ICLFWXRIGOVJDX-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(Cl)c1 ZINC000021038054 527012316 /nfs/dbraw/zinc/01/23/16/527012316.db2.gz ICLFWXRIGOVJDX-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(N(Cc3ccco3)C[C@@H]3CCCO3)n2)cc1 ZINC000021043043 568660077 /nfs/dbraw/zinc/66/00/77/568660077.db2.gz UGUUIKHSUJDHEU-NRFANRHFSA-N 0 0 415.493 5.084 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(N(Cc3ccco3)C[C@H]3CCCO3)n2)cc1 ZINC000021043050 568660112 /nfs/dbraw/zinc/66/01/12/568660112.db2.gz UGUUIKHSUJDHEU-OAQYLSRUSA-N 0 0 415.493 5.084 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(N(Cc3ccco3)C3CCCCC3)n2)cc1 ZINC000021043056 568660071 /nfs/dbraw/zinc/66/00/71/568660071.db2.gz IGWQZTRNWDHYLO-UHFFFAOYSA-N 0 0 413.521 6.238 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NC3CCCCCC3)cc1CC2 ZINC000021043213 568660037 /nfs/dbraw/zinc/66/00/37/568660037.db2.gz SWCGKLYLIFEXEG-UHFFFAOYSA-N 0 0 405.567 5.460 50 0 HKAARN CCc1cccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)c1 ZINC000021043317 568660139 /nfs/dbraw/zinc/66/01/39/568660139.db2.gz BGBCOOJHGUTFIF-UHFFFAOYSA-N 0 0 413.546 5.823 50 0 HKAARN COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1 ZINC000021043333 568659966 /nfs/dbraw/zinc/65/99/66/568659966.db2.gz ZFPJXMDHIDALRM-UHFFFAOYSA-N 0 0 415.518 5.269 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3ccc(Cl)cc3)cc1CC2 ZINC000021043339 568660153 /nfs/dbraw/zinc/66/01/53/568660153.db2.gz SXRREEYKKRYMHZ-UHFFFAOYSA-N 0 0 419.937 5.914 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCc3ccsc3)cc1CC2 ZINC000021043412 568659973 /nfs/dbraw/zinc/65/99/73/568659973.db2.gz JLFWJGRIDLCFIX-UHFFFAOYSA-N 0 0 419.575 5.042 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3ccc(C)c(C)c3)cc1CC2 ZINC000021043418 568660169 /nfs/dbraw/zinc/66/01/69/568660169.db2.gz VBKYILYZMJSYFU-UHFFFAOYSA-N 0 0 413.546 5.877 50 0 HKAARN Cc1cc2c(s1)CCc1cc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)sc1-2 ZINC000021043656 568660055 /nfs/dbraw/zinc/66/00/55/568660055.db2.gz BZXBKPKELKPDFC-MRXNPFEDSA-N 0 0 422.619 5.543 50 0 HKAARN Cc1cc2c(s1)CCc1cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)sc1-2 ZINC000021043663 568660027 /nfs/dbraw/zinc/66/00/27/568660027.db2.gz BZXBKPKELKPDFC-INIZCTEOSA-N 0 0 422.619 5.543 50 0 HKAARN CCCCNC(=O)c1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2)o1 ZINC000021043771 568659988 /nfs/dbraw/zinc/65/99/88/568659988.db2.gz CTGLSHBRCQUECP-UHFFFAOYSA-N 0 0 405.498 5.044 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cccc(CC)c1)[C@H]2c1ccccc1 ZINC000021045510 568660011 /nfs/dbraw/zinc/66/00/11/568660011.db2.gz PYQDNDZAZIJEAD-VWLOTQADSA-N 0 0 418.606 5.768 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cccc(CC)c1)[C@@H]2c1ccccc1 ZINC000021045516 568660175 /nfs/dbraw/zinc/66/01/75/568660175.db2.gz PYQDNDZAZIJEAD-RUZDIDTESA-N 0 0 418.606 5.768 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccccc1CC)[C@H]2c1ccccc1 ZINC000021045522 568660098 /nfs/dbraw/zinc/66/00/98/568660098.db2.gz SDDMHSJVDAZMCU-VWLOTQADSA-N 0 0 418.606 5.768 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccccc1CC)[C@@H]2c1ccccc1 ZINC000021045528 568660127 /nfs/dbraw/zinc/66/01/27/568660127.db2.gz SDDMHSJVDAZMCU-RUZDIDTESA-N 0 0 418.606 5.768 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045583 568659977 /nfs/dbraw/zinc/65/99/77/568659977.db2.gz YCPOKQGSPDDION-XMMPIXPASA-N 0 0 420.578 5.214 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045589 568660059 /nfs/dbraw/zinc/66/00/59/568660059.db2.gz YCPOKQGSPDDION-DEOSSOPVSA-N 0 0 420.578 5.214 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000021045595 568660042 /nfs/dbraw/zinc/66/00/42/568660042.db2.gz OFBSLTYLQLYWDT-RUZDIDTESA-N 0 0 418.606 5.822 50 0 HKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000021045601 568660142 /nfs/dbraw/zinc/66/01/42/568660142.db2.gz OFBSLTYLQLYWDT-VWLOTQADSA-N 0 0 418.606 5.822 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047302 568660253 /nfs/dbraw/zinc/66/02/53/568660253.db2.gz HZRRUXAKOJACCA-QHCPKHFHSA-N 0 0 418.562 5.815 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047309 568660277 /nfs/dbraw/zinc/66/02/77/568660277.db2.gz HZRRUXAKOJACCA-HSZRJFAPSA-N 0 0 418.562 5.815 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000021047315 568660215 /nfs/dbraw/zinc/66/02/15/568660215.db2.gz QPEMDQBLMOMANV-QHCPKHFHSA-N 0 0 418.562 5.815 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000021047320 568660293 /nfs/dbraw/zinc/66/02/93/568660293.db2.gz QPEMDQBLMOMANV-HSZRJFAPSA-N 0 0 418.562 5.815 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047326 568660261 /nfs/dbraw/zinc/66/02/61/568660261.db2.gz QIWCKBNEAPUSCD-QFIPXVFZSA-N 0 0 422.981 6.460 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047332 568660264 /nfs/dbraw/zinc/66/02/64/568660264.db2.gz QIWCKBNEAPUSCD-JOCHJYFZSA-N 0 0 422.981 6.460 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047339 568660357 /nfs/dbraw/zinc/66/03/57/568660357.db2.gz JNLFJUYUCMVFGJ-QFIPXVFZSA-N 0 0 422.981 6.460 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047345 568660200 /nfs/dbraw/zinc/66/02/00/568660200.db2.gz JNLFJUYUCMVFGJ-JOCHJYFZSA-N 0 0 422.981 6.460 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000021047351 568660304 /nfs/dbraw/zinc/66/03/04/568660304.db2.gz SPFUNKGGDIWGQG-DEOSSOPVSA-N 0 0 416.590 6.369 50 0 HKAARN CCc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000021047357 568660393 /nfs/dbraw/zinc/66/03/93/568660393.db2.gz SPFUNKGGDIWGQG-XMMPIXPASA-N 0 0 416.590 6.369 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1C ZINC000021047362 568660257 /nfs/dbraw/zinc/66/02/57/568660257.db2.gz YZGIBWBDXAXWJH-DEOSSOPVSA-N 0 0 416.590 6.423 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1C ZINC000021047369 568660300 /nfs/dbraw/zinc/66/03/00/568660300.db2.gz YZGIBWBDXAXWJH-XMMPIXPASA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1C ZINC000021047398 568660231 /nfs/dbraw/zinc/66/02/31/568660231.db2.gz TVKOYUXVGSZDRD-DEOSSOPVSA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1C ZINC000021047405 568660219 /nfs/dbraw/zinc/66/02/19/568660219.db2.gz TVKOYUXVGSZDRD-XMMPIXPASA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000021047412 568660370 /nfs/dbraw/zinc/66/03/70/568660370.db2.gz RFGRBVZOVSUGNR-DEOSSOPVSA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000021047419 568660335 /nfs/dbraw/zinc/66/03/35/568660335.db2.gz RFGRBVZOVSUGNR-XMMPIXPASA-N 0 0 416.590 6.423 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000021047424 568660394 /nfs/dbraw/zinc/66/03/94/568660394.db2.gz RCPBDTNDZRCDOP-DEOSSOPVSA-N 0 0 416.590 6.423 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000021047431 568660249 /nfs/dbraw/zinc/66/02/49/568660249.db2.gz RCPBDTNDZRCDOP-XMMPIXPASA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000021047471 568660297 /nfs/dbraw/zinc/66/02/97/568660297.db2.gz GNGZMPOEBIWQLK-QHCPKHFHSA-N 0 0 402.563 6.115 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000021047477 568660339 /nfs/dbraw/zinc/66/03/39/568660339.db2.gz GNGZMPOEBIWQLK-HSZRJFAPSA-N 0 0 402.563 6.115 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000021047507 568660272 /nfs/dbraw/zinc/66/02/72/568660272.db2.gz MVCOZBRQLNUXIT-QHCPKHFHSA-N 0 0 418.562 5.815 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000021047513 568660384 /nfs/dbraw/zinc/66/03/84/568660384.db2.gz MVCOZBRQLNUXIT-HSZRJFAPSA-N 0 0 418.562 5.815 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1 ZINC000021047553 568660239 /nfs/dbraw/zinc/66/02/39/568660239.db2.gz UHMXSWMBBJOBDB-QHCPKHFHSA-N 0 0 402.563 6.115 50 0 HKAARN Cc1cccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1 ZINC000021047559 568660341 /nfs/dbraw/zinc/66/03/41/568660341.db2.gz UHMXSWMBBJOBDB-HSZRJFAPSA-N 0 0 402.563 6.115 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047566 568660327 /nfs/dbraw/zinc/66/03/27/568660327.db2.gz HWVGZDLTQIGGIZ-DEOSSOPVSA-N 0 0 416.590 6.369 50 0 HKAARN CCc1ccccc1NC(=O)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047571 568660366 /nfs/dbraw/zinc/66/03/66/568660366.db2.gz HWVGZDLTQIGGIZ-XMMPIXPASA-N 0 0 416.590 6.369 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c(C)c1 ZINC000021047606 568660234 /nfs/dbraw/zinc/66/02/34/568660234.db2.gz XOWFTOGQNPODDP-DEOSSOPVSA-N 0 0 416.590 6.423 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c(C)c1 ZINC000021047612 568660243 /nfs/dbraw/zinc/66/02/43/568660243.db2.gz XOWFTOGQNPODDP-XMMPIXPASA-N 0 0 416.590 6.423 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047619 568660307 /nfs/dbraw/zinc/66/03/07/568660307.db2.gz CUTKMHLNARVTAZ-QFIPXVFZSA-N 0 0 406.526 5.946 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047626 568660362 /nfs/dbraw/zinc/66/03/62/568660362.db2.gz CUTKMHLNARVTAZ-JOCHJYFZSA-N 0 0 406.526 5.946 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047632 568660358 /nfs/dbraw/zinc/66/03/58/568660358.db2.gz XIDDUZSSLDOKSJ-QFIPXVFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047638 568660345 /nfs/dbraw/zinc/66/03/45/568660345.db2.gz XIDDUZSSLDOKSJ-JOCHJYFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047708 568660211 /nfs/dbraw/zinc/66/02/11/568660211.db2.gz BSSBYIVOXXKCRU-QFIPXVFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047714 568660387 /nfs/dbraw/zinc/66/03/87/568660387.db2.gz BSSBYIVOXXKCRU-JOCHJYFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047744 568660396 /nfs/dbraw/zinc/66/03/96/568660396.db2.gz KVDDHWQAIXEQFG-QHCPKHFHSA-N 0 0 420.553 5.623 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047748 568660268 /nfs/dbraw/zinc/66/02/68/568660268.db2.gz KVDDHWQAIXEQFG-HSZRJFAPSA-N 0 0 420.553 5.623 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000021047784 568660331 /nfs/dbraw/zinc/66/03/31/568660331.db2.gz ZOGYQWSYOFCONH-QFIPXVFZSA-N 0 0 406.526 5.946 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047792 568660206 /nfs/dbraw/zinc/66/02/06/568660206.db2.gz ZOGYQWSYOFCONH-JOCHJYFZSA-N 0 0 406.526 5.946 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)[C@@H]2c1ccccc1 ZINC000021047811 568660389 /nfs/dbraw/zinc/66/03/89/568660389.db2.gz KDPYAWJXRRIEAP-JOCHJYFZSA-N 0 0 406.551 5.807 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1OC)[C@H]2c1ccccc1 ZINC000021047817 568660391 /nfs/dbraw/zinc/66/03/91/568660391.db2.gz KDPYAWJXRRIEAP-QFIPXVFZSA-N 0 0 406.551 5.807 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(OC)c1)[C@@H]2c1ccccc1 ZINC000021047823 568660323 /nfs/dbraw/zinc/66/03/23/568660323.db2.gz FNMLFJSHAAKGRN-JOCHJYFZSA-N 0 0 406.551 5.807 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(OC)c1)[C@H]2c1ccccc1 ZINC000021047829 568660290 /nfs/dbraw/zinc/66/02/90/568660290.db2.gz FNMLFJSHAAKGRN-QFIPXVFZSA-N 0 0 406.551 5.807 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000021047835 568660382 /nfs/dbraw/zinc/66/03/82/568660382.db2.gz JPCWNQWFDBETGS-OAQYLSRUSA-N 0 0 410.970 6.452 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)[C@H]2c1ccccc1 ZINC000021047839 568660246 /nfs/dbraw/zinc/66/02/46/568660246.db2.gz JPCWNQWFDBETGS-NRFANRHFSA-N 0 0 410.970 6.452 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(C)c1C)[C@@H]2c1ccccc1 ZINC000021047858 568660320 /nfs/dbraw/zinc/66/03/20/568660320.db2.gz RWICPGBZZOBHEW-HSZRJFAPSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(C)c1C)[C@H]2c1ccccc1 ZINC000021047863 568660507 /nfs/dbraw/zinc/66/05/07/568660507.db2.gz RWICPGBZZOBHEW-QHCPKHFHSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)c(C)c1)[C@@H]2c1ccccc1 ZINC000021047881 568660470 /nfs/dbraw/zinc/66/04/70/568660470.db2.gz NSUPBOPFACNEEF-HSZRJFAPSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)c(C)c1)[C@H]2c1ccccc1 ZINC000021047887 568660561 /nfs/dbraw/zinc/66/05/61/568660561.db2.gz NSUPBOPFACNEEF-QHCPKHFHSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000021047893 568660497 /nfs/dbraw/zinc/66/04/97/568660497.db2.gz CMICZCOFNGUTOT-HSZRJFAPSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000021047900 568660588 /nfs/dbraw/zinc/66/05/88/568660588.db2.gz CMICZCOFNGUTOT-QHCPKHFHSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1Cl)[C@@H]2c1ccccc1 ZINC000021047907 568660601 /nfs/dbraw/zinc/66/06/01/568660601.db2.gz MMQFKQAJTFAZMM-JOCHJYFZSA-N 0 0 424.997 6.760 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1Cl)[C@H]2c1ccccc1 ZINC000021047913 568660411 /nfs/dbraw/zinc/66/04/11/568660411.db2.gz MMQFKQAJTFAZMM-QFIPXVFZSA-N 0 0 424.997 6.760 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021048001 568660437 /nfs/dbraw/zinc/66/04/37/568660437.db2.gz XTJQTWQELYROQD-QHCPKHFHSA-N 0 0 420.578 6.197 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000021048006 568660532 /nfs/dbraw/zinc/66/05/32/568660532.db2.gz XTJQTWQELYROQD-HSZRJFAPSA-N 0 0 420.578 6.197 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(Cl)c1C)[C@@H]2c1ccccc1 ZINC000021048023 568660474 /nfs/dbraw/zinc/66/04/74/568660474.db2.gz FZDBIPKGGSFEKR-JOCHJYFZSA-N 0 0 424.997 6.760 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(Cl)c1C)[C@H]2c1ccccc1 ZINC000021048030 568660480 /nfs/dbraw/zinc/66/04/80/568660480.db2.gz FZDBIPKGGSFEKR-QFIPXVFZSA-N 0 0 424.997 6.760 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1CC)[C@H]2c1ccccc1 ZINC000021048071 568660448 /nfs/dbraw/zinc/66/04/48/568660448.db2.gz PMBQTABWXINCRE-QHCPKHFHSA-N 0 0 404.579 6.361 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1CC)[C@@H]2c1ccccc1 ZINC000021048077 568660449 /nfs/dbraw/zinc/66/04/49/568660449.db2.gz PMBQTABWXINCRE-HSZRJFAPSA-N 0 0 404.579 6.361 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1C)[C@@H]2c1ccccc1 ZINC000021048083 568660501 /nfs/dbraw/zinc/66/05/01/568660501.db2.gz UPPLJZXDZRAYOI-HSZRJFAPSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1C)[C@H]2c1ccccc1 ZINC000021048090 568660546 /nfs/dbraw/zinc/66/05/46/568660546.db2.gz UPPLJZXDZRAYOI-QHCPKHFHSA-N 0 0 404.579 6.415 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)c(F)c1)[C@@H]2c1ccccc1 ZINC000021048095 568660426 /nfs/dbraw/zinc/66/04/26/568660426.db2.gz ACVGTMNDCAZZQZ-JOCHJYFZSA-N 0 0 408.542 6.246 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)c(F)c1)[C@H]2c1ccccc1 ZINC000021048102 568660516 /nfs/dbraw/zinc/66/05/16/568660516.db2.gz ACVGTMNDCAZZQZ-QFIPXVFZSA-N 0 0 408.542 6.246 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(F)ccc1F)[C@@H]2c1ccccc1 ZINC000021048116 568660493 /nfs/dbraw/zinc/66/04/93/568660493.db2.gz JUOXVVKNZYWAAK-OAQYLSRUSA-N 0 0 412.505 6.077 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cc(F)ccc1F)[C@H]2c1ccccc1 ZINC000021048120 568660430 /nfs/dbraw/zinc/66/04/30/568660430.db2.gz JUOXVVKNZYWAAK-NRFANRHFSA-N 0 0 412.505 6.077 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccccc1)[C@@H]2c1ccc(OC)cc1 ZINC000021048335 568660570 /nfs/dbraw/zinc/66/05/70/568660570.db2.gz RNEYWUHTBZCKAM-HSZRJFAPSA-N 0 0 420.578 5.485 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccccc1)[C@H]2c1ccc(OC)cc1 ZINC000021048341 568660433 /nfs/dbraw/zinc/66/04/33/568660433.db2.gz RNEYWUHTBZCKAM-QHCPKHFHSA-N 0 0 420.578 5.485 50 0 HKAARN O=C(Nc1ccccc1)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048405 568660604 /nfs/dbraw/zinc/66/06/04/568660604.db2.gz OMONDIDRJWKLCP-QFIPXVFZSA-N 0 0 406.526 5.946 50 0 HKAARN O=C(Nc1ccccc1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048411 568660594 /nfs/dbraw/zinc/66/05/94/568660594.db2.gz OMONDIDRJWKLCP-JOCHJYFZSA-N 0 0 406.526 5.946 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048579 568660518 /nfs/dbraw/zinc/66/05/18/568660518.db2.gz PBNBDMOJCZRMDW-QFIPXVFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048586 568660592 /nfs/dbraw/zinc/66/05/92/568660592.db2.gz PBNBDMOJCZRMDW-JOCHJYFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048628 568660523 /nfs/dbraw/zinc/66/05/23/568660523.db2.gz UOJCKXYXUUNYDO-QFIPXVFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048631 568660412 /nfs/dbraw/zinc/66/04/12/568660412.db2.gz UOJCKXYXUUNYDO-JOCHJYFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(NC1CCCCC1)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048674 568660528 /nfs/dbraw/zinc/66/05/28/568660528.db2.gz JTANSJUSKIZKRR-QFIPXVFZSA-N 0 0 412.574 5.756 50 0 HKAARN O=C(NC1CCCCC1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048680 568660489 /nfs/dbraw/zinc/66/04/89/568660489.db2.gz JTANSJUSKIZKRR-JOCHJYFZSA-N 0 0 412.574 5.756 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCc2c3c(sc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000021048695 568660453 /nfs/dbraw/zinc/66/04/53/568660453.db2.gz IXUCQRSCOLFNMP-QFIPXVFZSA-N 0 0 424.516 6.085 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCc2c3c(sc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000021048700 568660457 /nfs/dbraw/zinc/66/04/57/568660457.db2.gz IXUCQRSCOLFNMP-JOCHJYFZSA-N 0 0 424.516 6.085 50 0 HKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)NC1CCCC1)CCCC3 ZINC000021048775 568660535 /nfs/dbraw/zinc/66/05/35/568660535.db2.gz SMQRFTXNLMXUKL-QFIPXVFZSA-N 0 0 410.583 5.235 50 0 HKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)NC1CCCC1)CCCC3 ZINC000021048781 568660485 /nfs/dbraw/zinc/66/04/85/568660485.db2.gz SMQRFTXNLMXUKL-JOCHJYFZSA-N 0 0 410.583 5.235 50 0 HKAARN COc1ccccc1[C@H]1c2sc3c(c2CCN1C(=O)NC1CCCCC1)CCCC3 ZINC000021048872 568660597 /nfs/dbraw/zinc/66/05/97/568660597.db2.gz NEVHJYOWWUHKJF-QHCPKHFHSA-N 0 0 424.610 5.625 50 0 HKAARN COc1ccccc1[C@@H]1c2sc3c(c2CCN1C(=O)NC1CCCCC1)CCCC3 ZINC000021048876 568660583 /nfs/dbraw/zinc/66/05/83/568660583.db2.gz NEVHJYOWWUHKJF-HSZRJFAPSA-N 0 0 424.610 5.625 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(CC)cc1)[C@H]2c1ccc(F)cc1 ZINC000021048902 568660573 /nfs/dbraw/zinc/66/05/73/568660573.db2.gz KCBLUWKZVUUMLF-QHCPKHFHSA-N 0 0 422.569 6.500 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(CC)cc1)[C@@H]2c1ccc(F)cc1 ZINC000021048908 568660463 /nfs/dbraw/zinc/66/04/63/568660463.db2.gz KCBLUWKZVUUMLF-HSZRJFAPSA-N 0 0 422.569 6.500 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(OC)cc1)[C@@H]2c1ccc(F)cc1 ZINC000021048930 568660577 /nfs/dbraw/zinc/66/05/77/568660577.db2.gz SDUJDIJQJQXAHN-JOCHJYFZSA-N 0 0 424.541 5.946 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(OC)cc1)[C@H]2c1ccc(F)cc1 ZINC000021048938 568660460 /nfs/dbraw/zinc/66/04/60/568660460.db2.gz SDUJDIJQJQXAHN-QFIPXVFZSA-N 0 0 424.541 5.946 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000021048979 568660478 /nfs/dbraw/zinc/66/04/78/568660478.db2.gz JGQGEBVOECGCKR-JOCHJYFZSA-N 0 0 408.542 5.615 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000021048985 568660745 /nfs/dbraw/zinc/66/07/45/568660745.db2.gz JGQGEBVOECGCKR-QFIPXVFZSA-N 0 0 408.542 5.615 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(F)cc1 ZINC000021049014 568660801 /nfs/dbraw/zinc/66/08/01/568660801.db2.gz PFNMSOPIHKBWAG-HSZRJFAPSA-N 0 0 422.569 5.924 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(F)cc1 ZINC000021049021 568660655 /nfs/dbraw/zinc/66/06/55/568660655.db2.gz PFNMSOPIHKBWAG-QHCPKHFHSA-N 0 0 422.569 5.924 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000021049026 568660660 /nfs/dbraw/zinc/66/06/60/568660660.db2.gz RTACIYGVBBLIIU-HSZRJFAPSA-N 0 0 422.569 5.658 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NCCc1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000021049032 568660764 /nfs/dbraw/zinc/66/07/64/568660764.db2.gz RTACIYGVBBLIIU-QHCPKHFHSA-N 0 0 422.569 5.658 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NC1CCCCC1)[C@@H]2c1ccc(F)cc1 ZINC000021049069 568660785 /nfs/dbraw/zinc/66/07/85/568660785.db2.gz AXKCVZVFCNVSAP-OAQYLSRUSA-N 0 0 400.563 5.748 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)NC1CCCCC1)[C@H]2c1ccc(F)cc1 ZINC000021049074 568660796 /nfs/dbraw/zinc/66/07/96/568660796.db2.gz AXKCVZVFCNVSAP-NRFANRHFSA-N 0 0 400.563 5.748 50 0 HKAARN CCOc1ccc(Oc2ccccc2NC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000021049084 568660821 /nfs/dbraw/zinc/66/08/21/568660821.db2.gz OJHMERIHZJUXBY-UHFFFAOYSA-N 0 0 409.511 5.015 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(F)c1)[C@@H]2c1ccc(F)cc1 ZINC000021049089 568660707 /nfs/dbraw/zinc/66/07/07/568660707.db2.gz VPTKXYITKNUKQB-OAQYLSRUSA-N 0 0 412.505 6.077 50 0 HKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(F)c1)[C@H]2c1ccc(F)cc1 ZINC000021049094 568660731 /nfs/dbraw/zinc/66/07/31/568660731.db2.gz VPTKXYITKNUKQB-NRFANRHFSA-N 0 0 412.505 6.077 50 0 HKAARN Cc1cccc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)C[C@H]2C)c1 ZINC000021049121 568660689 /nfs/dbraw/zinc/66/06/89/568660689.db2.gz OBUYZDDEPCYDTR-QGZVFWFLSA-N 0 0 418.541 5.521 50 0 HKAARN COc1ccc(-c2csc3ncnc(NCCc4ccc(SC)cc4)c23)cc1 ZINC000021049157 568660711 /nfs/dbraw/zinc/66/07/11/568660711.db2.gz IZDHPLXBAYOTDE-UHFFFAOYSA-N 0 0 407.564 5.743 50 0 HKAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3cccc(C(F)(F)F)c3)nn1C)CS2 ZINC000021049201 568660749 /nfs/dbraw/zinc/66/07/49/568660749.db2.gz GGMNIUFKTIUXMN-UHFFFAOYSA-N 0 0 403.429 5.272 50 0 HKAARN COc1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000021053341 568661034 /nfs/dbraw/zinc/66/10/34/568661034.db2.gz LNKVRQBNRFTMTN-UHFFFAOYSA-N 0 0 404.857 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1F ZINC000021053354 568661048 /nfs/dbraw/zinc/66/10/48/568661048.db2.gz PQSAKGZXJYTVBJ-UHFFFAOYSA-N 0 0 406.848 5.727 50 0 HKAARN O=C(Nc1ccc(F)cc1F)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000021053368 568660941 /nfs/dbraw/zinc/66/09/41/568660941.db2.gz QTSSAEDMWKAFRX-UHFFFAOYSA-N 0 0 410.811 5.557 50 0 HKAARN CCOc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000021053396 568661042 /nfs/dbraw/zinc/66/10/42/568661042.db2.gz AOCYNQDJNLLMSY-UHFFFAOYSA-N 0 0 418.884 5.678 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000021053402 568661078 /nfs/dbraw/zinc/66/10/78/568661078.db2.gz QGUGFVCMROWXMA-UHFFFAOYSA-N 0 0 418.884 5.678 50 0 HKAARN Cc1ccc2nc3sc(C(=O)N(C)c4ccc(Br)cc4)cc3cc2c1 ZINC000021054184 568661322 /nfs/dbraw/zinc/66/13/22/568661322.db2.gz QOQJJYXQMSZEAO-UHFFFAOYSA-N 0 0 411.324 5.797 50 0 HKAARN Cc1cccc(N2CCN(C(=O)c3cc4cc5cc(C)ccc5nc4s3)C[C@H]2C)c1 ZINC000021054211 568661220 /nfs/dbraw/zinc/66/12/20/568661220.db2.gz UYNLKJUFLMYJAV-GOSISDBHSA-N 0 0 415.562 5.417 50 0 HKAARN Cc1cccc(N2CCN(C(=O)c3cc4cc5cc(C)ccc5nc4s3)C[C@@H]2C)c1 ZINC000021054218 568661241 /nfs/dbraw/zinc/66/12/41/568661241.db2.gz UYNLKJUFLMYJAV-SFHVURJKSA-N 0 0 415.562 5.417 50 0 HKAARN Cc1ccc2nc3sc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3cc2c1 ZINC000021054233 568661226 /nfs/dbraw/zinc/66/12/26/568661226.db2.gz HXUQCCZNCDZEJW-UHFFFAOYSA-N 0 0 415.562 5.337 50 0 HKAARN Cc1ccc2nc3sc(C(=O)N(Cc4cccs4)C4CCCCC4)cc3cc2c1 ZINC000021054240 568661208 /nfs/dbraw/zinc/66/12/08/568661208.db2.gz XDHKEEOXMRYAGV-UHFFFAOYSA-N 0 0 420.603 6.795 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000021055693 558430697 /nfs/dbraw/zinc/43/06/97/558430697.db2.gz JTASSZXGJXHHMX-UHFFFAOYSA-N 0 0 422.230 5.219 50 0 HKAARN Cc1ccc2nc3sc(C(=O)NCCCN4CCCc5ccccc54)cc3cc2c1 ZINC000021087513 568661229 /nfs/dbraw/zinc/66/12/29/568661229.db2.gz SEBGMJWJZGBJSV-UHFFFAOYSA-N 0 0 415.562 5.331 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4cccc(Cl)c4)sc3nc2c1Cl ZINC000021087545 568661439 /nfs/dbraw/zinc/66/14/39/568661439.db2.gz XIMNWFYYTMZHIF-UHFFFAOYSA-N 0 0 403.290 6.017 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C)c(F)c4)sc3nc2c1Cl ZINC000021087549 568661503 /nfs/dbraw/zinc/66/15/03/568661503.db2.gz KVJPIDOCPNJAAD-UHFFFAOYSA-N 0 0 400.862 5.811 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(F)c(Cl)c4)sc3nc2c1Cl ZINC000021087554 568661433 /nfs/dbraw/zinc/66/14/33/568661433.db2.gz BVUHIBYXWUOOAO-UHFFFAOYSA-N 0 0 421.280 6.156 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4Cl)sc3nc2c1Cl ZINC000021087559 568661473 /nfs/dbraw/zinc/66/14/73/568661473.db2.gz UXUBCBISHZBVOJ-UHFFFAOYSA-N 0 0 421.280 6.156 50 0 HKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccccc4F)sc3nc2c1Cl ZINC000021087607 568661547 /nfs/dbraw/zinc/66/15/47/568661547.db2.gz FMJFDPUZXVRPBV-UHFFFAOYSA-N 0 0 400.862 5.527 50 0 HKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccccc4Cl)sc3nc2c1Cl ZINC000021087612 568661580 /nfs/dbraw/zinc/66/15/80/568661580.db2.gz KXCNRPVLBZQRJS-UHFFFAOYSA-N 0 0 417.317 6.042 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4cccc(SC)c4)sc3nc2c1Cl ZINC000021087627 568661507 /nfs/dbraw/zinc/66/15/07/568661507.db2.gz XFFFIOVSTKBIEM-UHFFFAOYSA-N 0 0 414.939 6.086 50 0 HKAARN COc1ccc2cc3cc(C(=O)NCc4cccc(Cl)c4)sc3nc2c1Cl ZINC000021087631 568661550 /nfs/dbraw/zinc/66/15/50/568661550.db2.gz BRXOWGQUFDCDJZ-UHFFFAOYSA-N 0 0 417.317 5.695 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4ccccc4Cl)sc3nc2c1Cl ZINC000021087643 568661471 /nfs/dbraw/zinc/66/14/71/568661471.db2.gz OCGOJLCDFVFTTC-UHFFFAOYSA-N 0 0 403.290 6.017 50 0 HKAARN COc1ccc2cc3cc(C(=O)NCc4ccccc4Cl)sc3nc2c1Cl ZINC000021087647 568661558 /nfs/dbraw/zinc/66/15/58/568661558.db2.gz PGCSNCPEDZWDKS-UHFFFAOYSA-N 0 0 417.317 5.695 50 0 HKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccc(F)cc4)sc3nc2c1Cl ZINC000021087651 568661553 /nfs/dbraw/zinc/66/15/53/568661553.db2.gz CAQLBGALPOLQSS-UHFFFAOYSA-N 0 0 400.862 5.527 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C)c(Cl)c4)sc3nc2c1Cl ZINC000021087695 568661436 /nfs/dbraw/zinc/66/14/36/568661436.db2.gz PEICYOVRKBOKJF-UHFFFAOYSA-N 0 0 417.317 6.326 50 0 HKAARN COc1ccc2cc3cc(C(=O)Nc4cccc(Cl)c4C)sc3nc2c1Cl ZINC000021087699 568661442 /nfs/dbraw/zinc/66/14/42/568661442.db2.gz BPNXTJLNQZMJQY-UHFFFAOYSA-N 0 0 417.317 6.326 50 0 HKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000021089146 568663476 /nfs/dbraw/zinc/66/34/76/568663476.db2.gz VNZMFNYBDPUVCS-UHFFFAOYSA-N 0 0 423.921 5.828 50 0 HKAARN CCOC(=O)c1ccc2c(c1)N(Cc1cccc(OC)c1)C(=O)c1ccccc1S2 ZINC000021089155 568663875 /nfs/dbraw/zinc/66/38/75/568663875.db2.gz AMQJAOSYDCBHDC-UHFFFAOYSA-N 0 0 419.502 5.184 50 0 HKAARN COC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000021089163 568663781 /nfs/dbraw/zinc/66/37/81/568663781.db2.gz PBSGDJLXDIDZIZ-UHFFFAOYSA-N 0 0 409.894 5.438 50 0 HKAARN C=Cc1ccc(CN2c3cc(C(=O)OC)ccc3Sc3ccccc3C2=O)cc1 ZINC000021089184 568663847 /nfs/dbraw/zinc/66/38/47/568663847.db2.gz HUDHYNHTTIJFPL-UHFFFAOYSA-N 0 0 401.487 5.428 50 0 HKAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(Br)c(C)c4)n3n2)c1 ZINC000021089404 568663714 /nfs/dbraw/zinc/66/37/14/568663714.db2.gz OZRVFGYNJAPQNL-UHFFFAOYSA-N 0 0 408.303 5.223 50 0 HKAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(Br)cc4F)n3n2)c1 ZINC000021089420 568663869 /nfs/dbraw/zinc/66/38/69/568663869.db2.gz SDELTCMHLLSCDH-UHFFFAOYSA-N 0 0 412.266 5.053 50 0 HKAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)c1 ZINC000021089465 568663844 /nfs/dbraw/zinc/66/38/44/568663844.db2.gz CERPKBKZHHIXJB-UHFFFAOYSA-N 0 0 411.505 5.074 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000021089500 568663811 /nfs/dbraw/zinc/66/38/11/568663811.db2.gz UBPQGTGMWLSXBH-UHFFFAOYSA-N 0 0 402.450 5.545 50 0 HKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc32)cc1 ZINC000021089532 568663788 /nfs/dbraw/zinc/66/37/88/568663788.db2.gz FSSXGLBYLBALIZ-UHFFFAOYSA-N 0 0 412.367 5.954 50 0 HKAARN CC(=O)N1N=C(c2ccc(C(C)C)cc2)O[C@@H]1COc1ccc(Cl)cc1Cl ZINC000021092904 568664529 /nfs/dbraw/zinc/66/45/29/568664529.db2.gz QNWXJLZQMVUSOI-LJQANCHMSA-N 0 0 407.297 5.062 50 0 HKAARN CC(=O)N1N=C(c2ccc(C(C)C)cc2)O[C@H]1COc1ccc(Cl)cc1Cl ZINC000021092908 568664474 /nfs/dbraw/zinc/66/44/74/568664474.db2.gz QNWXJLZQMVUSOI-IBGZPJMESA-N 0 0 407.297 5.062 50 0 HKAARN Cc1ccc(COc2cc(C(=O)NCCc3cccs3)c3ccccc3n2)cc1 ZINC000021094474 568664788 /nfs/dbraw/zinc/66/47/88/568664788.db2.gz NVIGHKRHEXIWHO-UHFFFAOYSA-N 0 0 402.519 5.156 50 0 HKAARN Cc1ccc(COc2cc(C(=O)NCc3cccc(F)c3)c3ccccc3n2)cc1 ZINC000021094492 568664702 /nfs/dbraw/zinc/66/47/02/568664702.db2.gz BAIGKTATKYSCRF-UHFFFAOYSA-N 0 0 400.453 5.191 50 0 HKAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000021096079 568665060 /nfs/dbraw/zinc/66/50/60/568665060.db2.gz RMJYMXHKJINJQQ-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 ZINC000021096083 568665014 /nfs/dbraw/zinc/66/50/14/568665014.db2.gz RNLXFTCUFSQPNS-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)cc1 ZINC000021096087 568664960 /nfs/dbraw/zinc/66/49/60/568664960.db2.gz PJDWVTUPTSVMCB-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1ccccc1F ZINC000021096110 568664989 /nfs/dbraw/zinc/66/49/89/568664989.db2.gz LSUANMJNOKBGPV-UHFFFAOYSA-N 0 0 421.472 5.891 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1cccc(F)c1 ZINC000021096115 568665018 /nfs/dbraw/zinc/66/50/18/568665018.db2.gz ZDUNIUBLGZFZOF-UHFFFAOYSA-N 0 0 421.472 5.891 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)NC1CCCCC1 ZINC000021096161 568665135 /nfs/dbraw/zinc/66/51/35/568665135.db2.gz JQSSPPCUPFZVCS-UHFFFAOYSA-N 0 0 409.530 5.562 50 0 HKAARN Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccs3)[nH]c12 ZINC000021099202 568665961 /nfs/dbraw/zinc/66/59/61/568665961.db2.gz FXHHIMMZFHBHRW-UHFFFAOYSA-N 0 0 406.532 5.443 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000021100725 568666442 /nfs/dbraw/zinc/66/64/42/568666442.db2.gz BNCGFHDAYXAYPA-UHFFFAOYSA-N 0 0 419.916 5.255 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(C)cc1Cl ZINC000021100740 568666525 /nfs/dbraw/zinc/66/65/25/568666525.db2.gz CGRGTTUJOSKKEJ-UHFFFAOYSA-N 0 0 419.916 5.255 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cc(Cl)ccc1C ZINC000021100763 568666577 /nfs/dbraw/zinc/66/65/77/568666577.db2.gz CLCFHFMMIVLMQV-UHFFFAOYSA-N 0 0 419.916 5.255 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000021100768 568666580 /nfs/dbraw/zinc/66/65/80/568666580.db2.gz GNPWFJXIRYWRSW-UHFFFAOYSA-N 0 0 423.879 5.086 50 0 HKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cccc(Cl)c1C ZINC000021100796 568666605 /nfs/dbraw/zinc/66/66/05/568666605.db2.gz FZWIGXUVTLKXBQ-UHFFFAOYSA-N 0 0 419.916 5.255 50 0 HKAARN CSc1cccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 ZINC000021100881 568666545 /nfs/dbraw/zinc/66/65/45/568666545.db2.gz HLSFRLMFVOXIDR-UHFFFAOYSA-N 0 0 417.538 5.015 50 0 HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000021100943 568666496 /nfs/dbraw/zinc/66/64/96/568666496.db2.gz JZKUAMLMOAJBFG-UHFFFAOYSA-N 0 0 400.526 5.149 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(C)cc1)CC2 ZINC000021101009 568666506 /nfs/dbraw/zinc/66/65/06/568666506.db2.gz QJVSHFXLWNBTEC-UHFFFAOYSA-N 0 0 414.553 5.457 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1C)CC2 ZINC000021101014 535785076 /nfs/dbraw/zinc/78/50/76/535785076.db2.gz YXFPHCHFRYTAFN-UHFFFAOYSA-N 0 0 414.553 5.457 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(C)c1)CC2 ZINC000021101077 535784990 /nfs/dbraw/zinc/78/49/90/535784990.db2.gz CSXBRMYAEHFUTG-UHFFFAOYSA-N 0 0 414.553 5.457 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1)CC2 ZINC000021101101 568666529 /nfs/dbraw/zinc/66/65/29/568666529.db2.gz VIRHVSHDUIKFLN-UHFFFAOYSA-N 0 0 418.516 5.288 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1F)CC2 ZINC000021101145 568666620 /nfs/dbraw/zinc/66/66/20/568666620.db2.gz GHOKVFCHNPMHIN-UHFFFAOYSA-N 0 0 418.516 5.288 50 0 biogenic HKAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000021101203 535784904 /nfs/dbraw/zinc/78/49/04/535784904.db2.gz JIHOMCZQEQHXLL-UHFFFAOYSA-N 0 0 418.516 5.288 50 0 biogenic HKAARN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101225 568666463 /nfs/dbraw/zinc/66/64/63/568666463.db2.gz DFZCLZKRZCIMAD-UHFFFAOYSA-N 0 0 410.880 5.219 50 0 biogenic HKAARN O=C(Nc1ccccc1Cl)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101230 568666516 /nfs/dbraw/zinc/66/65/16/568666516.db2.gz XCZBJMNDRPCCTI-UHFFFAOYSA-N 0 0 410.880 5.219 50 0 biogenic HKAARN CCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021101235 568666559 /nfs/dbraw/zinc/66/65/59/568666559.db2.gz ATVCEXWBFVIFKX-UHFFFAOYSA-N 0 0 404.489 5.128 50 0 biogenic HKAARN Cc1cccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1C ZINC000021101240 568666569 /nfs/dbraw/zinc/66/65/69/568666569.db2.gz CRWKDSVSWVOCAX-UHFFFAOYSA-N 0 0 404.489 5.182 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1C ZINC000021101251 568666489 /nfs/dbraw/zinc/66/64/89/568666489.db2.gz NZSWFADLKGXZAJ-UHFFFAOYSA-N 0 0 404.489 5.182 50 0 biogenic HKAARN Cc1ccc(C)c(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101257 568666511 /nfs/dbraw/zinc/66/65/11/568666511.db2.gz SWDSKKXORVZCIM-UHFFFAOYSA-N 0 0 404.489 5.182 50 0 biogenic HKAARN Cc1cc(C)cc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101262 568666493 /nfs/dbraw/zinc/66/64/93/568666493.db2.gz PSYHFWIJFZNDQM-UHFFFAOYSA-N 0 0 404.489 5.182 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c(Cl)c1 ZINC000021101267 568666602 /nfs/dbraw/zinc/66/66/02/568666602.db2.gz PRCUERURQUMEIQ-UHFFFAOYSA-N 0 0 424.907 5.527 50 0 biogenic HKAARN CCc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101337 568666437 /nfs/dbraw/zinc/66/64/37/568666437.db2.gz RIURXFGRFHANKH-UHFFFAOYSA-N 0 0 404.489 5.128 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1F ZINC000021101346 568666617 /nfs/dbraw/zinc/66/66/17/568666617.db2.gz ZZUYOIOQQRLSKG-UHFFFAOYSA-N 0 0 408.452 5.013 50 0 biogenic HKAARN CSc1cccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101373 568666477 /nfs/dbraw/zinc/66/64/77/568666477.db2.gz BLUSHZSRPUGTIL-UHFFFAOYSA-N 0 0 422.529 5.287 50 0 biogenic HKAARN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2cccs2)nn1-c1ccccc1 ZINC000021102324 568666572 /nfs/dbraw/zinc/66/65/72/568666572.db2.gz KCRHNKZPLPSSHT-UHFFFAOYSA-N 0 0 409.898 5.272 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000021103397 568666795 /nfs/dbraw/zinc/66/67/95/568666795.db2.gz PXRASHBVNPQBOX-UHFFFAOYSA-N 0 0 424.932 5.369 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Oc3cccc(C(F)(F)F)c3)cc12 ZINC000021103567 568666649 /nfs/dbraw/zinc/66/66/49/568666649.db2.gz SSGAXXMMPLMANW-UHFFFAOYSA-N 0 0 420.387 5.773 50 0 HKAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCC(Cc2ccccc2)CC1 ZINC000021103696 568666815 /nfs/dbraw/zinc/66/68/15/568666815.db2.gz NOWCRBKUCVRFTF-UHFFFAOYSA-N 0 0 410.901 5.241 50 0 HKAARN O=C(Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)c1nsc2ccccc21 ZINC000021103922 568666761 /nfs/dbraw/zinc/66/67/61/568666761.db2.gz UJRNDWPJVSRCRJ-UHFFFAOYSA-N 0 0 421.909 5.132 50 0 HKAARN O=C(Nc1ccc(C(=O)NCCC2=CCCCC2)cc1)c1nsc2ccccc21 ZINC000021103931 568666674 /nfs/dbraw/zinc/66/66/74/568666674.db2.gz DLEMZYGKOSWABS-UHFFFAOYSA-N 0 0 405.523 5.169 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2cccc(C(F)(F)F)c2)n1Cc1ccc(F)cc1 ZINC000021104186 568666790 /nfs/dbraw/zinc/66/67/90/568666790.db2.gz NOUKEKCKQDXESF-LJQANCHMSA-N 0 0 401.363 5.006 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2cccc(C(F)(F)F)c2)n1Cc1ccc(F)cc1 ZINC000021104191 568666818 /nfs/dbraw/zinc/66/68/18/568666818.db2.gz NOUKEKCKQDXESF-IBGZPJMESA-N 0 0 401.363 5.006 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2cc(Cl)ccc2Cl)n1Cc1ccc(F)cc1 ZINC000021104602 568694408 /nfs/dbraw/zinc/69/44/08/568694408.db2.gz QAORCFUQRTVAGF-LJQANCHMSA-N 0 0 402.256 5.294 50 0 HKAARN O=c1c2ccc[nH]c-2c(Nc2cc(Cl)ccc2Cl)n1Cc1ccc(F)cc1 ZINC000021104607 568666822 /nfs/dbraw/zinc/66/68/22/568666822.db2.gz QAORCFUQRTVAGF-IBGZPJMESA-N 0 0 402.256 5.294 50 0 HKAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)c1 ZINC000021104680 568694365 /nfs/dbraw/zinc/69/43/65/568694365.db2.gz PBJHOEOXTFNKMV-LJQANCHMSA-N 0 0 400.265 5.168 50 0 HKAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)c1 ZINC000021104687 568666753 /nfs/dbraw/zinc/66/67/53/568666753.db2.gz PBJHOEOXTFNKMV-IBGZPJMESA-N 0 0 400.265 5.168 50 0 HKAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)c1 ZINC000021104731 568667007 /nfs/dbraw/zinc/66/70/07/568667007.db2.gz SQRLLLKFOTVRKS-LJQANCHMSA-N 0 0 400.265 5.168 50 0 HKAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)c1 ZINC000021104735 568666983 /nfs/dbraw/zinc/66/69/83/568666983.db2.gz SQRLLLKFOTVRKS-IBGZPJMESA-N 0 0 400.265 5.168 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000021105509 568667056 /nfs/dbraw/zinc/66/70/56/568667056.db2.gz MQHGJQJIPXJYFT-JOCHJYFZSA-N 0 0 423.900 5.222 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000021105512 568666940 /nfs/dbraw/zinc/66/69/40/568666940.db2.gz MQHGJQJIPXJYFT-QFIPXVFZSA-N 0 0 423.900 5.222 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021105546 568666905 /nfs/dbraw/zinc/66/69/05/568666905.db2.gz DUWVGBKZWJGAOK-HXUWFJFHSA-N 0 0 414.292 5.558 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021105550 568666911 /nfs/dbraw/zinc/66/69/11/568666911.db2.gz DUWVGBKZWJGAOK-FQEVSTJZSA-N 0 0 414.292 5.558 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)cc1 ZINC000021105567 568666930 /nfs/dbraw/zinc/66/69/30/568666930.db2.gz PXHSQGLVHSCVQO-HXUWFJFHSA-N 0 0 424.298 5.014 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)cc1 ZINC000021105572 568666933 /nfs/dbraw/zinc/66/69/33/568666933.db2.gz PXHSQGLVHSCVQO-FQEVSTJZSA-N 0 0 424.298 5.014 50 0 HKAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2Cl)cc1 ZINC000021106603 568667272 /nfs/dbraw/zinc/66/72/72/568667272.db2.gz ASXLKQZPFWLTQA-LJQANCHMSA-N 0 0 400.265 5.168 50 0 HKAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2Cl)cc1 ZINC000021106608 568667252 /nfs/dbraw/zinc/66/72/52/568667252.db2.gz ASXLKQZPFWLTQA-IBGZPJMESA-N 0 0 400.265 5.168 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)cc1 ZINC000021106691 568667322 /nfs/dbraw/zinc/66/73/22/568667322.db2.gz YVNQYFBVIZNBKD-HXUWFJFHSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)cc1 ZINC000021106695 568667181 /nfs/dbraw/zinc/66/71/81/568667181.db2.gz YVNQYFBVIZNBKD-FQEVSTJZSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021106780 568667201 /nfs/dbraw/zinc/66/72/01/568667201.db2.gz JOBQUIPNNIPJDT-HXUWFJFHSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021106785 568667175 /nfs/dbraw/zinc/66/71/75/568667175.db2.gz JOBQUIPNNIPJDT-FQEVSTJZSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021107141 568667247 /nfs/dbraw/zinc/66/72/47/568667247.db2.gz XQYSXEFCJTXLML-HXUWFJFHSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021107146 568667311 /nfs/dbraw/zinc/66/73/11/568667311.db2.gz XQYSXEFCJTXLML-FQEVSTJZSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2Cl)cc1 ZINC000021107160 568667239 /nfs/dbraw/zinc/66/72/39/568667239.db2.gz ZMFQTMBZWIISJX-HXUWFJFHSA-N 0 0 414.292 5.164 50 0 HKAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2Cl)cc1 ZINC000021107165 568667170 /nfs/dbraw/zinc/66/71/70/568667170.db2.gz ZMFQTMBZWIISJX-FQEVSTJZSA-N 0 0 414.292 5.164 50 0 HKAARN O=C(CSCc1nc2cccnc2n1C1CCCCC1)NC1CCCCCCC1 ZINC000021109281 568667955 /nfs/dbraw/zinc/66/79/55/568667955.db2.gz LSXQGRZEXIIFGA-UHFFFAOYSA-N 0 0 414.619 5.399 50 0 HKAARN CCc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000021109289 568668097 /nfs/dbraw/zinc/66/80/97/568668097.db2.gz IMEGTIUJKGXIHC-UHFFFAOYSA-N 0 0 408.571 5.371 50 0 HKAARN Cc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1C ZINC000021109302 568668087 /nfs/dbraw/zinc/66/80/87/568668087.db2.gz FTVBESNIIGZBQC-UHFFFAOYSA-N 0 0 408.571 5.425 50 0 HKAARN O=C(Oc1cccc(C(F)(F)F)c1)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000021109378 568668026 /nfs/dbraw/zinc/66/80/26/568668026.db2.gz HPHSGAWCLDAJIR-UHFFFAOYSA-N 0 0 409.363 5.229 50 0 HKAARN COc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1Cl ZINC000021112694 568668650 /nfs/dbraw/zinc/66/86/50/568668650.db2.gz HDAPPILZMDBRGX-UHFFFAOYSA-N 0 0 418.946 5.290 50 0 HKAARN Brc1ccccc1-c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000021112711 568668528 /nfs/dbraw/zinc/66/85/28/568668528.db2.gz LWNZFQMETWDGHM-UHFFFAOYSA-N 0 0 409.287 5.631 50 0 HKAARN Cc1ccccc1CSCc1ccc(C(=O)N2CCC(c3ccncc3)CC2)o1 ZINC000021115040 568668700 /nfs/dbraw/zinc/66/87/00/568668700.db2.gz PQHSTGXIZHCSAU-UHFFFAOYSA-N 0 0 406.551 5.436 50 0 HKAARN Cc1cccc(CSCc2ccc(C(=O)N3CCC(c4ccncc4)CC3)o2)c1 ZINC000021115045 568668723 /nfs/dbraw/zinc/66/87/23/568668723.db2.gz ZSEGSOHQMLAASN-UHFFFAOYSA-N 0 0 406.551 5.436 50 0 HKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)s1 ZINC000021115092 568668714 /nfs/dbraw/zinc/66/87/14/568668714.db2.gz WQCGVLFQQQDDKI-UHFFFAOYSA-N 0 0 408.571 5.232 50 0 HKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)s1 ZINC000021115101 568668703 /nfs/dbraw/zinc/66/87/03/568668703.db2.gz SVEKWUGTYVIWBV-UHFFFAOYSA-N 0 0 414.962 5.071 50 0 HKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)s1 ZINC000021115104 568668718 /nfs/dbraw/zinc/66/87/18/568668718.db2.gz DIAVXUCCRPMRTB-UHFFFAOYSA-N 0 0 414.962 5.071 50 0 HKAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)s1 ZINC000021115109 568668846 /nfs/dbraw/zinc/66/88/46/568668846.db2.gz QNFQBBNYXQZLKF-UHFFFAOYSA-N 0 0 414.962 5.071 50 0 HKAARN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc1 ZINC000021115948 568668733 /nfs/dbraw/zinc/66/87/33/568668733.db2.gz YGOYNBGKBZQDAA-UHFFFAOYSA-N 0 0 410.543 5.031 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncnc(N3CCCCCC3)c12 ZINC000021115953 568668962 /nfs/dbraw/zinc/66/89/62/568668962.db2.gz UOQBOCKVOITFQL-UHFFFAOYSA-N 0 0 414.962 5.594 50 0 HKAARN Cc1c(C(=O)N[C@@H]2CCCc3ccccc32)sc2ncnc(N3CCCCCC3)c12 ZINC000021115976 568668976 /nfs/dbraw/zinc/66/89/76/568668976.db2.gz KUNPDVVXKHGGQF-LJQANCHMSA-N 0 0 420.582 5.188 50 0 HKAARN Cc1c(C(=O)N[C@H]2CCCc3ccccc32)sc2ncnc(N3CCCCCC3)c12 ZINC000021115981 568669091 /nfs/dbraw/zinc/66/90/91/568669091.db2.gz KUNPDVVXKHGGQF-IBGZPJMESA-N 0 0 420.582 5.188 50 0 HKAARN COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 ZINC000021116059 568668942 /nfs/dbraw/zinc/66/89/42/568668942.db2.gz MGFBTXNKBVAPRV-UHFFFAOYSA-N 0 0 422.937 6.197 50 0 HKAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 ZINC000021116069 568669109 /nfs/dbraw/zinc/66/91/09/568669109.db2.gz VQOGUKODJZQBCB-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN O=C(c1ccc2c(c1)NC(=O)c1ccccc1N2)N1CCC(Cc2ccccc2)CC1 ZINC000021117249 568669278 /nfs/dbraw/zinc/66/92/78/568669278.db2.gz WJDSQQKGJIPSRE-UHFFFAOYSA-N 0 0 411.505 5.091 50 0 HKAARN Cc1ccc(C)c(CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 ZINC000021117592 568669223 /nfs/dbraw/zinc/66/92/23/568669223.db2.gz WOHQSZZSHRJJHO-UHFFFAOYSA-N 0 0 422.575 5.302 50 0 HKAARN CCc1cccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)c1 ZINC000021117688 568669221 /nfs/dbraw/zinc/66/92/21/568669221.db2.gz KVGWXRBOKIRNFF-UHFFFAOYSA-N 0 0 420.534 5.201 50 0 HKAARN Cc1ccccc1CN1c2ccccc2S(=O)(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000021117696 568669310 /nfs/dbraw/zinc/66/93/10/568669310.db2.gz ZQSCKNYFPMECLJ-UHFFFAOYSA-N 0 0 420.534 5.454 50 0 HKAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000021117707 132472181 /nfs/dbraw/zinc/47/21/81/132472181.db2.gz DMSUEWDCXCYKLU-UHFFFAOYSA-N 0 0 420.534 5.454 50 0 HKAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)ccc1O2 ZINC000021117931 568669372 /nfs/dbraw/zinc/66/93/72/568669372.db2.gz QQHFLUVYWMWOSS-RHSMWYFYSA-N 0 0 416.827 5.432 50 0 HKAARN C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)C(=O)NC1CCCC1 ZINC000021120447 558431438 /nfs/dbraw/zinc/43/14/38/558431438.db2.gz PCHAVAWAHFFSDB-GFCCVEGCSA-N 0 0 401.532 5.037 50 0 HKAARN C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)C(=O)NC1CCCC1 ZINC000021120450 558431452 /nfs/dbraw/zinc/43/14/52/558431452.db2.gz PCHAVAWAHFFSDB-LBPRGKRZSA-N 0 0 401.532 5.037 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2OC)cc1 ZINC000021129670 568670082 /nfs/dbraw/zinc/67/00/82/568670082.db2.gz BTLXWNNGSZLFDG-UHFFFAOYSA-N 0 0 421.497 5.383 50 0 HKAARN O=C(Nc1cnc2ccccc2c1)C1CCC(C(=O)Nc2cnc3ccccc3c2)CC1 ZINC000021136585 558431939 /nfs/dbraw/zinc/43/19/39/558431939.db2.gz NHOSEMDRIGIAMQ-UHFFFAOYSA-N 0 0 424.504 5.167 50 0 HKAARN COCc1c2ccccc2oc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000021141315 558432246 /nfs/dbraw/zinc/43/22/46/558432246.db2.gz LSOGVVYUIYNNJE-UHFFFAOYSA-N 0 0 406.463 5.145 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1)c1ccco1 ZINC000021141740 558432234 /nfs/dbraw/zinc/43/22/34/558432234.db2.gz OUKHGSIQASABDU-UHFFFAOYSA-N 0 0 422.444 5.328 50 0 HKAARN O=C(Cc1noc2ccccc12)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000021143403 558432172 /nfs/dbraw/zinc/43/21/72/558432172.db2.gz ZTQLYYIGCPMOQQ-UHFFFAOYSA-N 0 0 418.403 5.421 50 0 HKAARN Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncnc(N3CCC(C)CC3)c12 ZINC000021146441 568671016 /nfs/dbraw/zinc/67/10/16/568671016.db2.gz XSCZZXXWUVXVAH-UHFFFAOYSA-N 0 0 417.538 5.037 50 0 HKAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncnc(N3CCC(C)CC3)c12 ZINC000021146444 568671116 /nfs/dbraw/zinc/67/11/16/568671116.db2.gz PSZCSCCDGVWBPT-UHFFFAOYSA-N 0 0 418.925 5.281 50 0 HKAARN COc1ccc(CN(CC[C@@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000021146927 568670968 /nfs/dbraw/zinc/67/09/68/568670968.db2.gz SQGCJJXFRGWDAL-RUZDIDTESA-N 0 0 413.558 5.552 50 0 HKAARN COc1ccc(CN(CC[C@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000021146930 568671135 /nfs/dbraw/zinc/67/11/35/568671135.db2.gz SQGCJJXFRGWDAL-VWLOTQADSA-N 0 0 413.558 5.552 50 0 HKAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000021146936 568670974 /nfs/dbraw/zinc/67/09/74/568670974.db2.gz BUJOFVRLAHXVEY-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000021146951 568671124 /nfs/dbraw/zinc/67/11/24/568671124.db2.gz ZTORUEMBWUEBHI-UHFFFAOYSA-N 0 0 400.478 6.188 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1C ZINC000021146957 558432458 /nfs/dbraw/zinc/43/24/58/558432458.db2.gz GDZXUHXKDZIUJY-UHFFFAOYSA-N 0 0 400.478 5.746 50 0 HKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000021146960 558432448 /nfs/dbraw/zinc/43/24/48/558432448.db2.gz JBWVQKRGPWGJJJ-UHFFFAOYSA-N 0 0 400.478 5.935 50 0 HKAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)ccc1F ZINC000021147448 568671096 /nfs/dbraw/zinc/67/10/96/568671096.db2.gz RYWSUEOVXAMDIM-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000021147451 568671111 /nfs/dbraw/zinc/67/11/11/568671111.db2.gz LEGYLTJHYHDNEY-UHFFFAOYSA-N 0 0 413.546 6.230 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000021147465 568671001 /nfs/dbraw/zinc/67/10/01/568671001.db2.gz LTRKCGINKVXQLF-UHFFFAOYSA-N 0 0 413.546 6.230 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000021147471 568670933 /nfs/dbraw/zinc/67/09/33/568670933.db2.gz DFBZOQLQKYZKGC-UHFFFAOYSA-N 0 0 413.546 6.230 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1F ZINC000021147519 568671128 /nfs/dbraw/zinc/67/11/28/568671128.db2.gz AOEFBCFDOPNQHB-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3-c2ccc(C)cc2)cc1 ZINC000021147777 568670937 /nfs/dbraw/zinc/67/09/37/568670937.db2.gz RQYFPAYJAPOFSQ-UHFFFAOYSA-N 0 0 418.500 5.932 50 0 HKAARN Cc1ccc(-c2cc(-c3ccccc3)nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000021147789 568670940 /nfs/dbraw/zinc/67/09/40/568670940.db2.gz FVWPPQKIBHPZOW-UHFFFAOYSA-N 0 0 422.463 5.763 50 0 HKAARN COc1ccc([C@@H]2NC(=O)c3c4c(sc3N2Cc2ccc(C)cc2)CCCC4)cc1 ZINC000021147801 568671087 /nfs/dbraw/zinc/67/10/87/568671087.db2.gz PSBDAFFJHOAVOE-HSZRJFAPSA-N 0 0 418.562 5.393 50 0 HKAARN COc1ccc([C@H]2NC(=O)c3c4c(sc3N2Cc2ccc(C)cc2)CCCC4)cc1 ZINC000021147804 568671100 /nfs/dbraw/zinc/67/11/00/568671100.db2.gz PSBDAFFJHOAVOE-QHCPKHFHSA-N 0 0 418.562 5.393 50 0 HKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000021147806 568671023 /nfs/dbraw/zinc/67/10/23/568671023.db2.gz VJLPTMQZBLMSSY-QFIPXVFZSA-N 0 0 404.535 5.084 50 0 HKAARN COc1ccc(CN2c3sc4c(c3C(=O)N[C@H]2c2ccccc2)CCCC4)cc1 ZINC000021147809 568671107 /nfs/dbraw/zinc/67/11/07/568671107.db2.gz VJLPTMQZBLMSSY-JOCHJYFZSA-N 0 0 404.535 5.084 50 0 HKAARN CCOc1ccc(N2C(=O)c3c(c4ccccc4nc3/C=C/c3ccccc3)C2=O)cc1 ZINC000021147860 568671051 /nfs/dbraw/zinc/67/10/51/568671051.db2.gz SMRPXZPGKSHCKN-SFQUDFHCSA-N 0 0 420.468 5.605 50 0 HKAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3ccccc3Cl)cc2)c1C ZINC000021147980 568671019 /nfs/dbraw/zinc/67/10/19/568671019.db2.gz JJPPJKKNDOIRPH-UHFFFAOYSA-N 0 0 424.917 5.190 50 0 HKAARN Cc1oc(C)c2c1c(=O)cc(-c1cccs1)cc2OC(=O)c1ccccc1Cl ZINC000021149261 568672171 /nfs/dbraw/zinc/67/21/71/568672171.db2.gz FYMNWUMCBGXZEJ-UHFFFAOYSA-N 0 0 410.878 6.011 50 0 HKAARN Cc1oc(C)c2c1c(=O)cc(-c1cccs1)cc2OC(=O)c1cccc(Cl)c1 ZINC000021149265 568671975 /nfs/dbraw/zinc/67/19/75/568671975.db2.gz MMZRFCWIXFNGEE-UHFFFAOYSA-N 0 0 410.878 6.011 50 0 HKAARN CCOc1cc(-c2ccc(OCc3ccccc3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021149281 568671998 /nfs/dbraw/zinc/67/19/98/568671998.db2.gz GTRFPTGRJPLHRY-UHFFFAOYSA-N 0 0 400.474 6.055 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)cc3)on1)CCCC2 ZINC000021149542 558432352 /nfs/dbraw/zinc/43/23/52/558432352.db2.gz RXLWVIDYOVTJLJ-UHFFFAOYSA-N 0 0 410.495 5.019 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3cccs3)c3ncccc3C)sc2c1 ZINC000021149603 558432420 /nfs/dbraw/zinc/43/24/20/558432420.db2.gz XEWNGQVULQERJL-UHFFFAOYSA-N 0 0 412.967 6.475 50 0 HKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nc4c(s3)CCCC4)s2)cc1 ZINC000021150018 568672151 /nfs/dbraw/zinc/67/21/51/568672151.db2.gz ZFHXFTCIHLPUIK-UHFFFAOYSA-N 0 0 413.568 5.181 50 0 HKAARN COc1ccc(-c2cc3nc(C)cc(Nc4ccc(C)c(Cl)c4)n3n2)cc1OC ZINC000021150299 558432460 /nfs/dbraw/zinc/43/24/60/558432460.db2.gz RCKWLGUAYHKGAO-UHFFFAOYSA-N 0 0 408.889 5.427 50 0 HKAARN CCCCc1ccc(Nc2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1 ZINC000021150324 558432410 /nfs/dbraw/zinc/43/24/10/558432410.db2.gz KXFZIHFNOKAWNS-UHFFFAOYSA-N 0 0 416.525 5.808 50 0 HKAARN Cc1cc(N2CCCCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150352 558432390 /nfs/dbraw/zinc/43/23/90/558432390.db2.gz PAMLILOMKXDOEE-UHFFFAOYSA-N 0 0 408.855 5.757 50 0 HKAARN Cc1cc(Nc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150368 558432407 /nfs/dbraw/zinc/43/24/07/558432407.db2.gz FYFKCEAKUACBOM-UHFFFAOYSA-N 0 0 402.807 6.121 50 0 HKAARN Cc1cc(N2CCC(C)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150391 558432400 /nfs/dbraw/zinc/43/24/00/558432400.db2.gz CMCZKYMZGDXPFZ-UHFFFAOYSA-N 0 0 408.855 5.613 50 0 HKAARN Cc1cc(N2CCCCCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150426 558432395 /nfs/dbraw/zinc/43/23/95/558432395.db2.gz IZMWUCPHRBBAPO-UHFFFAOYSA-N 0 0 408.855 5.757 50 0 HKAARN Cc1cc(Nc2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150443 558432736 /nfs/dbraw/zinc/43/27/36/558432736.db2.gz YJWXLIUUXGEDMR-UHFFFAOYSA-N 0 0 402.807 6.121 50 0 HKAARN Cc1cc(N2CCC(C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150463 558432632 /nfs/dbraw/zinc/43/26/32/558432632.db2.gz CKORYCQHYFOWKU-UHFFFAOYSA-N 0 0 408.855 5.613 50 0 HKAARN COc1ccccc1-c1cc2nc(C)cc(N3CCC(Cc4ccccc4)CC3)n2n1 ZINC000021150559 558432606 /nfs/dbraw/zinc/43/26/06/558432606.db2.gz PDPNDKKJUVRSCB-UHFFFAOYSA-N 0 0 412.537 5.172 50 0 HKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCC[C@@H]1c1cccs1 ZINC000021150670 558432586 /nfs/dbraw/zinc/43/25/86/558432586.db2.gz JGUKTOCZJLXHDK-QGZVFWFLSA-N 0 0 424.476 5.373 50 0 HKAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CCC[C@H]1c1cccs1 ZINC000021150674 558432720 /nfs/dbraw/zinc/43/27/20/558432720.db2.gz JGUKTOCZJLXHDK-KRWDZBQOSA-N 0 0 424.476 5.373 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3cccc4ccccc43)[nH]n2)O[C@@H]1/C(C)=C/c1ccccc1 ZINC000021151754 568672580 /nfs/dbraw/zinc/67/25/80/568672580.db2.gz JGAKORBJYIJNOU-OFOQCOESSA-N 0 0 422.488 5.200 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3cccc4ccccc43)[nH]n2)O[C@H]1/C(C)=C/c1ccccc1 ZINC000021151758 568672439 /nfs/dbraw/zinc/67/24/39/568672439.db2.gz JGAKORBJYIJNOU-DSDNZOFKSA-N 0 0 422.488 5.200 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(C)cc2)c1C ZINC000021152500 568672483 /nfs/dbraw/zinc/67/24/83/568672483.db2.gz QBIFMCCALOVTHP-UHFFFAOYSA-N 0 0 418.537 5.268 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000021152512 568672448 /nfs/dbraw/zinc/67/24/48/568672448.db2.gz UTHHKWALLWRLAB-UHFFFAOYSA-N 0 0 422.500 5.098 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)c1C ZINC000021152518 568672568 /nfs/dbraw/zinc/67/25/68/568672568.db2.gz ZAFUGBDIMNBKAR-UHFFFAOYSA-N 0 0 422.500 5.098 50 0 HKAARN Cc1ccc(NC(=O)c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)s2)cc1 ZINC000021152714 568672531 /nfs/dbraw/zinc/67/25/31/568672531.db2.gz CIIRDAKJPZRNRB-UHFFFAOYSA-N 0 0 420.519 5.080 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1C ZINC000021152809 558432740 /nfs/dbraw/zinc/43/27/40/558432740.db2.gz FVNJYVZRJBKHEP-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000021152983 568672844 /nfs/dbraw/zinc/67/28/44/568672844.db2.gz IEOAPBJQGJJCMF-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCc1cccc(Cl)c1 ZINC000021153256 568672840 /nfs/dbraw/zinc/67/28/40/568672840.db2.gz ZJDVZSPAPUFVAG-UHFFFAOYSA-N 0 0 417.918 5.046 50 0 HKAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCC1=CCCCC1 ZINC000021153390 568672884 /nfs/dbraw/zinc/67/28/84/568672884.db2.gz NMQOFRTZRJRUKS-UHFFFAOYSA-N 0 0 401.532 5.082 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)NCc3ccccc3Cl)nc3ccccc32)c1 ZINC000021156254 568673541 /nfs/dbraw/zinc/67/35/41/568673541.db2.gz OBXVOQATZFLKHA-UHFFFAOYSA-N 0 0 402.885 5.265 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)Nc3cccc(Cl)c3C)nc3ccccc32)c1 ZINC000021156274 568673517 /nfs/dbraw/zinc/67/35/17/568673517.db2.gz VHSBWMWKDKWIDK-UHFFFAOYSA-N 0 0 402.885 5.896 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc3ccccc32)c1 ZINC000021156278 568673668 /nfs/dbraw/zinc/67/36/68/568673668.db2.gz NVTOFALVBNBAGT-UHFFFAOYSA-N 0 0 402.885 5.896 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)c1 ZINC000021156289 568673656 /nfs/dbraw/zinc/67/36/56/568673656.db2.gz FQKQIVPVYYBIIX-UHFFFAOYSA-N 0 0 402.885 5.896 50 0 HKAARN Clc1ccccc1CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000021156478 568673835 /nfs/dbraw/zinc/67/38/35/568673835.db2.gz BDHDNDGWXOGSSC-UHFFFAOYSA-N 0 0 413.868 5.612 50 0 HKAARN CCc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000021156526 568673794 /nfs/dbraw/zinc/67/37/94/568673794.db2.gz PZVCTRGXEWDALI-UHFFFAOYSA-N 0 0 407.477 5.521 50 0 HKAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)csc21 ZINC000021157777 568673772 /nfs/dbraw/zinc/67/37/72/568673772.db2.gz ZTOISHRVLVZEEX-INIZCTEOSA-N 0 0 413.926 5.950 50 0 HKAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)csc21 ZINC000021157780 568673888 /nfs/dbraw/zinc/67/38/88/568673888.db2.gz ZTOISHRVLVZEEX-MRXNPFEDSA-N 0 0 413.926 5.950 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157827 568673842 /nfs/dbraw/zinc/67/38/42/568673842.db2.gz ZSHALMXQDRPAJO-INIZCTEOSA-N 0 0 413.926 5.950 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157830 568673828 /nfs/dbraw/zinc/67/38/28/568673828.db2.gz ZSHALMXQDRPAJO-MRXNPFEDSA-N 0 0 413.926 5.950 50 0 HKAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2scc(-c3ccc(Cl)cc3)c2N1 ZINC000021157887 568673848 /nfs/dbraw/zinc/67/38/48/568673848.db2.gz BVSSVHVLIZRWPR-HNNXBMFYSA-N 0 0 407.844 6.561 50 0 HKAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2scc(-c3ccc(Cl)cc3)c2N1 ZINC000021157891 568674222 /nfs/dbraw/zinc/67/42/22/568674222.db2.gz BVSSVHVLIZRWPR-OAHLLOKOSA-N 0 0 407.844 6.561 50 0 HKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)C1(c2ccccc2)CCCC1 ZINC000021157916 568674083 /nfs/dbraw/zinc/67/40/83/568674083.db2.gz USILZCTWMIKBPB-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021158543 568674146 /nfs/dbraw/zinc/67/41/46/568674146.db2.gz ZVLMLVCYVDWKPV-UHFFFAOYSA-N 0 0 419.477 5.055 50 0 HKAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccccc1C)CCCC3 ZINC000021161176 568674375 /nfs/dbraw/zinc/67/43/75/568674375.db2.gz WMSGKACBRIYDOE-UHFFFAOYSA-N 0 0 410.539 5.073 50 0 HKAARN C=Cc1ccc(Cn2c3sc4c(c3c(NC(C)=O)c2C(=O)OCC)CCCC4)cc1 ZINC000021161180 568674483 /nfs/dbraw/zinc/67/44/83/568674483.db2.gz SEHUEDONRVWBTA-UHFFFAOYSA-N 0 0 422.550 5.408 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc3c(c2)nc(Cc2ccccc2C)n3C)cc1 ZINC000021161710 568674479 /nfs/dbraw/zinc/67/44/79/568674479.db2.gz LWLHAHQJPOTACD-UHFFFAOYSA-N 0 0 400.482 5.125 50 0 HKAARN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021164593 568674752 /nfs/dbraw/zinc/67/47/52/568674752.db2.gz CLXSGVXLTZZKQW-UHFFFAOYSA-N 0 0 419.864 5.968 50 0 HKAARN CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1 ZINC000021166731 568674848 /nfs/dbraw/zinc/67/48/48/568674848.db2.gz UGYBEDWWLIIOLQ-UHFFFAOYSA-N 0 0 417.939 5.023 50 0 HKAARN COCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000021167030 568674893 /nfs/dbraw/zinc/67/48/93/568674893.db2.gz KIDDWQVJBWJIFX-UHFFFAOYSA-N 0 0 419.955 5.556 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000021167638 558432943 /nfs/dbraw/zinc/43/29/43/558432943.db2.gz ZQJKVTBANXFGLS-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000021167643 558432888 /nfs/dbraw/zinc/43/28/88/558432888.db2.gz ZQJKVTBANXFGLS-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000021167669 568675148 /nfs/dbraw/zinc/67/51/48/568675148.db2.gz XBYFZGMZACMMEE-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000021167673 568675163 /nfs/dbraw/zinc/67/51/63/568675163.db2.gz XBYFZGMZACMMEE-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000021167679 568675219 /nfs/dbraw/zinc/67/52/19/568675219.db2.gz LPIXEFWUFDJRRX-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000021167684 568675199 /nfs/dbraw/zinc/67/51/99/568675199.db2.gz LPIXEFWUFDJRRX-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(Cl)c1 ZINC000021167690 568675089 /nfs/dbraw/zinc/67/50/89/568675089.db2.gz GUHVRBRMGWCKQL-IBGZPJMESA-N 0 0 415.924 5.453 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(Cl)c1 ZINC000021167695 568675066 /nfs/dbraw/zinc/67/50/66/568675066.db2.gz GUHVRBRMGWCKQL-LJQANCHMSA-N 0 0 415.924 5.453 50 0 HKAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000021167733 568675227 /nfs/dbraw/zinc/67/52/27/568675227.db2.gz MDWPCQBNHAAREH-CVEARBPZSA-N 0 0 415.459 5.622 50 0 HKAARN CC[C@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000021167738 568675178 /nfs/dbraw/zinc/67/51/78/568675178.db2.gz MDWPCQBNHAAREH-HOTGVXAUSA-N 0 0 415.459 5.622 50 0 HKAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000021167743 568675062 /nfs/dbraw/zinc/67/50/62/568675062.db2.gz MDWPCQBNHAAREH-HZPDHXFCSA-N 0 0 415.459 5.622 50 0 HKAARN CC[C@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000021167748 568675119 /nfs/dbraw/zinc/67/51/19/568675119.db2.gz MDWPCQBNHAAREH-JKSUJKDBSA-N 0 0 415.459 5.622 50 0 HKAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)Oc1cccc(C)c1 ZINC000021168491 558432923 /nfs/dbraw/zinc/43/29/23/558432923.db2.gz KMXIMDGWVDBJDO-LJQANCHMSA-N 0 0 402.494 5.572 50 0 HKAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H](C)Oc1cccc(C)c1 ZINC000021168495 558432802 /nfs/dbraw/zinc/43/28/02/558432802.db2.gz KMXIMDGWVDBJDO-IBGZPJMESA-N 0 0 402.494 5.572 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccccc1)N(c1ccccc1)C3=O ZINC000021169314 536704417 /nfs/dbraw/zinc/70/44/17/536704417.db2.gz VMFHZHIUMKQLTG-QFIPXVFZSA-N 0 0 415.518 5.522 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccccc1)N(c1ccccc1)C3=O ZINC000021169319 568676143 /nfs/dbraw/zinc/67/61/43/568676143.db2.gz VMFHZHIUMKQLTG-JOCHJYFZSA-N 0 0 415.518 5.522 50 0 HKAARN COc1ccc(C2=Nc3ccc(Cl)cc3N=C(c3ccc(OC)c(OC)c3)N2)cc1 ZINC000021169522 568676242 /nfs/dbraw/zinc/67/62/42/568676242.db2.gz MOHFAJFMMUFFFG-UHFFFAOYSA-N 0 0 421.884 5.316 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 ZINC000021176533 568677316 /nfs/dbraw/zinc/67/73/16/568677316.db2.gz JTZVQQROLYJJAM-UHFFFAOYSA-N 0 0 407.520 5.123 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc3ccccc31)CC(=O)N2 ZINC000021177412 568677588 /nfs/dbraw/zinc/67/75/88/568677588.db2.gz PDLDVDWJOBHZDI-SFHVURJKSA-N 0 0 410.502 5.418 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc3ccccc31)CC(=O)N2 ZINC000021177417 568677631 /nfs/dbraw/zinc/67/76/31/568677631.db2.gz PDLDVDWJOBHZDI-GOSISDBHSA-N 0 0 410.502 5.418 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc3ccccc3c1)CC(=O)N2 ZINC000021177422 568677548 /nfs/dbraw/zinc/67/75/48/568677548.db2.gz QOCVUBNTFRSQCF-SFHVURJKSA-N 0 0 410.502 5.418 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc3ccccc3c1)CC(=O)N2 ZINC000021177427 568677478 /nfs/dbraw/zinc/67/74/78/568677478.db2.gz QOCVUBNTFRSQCF-GOSISDBHSA-N 0 0 410.502 5.418 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021177597 568677490 /nfs/dbraw/zinc/67/74/90/568677490.db2.gz DKQMBTXNTMVCFO-INIZCTEOSA-N 0 0 418.522 5.052 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000021177603 568677439 /nfs/dbraw/zinc/67/74/39/568677439.db2.gz DKQMBTXNTMVCFO-MRXNPFEDSA-N 0 0 418.522 5.052 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000021177608 568677619 /nfs/dbraw/zinc/67/76/19/568677619.db2.gz TUAKFEWIGQDKPK-KRWDZBQOSA-N 0 0 418.522 5.052 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000021177612 568677595 /nfs/dbraw/zinc/67/75/95/568677595.db2.gz TUAKFEWIGQDKPK-QGZVFWFLSA-N 0 0 418.522 5.052 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000021177731 568677591 /nfs/dbraw/zinc/67/75/91/568677591.db2.gz RONIJVLCMLBZMA-LLVKDONJSA-N 0 0 412.877 5.057 50 0 HKAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000021177737 568677515 /nfs/dbraw/zinc/67/75/15/568677515.db2.gz RONIJVLCMLBZMA-NSHDSACASA-N 0 0 412.877 5.057 50 0 HKAARN CC(C)c1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)[nH]1 ZINC000021178830 568677609 /nfs/dbraw/zinc/67/76/09/568677609.db2.gz WMOPNHUHWSYOJP-UHFFFAOYSA-N 0 0 409.559 5.205 50 0 HKAARN COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(F)cc1Cl ZINC000021181342 558433146 /nfs/dbraw/zinc/43/31/46/558433146.db2.gz RHYBQRICMMKCLI-UHFFFAOYSA-N 0 0 419.905 5.157 50 0 HKAARN Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC000021198144 558433866 /nfs/dbraw/zinc/43/38/66/558433866.db2.gz ZWYIJCHVBYEZRQ-UHFFFAOYSA-N 0 0 424.610 5.150 50 0 HKAARN Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000021206449 568681118 /nfs/dbraw/zinc/68/11/18/568681118.db2.gz HTMHLIJUJTZUJY-UHFFFAOYSA-N 0 0 410.326 5.713 50 0 HKAARN CNc1snc(C)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000021206453 558433929 /nfs/dbraw/zinc/43/39/29/558433929.db2.gz LOKSDUAHHDTGBC-UHFFFAOYSA-N 0 0 413.355 5.100 50 0 HKAARN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000021207999 558433856 /nfs/dbraw/zinc/43/38/56/558433856.db2.gz CXMFWJVCYSEZJZ-QHCPKHFHSA-N 0 0 421.541 5.287 50 0 HKAARN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000021208001 558433893 /nfs/dbraw/zinc/43/38/93/558433893.db2.gz CXMFWJVCYSEZJZ-HSZRJFAPSA-N 0 0 421.541 5.287 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000021209466 558433933 /nfs/dbraw/zinc/43/39/33/558433933.db2.gz NCBTXMKHNONJRQ-UHFFFAOYSA-N 0 0 407.401 5.047 50 0 HKAARN COc1ccccc1NC(=O)Cn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000021216708 558434140 /nfs/dbraw/zinc/43/41/40/558434140.db2.gz BUCVNJAIPYTFST-UHFFFAOYSA-N 0 0 421.500 5.428 50 0 HKAARN COc1ccccc1NC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F ZINC000021225070 568683739 /nfs/dbraw/zinc/68/37/39/568683739.db2.gz HMFDQTWSZOJGEU-UHFFFAOYSA-N 0 0 420.871 6.264 50 0 HKAARN Fc1ccccc1-c1cc(-c2cc(F)c(Cl)cc2Cl)nc2ccc(Cl)cc21 ZINC000021225090 558434179 /nfs/dbraw/zinc/43/41/79/558434179.db2.gz GSFRVHDGPBLQMU-UHFFFAOYSA-N 0 0 420.673 7.807 50 0 HKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3nnc4ccccn43)cc2)c1 ZINC000021235055 568685700 /nfs/dbraw/zinc/68/57/00/568685700.db2.gz QGZOVDMMMJCIBO-UHFFFAOYSA-N 0 0 420.563 5.228 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000021248116 568685765 /nfs/dbraw/zinc/68/57/65/568685765.db2.gz VLTMAHIZOKUAKJ-UHFFFAOYSA-N 0 0 419.525 5.042 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000021283817 558434814 /nfs/dbraw/zinc/43/48/14/558434814.db2.gz HQSACAWKBNHYKV-OAHLLOKOSA-N 0 0 424.595 5.112 50 0 HKAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000021283821 558434796 /nfs/dbraw/zinc/43/47/96/558434796.db2.gz HQSACAWKBNHYKV-HNNXBMFYSA-N 0 0 424.595 5.112 50 0 HKAARN CCN1CCc2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2C1 ZINC000021294602 568686934 /nfs/dbraw/zinc/68/69/34/568686934.db2.gz NQFXOCVJWSZAQA-UHFFFAOYSA-N 0 0 421.444 5.052 50 0 HKAARN CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)C(=C(O)c1ccc(F)cc1)c1ccccc1 ZINC000021297675 558435109 /nfs/dbraw/zinc/43/51/09/558435109.db2.gz SNPBHOICIJUUFB-XZOQPEGZSA-N 0 0 417.480 5.272 50 0 in-vitro HKAARN CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)C(=C(O)c1ccc(F)cc1)c1ccccc1 ZINC000021297683 558435186 /nfs/dbraw/zinc/43/51/86/558435186.db2.gz SNPBHOICIJUUFB-DHIUTWEWSA-N 0 0 417.480 5.272 50 0 in-vitro HKAARN CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)C(=C(O)c1ccc(F)cc1)c1ccccc1 ZINC000021297688 558435018 /nfs/dbraw/zinc/43/50/18/558435018.db2.gz SNPBHOICIJUUFB-PKTZIBPZSA-N 0 0 417.480 5.272 50 0 in-vitro HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1Br ZINC000021305253 558435339 /nfs/dbraw/zinc/43/53/39/558435339.db2.gz IWMQCXXZWXCMOQ-CYBMUJFWSA-N 0 0 417.278 5.053 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1Br ZINC000021305257 558435391 /nfs/dbraw/zinc/43/53/91/558435391.db2.gz IWMQCXXZWXCMOQ-ZDUSSCGKSA-N 0 0 417.278 5.053 50 0 HKAARN Cc1oc2cc(OC(=O)CCCc3cccs3)ccc2c(=O)c1-c1ccccc1 ZINC000021321655 568687441 /nfs/dbraw/zinc/68/74/41/568687441.db2.gz FFNXPBXQALZUOK-UHFFFAOYSA-N 0 0 404.487 5.758 50 0 HKAARN COc1ccccc1CN(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000021328708 558435809 /nfs/dbraw/zinc/43/58/09/558435809.db2.gz GQHONKCOOILXNX-UHFFFAOYSA-N 0 0 419.308 5.248 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1ccc2ccccc2n1 ZINC000021331505 558435823 /nfs/dbraw/zinc/43/58/23/558435823.db2.gz WSXLPEPWUZPNHP-UHFFFAOYSA-N 0 0 402.523 5.077 50 0 HKAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccnn1C1CCCC1 ZINC000021331971 558436080 /nfs/dbraw/zinc/43/60/80/558436080.db2.gz ZFINJBVWBFRGEV-UHFFFAOYSA-N 0 0 421.341 5.053 50 0 HKAARN CC(=O)N(c1nc(CSc2nnc(Cc3ccccc3)o2)cs1)c1ccccc1 ZINC000021332140 558436063 /nfs/dbraw/zinc/43/60/63/558436063.db2.gz NVVOECQXUHQMIT-UHFFFAOYSA-N 0 0 422.535 5.094 50 0 HKAARN O=c1c2ccc(Cl)cc2nc(SCc2nc3ccccc3o2)n1Cc1ccco1 ZINC000021339779 558436525 /nfs/dbraw/zinc/43/65/25/558436525.db2.gz DLYMQZSUDFWURV-UHFFFAOYSA-N 0 0 423.881 5.125 50 0 HKAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(Cl)c3)cc2s1 ZINC000021353103 568687675 /nfs/dbraw/zinc/68/76/75/568687675.db2.gz UHBYDWOGRWCSKB-UHFFFAOYSA-N 0 0 401.919 5.116 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CCc1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000021353130 568687689 /nfs/dbraw/zinc/68/76/89/568687689.db2.gz HHSBELLFSBQCLW-UHFFFAOYSA-N 0 0 415.946 5.424 50 0 HKAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2s1 ZINC000021353244 568687703 /nfs/dbraw/zinc/68/77/03/568687703.db2.gz FGMPIODCMLYHBD-UHFFFAOYSA-N 0 0 409.555 5.586 50 0 HKAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)N[C@@H]3CCCc4ccccc43)cc2s1 ZINC000021353274 568688050 /nfs/dbraw/zinc/68/80/50/568688050.db2.gz NVHCVTDYBITCGU-LJQANCHMSA-N 0 0 421.566 5.017 50 0 HKAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)N[C@H]3CCCc4ccccc43)cc2s1 ZINC000021353280 568687763 /nfs/dbraw/zinc/68/77/63/568687763.db2.gz NVHCVTDYBITCGU-IBGZPJMESA-N 0 0 421.566 5.017 50 0 HKAARN Cc1ccsc1C(=O)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C(C)C ZINC000021355150 568687949 /nfs/dbraw/zinc/68/79/49/568687949.db2.gz SVVCLVVOXVBVKJ-UHFFFAOYSA-N 0 0 408.548 5.829 50 0 HKAARN CC(C)N1c2ccc(NC(=O)Cc3cccs3)cc2Sc2ccccc2C1=O ZINC000021355198 568687985 /nfs/dbraw/zinc/68/79/85/568687985.db2.gz GMXRDRFHZFKMMW-UHFFFAOYSA-N 0 0 408.548 5.449 50 0 HKAARN CC(C)N1c2ccc(NC(=O)c3ccc(Cl)nc3)cc2Sc2ccccc2C1=O ZINC000021355209 568687994 /nfs/dbraw/zinc/68/79/94/568687994.db2.gz JFVFIIRDTFEEQI-UHFFFAOYSA-N 0 0 423.925 5.507 50 0 HKAARN CC(C)N1c2ccc(NC(=O)/C=C/c3ccco3)cc2Sc2ccccc2C1=O ZINC000021355241 568688056 /nfs/dbraw/zinc/68/80/56/568688056.db2.gz YVNQXDQOBZPPQH-ZRDIBKRKSA-N 0 0 404.491 5.451 50 0 HKAARN COCCN1c2ccc(NC(=O)c3sccc3C)cc2Sc2ccccc2C1=O ZINC000021355286 568688328 /nfs/dbraw/zinc/68/83/28/568688328.db2.gz MIIWHUKETYIPBG-UHFFFAOYSA-N 0 0 424.547 5.067 50 0 HKAARN COCCN1c2ccc(NC(=O)CCC3CCCC3)cc2Sc2ccccc2C1=O ZINC000021355318 568688270 /nfs/dbraw/zinc/68/82/70/568688270.db2.gz PBDLZSKVEFVPCN-UHFFFAOYSA-N 0 0 424.566 5.353 50 0 HKAARN COCCN1c2ccc(NC(=O)c3cccc(C)c3)cc2Sc2ccccc2C1=O ZINC000021355363 568688460 /nfs/dbraw/zinc/68/84/60/568688460.db2.gz YVCXFBXGYAOLEG-UHFFFAOYSA-N 0 0 418.518 5.005 50 0 HKAARN COCCN1c2ccc(NC(=O)c3ccc(C)cc3)cc2Sc2ccccc2C1=O ZINC000021355368 568688316 /nfs/dbraw/zinc/68/83/16/568688316.db2.gz RBYZGFHNLMFOKN-UHFFFAOYSA-N 0 0 418.518 5.005 50 0 HKAARN COc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)cc1OC ZINC000021356428 558437278 /nfs/dbraw/zinc/43/72/78/558437278.db2.gz KXCRMWKJFXYHNU-UHFFFAOYSA-N 0 0 408.523 5.278 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3cccc(F)c3)o2)cc1)c1ccccc1 ZINC000021356797 558437247 /nfs/dbraw/zinc/43/72/47/558437247.db2.gz JQVWIHXBKXLBLD-UHFFFAOYSA-N 0 0 405.454 5.420 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000021356887 558437192 /nfs/dbraw/zinc/43/71/92/558437192.db2.gz FAMWITPWBMPJQW-UHFFFAOYSA-N 0 0 405.404 6.239 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1OC 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Cc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021361950 568690278 /nfs/dbraw/zinc/69/02/78/568690278.db2.gz BNWMJPPKKMHWQN-UHFFFAOYSA-N 0 0 419.500 5.488 50 0 HKAARN Cc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362135 568690263 /nfs/dbraw/zinc/69/02/63/568690263.db2.gz HSYGEBAVSOGTJG-UHFFFAOYSA-N 0 0 415.537 5.657 50 0 HKAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCCC2=CCCCC2)c1 ZINC000021362296 568690226 /nfs/dbraw/zinc/69/02/26/568690226.db2.gz MJBBYILHACUWPG-UHFFFAOYSA-N 0 0 401.510 5.349 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccc(Br)o1 ZINC000021362733 568690487 /nfs/dbraw/zinc/69/04/87/568690487.db2.gz QJJNCEIVCGBDRZ-UHFFFAOYSA-N 0 0 409.239 5.616 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)cc1OC ZINC000021362883 568690426 /nfs/dbraw/zinc/69/04/26/568690426.db2.gz WSQBRKJILBSFMK-UHFFFAOYSA-N 0 0 414.461 5.587 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)cc1 ZINC000021362911 568690521 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Cc1ccc(-c2coc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)n2)c(C)c1 ZINC000021363126 568690577 /nfs/dbraw/zinc/69/05/77/568690577.db2.gz BTZXWRZKJHEHCI-UHFFFAOYSA-N 0 0 416.452 5.782 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3cccc(Br)c3)co2)cc1)c1ccco1 ZINC000021363133 568690550 /nfs/dbraw/zinc/69/05/50/568690550.db2.gz YQZDNQVOWTYTGA-UHFFFAOYSA-N 0 0 409.239 5.616 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1OC ZINC000021363139 568690527 /nfs/dbraw/zinc/69/05/27/568690527.db2.gz VXFHSHGGXARNNI-UHFFFAOYSA-N 0 0 415.449 5.670 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000021363198 568690518 /nfs/dbraw/zinc/69/05/18/568690518.db2.gz SSQLWGRAPBBDPW-UHFFFAOYSA-N 0 0 407.832 6.445 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000021363222 568509773 /nfs/dbraw/zinc/50/97/73/568509773.db2.gz WIQVACVFUUOLIE-UHFFFAOYSA-N 0 0 413.433 5.424 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000021363239 568690412 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CCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)cc1 ZINC000021363328 568690584 /nfs/dbraw/zinc/69/05/84/568690584.db2.gz BNQPLBWXRWDULP-UHFFFAOYSA-N 0 0 413.477 6.360 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)n2)cc1 ZINC000021363352 568690589 /nfs/dbraw/zinc/69/05/89/568690589.db2.gz OMXCEVLCGSLLHL-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)n2)cc1 ZINC000021363378 568690505 /nfs/dbraw/zinc/69/05/05/568690505.db2.gz ZKLCKOHXWODWJP-UHFFFAOYSA-N 0 0 405.404 6.239 50 0 HKAARN CSc1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)co3)cc2)c1 ZINC000021363383 568690537 /nfs/dbraw/zinc/69/05/37/568690537.db2.gz ONRRYHYGYXZOHN-UHFFFAOYSA-N 0 0 415.518 6.683 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)n2)cc1 ZINC000021363403 568690515 /nfs/dbraw/zinc/69/05/15/568690515.db2.gz MOZJVQZQQBYQLR-UHFFFAOYSA-N 0 0 405.404 6.239 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000021363433 568690422 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50 0 HKAARN COc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc(OC)c1 ZINC000021366880 568690707 /nfs/dbraw/zinc/69/07/07/568690707.db2.gz XYTAMGVJIBOXQW-NRFANRHFSA-N 0 0 421.884 5.609 50 0 HKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc(OC)c1 ZINC000021366887 568690828 /nfs/dbraw/zinc/69/08/28/568690828.db2.gz XYTAMGVJIBOXQW-OAQYLSRUSA-N 0 0 421.884 5.609 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl ZINC000021389733 558437736 /nfs/dbraw/zinc/43/77/36/558437736.db2.gz YPUWMXIXRAWCIV-GFCCVEGCSA-N 0 0 407.272 5.598 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl ZINC000021389738 558437673 /nfs/dbraw/zinc/43/76/73/558437673.db2.gz YPUWMXIXRAWCIV-LBPRGKRZSA-N 0 0 407.272 5.598 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)CCCC2 ZINC000021398298 558438023 /nfs/dbraw/zinc/43/80/23/558438023.db2.gz AXSXTFRQRRBNBE-OAHLLOKOSA-N 0 0 410.464 5.309 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)CCCC2 ZINC000021398305 558437910 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Cc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000021410212 558437996 /nfs/dbraw/zinc/43/79/96/558437996.db2.gz QABCNOQNSPBOPX-AWEZNQCLSA-N 0 0 403.309 5.767 50 0 HKAARN Cc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n(CC(C)C)c1C ZINC000021432455 568702079 /nfs/dbraw/zinc/70/20/79/568702079.db2.gz UNRYFKYTBYFECV-UHFFFAOYSA-N 0 0 419.900 5.559 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc21 ZINC000021433993 558438148 /nfs/dbraw/zinc/43/81/48/558438148.db2.gz MUCCAWKISKZUIL-MRXNPFEDSA-N 0 0 404.897 5.958 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc21 ZINC000021433995 558438198 /nfs/dbraw/zinc/43/81/98/558438198.db2.gz MUCCAWKISKZUIL-INIZCTEOSA-N 0 0 404.897 5.958 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCCSc2ccccc21 ZINC000021438754 558438138 /nfs/dbraw/zinc/43/81/38/558438138.db2.gz PHJDDPDVHBEYKZ-UHFFFAOYSA-N 0 0 415.921 5.175 50 0 HKAARN Cc1nc(COc2ccccc2/C=C/C(=O)N(C)[C@@H]2CCCc3ccccc32)cs1 ZINC000021440424 568463321 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CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)CC1=O ZINC000021524548 558440364 /nfs/dbraw/zinc/44/03/64/558440364.db2.gz OFNOQGZIYIKKMI-OAQYLSRUSA-N 0 0 419.569 5.238 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(C)c(C)c2)CC1=O ZINC000021524551 558440328 /nfs/dbraw/zinc/44/03/28/558440328.db2.gz LWMKNYRKQHAYRK-NRFANRHFSA-N 0 0 419.569 5.238 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)c(C)c2)CC1=O ZINC000021524553 558440296 /nfs/dbraw/zinc/44/02/96/558440296.db2.gz LWMKNYRKQHAYRK-OAQYLSRUSA-N 0 0 419.569 5.238 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(CC)cc2)CC1=O ZINC000021524561 558440350 /nfs/dbraw/zinc/44/03/50/558440350.db2.gz XZWNGHUQDQEOFA-NRFANRHFSA-N 0 0 419.569 5.184 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(CC)cc2)CC1=O ZINC000021524564 558440674 /nfs/dbraw/zinc/44/06/74/558440674.db2.gz XZWNGHUQDQEOFA-OAQYLSRUSA-N 0 0 419.569 5.184 50 0 HKAARN O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccccc1Cl ZINC000021524567 568709237 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/nfs/dbraw/zinc/70/92/64/568709264.db2.gz QGNWSDRKBBCHKC-UHFFFAOYSA-N 0 0 405.841 5.318 50 0 HKAARN CCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)n1 ZINC000021525645 568709167 /nfs/dbraw/zinc/70/91/67/568709167.db2.gz AMIKIXLEJVANER-UHFFFAOYSA-N 0 0 405.498 5.347 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000021525651 568709174 /nfs/dbraw/zinc/70/91/74/568709174.db2.gz GOJALRBUFNIBFM-UHFFFAOYSA-N 0 0 410.260 5.963 50 0 HKAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000021527437 568709695 /nfs/dbraw/zinc/70/96/95/568709695.db2.gz RQZDYYWEKCZHKR-SANMLTNESA-N 0 0 421.585 5.028 50 0 HKAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000021527440 568709579 /nfs/dbraw/zinc/70/95/79/568709579.db2.gz RQZDYYWEKCZHKR-AREMUKBSSA-N 0 0 421.585 5.028 50 0 HKAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000021528356 558440681 /nfs/dbraw/zinc/44/06/81/558440681.db2.gz VTWVZVSYUCKIJS-UHFFFAOYSA-N 0 0 423.438 5.611 50 0 HKAARN CCc1cccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000021530371 568710627 /nfs/dbraw/zinc/71/06/27/568710627.db2.gz YJWVHYUOFFPYJK-HSZRJFAPSA-N 0 0 402.469 5.114 50 0 HKAARN CCc1cccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000021530373 568710617 /nfs/dbraw/zinc/71/06/17/568710617.db2.gz YJWVHYUOFFPYJK-QHCPKHFHSA-N 0 0 402.469 5.114 50 0 HKAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000021531198 568466408 /nfs/dbraw/zinc/46/64/08/568466408.db2.gz MBFRSKIYBCMQLS-UHFFFAOYSA-N 0 0 410.433 5.116 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531201 558440589 /nfs/dbraw/zinc/44/05/89/558440589.db2.gz UEHOVJZVVZJXAL-UHFFFAOYSA-N 0 0 424.913 5.132 50 0 HKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1C ZINC000021531205 558440487 /nfs/dbraw/zinc/44/04/87/558440487.db2.gz QSJQDRSZNQEPDB-UHFFFAOYSA-N 0 0 418.522 5.095 50 0 HKAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531206 558440586 /nfs/dbraw/zinc/44/05/86/558440586.db2.gz WHJJTXYDLWSSDY-UHFFFAOYSA-N 0 0 418.522 5.041 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 ZINC000021531212 558440629 /nfs/dbraw/zinc/44/06/29/558440629.db2.gz PJVWOYUFGPIXSM-UHFFFAOYSA-N 0 0 418.522 5.095 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(C)c1 ZINC000021531214 558440610 /nfs/dbraw/zinc/44/06/10/558440610.db2.gz JLNPLOKNLKRCQM-UHFFFAOYSA-N 0 0 418.522 5.095 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1C ZINC000021531218 558440499 /nfs/dbraw/zinc/44/04/99/558440499.db2.gz JVAVFCMZYZSLSG-UHFFFAOYSA-N 0 0 418.522 5.095 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 ZINC000021531222 558440614 /nfs/dbraw/zinc/44/06/14/558440614.db2.gz ZXECXURKOMIYAL-UHFFFAOYSA-N 0 0 418.522 5.095 50 0 HKAARN CCc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 ZINC000021531232 558440670 /nfs/dbraw/zinc/44/06/70/558440670.db2.gz VLEYNUKTRALENV-UHFFFAOYSA-N 0 0 418.522 5.041 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000021531297 568711028 /nfs/dbraw/zinc/71/10/28/568711028.db2.gz JAXUFSFQKWTTBP-IBGZPJMESA-N 0 0 414.461 5.305 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000021531300 568710989 /nfs/dbraw/zinc/71/09/89/568710989.db2.gz JAXUFSFQKWTTBP-LJQANCHMSA-N 0 0 414.461 5.305 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000021533329 568711625 /nfs/dbraw/zinc/71/16/25/568711625.db2.gz QFUIWKSNXHNGLN-UHFFFAOYSA-N 0 0 401.919 5.553 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000021534804 558440832 /nfs/dbraw/zinc/44/08/32/558440832.db2.gz SLDCMGKCJODFPB-NRFANRHFSA-N 0 0 424.526 5.030 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000021534807 558440947 /nfs/dbraw/zinc/44/09/47/558440947.db2.gz SLDCMGKCJODFPB-OAQYLSRUSA-N 0 0 424.526 5.030 50 0 HKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021536284 568712189 /nfs/dbraw/zinc/71/21/89/568712189.db2.gz FXVLYJWUDKCNKV-MHZLTWQESA-N 0 0 421.544 6.738 50 0 HKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021536286 568712059 /nfs/dbraw/zinc/71/20/59/568712059.db2.gz FXVLYJWUDKCNKV-HHHXNRCGSA-N 0 0 421.544 6.738 50 0 HKAARN CC(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021536356 568712143 /nfs/dbraw/zinc/71/21/43/568712143.db2.gz JFFFMOWGISTRBC-SANMLTNESA-N 0 0 413.565 6.158 50 0 HKAARN CC(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021536358 568712111 /nfs/dbraw/zinc/71/21/11/568712111.db2.gz JFFFMOWGISTRBC-AREMUKBSSA-N 0 0 413.565 6.158 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1C ZINC000021536381 568712045 /nfs/dbraw/zinc/71/20/45/568712045.db2.gz SVVZDGXKBGOPRH-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1C ZINC000021536383 568712021 /nfs/dbraw/zinc/71/20/21/568712021.db2.gz SVVZDGXKBGOPRH-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021536600 568712053 /nfs/dbraw/zinc/71/20/53/568712053.db2.gz YNWHZPMDJYZUGB-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000021536602 568712163 /nfs/dbraw/zinc/71/21/63/568712163.db2.gz YNWHZPMDJYZUGB-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021536625 568712168 /nfs/dbraw/zinc/71/21/68/568712168.db2.gz MWWUZPFQIILZGT-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021536628 568712152 /nfs/dbraw/zinc/71/21/52/568712152.db2.gz MWWUZPFQIILZGT-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1 ZINC000021536631 568712133 /nfs/dbraw/zinc/71/21/33/568712133.db2.gz WQHFMFBWTADKEE-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1 ZINC000021536633 568712183 /nfs/dbraw/zinc/71/21/83/568712183.db2.gz WQHFMFBWTADKEE-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000021536699 568712138 /nfs/dbraw/zinc/71/21/38/568712138.db2.gz VVAOENWQQWUMJM-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000021536701 568712120 /nfs/dbraw/zinc/71/21/20/568712120.db2.gz VVAOENWQQWUMJM-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000021536712 568712205 /nfs/dbraw/zinc/71/22/05/568712205.db2.gz PEFNCMKGEKXGSQ-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000021536714 568712097 /nfs/dbraw/zinc/71/20/97/568712097.db2.gz PEFNCMKGEKXGSQ-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1C ZINC000021536816 568712171 /nfs/dbraw/zinc/71/21/71/568712171.db2.gz XDRQMLMAXUOROD-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1C ZINC000021536818 568712202 /nfs/dbraw/zinc/71/22/02/568712202.db2.gz XDRQMLMAXUOROD-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1 ZINC000021536824 568712173 /nfs/dbraw/zinc/71/21/73/568712173.db2.gz RRGDVDULXNMXHZ-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1 ZINC000021536826 568712180 /nfs/dbraw/zinc/71/21/80/568712180.db2.gz RRGDVDULXNMXHZ-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021536838 568712116 /nfs/dbraw/zinc/71/21/16/568712116.db2.gz YQQDRKLBIIJEKJ-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021536840 568712031 /nfs/dbraw/zinc/71/20/31/568712031.db2.gz YQQDRKLBIIJEKJ-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1C ZINC000021538033 568712943 /nfs/dbraw/zinc/71/29/43/568712943.db2.gz XPKKOKNCFIGTSK-UHFFFAOYSA-N 0 0 413.521 5.931 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000021538041 568713012 /nfs/dbraw/zinc/71/30/12/568713012.db2.gz OXXMHLRAQFSXBS-UHFFFAOYSA-N 0 0 413.521 5.931 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000021538043 568713067 /nfs/dbraw/zinc/71/30/67/568713067.db2.gz XAYSKGLMPKGECP-UHFFFAOYSA-N 0 0 413.521 5.300 50 0 HKAARN O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538045 568713005 /nfs/dbraw/zinc/71/30/05/568713005.db2.gz FBTMSOLPWFAPMF-UHFFFAOYSA-N 0 0 413.521 5.034 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000021538047 568713033 /nfs/dbraw/zinc/71/30/33/568713033.db2.gz BJKXMCDHPYSJCI-UHFFFAOYSA-N 0 0 413.521 5.931 50 0 HKAARN O=C(NCc1ccccc1F)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538055 568712939 /nfs/dbraw/zinc/71/29/39/568712939.db2.gz ACAVNFGJGUCBOG-UHFFFAOYSA-N 0 0 417.484 5.131 50 0 HKAARN O=C(NCc1cccc(F)c1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538057 568713055 /nfs/dbraw/zinc/71/30/55/568713055.db2.gz YISFYZXWNDOZHR-UHFFFAOYSA-N 0 0 417.484 5.131 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538059 568712946 /nfs/dbraw/zinc/71/29/46/568712946.db2.gz UFZUSTHXWQEBCE-UHFFFAOYSA-N 0 0 413.521 5.334 50 0 HKAARN Fc1ccccc1[C@@H](Nc1ccc(Br)cc1)c1nnc(-c2ccccc2)o1 ZINC000021538398 568712974 /nfs/dbraw/zinc/71/29/74/568712974.db2.gz AOZFYAKLAOETDL-LJQANCHMSA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccccc1[C@H](Nc1ccc(Br)cc1)c1nnc(-c2ccccc2)o1 ZINC000021538400 568713063 /nfs/dbraw/zinc/71/30/63/568713063.db2.gz AOZFYAKLAOETDL-IBGZPJMESA-N 0 0 424.273 5.840 50 0 HKAARN CC(=O)Nc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000021538402 568713065 /nfs/dbraw/zinc/71/30/65/568713065.db2.gz AYWNPCSCWNGMBG-OAQYLSRUSA-N 0 0 402.429 5.036 50 0 HKAARN CC(=O)Nc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000021538403 568713031 /nfs/dbraw/zinc/71/30/31/568713031.db2.gz AYWNPCSCWNGMBG-NRFANRHFSA-N 0 0 402.429 5.036 50 0 HKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000021538454 568713051 /nfs/dbraw/zinc/71/30/51/568713051.db2.gz UJCKXMZMPCCORH-UHFFFAOYSA-N 0 0 408.504 5.728 50 0 HKAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(Cl)cc3C)c2n1 ZINC000021539973 568713268 /nfs/dbraw/zinc/71/32/68/568713268.db2.gz CTTGIGQRKCCAOS-UHFFFAOYSA-N 0 0 421.932 5.220 50 0 HKAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3cc(Cl)ccc3C)c2n1 ZINC000021539975 568713169 /nfs/dbraw/zinc/71/31/69/568713169.db2.gz BZVFFHCFAMMECX-UHFFFAOYSA-N 0 0 421.932 5.220 50 0 HKAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(C)c(Cl)c3)c2n1 ZINC000021540000 568713188 /nfs/dbraw/zinc/71/31/88/568713188.db2.gz XDIVPSGGGRPSHV-UHFFFAOYSA-N 0 0 421.932 5.220 50 0 HKAARN Cc1ccc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c(Cl)c1 ZINC000021540007 568713467 /nfs/dbraw/zinc/71/34/67/568713467.db2.gz AXENFDITYULUNO-UHFFFAOYSA-N 0 0 421.932 5.220 50 0 HKAARN CCc1cccc(C)c1NC(=O)CCCn1nc(-n2cccc2)c2c1nc(C)cc2C ZINC000021540020 568713495 /nfs/dbraw/zinc/71/34/95/568713495.db2.gz HRLHCESPTQGTSW-UHFFFAOYSA-N 0 0 415.541 5.129 50 0 HKAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(C(C)C)cc3)c2n1 ZINC000021540028 568713487 /nfs/dbraw/zinc/71/34/87/568713487.db2.gz FVRWUMHARDKVLI-UHFFFAOYSA-N 0 0 415.541 5.381 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccn1)N1c3ccccc3C=CC1=N2 ZINC000021540626 568713742 /nfs/dbraw/zinc/71/37/42/568713742.db2.gz IQTIKXOUVMZRMZ-DEOSSOPVSA-N 0 0 423.907 5.896 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccn1)N1c3ccccc3C=CC1=N2 ZINC000021540629 132472619 /nfs/dbraw/zinc/47/26/19/132472619.db2.gz IQTIKXOUVMZRMZ-XMMPIXPASA-N 0 0 423.907 5.896 50 0 HKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000021541049 568713768 /nfs/dbraw/zinc/71/37/68/568713768.db2.gz FFPNDDBQUOUYJI-UHFFFAOYSA-N 0 0 422.488 5.207 50 0 HKAARN CCOc1ccc(-c2nn(CC(=O)Nc3ccccc3)c3c2cnc2ccccc32)cc1 ZINC000021541051 568713733 /nfs/dbraw/zinc/71/37/33/568713733.db2.gz CPEXLOUKGMZHQG-UHFFFAOYSA-N 0 0 422.488 5.289 50 0 HKAARN COc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccc(C)cc4)c3c2c1 ZINC000021541053 568713775 /nfs/dbraw/zinc/71/37/75/568713775.db2.gz UIDNVBQGOPLPOC-UHFFFAOYSA-N 0 0 422.488 5.207 50 0 HKAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccccc4c32)cc1 ZINC000021541059 568713708 /nfs/dbraw/zinc/71/37/08/568713708.db2.gz IFSIBISUKVBCPZ-UHFFFAOYSA-N 0 0 422.488 5.207 50 0 HKAARN COc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccccc4c32)c1 ZINC000021541063 568713724 /nfs/dbraw/zinc/71/37/24/568713724.db2.gz ZXLRVWWXYYSHBQ-UHFFFAOYSA-N 0 0 422.488 5.207 50 0 HKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(C(F)(F)F)cc1 ZINC000021547810 568714019 /nfs/dbraw/zinc/71/40/19/568714019.db2.gz VWTWNQSKTMVKBN-UHFFFAOYSA-N 0 0 413.808 5.140 50 0 HKAARN O=C(CCSc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021548876 568713974 /nfs/dbraw/zinc/71/39/74/568713974.db2.gz PQCBGHRZSDRWIT-UHFFFAOYSA-N 0 0 416.590 5.103 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc2ccccc2nc1N1CCCCC1 ZINC000021554580 568713989 /nfs/dbraw/zinc/71/39/89/568713989.db2.gz CCPSZPYGIYNLSD-RCCKNPSSSA-N 0 0 417.896 5.223 50 0 HKAARN COc1cc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2cc1OC ZINC000021558887 558441675 /nfs/dbraw/zinc/44/16/75/558441675.db2.gz URLGZARWMJRIAP-UHFFFAOYSA-N 0 0 418.565 5.044 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000021574013 568719292 /nfs/dbraw/zinc/71/92/92/568719292.db2.gz RAFSUAMCKUIKLO-UHFFFAOYSA-N 0 0 409.533 5.627 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1Cl ZINC000021579122 558441946 /nfs/dbraw/zinc/44/19/46/558441946.db2.gz QAMDLBCXAKZDAF-UHFFFAOYSA-N 0 0 422.868 5.808 50 0 HKAARN CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2Sc2ccccc2)C1=O ZINC000021581247 568719877 /nfs/dbraw/zinc/71/98/77/568719877.db2.gz SUADIGOEMVNQSR-PTOVGEMASA-N 0 0 419.531 5.092 50 0 HKAARN Cc1ccc(N(Cc2ccco2)C(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000021587763 558442432 /nfs/dbraw/zinc/44/24/32/558442432.db2.gz 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/nfs/dbraw/zinc/74/45/17/568744517.db2.gz ASZMTLDQGIITCR-JOCHJYFZSA-N 0 0 415.518 5.256 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000021707164 558446384 /nfs/dbraw/zinc/44/63/84/558446384.db2.gz FJPIIHKKJYAZLQ-UHFFFAOYSA-N 0 0 406.869 5.511 50 0 HKAARN COc1ccc(SCC(=O)Nc2ccccc2SCc2ccsc2)cc1 ZINC000021707743 568467825 /nfs/dbraw/zinc/46/78/25/568467825.db2.gz FIRGUHSCKKUVJQ-UHFFFAOYSA-N 0 0 401.578 5.780 50 0 HKAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)ccc21 ZINC000021707908 558446477 /nfs/dbraw/zinc/44/64/77/558446477.db2.gz MXDWFGPTPLTLNG-UHFFFAOYSA-N 0 0 423.472 5.170 50 0 HKAARN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000021708529 568748219 /nfs/dbraw/zinc/74/82/19/568748219.db2.gz BUQBSFPAHBHUHG-UHFFFAOYSA-N 0 0 409.873 5.011 50 0 HKAARN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000021708538 568748202 /nfs/dbraw/zinc/74/82/02/568748202.db2.gz NOVQFPXMRQFGBP-UHFFFAOYSA-N 0 0 424.298 5.112 50 0 HKAARN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000021708543 568748217 /nfs/dbraw/zinc/74/82/17/568748217.db2.gz STVBFCKDPCSEGS-UHFFFAOYSA-N 0 0 424.298 5.112 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021708624 568748118 /nfs/dbraw/zinc/74/81/18/568748118.db2.gz DPRIUFRELATJJT-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021708627 568748105 /nfs/dbraw/zinc/74/81/05/568748105.db2.gz OGJXDTSWWMGKFH-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)c3ccccc3SC[C@@H]3CCCO3)ccc2c1 ZINC000021708958 558446402 /nfs/dbraw/zinc/44/64/02/558446402.db2.gz KYWCELALFYPECI-QFIPXVFZSA-N 0 0 421.562 5.392 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)c3ccccc3SC[C@H]3CCCO3)ccc2c1 ZINC000021708961 558446478 /nfs/dbraw/zinc/44/64/78/558446478.db2.gz KYWCELALFYPECI-JOCHJYFZSA-N 0 0 421.562 5.392 50 0 HKAARN O=C(Nc1ccccc1SCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000021709224 568748140 /nfs/dbraw/zinc/74/81/40/568748140.db2.gz MKSKERPZBQHJCY-UHFFFAOYSA-N 0 0 405.454 5.420 50 0 HKAARN COc1ccccc1C(=O)Nc1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000021709227 568748214 /nfs/dbraw/zinc/74/82/14/568748214.db2.gz LXTYPBCWNPQEEK-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN Cc1cccc(C(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)c1 ZINC000021709231 568748129 /nfs/dbraw/zinc/74/81/29/568748129.db2.gz XYPGUGJTSPBYCE-UHFFFAOYSA-N 0 0 401.491 5.590 50 0 HKAARN COc1ccc(C(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)cc1 ZINC000021709234 568748204 /nfs/dbraw/zinc/74/82/04/568748204.db2.gz UPVVTRGNZOBEJF-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN COc1cccc(C(=O)Nc2ccccc2SCc2nnc(-c3ccccc3)o2)c1 ZINC000021709246 568748167 /nfs/dbraw/zinc/74/81/67/568748167.db2.gz LXYMFPDZSMFHRS-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN O=C(Cc1cccc(F)c1)Nc1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000021709263 568748154 /nfs/dbraw/zinc/74/81/54/568748154.db2.gz RFCQMGIPHNGZCI-UHFFFAOYSA-N 0 0 419.481 5.349 50 0 HKAARN Cc1ccsc1C(=O)Nc1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000021709266 568748205 /nfs/dbraw/zinc/74/82/05/568748205.db2.gz KLOQZRGCFHLEHW-UHFFFAOYSA-N 0 0 407.520 5.651 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711479 568748371 /nfs/dbraw/zinc/74/83/71/568748371.db2.gz OYXHGLUYNPWWCM-UHFFFAOYSA-N 0 0 419.506 5.328 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711505 568748353 /nfs/dbraw/zinc/74/83/53/568748353.db2.gz BBRZQKQSXCWLAG-UHFFFAOYSA-N 0 0 420.856 5.710 50 0 HKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(Cl)c1 ZINC000021711510 568748392 /nfs/dbraw/zinc/74/83/92/568748392.db2.gz NLALROROEVSZNE-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711513 568748331 /nfs/dbraw/zinc/74/83/31/568748331.db2.gz BAUMMXLLMBPIAI-UHFFFAOYSA-N 0 0 400.438 5.446 50 0 HKAARN O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccccc1C(F)(F)F ZINC000021711516 568748328 /nfs/dbraw/zinc/74/83/28/568748328.db2.gz VXIYTKDUHDSIIW-UHFFFAOYSA-N 0 0 424.382 6.066 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711535 568748343 /nfs/dbraw/zinc/74/83/43/568748343.db2.gz SDTHMUAAUORLLG-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN CCOc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711544 568748387 /nfs/dbraw/zinc/74/83/87/568748387.db2.gz VCMWPSCRBRNUKV-UHFFFAOYSA-N 0 0 400.438 5.446 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711547 568748290 /nfs/dbraw/zinc/74/82/90/568748290.db2.gz IGTWKQUNLKXHGU-UHFFFAOYSA-N 0 0 404.857 6.009 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(OC)c1 ZINC000021711566 568748312 /nfs/dbraw/zinc/74/83/12/568748312.db2.gz CPIJTYKWBDTZSR-UHFFFAOYSA-N 0 0 416.437 5.065 50 0 HKAARN COc1cc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc(OC)c1 ZINC000021711569 568748302 /nfs/dbraw/zinc/74/83/02/568748302.db2.gz OTKSZHFUTKDWJT-UHFFFAOYSA-N 0 0 416.437 5.065 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711581 568748335 /nfs/dbraw/zinc/74/83/35/568748335.db2.gz VSWXDUPTRTZCBM-UHFFFAOYSA-N 0 0 400.438 5.365 50 0 HKAARN CSc1cccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000021711608 568748310 /nfs/dbraw/zinc/74/83/10/568748310.db2.gz JGGIBRPPZZTVQU-UHFFFAOYSA-N 0 0 402.479 5.770 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711617 568748287 /nfs/dbraw/zinc/74/82/87/568748287.db2.gz PQRPFXCPLWAXDS-UHFFFAOYSA-N 0 0 404.401 5.195 50 0 HKAARN CCOc1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711624 568748321 /nfs/dbraw/zinc/74/83/21/568748321.db2.gz WIWJTTKFTDATIF-UHFFFAOYSA-N 0 0 418.428 5.585 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1F ZINC000021711630 568748512 /nfs/dbraw/zinc/74/85/12/568748512.db2.gz ZBSNMPZEPUPLJD-UHFFFAOYSA-N 0 0 406.392 5.634 50 0 HKAARN O=C(Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1)Nc1ccc(F)cc1F ZINC000021711639 568748552 /nfs/dbraw/zinc/74/85/52/568748552.db2.gz AWLKMDFNCLTFBH-UHFFFAOYSA-N 0 0 410.355 5.465 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000021713341 568748476 /nfs/dbraw/zinc/74/84/76/568748476.db2.gz NDIROCSTPXVBNH-INIZCTEOSA-N 0 0 403.507 5.216 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000021713343 568748499 /nfs/dbraw/zinc/74/84/99/568748499.db2.gz NDIROCSTPXVBNH-MRXNPFEDSA-N 0 0 403.507 5.216 50 0 HKAARN CSc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1 ZINC000021713349 568748480 /nfs/dbraw/zinc/74/84/80/568748480.db2.gz JZTSBCXTKRWXEJ-UHFFFAOYSA-N 0 0 407.520 5.117 50 0 HKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021715431 568749505 /nfs/dbraw/zinc/74/95/05/568749505.db2.gz PSXRJBLERRODMU-DEOSSOPVSA-N 0 0 400.453 5.104 50 0 HKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021715432 568749515 /nfs/dbraw/zinc/74/95/15/568749515.db2.gz PSXRJBLERRODMU-XMMPIXPASA-N 0 0 400.453 5.104 50 0 HKAARN CN(C)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021715434 568749491 /nfs/dbraw/zinc/74/94/91/568749491.db2.gz IKAXWMJHGZNNRS-VWLOTQADSA-N 0 0 413.496 5.161 50 0 HKAARN CN(C)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021715435 568749714 /nfs/dbraw/zinc/74/97/14/568749714.db2.gz IKAXWMJHGZNNRS-RUZDIDTESA-N 0 0 413.496 5.161 50 0 HKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021715463 568749664 /nfs/dbraw/zinc/74/96/64/568749664.db2.gz ZMAUULMWKPZNLE-DEOSSOPVSA-N 0 0 400.453 5.104 50 0 HKAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000021715465 568749699 /nfs/dbraw/zinc/74/96/99/568749699.db2.gz ZMAUULMWKPZNLE-XMMPIXPASA-N 0 0 400.453 5.104 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)cc1 ZINC000021715603 568749717 /nfs/dbraw/zinc/74/97/17/568749717.db2.gz HTFWUJSHOBBGHQ-QFIPXVFZSA-N 0 0 404.560 5.739 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)cc1 ZINC000021715605 568749576 /nfs/dbraw/zinc/74/95/76/568749576.db2.gz HTFWUJSHOBBGHQ-JOCHJYFZSA-N 0 0 404.560 5.739 50 0 HKAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1 ZINC000021715613 568749678 /nfs/dbraw/zinc/74/96/78/568749678.db2.gz LUHRDKHWWHUJFM-DEOSSOPVSA-N 0 0 418.587 5.668 50 0 HKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1 ZINC000021715615 568749669 /nfs/dbraw/zinc/74/96/69/568749669.db2.gz LUHRDKHWWHUJFM-XMMPIXPASA-N 0 0 418.587 5.668 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)c1 ZINC000021715729 568749767 /nfs/dbraw/zinc/74/97/67/568749767.db2.gz UCQBDVNDFJFKOK-QHCPKHFHSA-N 0 0 402.519 5.416 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)c1 ZINC000021715731 568749838 /nfs/dbraw/zinc/74/98/38/568749838.db2.gz UCQBDVNDFJFKOK-HSZRJFAPSA-N 0 0 402.519 5.416 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)c1 ZINC000021715742 568749877 /nfs/dbraw/zinc/74/98/77/568749877.db2.gz GJVJJQSYFBZIEL-VWLOTQADSA-N 0 0 416.546 5.345 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)c1 ZINC000021715744 568749850 /nfs/dbraw/zinc/74/98/50/568749850.db2.gz GJVJJQSYFBZIEL-RUZDIDTESA-N 0 0 416.546 5.345 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)c1 ZINC000021715749 568749859 /nfs/dbraw/zinc/74/98/59/568749859.db2.gz MRNCOSRKMLZQQK-VWLOTQADSA-N 0 0 414.480 5.494 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)c1 ZINC000021715751 568749846 /nfs/dbraw/zinc/74/98/46/568749846.db2.gz MRNCOSRKMLZQQK-RUZDIDTESA-N 0 0 414.480 5.494 50 0 HKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)c1 ZINC000021715760 568749875 /nfs/dbraw/zinc/74/98/75/568749875.db2.gz OUIABVROHUFJIM-VWLOTQADSA-N 0 0 414.480 5.494 50 0 HKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)c1 ZINC000021715762 568749826 /nfs/dbraw/zinc/74/98/26/568749826.db2.gz OUIABVROHUFJIM-RUZDIDTESA-N 0 0 414.480 5.494 50 0 HKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000021715768 568749844 /nfs/dbraw/zinc/74/98/44/568749844.db2.gz HRQDKMQLJWYKHV-DEOSSOPVSA-N 0 0 416.908 5.618 50 0 HKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000021715770 568749870 /nfs/dbraw/zinc/74/98/70/568749870.db2.gz HRQDKMQLJWYKHV-XMMPIXPASA-N 0 0 416.908 5.618 50 0 HKAARN COc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000021715789 568749843 /nfs/dbraw/zinc/74/98/43/568749843.db2.gz NULOHTWZCRYZGD-DEOSSOPVSA-N 0 0 416.908 5.618 50 0 HKAARN COc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715791 568749821 /nfs/dbraw/zinc/74/98/21/568749821.db2.gz NULOHTWZCRYZGD-XMMPIXPASA-N 0 0 416.908 5.618 50 0 HKAARN O=C(Cc1cccs1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000021715796 568749795 /nfs/dbraw/zinc/74/97/95/568749795.db2.gz VTRGNPFXGXCFDD-QHCPKHFHSA-N 0 0 406.938 5.600 50 0 HKAARN O=C(Cc1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715798 568749763 /nfs/dbraw/zinc/74/97/63/568749763.db2.gz VTRGNPFXGXCFDD-HSZRJFAPSA-N 0 0 406.938 5.600 50 0 HKAARN O=C(COc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000021715803 568749819 /nfs/dbraw/zinc/74/98/19/568749819.db2.gz GJYDUNBEONZAQG-VWLOTQADSA-N 0 0 416.908 5.374 50 0 HKAARN O=C(COc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715805 568749857 /nfs/dbraw/zinc/74/98/57/568749857.db2.gz GJYDUNBEONZAQG-RUZDIDTESA-N 0 0 416.908 5.374 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1 ZINC000021715828 568749836 /nfs/dbraw/zinc/74/98/36/568749836.db2.gz ABVYSITYKXCZJK-VWLOTQADSA-N 0 0 416.546 5.345 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1 ZINC000021715830 568749832 /nfs/dbraw/zinc/74/98/32/568749832.db2.gz ABVYSITYKXCZJK-RUZDIDTESA-N 0 0 416.546 5.345 50 0 HKAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000021715839 568749803 /nfs/dbraw/zinc/74/98/03/568749803.db2.gz PLJOIUOMCNCVIN-VWLOTQADSA-N 0 0 414.480 5.494 50 0 HKAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000021715841 568749874 /nfs/dbraw/zinc/74/98/74/568749874.db2.gz PLJOIUOMCNCVIN-RUZDIDTESA-N 0 0 414.480 5.494 50 0 HKAARN CCc1nc2c3ccccc3oc2c(O[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)n1 ZINC000021718327 568750462 /nfs/dbraw/zinc/75/04/62/568750462.db2.gz LDAPNNWFLVAFNH-LJQANCHMSA-N 0 0 404.466 5.628 50 0 HKAARN CCc1nc2c3ccccc3oc2c(O[C@H]2CC(C)(C)Oc3ccc(OC)cc32)n1 ZINC000021718330 568750456 /nfs/dbraw/zinc/75/04/56/568750456.db2.gz LDAPNNWFLVAFNH-IBGZPJMESA-N 0 0 404.466 5.628 50 0 HKAARN COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719848 558446687 /nfs/dbraw/zinc/44/66/87/558446687.db2.gz SNHKMHQVBFWGLF-GOSISDBHSA-N 0 0 412.452 5.223 50 0 HKAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1COCC(F)(F)F ZINC000021719851 558446733 /nfs/dbraw/zinc/44/67/33/558446733.db2.gz SNHKMHQVBFWGLF-SFHVURJKSA-N 0 0 412.452 5.223 50 0 HKAARN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719975 558446756 /nfs/dbraw/zinc/44/67/56/558446756.db2.gz KNZGOZOIVMCEIY-SFHVURJKSA-N 0 0 415.335 5.288 50 0 HKAARN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccc(Br)c2)no1 ZINC000021719977 558446700 /nfs/dbraw/zinc/44/67/00/558446700.db2.gz KNZGOZOIVMCEIY-GOSISDBHSA-N 0 0 415.335 5.288 50 0 HKAARN Cc1cccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1C ZINC000021721343 568750670 /nfs/dbraw/zinc/75/06/70/568750670.db2.gz QVCOYRDZMQQOMY-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1 ZINC000021721353 568750668 /nfs/dbraw/zinc/75/06/68/568750668.db2.gz WENFERSZUUXWLQ-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1 ZINC000021721366 568750618 /nfs/dbraw/zinc/75/06/18/568750618.db2.gz IEQBQXFYJJCCMB-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c(C)c1 ZINC000021721584 568750773 /nfs/dbraw/zinc/75/07/73/568750773.db2.gz XQTKVBFKWFCQRG-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)cc1C ZINC000021721798 558446952 /nfs/dbraw/zinc/44/69/52/558446952.db2.gz LLPZPKLMMUBUED-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)no2)cc1 ZINC000021724129 568751022 /nfs/dbraw/zinc/75/10/22/568751022.db2.gz XMFKJQNPWZWPJB-UHFFFAOYSA-N 0 0 418.541 5.019 50 0 HKAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724514 568751339 /nfs/dbraw/zinc/75/13/39/568751339.db2.gz GEXZJPBBLQHQDS-OAQYLSRUSA-N 0 0 418.541 5.019 50 0 HKAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)no2)cc1 ZINC000021724518 568751219 /nfs/dbraw/zinc/75/12/19/568751219.db2.gz GEXZJPBBLQHQDS-NRFANRHFSA-N 0 0 418.541 5.019 50 0 HKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725260 568751616 /nfs/dbraw/zinc/75/16/16/568751616.db2.gz RPFYYDHMDZGLPK-INIZCTEOSA-N 0 0 418.522 5.135 50 0 HKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725264 568751557 /nfs/dbraw/zinc/75/15/57/568751557.db2.gz RPFYYDHMDZGLPK-MRXNPFEDSA-N 0 0 418.522 5.135 50 0 HKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000021725400 568751460 /nfs/dbraw/zinc/75/14/60/568751460.db2.gz NVYASHYPHIFGKH-KRWDZBQOSA-N 0 0 418.522 5.135 50 0 HKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000021725404 568751526 /nfs/dbraw/zinc/75/15/26/568751526.db2.gz NVYASHYPHIFGKH-QGZVFWFLSA-N 0 0 418.522 5.135 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021725994 558943413 /nfs/dbraw/zinc/94/34/13/558943413.db2.gz YYVNICXJFXSRFD-KRWDZBQOSA-N 0 0 418.522 5.053 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021725998 558943285 /nfs/dbraw/zinc/94/32/85/558943285.db2.gz YYVNICXJFXSRFD-QGZVFWFLSA-N 0 0 418.522 5.053 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021728278 568751968 /nfs/dbraw/zinc/75/19/68/568751968.db2.gz VODORCYGSJHERR-UHFFFAOYSA-N 0 0 417.490 5.290 50 0 HKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000021728287 568751936 /nfs/dbraw/zinc/75/19/36/568751936.db2.gz FCFUUHREBDFGEG-UHFFFAOYSA-N 0 0 421.909 5.935 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC ZINC000021728318 568751914 /nfs/dbraw/zinc/75/19/14/568751914.db2.gz SIUZSKRQJBOMFF-UHFFFAOYSA-N 0 0 416.437 5.065 50 0 HKAARN O=C(Cn1cc(SCc2cccc3ccccc32)c2ccccc21)N1CCCCC1 ZINC000021728321 568751946 /nfs/dbraw/zinc/75/19/46/568751946.db2.gz BKGQNAMRRUTLEJ-UHFFFAOYSA-N 0 0 414.574 6.099 50 0 HKAARN CC(=O)[C@]12CCCC[C@H]1C[C@@H]1[C@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000021728660 558778669 /nfs/dbraw/zinc/77/86/69/558778669.db2.gz YYJQALYDDZZWSF-FNUULIOBSA-N 0 0 400.603 5.335 50 0 HKAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000021728791 558447182 /nfs/dbraw/zinc/44/71/82/558447182.db2.gz VZURNXPZFGETJQ-NRFANRHFSA-N 0 0 411.530 5.735 50 0 HKAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000021728794 558447203 /nfs/dbraw/zinc/44/72/03/558447203.db2.gz VZURNXPZFGETJQ-OAQYLSRUSA-N 0 0 411.530 5.735 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000021728841 558447133 /nfs/dbraw/zinc/44/71/33/558447133.db2.gz IWJCMDKXWROUJJ-NRFANRHFSA-N 0 0 409.489 5.330 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000021728845 558447118 /nfs/dbraw/zinc/44/71/18/558447118.db2.gz IWJCMDKXWROUJJ-OAQYLSRUSA-N 0 0 409.489 5.330 50 0 HKAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000021728849 558447148 /nfs/dbraw/zinc/44/71/48/558447148.db2.gz WXZSPMRUXTVFJL-QFIPXVFZSA-N 0 0 423.516 5.721 50 0 HKAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000021728850 558447185 /nfs/dbraw/zinc/44/71/85/558447185.db2.gz WXZSPMRUXTVFJL-JOCHJYFZSA-N 0 0 423.516 5.721 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000021728881 558447152 /nfs/dbraw/zinc/44/71/52/558447152.db2.gz RYBKIERRFCKZGT-QFIPXVFZSA-N 0 0 409.489 5.330 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000021728884 558447104 /nfs/dbraw/zinc/44/71/04/558447104.db2.gz RYBKIERRFCKZGT-JOCHJYFZSA-N 0 0 409.489 5.330 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 ZINC000021728886 558447200 /nfs/dbraw/zinc/44/72/00/558447200.db2.gz LTJNRWYWEXIYCG-QFIPXVFZSA-N 0 0 409.489 5.330 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 ZINC000021728890 558447136 /nfs/dbraw/zinc/44/71/36/558447136.db2.gz LTJNRWYWEXIYCG-JOCHJYFZSA-N 0 0 409.489 5.330 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 ZINC000021728893 558447193 /nfs/dbraw/zinc/44/71/93/558447193.db2.gz GEVOMZFATWFOJS-QHCPKHFHSA-N 0 0 423.516 5.721 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 ZINC000021728896 558447179 /nfs/dbraw/zinc/44/71/79/558447179.db2.gz GEVOMZFATWFOJS-HSZRJFAPSA-N 0 0 423.516 5.721 50 0 HKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000021728914 558447171 /nfs/dbraw/zinc/44/71/71/558447171.db2.gz YCTYAIIYZGKFTM-HXUWFJFHSA-N 0 0 423.472 5.051 50 0 HKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000021728918 558447145 /nfs/dbraw/zinc/44/71/45/558447145.db2.gz YCTYAIIYZGKFTM-FQEVSTJZSA-N 0 0 423.472 5.051 50 0 HKAARN Cc1cccc(-c2csc(-c3nc(-c4cccc(Cl)c4)no3)c2-n2cccc2)c1 ZINC000021730589 568751859 /nfs/dbraw/zinc/75/18/59/568751859.db2.gz CWHTUTNKZMZFCC-UHFFFAOYSA-N 0 0 417.921 6.885 50 0 HKAARN Cc1cccc(-c2csc(-c3nc(-c4cccc(F)c4)no3)c2-n2cccc2)c1 ZINC000021730606 568751919 /nfs/dbraw/zinc/75/19/19/568751919.db2.gz SYCPGLYCAUABCS-UHFFFAOYSA-N 0 0 401.466 6.370 50 0 HKAARN Cc1ccccc1Cc1c(C)nc2c(-c3nc(-c4ccccc4C)no3)cnn2c1C ZINC000021730830 568751833 /nfs/dbraw/zinc/75/18/33/568751833.db2.gz HHBAGLPNAKKPFF-UHFFFAOYSA-N 0 0 409.493 5.271 50 0 HKAARN Cc1ccc(-c2noc(-c3cnn4c3nc(C)c(Cc3ccccc3C)c4C)n2)cc1 ZINC000021730834 568752043 /nfs/dbraw/zinc/75/20/43/568752043.db2.gz CRPVZKQBQAEZIW-UHFFFAOYSA-N 0 0 409.493 5.271 50 0 HKAARN Fc1ccc(CNc2nnc(SCc3cc(Cl)c4c(c3)OCCO4)s2)cc1 ZINC000021731682 568752165 /nfs/dbraw/zinc/75/21/65/568752165.db2.gz NRXZUEUXDZXMFL-UHFFFAOYSA-N 0 0 423.922 5.006 50 0 HKAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000021738262 568467985 /nfs/dbraw/zinc/46/79/85/568467985.db2.gz IPEYQCZXLOIJND-NSHDSACASA-N 0 0 420.947 5.063 50 0 HKAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000021738265 568752035 /nfs/dbraw/zinc/75/20/35/568752035.db2.gz IPEYQCZXLOIJND-LLVKDONJSA-N 0 0 420.947 5.063 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1nc(-c2ccsc2)no1 ZINC000021741470 558447640 /nfs/dbraw/zinc/44/76/40/558447640.db2.gz HDWCZSITHNVZLD-UHFFFAOYSA-N 0 0 417.899 5.240 50 0 HKAARN Fc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)n1Cc1ccccc1 ZINC000021750636 558447580 /nfs/dbraw/zinc/44/75/80/558447580.db2.gz PXZFKCGSBSGXNF-UHFFFAOYSA-N 0 0 410.905 5.473 50 0 HKAARN COc1ccc(NC2=C[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000021775448 568752324 /nfs/dbraw/zinc/75/23/24/568752324.db2.gz OEKDYECETQFWRX-DEOSSOPVSA-N 0 0 400.478 5.096 50 0 HKAARN COc1ccc(NC2=C[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000021775453 568752316 /nfs/dbraw/zinc/75/23/16/568752316.db2.gz OEKDYECETQFWRX-XMMPIXPASA-N 0 0 400.478 5.096 50 0 HKAARN COc1ccc(OC)c(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000021775491 568752330 /nfs/dbraw/zinc/75/23/30/568752330.db2.gz RQFCKNQZHKZZJI-LJQANCHMSA-N 0 0 413.930 5.478 50 0 HKAARN COc1ccc(OC)c(C2=NN(c3nc(C)cs3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000021775494 568752313 /nfs/dbraw/zinc/75/23/13/568752313.db2.gz RQFCKNQZHKZZJI-IBGZPJMESA-N 0 0 413.930 5.478 50 0 HKAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c3ccccc3c(Br)cc21 ZINC000021776863 558448158 /nfs/dbraw/zinc/44/81/58/558448158.db2.gz MWDTXPDOUGFPLW-KRWDZBQOSA-N 0 0 410.311 5.865 50 0 HKAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c3ccccc3c(Br)cc21 ZINC000021776868 558448110 /nfs/dbraw/zinc/44/81/10/558448110.db2.gz MWDTXPDOUGFPLW-QGZVFWFLSA-N 0 0 410.311 5.865 50 0 HKAARN Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1NC(=O)c1ccc(F)cc1 ZINC000021777066 568752359 /nfs/dbraw/zinc/75/23/59/568752359.db2.gz MMQKANUQXMTWLI-UHFFFAOYSA-N 0 0 413.456 5.664 50 0 HKAARN Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000021777075 568752358 /nfs/dbraw/zinc/75/23/58/568752358.db2.gz FWMOJGKUCMHVPV-UHFFFAOYSA-N 0 0 413.456 5.664 50 0 HKAARN Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1NC(=O)c1cccs1 ZINC000021777132 568752237 /nfs/dbraw/zinc/75/22/37/568752237.db2.gz MVYPWFQXIAPUIN-UHFFFAOYSA-N 0 0 401.495 5.586 50 0 HKAARN Brc1ccc([C@@H](NCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021777234 568752350 /nfs/dbraw/zinc/75/23/50/568752350.db2.gz ZKAYHQBHFGPVOE-HXUWFJFHSA-N 0 0 420.310 5.378 50 0 HKAARN Brc1ccc([C@H](NCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021777239 568752250 /nfs/dbraw/zinc/75/22/50/568752250.db2.gz ZKAYHQBHFGPVOE-FQEVSTJZSA-N 0 0 420.310 5.378 50 0 HKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021779576 568752531 /nfs/dbraw/zinc/75/25/31/568752531.db2.gz HLSKEJUOOMVUBW-DEOSSOPVSA-N 0 0 412.493 5.141 50 0 HKAARN CCOc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021779579 568752452 /nfs/dbraw/zinc/75/24/52/568752452.db2.gz HLSKEJUOOMVUBW-XMMPIXPASA-N 0 0 412.493 5.141 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccnc2)cc1 ZINC000021779726 568752524 /nfs/dbraw/zinc/75/25/24/568752524.db2.gz INLWWXSHWTVOAU-DEOSSOPVSA-N 0 0 412.493 5.141 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccnc2)cc1 ZINC000021779730 568752512 /nfs/dbraw/zinc/75/25/12/568752512.db2.gz INLWWXSHWTVOAU-XMMPIXPASA-N 0 0 412.493 5.141 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021779750 568752477 /nfs/dbraw/zinc/75/24/77/568752477.db2.gz SEVPPBJIEGIVTA-QHCPKHFHSA-N 0 0 416.912 5.704 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021779753 568752457 /nfs/dbraw/zinc/75/24/57/568752457.db2.gz SEVPPBJIEGIVTA-HSZRJFAPSA-N 0 0 416.912 5.704 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021779757 568752501 /nfs/dbraw/zinc/75/25/01/568752501.db2.gz OCYXDHQVUCUQMX-QFIPXVFZSA-N 0 0 402.885 5.396 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021779759 568752475 /nfs/dbraw/zinc/75/24/75/568752475.db2.gz OCYXDHQVUCUQMX-JOCHJYFZSA-N 0 0 402.885 5.396 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021779772 568752492 /nfs/dbraw/zinc/75/24/92/568752492.db2.gz CUFMIJPKJGCQGJ-QFIPXVFZSA-N 0 0 420.875 5.535 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021779776 568752441 /nfs/dbraw/zinc/75/24/41/568752441.db2.gz CUFMIJPKJGCQGJ-JOCHJYFZSA-N 0 0 420.875 5.535 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccnc2)cc1Cl ZINC000021779780 568752532 /nfs/dbraw/zinc/75/25/32/568752532.db2.gz YQYNIDKUYCXLPU-QHCPKHFHSA-N 0 0 416.912 5.704 50 0 HKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccnc2)cc1Cl ZINC000021779784 568752470 /nfs/dbraw/zinc/75/24/70/568752470.db2.gz YQYNIDKUYCXLPU-HSZRJFAPSA-N 0 0 416.912 5.704 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021779788 568752499 /nfs/dbraw/zinc/75/24/99/568752499.db2.gz XDBDBTSEQHORNS-QFIPXVFZSA-N 0 0 402.885 5.396 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000021779792 568752514 /nfs/dbraw/zinc/75/25/14/568752514.db2.gz XDBDBTSEQHORNS-JOCHJYFZSA-N 0 0 402.885 5.396 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1F)[C@@H]3c1ccc(F)cc1 ZINC000021779867 568752529 /nfs/dbraw/zinc/75/25/29/568752529.db2.gz BRMPNUKIGMXAHG-XMMPIXPASA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1F)[C@H]3c1ccc(F)cc1 ZINC000021779871 568752526 /nfs/dbraw/zinc/75/25/26/568752526.db2.gz BRMPNUKIGMXAHG-DEOSSOPVSA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)cc1)[C@@H]3c1ccc(F)cc1 ZINC000021779883 568752446 /nfs/dbraw/zinc/75/24/46/568752446.db2.gz SJEMRTUSXNRDCL-RUZDIDTESA-N 0 0 414.480 5.412 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C)cc1)[C@H]3c1ccc(F)cc1 ZINC000021779887 568752520 /nfs/dbraw/zinc/75/25/20/568752520.db2.gz SJEMRTUSXNRDCL-VWLOTQADSA-N 0 0 414.480 5.412 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Cc1cccs1)[C@@H]3c1ccc(F)cc1 ZINC000021779907 568752461 /nfs/dbraw/zinc/75/24/61/568752461.db2.gz PFVGSBVOCILVCZ-XMMPIXPASA-N 0 0 420.509 5.094 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Cc1cccs1)[C@H]3c1ccc(F)cc1 ZINC000021779911 568752516 /nfs/dbraw/zinc/75/25/16/568752516.db2.gz PFVGSBVOCILVCZ-DEOSSOPVSA-N 0 0 420.509 5.094 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(F)cc1)[C@@H]3c1ccc(F)cc1 ZINC000021779923 568752518 /nfs/dbraw/zinc/75/25/18/568752518.db2.gz BOBIRAJYTLHQSP-XMMPIXPASA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(F)cc1)[C@H]3c1ccc(F)cc1 ZINC000021779925 568752510 /nfs/dbraw/zinc/75/25/10/568752510.db2.gz BOBIRAJYTLHQSP-DEOSSOPVSA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@@H]3c1ccc(F)cc1 ZINC000021779929 568752502 /nfs/dbraw/zinc/75/25/02/568752502.db2.gz SSTGFMSJZMSIMW-XMMPIXPASA-N 0 0 400.453 5.104 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@H]3c1ccc(F)cc1 ZINC000021779933 568752484 /nfs/dbraw/zinc/75/24/84/568752484.db2.gz SSTGFMSJZMSIMW-DEOSSOPVSA-N 0 0 400.453 5.104 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(F)c1)[C@@H]3c1ccc(F)cc1 ZINC000021779936 568752490 /nfs/dbraw/zinc/75/24/90/568752490.db2.gz XLKKFTQWVWLGHF-XMMPIXPASA-N 0 0 418.443 5.243 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cccc(F)c1)[C@H]3c1ccc(F)cc1 ZINC000021779940 568752467 /nfs/dbraw/zinc/75/24/67/568752467.db2.gz XLKKFTQWVWLGHF-DEOSSOPVSA-N 0 0 418.443 5.243 50 0 HKAARN O=C(CCC1CCCC1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000021780508 568752680 /nfs/dbraw/zinc/75/26/80/568752680.db2.gz NZDQKFWAPVPTBR-UHFFFAOYSA-N 0 0 424.976 5.150 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000021781490 568752685 /nfs/dbraw/zinc/75/26/85/568752685.db2.gz WYYSELOFBWMOMB-GOSISDBHSA-N 0 0 404.510 5.410 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000021781493 568752677 /nfs/dbraw/zinc/75/26/77/568752677.db2.gz WYYSELOFBWMOMB-SFHVURJKSA-N 0 0 404.510 5.410 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000021783599 558949143 /nfs/dbraw/zinc/94/91/43/558949143.db2.gz BRDORNIEFNXTFN-NRFANRHFSA-N 0 0 409.917 5.079 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000021783603 558949115 /nfs/dbraw/zinc/94/91/15/558949115.db2.gz BRDORNIEFNXTFN-OAQYLSRUSA-N 0 0 409.917 5.079 50 0 HKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000021785458 558448497 /nfs/dbraw/zinc/44/84/97/558448497.db2.gz GFHGOWWLDPGDBD-UHFFFAOYSA-N 0 0 421.927 5.243 50 0 HKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccccc1C(C)C ZINC000021785470 558448494 /nfs/dbraw/zinc/44/84/94/558448494.db2.gz SWBAWPCDRJQGJP-UHFFFAOYSA-N 0 0 415.536 5.404 50 0 HKAARN CCOc1cc(-c2ccc(OC(=O)c3ccccc3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021785510 558950154 /nfs/dbraw/zinc/95/01/54/558950154.db2.gz PLKHQSZVOZJICM-UHFFFAOYSA-N 0 0 414.457 5.695 50 0 HKAARN CCOc1cc(-c2ccc(OC(=O)c3ccco3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021785516 558950136 /nfs/dbraw/zinc/95/01/36/558950136.db2.gz CAGZOPKBWISCSC-UHFFFAOYSA-N 0 0 404.418 5.288 50 0 HKAARN CCOc1cc(-c2ccc(OC(=O)c3cccs3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021785518 558950198 /nfs/dbraw/zinc/95/01/98/558950198.db2.gz XYVWXCAOOXBBBZ-UHFFFAOYSA-N 0 0 420.486 5.756 50 0 HKAARN COc1cc(-c2ccc(OCC(=O)c3ccccc3)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021785521 558950144 /nfs/dbraw/zinc/95/01/44/558950144.db2.gz MGXSDIQCHVBSTD-UHFFFAOYSA-N 0 0 414.457 5.347 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1C ZINC000021786980 558950354 /nfs/dbraw/zinc/95/03/54/558950354.db2.gz KIOWSCOMUYWCBI-JOCHJYFZSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1C ZINC000021786986 558950349 /nfs/dbraw/zinc/95/03/49/558950349.db2.gz KIOWSCOMUYWCBI-QFIPXVFZSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000021786991 558950410 /nfs/dbraw/zinc/95/04/10/558950410.db2.gz YINFPQZPXNAILG-HSZRJFAPSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000021786995 558950366 /nfs/dbraw/zinc/95/03/66/558950366.db2.gz YINFPQZPXNAILG-QHCPKHFHSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000021786999 558950372 /nfs/dbraw/zinc/95/03/72/558950372.db2.gz RABPWWDPPWZGTK-HSZRJFAPSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000021787003 558950320 /nfs/dbraw/zinc/95/03/20/558950320.db2.gz RABPWWDPPWZGTK-QHCPKHFHSA-N 0 0 405.542 5.277 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000021787231 558950313 /nfs/dbraw/zinc/95/03/13/558950313.db2.gz TWWQHMSSCUDVNC-JOCHJYFZSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000021787235 558950334 /nfs/dbraw/zinc/95/03/34/558950334.db2.gz TWWQHMSSCUDVNC-QFIPXVFZSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000021787239 558448680 /nfs/dbraw/zinc/44/86/80/558448680.db2.gz LPIQTVQQBCOQHC-JOCHJYFZSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000021787243 558448607 /nfs/dbraw/zinc/44/86/07/558448607.db2.gz LPIQTVQQBCOQHC-QFIPXVFZSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000021787267 558950338 /nfs/dbraw/zinc/95/03/38/558950338.db2.gz JWSMRDKKKHBTBO-HSZRJFAPSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000021787271 558950423 /nfs/dbraw/zinc/95/04/23/558950423.db2.gz JWSMRDKKKHBTBO-QHCPKHFHSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000021787275 558950414 /nfs/dbraw/zinc/95/04/14/558950414.db2.gz DCDBAEDFZSEXJT-HSZRJFAPSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000021787281 558950419 /nfs/dbraw/zinc/95/04/19/558950419.db2.gz DCDBAEDFZSEXJT-QHCPKHFHSA-N 0 0 405.542 5.196 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000021787297 558950570 /nfs/dbraw/zinc/95/05/70/558950570.db2.gz LPHGDNRJZRQGJG-OAQYLSRUSA-N 0 0 411.933 5.232 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000021787302 558950564 /nfs/dbraw/zinc/95/05/64/558950564.db2.gz LPHGDNRJZRQGJG-NRFANRHFSA-N 0 0 411.933 5.232 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(CC)cc1 ZINC000021787316 558950546 /nfs/dbraw/zinc/95/05/46/558950546.db2.gz IPLZWXAXISXWFM-HSZRJFAPSA-N 0 0 405.542 5.141 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(CC)cc1 ZINC000021787320 558950552 /nfs/dbraw/zinc/95/05/52/558950552.db2.gz IPLZWXAXISXWFM-QHCPKHFHSA-N 0 0 405.542 5.141 50 0 HKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000021787324 558950581 /nfs/dbraw/zinc/95/05/81/558950581.db2.gz IFDTUACNZOQMJB-HXUWFJFHSA-N 0 0 411.933 5.232 50 0 HKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000021787328 558950554 /nfs/dbraw/zinc/95/05/54/558950554.db2.gz IFDTUACNZOQMJB-FQEVSTJZSA-N 0 0 411.933 5.232 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C ZINC000021787430 558448718 /nfs/dbraw/zinc/44/87/18/558448718.db2.gz MEELYMCDBOKAOW-HSZRJFAPSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C ZINC000021787435 558448575 /nfs/dbraw/zinc/44/85/75/558448575.db2.gz MEELYMCDBOKAOW-QHCPKHFHSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1c(C)cccc1C ZINC000021787440 558950540 /nfs/dbraw/zinc/95/05/40/558950540.db2.gz BCSBBVZGRQKGBJ-HSZRJFAPSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1c(C)cccc1C ZINC000021787444 558950583 /nfs/dbraw/zinc/95/05/83/558950583.db2.gz BCSBBVZGRQKGBJ-QHCPKHFHSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cc(C)ccc1C ZINC000021787447 558950557 /nfs/dbraw/zinc/95/05/57/558950557.db2.gz GYVMDKPRLNDOEP-HSZRJFAPSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cc(C)ccc1C ZINC000021787451 558950578 /nfs/dbraw/zinc/95/05/78/558950578.db2.gz GYVMDKPRLNDOEP-QHCPKHFHSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000021787466 558950545 /nfs/dbraw/zinc/95/05/45/558950545.db2.gz SVFBSKJUNOGHJA-OAQYLSRUSA-N 0 0 411.933 5.232 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000021787470 558950586 /nfs/dbraw/zinc/95/05/86/558950586.db2.gz SVFBSKJUNOGHJA-NRFANRHFSA-N 0 0 411.933 5.232 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000021787482 558950556 /nfs/dbraw/zinc/95/05/56/558950556.db2.gz GBSJCHNYQXWLQQ-XMMPIXPASA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000021787486 558950542 /nfs/dbraw/zinc/95/05/42/558950542.db2.gz GBSJCHNYQXWLQQ-DEOSSOPVSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(C)c(C)c1 ZINC000021787491 558448593 /nfs/dbraw/zinc/44/85/93/558448593.db2.gz QYWFPJZDUVGZTQ-XMMPIXPASA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(C)c(C)c1 ZINC000021787495 558448618 /nfs/dbraw/zinc/44/86/18/558448618.db2.gz QYWFPJZDUVGZTQ-DEOSSOPVSA-N 0 0 405.542 5.196 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000021787510 558950541 /nfs/dbraw/zinc/95/05/41/558950541.db2.gz ILLJDUNFIYNPJN-JOCHJYFZSA-N 0 0 411.933 5.232 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000021787514 558949157 /nfs/dbraw/zinc/94/91/57/558949157.db2.gz ILLJDUNFIYNPJN-QFIPXVFZSA-N 0 0 411.933 5.232 50 0 HKAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000021787542 558448711 /nfs/dbraw/zinc/44/87/11/558448711.db2.gz LVLVDUDRGAHMHA-DEOSSOPVSA-N 0 0 419.569 5.621 50 0 HKAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000021787546 558448661 /nfs/dbraw/zinc/44/86/61/558448661.db2.gz LVLVDUDRGAHMHA-XMMPIXPASA-N 0 0 419.569 5.621 50 0 HKAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000021787705 558949164 /nfs/dbraw/zinc/94/91/64/558949164.db2.gz MNCMTFIWHRIZID-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@H](C)N(c1ccc(C)c(Cl)c1)C3=O ZINC000021788796 568752791 /nfs/dbraw/zinc/75/27/91/568752791.db2.gz VYFXYQWXJXHBSZ-LBPRGKRZSA-N 0 0 401.919 5.131 50 0 HKAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](C)N(c1ccc(C)c(Cl)c1)C3=O ZINC000021788800 568752837 /nfs/dbraw/zinc/75/28/37/568752837.db2.gz VYFXYQWXJXHBSZ-GFCCVEGCSA-N 0 0 401.919 5.131 50 0 HKAARN Cc1cc(C)n(-c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)n1 ZINC000021790447 558448959 /nfs/dbraw/zinc/44/89/59/558448959.db2.gz IWHWLYTVFAOKAB-UHFFFAOYSA-N 0 0 405.811 5.179 50 0 HKAARN Cc1cc(NCc2cccnc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790462 558448943 /nfs/dbraw/zinc/44/89/43/558448943.db2.gz KNLSEYXHYXDNGW-UHFFFAOYSA-N 0 0 417.822 5.384 50 0 HKAARN Cc1cc(NCc2ccccn2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790465 558448957 /nfs/dbraw/zinc/44/89/57/558448957.db2.gz OZOGALVIZJIZEK-UHFFFAOYSA-N 0 0 417.822 5.384 50 0 HKAARN Cc1cc(C)n(-c2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn32)n1 ZINC000021790511 558448946 /nfs/dbraw/zinc/44/89/46/558448946.db2.gz YCMPPTHIKZGRIV-UHFFFAOYSA-N 0 0 405.811 5.179 50 0 HKAARN Cc1cc(NCc2cccnc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790524 558448912 /nfs/dbraw/zinc/44/89/12/558448912.db2.gz SNUDBZZZZGZEBI-UHFFFAOYSA-N 0 0 417.822 5.384 50 0 HKAARN Cc1cc(NCc2ccccn2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790528 558448931 /nfs/dbraw/zinc/44/89/31/558448931.db2.gz DZWUGUDAQJPBMR-UHFFFAOYSA-N 0 0 417.822 5.384 50 0 HKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccccc3)n2)cc1 ZINC000021792819 568753200 /nfs/dbraw/zinc/75/32/00/568753200.db2.gz FCRIVIIQXGUAOA-UHFFFAOYSA-N 0 0 411.461 5.080 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N(C)C)n1 ZINC000021794031 568753509 /nfs/dbraw/zinc/75/35/09/568753509.db2.gz WOSNFAVTFQFBJY-UHFFFAOYSA-N 0 0 403.530 5.144 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000021794101 568753490 /nfs/dbraw/zinc/75/34/90/568753490.db2.gz OYRKGXMLMCWZFX-UHFFFAOYSA-N 0 0 419.529 5.026 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(N2CCCC2)n1 ZINC000021794195 568753375 /nfs/dbraw/zinc/75/33/75/568753375.db2.gz HSCMGLYJWVOXED-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(N2CCCC2)n1 ZINC000021794199 568753325 /nfs/dbraw/zinc/75/33/25/568753325.db2.gz YYIOGKINBYGTIA-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(N2CCCC2)n1 ZINC000021794203 568753331 /nfs/dbraw/zinc/75/33/31/568753331.db2.gz AZXZLAARPAFOPD-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1 ZINC000021794282 568753318 /nfs/dbraw/zinc/75/33/18/568753318.db2.gz GRUAAYHOUJIYGV-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1 ZINC000021794286 568753387 /nfs/dbraw/zinc/75/33/87/568753387.db2.gz LYQAJOXPVLSSSY-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021794292 568753480 /nfs/dbraw/zinc/75/34/80/568753480.db2.gz MDSUZLWEBBJKKR-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1C ZINC000021794296 568753439 /nfs/dbraw/zinc/75/34/39/568753439.db2.gz CQWYXEHHBQWQIF-UHFFFAOYSA-N 0 0 415.541 5.388 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(N2CCCCC2)n1 ZINC000021794340 568753515 /nfs/dbraw/zinc/75/35/15/568753515.db2.gz LDPPYBFKTUMOEI-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(N2CCCCC2)n1 ZINC000021794345 568753463 /nfs/dbraw/zinc/75/34/63/568753463.db2.gz FVCNWOOGMPOKGD-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(N2CCCCC2)n1 ZINC000021794350 568753352 /nfs/dbraw/zinc/75/33/52/568753352.db2.gz CCOXXEHFGUAAHM-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)n2)cc1 ZINC000021794545 568753423 /nfs/dbraw/zinc/75/34/23/568753423.db2.gz GFBOODOQLGFAMI-UHFFFAOYSA-N 0 0 409.493 5.833 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4cccs4)cc3)nc(C)n2)cc1 ZINC000021794569 568753445 /nfs/dbraw/zinc/75/34/45/568753445.db2.gz VCFLEAVPLXUIKZ-UHFFFAOYSA-N 0 0 415.522 5.894 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(N2CCCC2)n1 ZINC000021795457 568753840 /nfs/dbraw/zinc/75/38/40/568753840.db2.gz KJBJRAUWVVZLHX-UHFFFAOYSA-N 0 0 422.920 5.426 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000021795464 568753860 /nfs/dbraw/zinc/75/38/60/568753860.db2.gz YVRBOVFQEDFYET-UHFFFAOYSA-N 0 0 402.502 5.081 50 0 HKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000021795468 568753699 /nfs/dbraw/zinc/75/36/99/568753699.db2.gz ZFTWYYKYWHKHJB-UHFFFAOYSA-N 0 0 416.529 5.390 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(N2CCCC2)n1 ZINC000021795477 568753714 /nfs/dbraw/zinc/75/37/14/568753714.db2.gz LIBGJLHBAUWGMG-UHFFFAOYSA-N 0 0 422.920 5.426 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1C ZINC000021795483 568753820 /nfs/dbraw/zinc/75/38/20/568753820.db2.gz DXXCFPQATWWURZ-UHFFFAOYSA-N 0 0 416.529 5.390 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(N2CCCCC2)n1 ZINC000021795510 568753778 /nfs/dbraw/zinc/75/37/78/568753778.db2.gz WGFHVHJSIKTZMX-UHFFFAOYSA-N 0 0 420.492 5.302 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)nc(C)n2)cc1 ZINC000021795627 568753752 /nfs/dbraw/zinc/75/37/52/568753752.db2.gz PAHYJILONHXFEG-UHFFFAOYSA-N 0 0 424.508 6.225 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc2)cc(N(C)C)n1 ZINC000021795800 568753680 /nfs/dbraw/zinc/75/36/80/568753680.db2.gz TYNCQNYHQQCCLJ-UHFFFAOYSA-N 0 0 410.909 5.200 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000021797829 558449826 /nfs/dbraw/zinc/44/98/26/558449826.db2.gz AOZGQWHIXNQBIT-UHFFFAOYSA-N 0 0 412.873 5.455 50 0 HKAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccccc3)s1)=C2 ZINC000021797847 558449761 /nfs/dbraw/zinc/44/97/61/558449761.db2.gz LEYSYPGGJGKLTM-UHFFFAOYSA-N 0 0 424.909 5.324 50 0 HKAARN c1c(-c2ccccc2)c2c(ncnc2N2CCc3ccccc3C2)n1-c1ccccc1 ZINC000021797902 132473431 /nfs/dbraw/zinc/47/34/31/132473431.db2.gz BZNPEHLJUCHEIO-UHFFFAOYSA-N 0 0 402.501 5.650 50 0 HKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCc3ccccc3C2)cc1 ZINC000021797932 558951559 /nfs/dbraw/zinc/95/15/59/558951559.db2.gz JLJUECPDMRIAPR-UHFFFAOYSA-N 0 0 420.491 5.789 50 0 HKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccc(F)cc1 ZINC000021797958 558951570 /nfs/dbraw/zinc/95/15/70/558951570.db2.gz JATWKLAHPQRDQZ-UHFFFAOYSA-N 0 0 408.480 6.147 50 0 HKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCc1ccccc1 ZINC000021797963 558951547 /nfs/dbraw/zinc/95/15/47/558951547.db2.gz GDJGHKAYWZMXPF-UHFFFAOYSA-N 0 0 404.517 6.051 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021798000 558449831 /nfs/dbraw/zinc/44/98/31/558449831.db2.gz ICYKPQKMIUZJLY-UHFFFAOYSA-N 0 0 406.489 6.148 50 0 HKAARN CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021798005 558449924 /nfs/dbraw/zinc/44/99/24/558449924.db2.gz NLRMCFQWIURMQG-UHFFFAOYSA-N 0 0 420.516 6.538 50 0 HKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCc2ccccc2C1 ZINC000021798043 558449849 /nfs/dbraw/zinc/44/98/49/558449849.db2.gz HLKMJVVGFPMMRB-UHFFFAOYSA-N 0 0 416.528 5.959 50 0 HKAARN Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccco1 ZINC000021798091 568754055 /nfs/dbraw/zinc/75/40/55/568754055.db2.gz ICSMDOVPVHVXPX-UHFFFAOYSA-N 0 0 400.869 5.946 50 0 HKAARN CCOCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798102 568754040 /nfs/dbraw/zinc/75/40/40/568754040.db2.gz WVBIPXIVAOXHTM-UHFFFAOYSA-N 0 0 406.917 5.579 50 0 HKAARN CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021798128 558449843 /nfs/dbraw/zinc/44/98/43/558449843.db2.gz XQIGEOMUONJGRD-UHFFFAOYSA-N 0 0 402.929 5.977 50 0 HKAARN Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCCCCC1 ZINC000021798142 568753960 /nfs/dbraw/zinc/75/39/60/568753960.db2.gz VKQFLMPHPVBWTI-UHFFFAOYSA-N 0 0 402.929 6.121 50 0 HKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccc(C)cc1 ZINC000021798176 568754049 /nfs/dbraw/zinc/75/40/49/568754049.db2.gz BUDNEWXATKBBBZ-UHFFFAOYSA-N 0 0 420.516 6.017 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)cc1 ZINC000021798203 558449786 /nfs/dbraw/zinc/44/97/86/558449786.db2.gz NSSOCULJKXLDMR-UHFFFAOYSA-N 0 0 422.488 5.848 50 0 HKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N(C)Cc1ccccc1 ZINC000021798222 568753977 /nfs/dbraw/zinc/75/39/77/568753977.db2.gz VACCARDGOXUKOF-UHFFFAOYSA-N 0 0 420.516 5.733 50 0 HKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCc3ccccc3C2)c1 ZINC000021798250 558449928 /nfs/dbraw/zinc/44/99/28/558449928.db2.gz JELWMAZYNABSAI-UHFFFAOYSA-N 0 0 416.528 5.959 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1 ZINC000021798596 568753981 /nfs/dbraw/zinc/75/39/81/568753981.db2.gz VVWSAOCBSSZPTE-UHFFFAOYSA-N 0 0 417.900 5.354 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1 ZINC000021798604 568754026 /nfs/dbraw/zinc/75/40/26/568754026.db2.gz OEOWXLHNTNARPW-UHFFFAOYSA-N 0 0 417.900 5.354 50 0 HKAARN Cc1cc(NCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000021799104 558449777 /nfs/dbraw/zinc/44/97/77/558449777.db2.gz STQLWIQEMAYEPP-UHFFFAOYSA-N 0 0 400.379 5.475 50 0 HKAARN C[C@@H]1CCc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 ZINC000021799165 568468333 /nfs/dbraw/zinc/46/83/33/568468333.db2.gz MLMDBEYQQYYXKD-RXMQYKEDSA-N 0 0 411.141 5.529 50 0 HKAARN C[C@H]1CCc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 ZINC000021799169 568468296 /nfs/dbraw/zinc/46/82/96/568468296.db2.gz MLMDBEYQQYYXKD-YFKPBYRVSA-N 0 0 411.141 5.529 50 0 HKAARN Cc1cc(-c2csc(NC(=O)c3c(C)noc3C)n2)c(C)n1CCc1ccccc1 ZINC000021800241 558450063 /nfs/dbraw/zinc/45/00/63/558450063.db2.gz UQNNRPDCSZWJHQ-UHFFFAOYSA-N 0 0 420.538 5.328 50 0 HKAARN Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801055 558450115 /nfs/dbraw/zinc/45/01/15/558450115.db2.gz VLAKGHFAVREPDP-UHFFFAOYSA-N 0 0 410.525 5.104 50 0 HKAARN Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801067 558450033 /nfs/dbraw/zinc/45/00/33/558450033.db2.gz RDQJGBQENZWAOQ-UHFFFAOYSA-N 0 0 410.525 5.104 50 0 HKAARN Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000021801112 558450019 /nfs/dbraw/zinc/45/00/19/558450019.db2.gz ISBDMQXSXMBWOS-UHFFFAOYSA-N 0 0 418.298 5.115 50 0 HKAARN COc1ccccc1-n1c(C)c(C)c2c3nc(-c4ccc(Cl)cc4)nn3cnc21 ZINC000021801227 558450127 /nfs/dbraw/zinc/45/01/27/558450127.db2.gz QDRBHVWQGPQYDR-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1ccccc1-n1c(C)c(C)c2c3nc(-c4ccccc4Cl)nn3cnc21 ZINC000021801238 558450123 /nfs/dbraw/zinc/45/01/23/558450123.db2.gz NKQWPYKYRSVKOF-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5ccc(Cl)cc5)nn4cnc32)c1 ZINC000021801279 558450074 /nfs/dbraw/zinc/45/00/74/558450074.db2.gz CXOGUXSAGKZDKW-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5ccccc5Cl)nn4cnc32)c1 ZINC000021801289 558450048 /nfs/dbraw/zinc/45/00/48/558450048.db2.gz JISZDOQZFWDOPZ-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(Cl)cc5)nn4cnc32)cc1 ZINC000021801332 558450113 /nfs/dbraw/zinc/45/01/13/558450113.db2.gz SQSOMKVQWAOHEF-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1ccc(-n2c(C)c(C)c3c4nc(-c5ccccc5Cl)nn4cnc32)cc1 ZINC000021801342 568754074 /nfs/dbraw/zinc/75/40/74/568754074.db2.gz FRMTUFRQDUYICP-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN Cc1c(C)n(-c2ncccc2C)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801569 558450333 /nfs/dbraw/zinc/45/03/33/558450333.db2.gz XOVIGXLVAOPUDV-UHFFFAOYSA-N 0 0 410.525 5.353 50 0 HKAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000021801659 558450289 /nfs/dbraw/zinc/45/02/89/558450289.db2.gz YSTLUTVUXWTWQS-UHFFFAOYSA-N 0 0 418.298 5.115 50 0 HKAARN Cc1c(C)n(-c2ccc(C)cc2C)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000021801752 568754185 /nfs/dbraw/zinc/75/41/85/568754185.db2.gz NDYWZROTWJSJKU-UHFFFAOYSA-N 0 0 410.525 5.035 50 0 HKAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000021801765 558450270 /nfs/dbraw/zinc/45/02/70/558450270.db2.gz FAMSLVMULSEAQI-UHFFFAOYSA-N 0 0 410.525 5.035 50 0 HKAARN COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4Cl)c3ncn2n1 ZINC000021801774 558450371 /nfs/dbraw/zinc/45/03/71/558450371.db2.gz UQQQCRQQEFXGKB-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1 ZINC000021801777 558450386 /nfs/dbraw/zinc/45/03/86/558450386.db2.gz GRDDXHIVPIPMSQ-UHFFFAOYSA-N 0 0 403.873 5.014 50 0 HKAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801825 558450379 /nfs/dbraw/zinc/45/03/79/558450379.db2.gz WIUNHAWXIVGQIL-UHFFFAOYSA-N 0 0 402.527 5.106 50 0 HKAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2cccs2)on1 ZINC000021805358 558450352 /nfs/dbraw/zinc/45/03/52/558450352.db2.gz QJOPRDZYYPKWAF-GOSISDBHSA-N 0 0 415.946 5.014 50 0 HKAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2cccs2)on1 ZINC000021805362 558450394 /nfs/dbraw/zinc/45/03/94/558450394.db2.gz QJOPRDZYYPKWAF-SFHVURJKSA-N 0 0 415.946 5.014 50 0 HKAARN COc1ccccc1N[C@H](c1c(C)[nH]c2ccc(NC(C)=O)cc21)c1ccccn1 ZINC000021805648 558951946 /nfs/dbraw/zinc/95/19/46/558951946.db2.gz HTRZRSUDCBKQGK-DEOSSOPVSA-N 0 0 400.482 5.040 50 0 HKAARN COc1ccccc1N[C@@H](c1c(C)[nH]c2ccc(NC(C)=O)cc21)c1ccccn1 ZINC000021805651 558951979 /nfs/dbraw/zinc/95/19/79/558951979.db2.gz HTRZRSUDCBKQGK-XMMPIXPASA-N 0 0 400.482 5.040 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1ccc(Cl)cc1Cl ZINC000021826741 558954343 /nfs/dbraw/zinc/95/43/43/558954343.db2.gz ZKVOOSDTDCZITF-UHFFFAOYSA-N 0 0 414.267 6.008 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1OC ZINC000021837500 568754543 /nfs/dbraw/zinc/75/45/43/568754543.db2.gz GVERCUVGOUIIBJ-ZDUSSCGKSA-N 0 0 419.905 5.112 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1OC ZINC000021837503 568754568 /nfs/dbraw/zinc/75/45/68/568754568.db2.gz GVERCUVGOUIIBJ-CYBMUJFWSA-N 0 0 419.905 5.112 50 0 HKAARN O=C(c1ccc(Cl)nc1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000021841461 558958336 /nfs/dbraw/zinc/95/83/36/558958336.db2.gz SPEBUOYFXWAXOM-UHFFFAOYSA-N 0 0 419.937 5.748 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1OC[C@@H]1CCCO1 ZINC000021843745 558451935 /nfs/dbraw/zinc/45/19/35/558451935.db2.gz QSNFVWDEMBIMDS-LBPRGKRZSA-N 0 0 420.943 5.335 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1OC[C@H]1CCCO1 ZINC000021843748 558451942 /nfs/dbraw/zinc/45/19/42/558451942.db2.gz QSNFVWDEMBIMDS-GFCCVEGCSA-N 0 0 420.943 5.335 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@@H]3c3cccs3)c2n1 ZINC000021844082 558451954 /nfs/dbraw/zinc/45/19/54/558451954.db2.gz XCMCTIMJRRNOPT-MRXNPFEDSA-N 0 0 421.349 5.654 50 0 HKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@H]3c3cccs3)c2n1 ZINC000021844085 558451938 /nfs/dbraw/zinc/45/19/38/558451938.db2.gz XCMCTIMJRRNOPT-INIZCTEOSA-N 0 0 421.349 5.654 50 0 HKAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021869339 568756127 /nfs/dbraw/zinc/75/61/27/568756127.db2.gz WAMLHDWPNGHMJO-SANMLTNESA-N 0 0 421.585 5.009 50 0 HKAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021869343 568756052 /nfs/dbraw/zinc/75/60/52/568756052.db2.gz WAMLHDWPNGHMJO-AREMUKBSSA-N 0 0 421.585 5.009 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)nc1COc1ccccc1 ZINC000021872645 568756467 /nfs/dbraw/zinc/75/64/67/568756467.db2.gz VLLHJILFSUIYHK-VGSWGCGISA-N 0 0 404.510 5.538 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)nc1COc1ccccc1 ZINC000021872648 568756490 /nfs/dbraw/zinc/75/64/90/568756490.db2.gz VLLHJILFSUIYHK-JTSKRJEESA-N 0 0 404.510 5.538 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)nc1COc1ccccc1 ZINC000021872651 568756472 /nfs/dbraw/zinc/75/64/72/568756472.db2.gz VLLHJILFSUIYHK-VGOFRKELSA-N 0 0 404.510 5.538 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)nc1COc1ccccc1 ZINC000021872654 568756543 /nfs/dbraw/zinc/75/65/43/568756543.db2.gz VLLHJILFSUIYHK-HTAPYJJXSA-N 0 0 404.510 5.538 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000021872682 568756488 /nfs/dbraw/zinc/75/64/88/568756488.db2.gz PGHDQKDTJVZKMS-RTBURBONSA-N 0 0 418.537 5.656 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000021872685 568756563 /nfs/dbraw/zinc/75/65/63/568756563.db2.gz PGHDQKDTJVZKMS-KDURUIRLSA-N 0 0 418.537 5.656 50 0 HKAARN Cc1oc(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000021872690 568756558 /nfs/dbraw/zinc/75/65/58/568756558.db2.gz PGHDQKDTJVZKMS-OALUTQOASA-N 0 0 418.537 5.656 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879701 558453332 /nfs/dbraw/zinc/45/33/32/558453332.db2.gz NJFLPTBJOHSLID-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879703 558453483 /nfs/dbraw/zinc/45/34/83/558453483.db2.gz NJFLPTBJOHSLID-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000021879705 558453454 /nfs/dbraw/zinc/45/34/54/558453454.db2.gz YRNMLBJAPGWLAB-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)c1 ZINC000021879707 558453524 /nfs/dbraw/zinc/45/35/24/558453524.db2.gz YRNMLBJAPGWLAB-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1 ZINC000021879728 558453473 /nfs/dbraw/zinc/45/34/73/558453473.db2.gz HRWVKEXYWUTNDP-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1 ZINC000021879730 558453503 /nfs/dbraw/zinc/45/35/03/558453503.db2.gz HRWVKEXYWUTNDP-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879750 558453476 /nfs/dbraw/zinc/45/34/76/558453476.db2.gz WWMCXIVGIWYDRF-QHCPKHFHSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879751 558453450 /nfs/dbraw/zinc/45/34/50/558453450.db2.gz WWMCXIVGIWYDRF-HSZRJFAPSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879753 558453460 /nfs/dbraw/zinc/45/34/60/558453460.db2.gz DHRFJNOIBSWQHV-QHCPKHFHSA-N 0 0 421.422 5.765 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879755 558453533 /nfs/dbraw/zinc/45/35/33/558453533.db2.gz DHRFJNOIBSWQHV-HSZRJFAPSA-N 0 0 421.422 5.765 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879760 558453445 /nfs/dbraw/zinc/45/34/45/558453445.db2.gz FWIYUYBFHKAIFN-QHCPKHFHSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879762 558453490 /nfs/dbraw/zinc/45/34/90/558453490.db2.gz FWIYUYBFHKAIFN-HSZRJFAPSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000021879771 558453507 /nfs/dbraw/zinc/45/35/07/558453507.db2.gz BWCJMJICEIFQMW-QHCPKHFHSA-N 0 0 421.422 5.765 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000021879773 558453470 /nfs/dbraw/zinc/45/34/70/558453470.db2.gz BWCJMJICEIFQMW-HSZRJFAPSA-N 0 0 421.422 5.765 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000021879785 558453480 /nfs/dbraw/zinc/45/34/80/558453480.db2.gz YXLAATANXVATEY-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000021879787 558453494 /nfs/dbraw/zinc/45/34/94/558453494.db2.gz YXLAATANXVATEY-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000021879788 558453511 /nfs/dbraw/zinc/45/35/11/558453511.db2.gz XYOQKCDIPJODPX-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)c1 ZINC000021879790 558453457 /nfs/dbraw/zinc/45/34/57/558453457.db2.gz XYOQKCDIPJODPX-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021879808 558453527 /nfs/dbraw/zinc/45/35/27/558453527.db2.gz MHYPWVNIVAHLRW-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000021879810 558453486 /nfs/dbraw/zinc/45/34/86/558453486.db2.gz MHYPWVNIVAHLRW-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879829 558453544 /nfs/dbraw/zinc/45/35/44/558453544.db2.gz BBJUZAGIJHUQNA-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879831 558453465 /nfs/dbraw/zinc/45/34/65/558453465.db2.gz BBJUZAGIJHUQNA-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021879833 558453555 /nfs/dbraw/zinc/45/35/55/558453555.db2.gz MGZJAZWAFLKHKB-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000021879834 558453536 /nfs/dbraw/zinc/45/35/36/558453536.db2.gz MGZJAZWAFLKHKB-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021879850 558453550 /nfs/dbraw/zinc/45/35/50/558453550.db2.gz YNWUKINJTXOIOK-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC000021879851 558453499 /nfs/dbraw/zinc/45/34/99/558453499.db2.gz YNWUKINJTXOIOK-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879869 558453540 /nfs/dbraw/zinc/45/35/40/558453540.db2.gz JCRQRQGJRWCXNB-QHCPKHFHSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879871 558453439 /nfs/dbraw/zinc/45/34/39/558453439.db2.gz JCRQRQGJRWCXNB-HSZRJFAPSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879877 558453520 /nfs/dbraw/zinc/45/35/20/558453520.db2.gz DCIVFXPMHRVANE-QHCPKHFHSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879879 558453557 /nfs/dbraw/zinc/45/35/57/558453557.db2.gz DCIVFXPMHRVANE-HSZRJFAPSA-N 0 0 403.432 5.626 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021879889 558453515 /nfs/dbraw/zinc/45/35/15/558453515.db2.gz VKHYOJSRZMAPBX-QHCPKHFHSA-N 0 0 421.422 5.765 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021879891 558453778 /nfs/dbraw/zinc/45/37/78/558453778.db2.gz VKHYOJSRZMAPBX-HSZRJFAPSA-N 0 0 421.422 5.765 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021879945 558453723 /nfs/dbraw/zinc/45/37/23/558453723.db2.gz DXAMRDOHRBLNGI-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021879947 558453706 /nfs/dbraw/zinc/45/37/06/558453706.db2.gz DXAMRDOHRBLNGI-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000021879949 558453726 /nfs/dbraw/zinc/45/37/26/558453726.db2.gz NYXISMNQCFIKSV-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2C)cc1 ZINC000021879951 558453731 /nfs/dbraw/zinc/45/37/31/558453731.db2.gz NYXISMNQCFIKSV-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000021879997 558453710 /nfs/dbraw/zinc/45/37/10/558453710.db2.gz LMPHIZWNVQSRNG-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000021879999 558453700 /nfs/dbraw/zinc/45/37/00/558453700.db2.gz LMPHIZWNVQSRNG-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1)[C@@H]3c1ccc(F)cc1 ZINC000021880088 558453772 /nfs/dbraw/zinc/45/37/72/558453772.db2.gz YLRCCQVSSZPXAW-XMMPIXPASA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1)[C@H]3c1ccc(F)cc1 ZINC000021880089 558453711 /nfs/dbraw/zinc/45/37/11/558453711.db2.gz YLRCCQVSSZPXAW-DEOSSOPVSA-N 0 0 415.468 5.495 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1)[C@@H]3c1ccc(C)cc1 ZINC000021880154 558453775 /nfs/dbraw/zinc/45/37/75/558453775.db2.gz DCMFHHSBBHFNDT-RUZDIDTESA-N 0 0 411.505 5.665 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1ccccc1)[C@H]3c1ccc(C)cc1 ZINC000021880156 558453767 /nfs/dbraw/zinc/45/37/67/558453767.db2.gz DCMFHHSBBHFNDT-VWLOTQADSA-N 0 0 411.505 5.665 50 0 HKAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1Cl ZINC000021881915 568757339 /nfs/dbraw/zinc/75/73/39/568757339.db2.gz UGDWSHZATOVZCI-UHFFFAOYSA-N 0 0 415.946 5.115 50 0 HKAARN Cc1cccc(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C(C)(C)C)CC4)c1 ZINC000021882558 568757650 /nfs/dbraw/zinc/75/76/50/568757650.db2.gz RKNLTTVKSNAIOY-HNNXBMFYSA-N 0 0 423.582 5.015 50 0 HKAARN Cc1cccc(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C(C)(C)C)CC4)c1 ZINC000021882559 568757822 /nfs/dbraw/zinc/75/78/22/568757822.db2.gz RKNLTTVKSNAIOY-OAHLLOKOSA-N 0 0 423.582 5.015 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000021882560 568757880 /nfs/dbraw/zinc/75/78/80/568757880.db2.gz XWCRRCMXVAZKPP-HNNXBMFYSA-N 0 0 423.582 5.015 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000021882561 568757872 /nfs/dbraw/zinc/75/78/72/568757872.db2.gz XWCRRCMXVAZKPP-OAHLLOKOSA-N 0 0 423.582 5.015 50 0 HKAARN Cc1oc(-c2ccccc2)nc1Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000021882870 568757830 /nfs/dbraw/zinc/75/78/30/568757830.db2.gz NVXDJSWORTWMHJ-UHFFFAOYSA-N 0 0 411.436 5.418 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc4nsnc43)c3ccccc3n2)cc1C ZINC000021883203 568758076 /nfs/dbraw/zinc/75/80/76/568758076.db2.gz URNAORGKOQNNRG-UHFFFAOYSA-N 0 0 410.502 5.776 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cccc4nsnc43)c3ccccc3n2)cc1 ZINC000021883225 568758091 /nfs/dbraw/zinc/75/80/91/568758091.db2.gz IDUGCWNSQUHWFB-UHFFFAOYSA-N 0 0 412.474 5.167 50 0 HKAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)no1 ZINC000021883470 568758114 /nfs/dbraw/zinc/75/81/14/568758114.db2.gz SDONAESMVFPAQH-UHFFFAOYSA-N 0 0 409.449 5.095 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000021883752 568758253 /nfs/dbraw/zinc/75/82/53/568758253.db2.gz DPINAVMJGSNCGJ-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN C[C@@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3ccccc3F)c2c1=O ZINC000021883758 568758309 /nfs/dbraw/zinc/75/83/09/568758309.db2.gz OHZBAWIQVYOILP-INIZCTEOSA-N 0 0 415.443 5.287 50 0 HKAARN C[C@H](c1ccccc1)n1cnc2c3cc(F)ccc3n(Cc3ccccc3F)c2c1=O ZINC000021883760 568758237 /nfs/dbraw/zinc/75/82/37/568758237.db2.gz OHZBAWIQVYOILP-MRXNPFEDSA-N 0 0 415.443 5.287 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1cccc(F)c1 ZINC000021883762 568758314 /nfs/dbraw/zinc/75/83/14/568758314.db2.gz JSNUNKXNMDELIF-UHFFFAOYSA-N 0 0 415.443 5.034 50 0 HKAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000021884799 568758222 /nfs/dbraw/zinc/75/82/22/568758222.db2.gz MKWNOVHGENUFFX-UHFFFAOYSA-N 0 0 424.888 5.036 50 0 HKAARN CCCS(=O)(=O)N1CCC(c2c(C)n(Cc3ccccc3C)c3ccccc32)CC1 ZINC000021885554 558454071 /nfs/dbraw/zinc/45/40/71/558454071.db2.gz YZOOPMBWAFTIKO-UHFFFAOYSA-N 0 0 424.610 5.226 50 0 HKAARN CC(C)Oc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1 ZINC000021886333 568758628 /nfs/dbraw/zinc/75/86/28/568758628.db2.gz DKKTWLRWLDNVNX-UHFFFAOYSA-N 0 0 419.506 5.182 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000021886779 568758655 /nfs/dbraw/zinc/75/86/55/568758655.db2.gz AMVFAWNBQWPEBN-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN CCC(=O)Nc1ccccc1SCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000021888476 568758915 /nfs/dbraw/zinc/75/89/15/568758915.db2.gz CYPUTCFAUQQFRJ-UHFFFAOYSA-N 0 0 421.547 5.064 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888727 568758912 /nfs/dbraw/zinc/75/89/12/568758912.db2.gz IONAOPQTXPXKSD-QHCPKHFHSA-N 0 0 405.929 5.688 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888729 568758978 /nfs/dbraw/zinc/75/89/78/568758978.db2.gz IONAOPQTXPXKSD-HSZRJFAPSA-N 0 0 405.929 5.688 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888738 568758948 /nfs/dbraw/zinc/75/89/48/568758948.db2.gz QLCZAAVIZDYQSF-QHCPKHFHSA-N 0 0 423.944 5.172 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888741 568759011 /nfs/dbraw/zinc/75/90/11/568759011.db2.gz QLCZAAVIZDYQSF-HSZRJFAPSA-N 0 0 423.944 5.172 50 0 HKAARN O=C(NCc1ccco1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888754 568758941 /nfs/dbraw/zinc/75/89/41/568758941.db2.gz AEKYOPIGQRYULX-QHCPKHFHSA-N 0 0 417.896 5.539 50 0 HKAARN O=C(NCc1ccco1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888756 568759001 /nfs/dbraw/zinc/75/90/01/568759001.db2.gz AEKYOPIGQRYULX-HSZRJFAPSA-N 0 0 417.896 5.539 50 0 HKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888775 568759007 /nfs/dbraw/zinc/75/90/07/568759007.db2.gz UVAGGTFGFNBHRB-QHCPKHFHSA-N 0 0 407.945 5.791 50 0 HKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888778 568758945 /nfs/dbraw/zinc/75/89/45/568758945.db2.gz UVAGGTFGFNBHRB-HSZRJFAPSA-N 0 0 407.945 5.791 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021888832 568758994 /nfs/dbraw/zinc/75/89/94/568758994.db2.gz QJMFTDHLLNCPTA-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000021888835 568759016 /nfs/dbraw/zinc/75/90/16/568759016.db2.gz QJMFTDHLLNCPTA-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888838 568758965 /nfs/dbraw/zinc/75/89/65/568758965.db2.gz VLOFBQYVQAUHFK-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888841 568758930 /nfs/dbraw/zinc/75/89/30/568758930.db2.gz VLOFBQYVQAUHFK-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000021888868 568758975 /nfs/dbraw/zinc/75/89/75/568758975.db2.gz LZAJNCMWJAXXQN-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000021888871 568758926 /nfs/dbraw/zinc/75/89/26/568758926.db2.gz LZAJNCMWJAXXQN-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888879 568758908 /nfs/dbraw/zinc/75/89/08/568758908.db2.gz ASSQLOMPORRVMR-DEOSSOPVSA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888881 568759004 /nfs/dbraw/zinc/75/90/04/568759004.db2.gz ASSQLOMPORRVMR-XMMPIXPASA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888902 568758952 /nfs/dbraw/zinc/75/89/52/568758952.db2.gz ZHLBMTMKXOPOCP-DEOSSOPVSA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888905 568758890 /nfs/dbraw/zinc/75/88/90/568758890.db2.gz ZHLBMTMKXOPOCP-XMMPIXPASA-N 0 0 415.443 5.893 50 0 HKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888920 568758937 /nfs/dbraw/zinc/75/89/37/568758937.db2.gz HAJLRWAUYNGTSS-VWLOTQADSA-N 0 0 411.480 5.431 50 0 HKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888923 568758981 /nfs/dbraw/zinc/75/89/81/568758981.db2.gz HAJLRWAUYNGTSS-RUZDIDTESA-N 0 0 411.480 5.431 50 0 HKAARN O=C(NCc1ccco1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888983 568758919 /nfs/dbraw/zinc/75/89/19/568758919.db2.gz CSCQXMOWWQXZKK-QHCPKHFHSA-N 0 0 401.441 5.024 50 0 HKAARN O=C(NCc1ccco1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888986 568759009 /nfs/dbraw/zinc/75/90/09/568759009.db2.gz CSCQXMOWWQXZKK-HSZRJFAPSA-N 0 0 401.441 5.024 50 0 HKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021889025 568758905 /nfs/dbraw/zinc/75/89/05/568758905.db2.gz KDHFMJDKYJLGCG-SANMLTNESA-N 0 0 423.516 6.013 50 0 HKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021889027 568758922 /nfs/dbraw/zinc/75/89/22/568758922.db2.gz KDHFMJDKYJLGCG-AREMUKBSSA-N 0 0 423.516 6.013 50 0 HKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021889229 568759008 /nfs/dbraw/zinc/75/90/08/568759008.db2.gz MTCZEBDTOSKUIY-VWLOTQADSA-N 0 0 415.537 5.433 50 0 HKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021889232 568759018 /nfs/dbraw/zinc/75/90/18/568759018.db2.gz MTCZEBDTOSKUIY-RUZDIDTESA-N 0 0 415.537 5.433 50 0 HKAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021889293 568758999 /nfs/dbraw/zinc/75/89/99/568758999.db2.gz HZCQSMLJTASNKM-VWLOTQADSA-N 0 0 417.553 5.537 50 0 HKAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021889296 568758933 /nfs/dbraw/zinc/75/89/33/568758933.db2.gz HZCQSMLJTASNKM-RUZDIDTESA-N 0 0 417.553 5.537 50 0 HKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021889466 568759010 /nfs/dbraw/zinc/75/90/10/568759010.db2.gz NXQOXQVJHFIPNA-DEOSSOPVSA-N 0 0 417.578 5.756 50 0 HKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021889469 568759013 /nfs/dbraw/zinc/75/90/13/568759013.db2.gz NXQOXQVJHFIPNA-XMMPIXPASA-N 0 0 417.578 5.756 50 0 HKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021889533 568758997 /nfs/dbraw/zinc/75/89/97/568758997.db2.gz LNKKJOGQJKCNOC-DEOSSOPVSA-N 0 0 419.594 5.860 50 0 HKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021889536 568759005 /nfs/dbraw/zinc/75/90/05/568759005.db2.gz LNKKJOGQJKCNOC-XMMPIXPASA-N 0 0 419.594 5.860 50 0 HKAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021889574 568759003 /nfs/dbraw/zinc/75/90/03/568759003.db2.gz AZAFBDSQXGPXEL-VWLOTQADSA-N 0 0 417.553 5.252 50 0 HKAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000021889576 568759096 /nfs/dbraw/zinc/75/90/96/568759096.db2.gz AZAFBDSQXGPXEL-RUZDIDTESA-N 0 0 417.553 5.252 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C(C)C)cc1OC ZINC000021889675 568759109 /nfs/dbraw/zinc/75/91/09/568759109.db2.gz MMQSSNXBJBPFHH-QHCPKHFHSA-N 0 0 405.498 5.239 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C(C)C)cc1OC ZINC000021889678 568759058 /nfs/dbraw/zinc/75/90/58/568759058.db2.gz MMQSSNXBJBPFHH-HSZRJFAPSA-N 0 0 405.498 5.239 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Br ZINC000021889704 568759062 /nfs/dbraw/zinc/75/90/62/568759062.db2.gz ZXQHSARARFENJA-NRFANRHFSA-N 0 0 424.342 5.985 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Br ZINC000021889707 568759084 /nfs/dbraw/zinc/75/90/84/568759084.db2.gz ZXQHSARARFENJA-OAQYLSRUSA-N 0 0 424.342 5.985 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Br)c1 ZINC000021889722 568759098 /nfs/dbraw/zinc/75/90/98/568759098.db2.gz SVLNKGREOTXPJF-NRFANRHFSA-N 0 0 424.342 5.985 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Br)c1 ZINC000021889726 568759128 /nfs/dbraw/zinc/75/91/28/568759128.db2.gz SVLNKGREOTXPJF-OAQYLSRUSA-N 0 0 424.342 5.985 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1C(F)(F)F ZINC000021889768 568759024 /nfs/dbraw/zinc/75/90/24/568759024.db2.gz BQCNKTMJTIIYFV-NRFANRHFSA-N 0 0 413.443 6.241 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1C(F)(F)F ZINC000021889772 568759080 /nfs/dbraw/zinc/75/90/80/568759080.db2.gz BQCNKTMJTIIYFV-OAQYLSRUSA-N 0 0 413.443 6.241 50 0 HKAARN CCOC(=O)c1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2CC)c1 ZINC000021889996 568759023 /nfs/dbraw/zinc/75/90/23/568759023.db2.gz QCGKZMIZKGEDJG-FQEVSTJZSA-N 0 0 403.482 5.153 50 0 HKAARN CCOC(=O)c1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2CC)c1 ZINC000021890000 568759113 /nfs/dbraw/zinc/75/91/13/568759113.db2.gz QCGKZMIZKGEDJG-HXUWFJFHSA-N 0 0 403.482 5.153 50 0 HKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Br ZINC000021890012 568759118 /nfs/dbraw/zinc/75/91/18/568759118.db2.gz FGFZVLPCZYYDJK-SFHVURJKSA-N 0 0 410.315 5.739 50 0 HKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Br ZINC000021890016 568759027 /nfs/dbraw/zinc/75/90/27/568759027.db2.gz FGFZVLPCZYYDJK-GOSISDBHSA-N 0 0 410.315 5.739 50 0 HKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Br)c1 ZINC000021890035 568759107 /nfs/dbraw/zinc/75/91/07/568759107.db2.gz XPIISHGAKKSWGV-SFHVURJKSA-N 0 0 410.315 5.739 50 0 HKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(Br)c1 ZINC000021890039 568759060 /nfs/dbraw/zinc/75/90/60/568759060.db2.gz XPIISHGAKKSWGV-GOSISDBHSA-N 0 0 410.315 5.739 50 0 HKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1 ZINC000021890059 568759039 /nfs/dbraw/zinc/75/90/39/568759039.db2.gz CTZYGELKKTWNPD-SFHVURJKSA-N 0 0 410.315 5.739 50 0 HKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1 ZINC000021890063 568759064 /nfs/dbraw/zinc/75/90/64/568759064.db2.gz CTZYGELKKTWNPD-GOSISDBHSA-N 0 0 410.315 5.739 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2CC)cc1 ZINC000021890075 568759068 /nfs/dbraw/zinc/75/90/68/568759068.db2.gz ZOZFCJYOEKUARC-NRFANRHFSA-N 0 0 417.509 5.082 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2CC)cc1 ZINC000021890079 568759033 /nfs/dbraw/zinc/75/90/33/568759033.db2.gz ZOZFCJYOEKUARC-OAQYLSRUSA-N 0 0 417.509 5.082 50 0 HKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000021890097 568759054 /nfs/dbraw/zinc/75/90/54/568759054.db2.gz KEDBNJBDDRAWPG-IBGZPJMESA-N 0 0 423.900 5.416 50 0 HKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000021890100 568759029 /nfs/dbraw/zinc/75/90/29/568759029.db2.gz KEDBNJBDDRAWPG-LJQANCHMSA-N 0 0 423.900 5.416 50 0 HKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000021890152 568759079 /nfs/dbraw/zinc/75/90/79/568759079.db2.gz AJCYZANIUKSHMK-IBGZPJMESA-N 0 0 424.342 6.047 50 0 HKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000021890156 568759087 /nfs/dbraw/zinc/75/90/87/568759087.db2.gz AJCYZANIUKSHMK-LJQANCHMSA-N 0 0 424.342 6.047 50 0 HKAARN COc1cc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)cc1Cl ZINC000021890467 568759093 /nfs/dbraw/zinc/75/90/93/568759093.db2.gz DOVKXPBBSACESA-AWEZNQCLSA-N 0 0 411.889 5.257 50 0 HKAARN COc1cc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)cc1Cl ZINC000021890470 568759121 /nfs/dbraw/zinc/75/91/21/568759121.db2.gz DOVKXPBBSACESA-CQSZACIVSA-N 0 0 411.889 5.257 50 0 HKAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021890527 568759082 /nfs/dbraw/zinc/75/90/82/568759082.db2.gz VCYDSVDOVBPVGB-ZDUSSCGKSA-N 0 0 414.278 5.488 50 0 HKAARN C[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1F ZINC000021890530 568759037 /nfs/dbraw/zinc/75/90/37/568759037.db2.gz VCYDSVDOVBPVGB-CYBMUJFWSA-N 0 0 414.278 5.488 50 0 HKAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C ZINC000021890579 568759041 /nfs/dbraw/zinc/75/90/41/568759041.db2.gz IPMGXZXHDNMPKC-AWEZNQCLSA-N 0 0 409.873 5.026 50 0 HKAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1C ZINC000021890583 568759076 /nfs/dbraw/zinc/75/90/76/568759076.db2.gz IPMGXZXHDNMPKC-CQSZACIVSA-N 0 0 409.873 5.026 50 0 HKAARN Cc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)ccc1Br ZINC000021890632 568759056 /nfs/dbraw/zinc/75/90/56/568759056.db2.gz XZCSVGDKVZSYAH-HNNXBMFYSA-N 0 0 410.315 5.657 50 0 HKAARN Cc1cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)ccc1Br ZINC000021890636 568759044 /nfs/dbraw/zinc/75/90/44/568759044.db2.gz XZCSVGDKVZSYAH-OAHLLOKOSA-N 0 0 410.315 5.657 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890753 568759105 /nfs/dbraw/zinc/75/91/05/568759105.db2.gz GHCJQIFDDOCCGK-VWLOTQADSA-N 0 0 409.489 5.623 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890757 568759134 /nfs/dbraw/zinc/75/91/34/568759134.db2.gz GHCJQIFDDOCCGK-RUZDIDTESA-N 0 0 409.489 5.623 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021890761 568759124 /nfs/dbraw/zinc/75/91/24/568759124.db2.gz AMTIYVXRDUQZKU-VWLOTQADSA-N 0 0 409.489 5.623 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021890765 568759072 /nfs/dbraw/zinc/75/90/72/568759072.db2.gz AMTIYVXRDUQZKU-RUZDIDTESA-N 0 0 409.489 5.623 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890769 568759100 /nfs/dbraw/zinc/75/91/00/568759100.db2.gz MTBFHKPONYPRAK-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890773 568759052 /nfs/dbraw/zinc/75/90/52/568759052.db2.gz MTBFHKPONYPRAK-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890778 568759066 /nfs/dbraw/zinc/75/90/66/568759066.db2.gz GEASNTFZAIRTIO-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890782 568759074 /nfs/dbraw/zinc/75/90/74/568759074.db2.gz GEASNTFZAIRTIO-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1 ZINC000021890793 568759236 /nfs/dbraw/zinc/75/92/36/568759236.db2.gz HVXAQAGSPIFTSL-SANMLTNESA-N 0 0 407.517 6.177 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1 ZINC000021890797 568759216 /nfs/dbraw/zinc/75/92/16/568759216.db2.gz HVXAQAGSPIFTSL-AREMUKBSSA-N 0 0 407.517 6.177 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890801 568759241 /nfs/dbraw/zinc/75/92/41/568759241.db2.gz VHTGJNZRKLPHPO-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890805 568759262 /nfs/dbraw/zinc/75/92/62/568759262.db2.gz VHTGJNZRKLPHPO-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1C ZINC000021890809 568759271 /nfs/dbraw/zinc/75/92/71/568759271.db2.gz ZYINXSPDNBUYCD-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1C ZINC000021890813 568759223 /nfs/dbraw/zinc/75/92/23/568759223.db2.gz ZYINXSPDNBUYCD-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021890817 568759276 /nfs/dbraw/zinc/75/92/76/568759276.db2.gz PVBQRZKLXRBEPH-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021890821 568759218 /nfs/dbraw/zinc/75/92/18/568759218.db2.gz PVBQRZKLXRBEPH-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021890826 568759238 /nfs/dbraw/zinc/75/92/38/568759238.db2.gz YEYLFBHGXVYULP-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021890830 568759234 /nfs/dbraw/zinc/75/92/34/568759234.db2.gz YEYLFBHGXVYULP-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1 ZINC000021890878 568759205 /nfs/dbraw/zinc/75/92/05/568759205.db2.gz QLHQQFDDOVPISG-VWLOTQADSA-N 0 0 409.489 5.623 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1 ZINC000021890882 568759282 /nfs/dbraw/zinc/75/92/82/568759282.db2.gz QLHQQFDDOVPISG-RUZDIDTESA-N 0 0 409.489 5.623 50 0 HKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890902 568759260 /nfs/dbraw/zinc/75/92/60/568759260.db2.gz LFKWGCPVZAUZDL-SANMLTNESA-N 0 0 423.516 6.013 50 0 HKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890908 568759274 /nfs/dbraw/zinc/75/92/74/568759274.db2.gz LFKWGCPVZAUZDL-AREMUKBSSA-N 0 0 423.516 6.013 50 0 HKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1 ZINC000021890911 568759266 /nfs/dbraw/zinc/75/92/66/568759266.db2.gz BGARHPWPLQDRBI-SANMLTNESA-N 0 0 423.516 6.013 50 0 HKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1 ZINC000021890914 568759206 /nfs/dbraw/zinc/75/92/06/568759206.db2.gz BGARHPWPLQDRBI-AREMUKBSSA-N 0 0 423.516 6.013 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890945 568759246 /nfs/dbraw/zinc/75/92/46/568759246.db2.gz LBSIPUJHAPWEAA-SANMLTNESA-N 0 0 407.517 6.177 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890949 568759279 /nfs/dbraw/zinc/75/92/79/568759279.db2.gz LBSIPUJHAPWEAA-AREMUKBSSA-N 0 0 407.517 6.177 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c(C)c1 ZINC000021890958 568759232 /nfs/dbraw/zinc/75/92/32/568759232.db2.gz WTMYNIKYYWPNST-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c(C)c1 ZINC000021890961 568759268 /nfs/dbraw/zinc/75/92/68/568759268.db2.gz WTMYNIKYYWPNST-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1F ZINC000021890979 568759222 /nfs/dbraw/zinc/75/92/22/568759222.db2.gz KMBWCWFFIDUBHZ-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1F ZINC000021890982 568759248 /nfs/dbraw/zinc/75/92/48/568759248.db2.gz KMBWCWFFIDUBHZ-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021890985 568759214 /nfs/dbraw/zinc/75/92/14/568759214.db2.gz MRVNGDUXUPDCKJ-DEOSSOPVSA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890988 568759264 /nfs/dbraw/zinc/75/92/64/568759264.db2.gz MRVNGDUXUPDCKJ-XMMPIXPASA-N 0 0 415.443 5.893 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021891009 568759230 /nfs/dbraw/zinc/75/92/30/568759230.db2.gz JKXHTXVFOZYXFU-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021891013 568759213 /nfs/dbraw/zinc/75/92/13/568759213.db2.gz JKXHTXVFOZYXFU-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)cc1 ZINC000021891051 568759224 /nfs/dbraw/zinc/75/92/24/568759224.db2.gz LOMYXMXAOKDSDH-SANMLTNESA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1 ZINC000021891055 568759251 /nfs/dbraw/zinc/75/92/51/568759251.db2.gz LOMYXMXAOKDSDH-AREMUKBSSA-N 0 0 407.517 5.601 50 0 HKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021891059 568759220 /nfs/dbraw/zinc/75/92/20/568759220.db2.gz JQLUGBQHNXMNLQ-SANMLTNESA-N 0 0 407.517 5.335 50 0 HKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021891064 568759227 /nfs/dbraw/zinc/75/92/27/568759227.db2.gz JQLUGBQHNXMNLQ-AREMUKBSSA-N 0 0 407.517 5.335 50 0 HKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021891067 568759273 /nfs/dbraw/zinc/75/92/73/568759273.db2.gz WPLJXVDKXQQRCD-SANMLTNESA-N 0 0 423.516 5.301 50 0 HKAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)c1 ZINC000021891071 568759256 /nfs/dbraw/zinc/75/92/56/568759256.db2.gz WPLJXVDKXQQRCD-AREMUKBSSA-N 0 0 423.516 5.301 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021891074 568759253 /nfs/dbraw/zinc/75/92/53/568759253.db2.gz YZCKHGXVFRBTDI-DEOSSOPVSA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021891077 568759221 /nfs/dbraw/zinc/75/92/21/568759221.db2.gz YZCKHGXVFRBTDI-XMMPIXPASA-N 0 0 415.443 5.893 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1 ZINC000021891096 568759219 /nfs/dbraw/zinc/75/92/19/568759219.db2.gz JUMHSUXEUXBDEU-VWLOTQADSA-N 0 0 411.480 5.431 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021891100 568759243 /nfs/dbraw/zinc/75/92/43/568759243.db2.gz JUMHSUXEUXBDEU-RUZDIDTESA-N 0 0 411.480 5.431 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891112 568759228 /nfs/dbraw/zinc/75/92/28/568759228.db2.gz GUBQZOSVSJXIQU-HSZRJFAPSA-N 0 0 415.518 5.685 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891116 568759215 /nfs/dbraw/zinc/75/92/15/568759215.db2.gz GUBQZOSVSJXIQU-QHCPKHFHSA-N 0 0 415.518 5.685 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891120 568759217 /nfs/dbraw/zinc/75/92/17/568759217.db2.gz YBRYSZXDULPDHO-HSZRJFAPSA-N 0 0 415.518 5.685 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891124 568759210 /nfs/dbraw/zinc/75/92/10/568759210.db2.gz YBRYSZXDULPDHO-QHCPKHFHSA-N 0 0 415.518 5.685 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891128 568759207 /nfs/dbraw/zinc/75/92/07/568759207.db2.gz MPYNXEBVGOLYHN-JOCHJYFZSA-N 0 0 419.937 6.329 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891132 568759225 /nfs/dbraw/zinc/75/92/25/568759225.db2.gz MPYNXEBVGOLYHN-QFIPXVFZSA-N 0 0 419.937 6.329 50 0 HKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891136 568759212 /nfs/dbraw/zinc/75/92/12/568759212.db2.gz OIUVPMMWFJPPBV-JOCHJYFZSA-N 0 0 419.937 6.329 50 0 HKAARN O=C(Nc1ccccc1Cl)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891141 568759208 /nfs/dbraw/zinc/75/92/08/568759208.db2.gz OIUVPMMWFJPPBV-QFIPXVFZSA-N 0 0 419.937 6.329 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1 ZINC000021891153 568759258 /nfs/dbraw/zinc/75/92/58/568759258.db2.gz ANCWYQOPRRUADD-XMMPIXPASA-N 0 0 413.546 6.238 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000021891157 568759250 /nfs/dbraw/zinc/75/92/50/568759250.db2.gz ANCWYQOPRRUADD-DEOSSOPVSA-N 0 0 413.546 6.238 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891161 568759281 /nfs/dbraw/zinc/75/92/81/568759281.db2.gz SNKIOWFXVYUIIL-JOCHJYFZSA-N 0 0 419.937 6.329 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891164 568759255 /nfs/dbraw/zinc/75/92/55/568759255.db2.gz SNKIOWFXVYUIIL-QFIPXVFZSA-N 0 0 419.937 6.329 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1C ZINC000021891168 568759209 /nfs/dbraw/zinc/75/92/09/568759209.db2.gz ULUFVPMXTKAPLK-XMMPIXPASA-N 0 0 413.546 6.293 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1C ZINC000021891172 568759442 /nfs/dbraw/zinc/75/94/42/568759442.db2.gz ULUFVPMXTKAPLK-DEOSSOPVSA-N 0 0 413.546 6.293 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1C ZINC000021891176 568759419 /nfs/dbraw/zinc/75/94/19/568759419.db2.gz YIIIMISECNYQCR-XMMPIXPASA-N 0 0 413.546 6.293 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1C ZINC000021891182 568759429 /nfs/dbraw/zinc/75/94/29/568759429.db2.gz YIIIMISECNYQCR-DEOSSOPVSA-N 0 0 413.546 6.293 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891185 568759449 /nfs/dbraw/zinc/75/94/49/568759449.db2.gz JANPFTSFAVPXGX-XMMPIXPASA-N 0 0 413.546 6.293 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891189 568759421 /nfs/dbraw/zinc/75/94/21/568759421.db2.gz JANPFTSFAVPXGX-DEOSSOPVSA-N 0 0 413.546 6.293 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c1 ZINC000021891193 568759424 /nfs/dbraw/zinc/75/94/24/568759424.db2.gz AZJYPYVINMYKSH-XMMPIXPASA-N 0 0 413.546 6.293 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000021891196 568759417 /nfs/dbraw/zinc/75/94/17/568759417.db2.gz AZJYPYVINMYKSH-DEOSSOPVSA-N 0 0 413.546 6.293 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1 ZINC000021891271 568759435 /nfs/dbraw/zinc/75/94/35/568759435.db2.gz ZWHHOIDXOJUIOZ-HSZRJFAPSA-N 0 0 415.518 5.685 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000021891275 568759423 /nfs/dbraw/zinc/75/94/23/568759423.db2.gz ZWHHOIDXOJUIOZ-QHCPKHFHSA-N 0 0 415.518 5.685 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891350 568759397 /nfs/dbraw/zinc/75/93/97/568759397.db2.gz FKTSKQOXMFRNDS-XMMPIXPASA-N 0 0 413.546 6.238 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891354 568759446 /nfs/dbraw/zinc/75/94/46/568759446.db2.gz FKTSKQOXMFRNDS-DEOSSOPVSA-N 0 0 413.546 6.238 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)c(C)c1 ZINC000021891374 568759387 /nfs/dbraw/zinc/75/93/87/568759387.db2.gz DAVSVWSLULVWGT-XMMPIXPASA-N 0 0 413.546 6.293 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c(C)c1 ZINC000021891378 568759392 /nfs/dbraw/zinc/75/93/92/568759392.db2.gz DAVSVWSLULVWGT-DEOSSOPVSA-N 0 0 413.546 6.293 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891390 568759438 /nfs/dbraw/zinc/75/94/38/568759438.db2.gz WTKJCJZDLMLWIM-JOCHJYFZSA-N 0 0 403.482 5.815 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891394 568759434 /nfs/dbraw/zinc/75/94/34/568759434.db2.gz WTKJCJZDLMLWIM-QFIPXVFZSA-N 0 0 403.482 5.815 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1F ZINC000021891398 568759414 /nfs/dbraw/zinc/75/94/14/568759414.db2.gz NRWWCFNCTLLEPP-HSZRJFAPSA-N 0 0 417.509 6.123 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1F ZINC000021891402 568759405 /nfs/dbraw/zinc/75/94/05/568759405.db2.gz NRWWCFNCTLLEPP-QHCPKHFHSA-N 0 0 417.509 6.123 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891413 568759406 /nfs/dbraw/zinc/75/94/06/568759406.db2.gz FRRDGDDTROUTAA-JOCHJYFZSA-N 0 0 421.472 5.954 50 0 HKAARN O=C(Nc1cc(F)ccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891417 568759398 /nfs/dbraw/zinc/75/93/98/568759398.db2.gz FRRDGDDTROUTAA-QFIPXVFZSA-N 0 0 421.472 5.954 50 0 HKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891453 568759441 /nfs/dbraw/zinc/75/94/41/568759441.db2.gz UZGWTAZICVMERB-JOCHJYFZSA-N 0 0 403.482 5.815 50 0 HKAARN O=C(Nc1ccccc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891457 568759448 /nfs/dbraw/zinc/75/94/48/568759448.db2.gz UZGWTAZICVMERB-QFIPXVFZSA-N 0 0 403.482 5.815 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccs2)cc1 ZINC000021891525 568759410 /nfs/dbraw/zinc/75/94/10/568759410.db2.gz ODGDVHXPFVSCNU-XMMPIXPASA-N 0 0 413.546 5.662 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)cc1 ZINC000021891529 568759409 /nfs/dbraw/zinc/75/94/09/568759409.db2.gz ODGDVHXPFVSCNU-DEOSSOPVSA-N 0 0 413.546 5.662 50 0 HKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891533 568759418 /nfs/dbraw/zinc/75/94/18/568759418.db2.gz IHGZHWBNHGOXBN-XMMPIXPASA-N 0 0 413.546 5.396 50 0 HKAARN O=C(NCCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891537 568759412 /nfs/dbraw/zinc/75/94/12/568759412.db2.gz IHGZHWBNHGOXBN-DEOSSOPVSA-N 0 0 413.546 5.396 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891556 568759439 /nfs/dbraw/zinc/75/94/39/568759439.db2.gz IEUJHISQMXSUQF-JOCHJYFZSA-N 0 0 421.472 5.954 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891559 568759432 /nfs/dbraw/zinc/75/94/32/568759432.db2.gz IEUJHISQMXSUQF-QFIPXVFZSA-N 0 0 421.472 5.954 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891570 568759427 /nfs/dbraw/zinc/75/94/27/568759427.db2.gz AHKBJOXGRGMOKN-HSZRJFAPSA-N 0 0 417.509 5.493 50 0 HKAARN O=C(NCc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891574 568759426 /nfs/dbraw/zinc/75/94/26/568759426.db2.gz AHKBJOXGRGMOKN-QHCPKHFHSA-N 0 0 417.509 5.493 50 0 HKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021891999 568759428 /nfs/dbraw/zinc/75/94/28/568759428.db2.gz YAJRQZIOUBYPRB-VWLOTQADSA-N 0 0 409.489 5.623 50 0 HKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021892003 568759413 /nfs/dbraw/zinc/75/94/13/568759413.db2.gz YAJRQZIOUBYPRB-RUZDIDTESA-N 0 0 409.489 5.623 50 0 HKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021892046 568759402 /nfs/dbraw/zinc/75/94/02/568759402.db2.gz XTNZONVLXTXAPY-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021892050 568759399 /nfs/dbraw/zinc/75/93/99/568759399.db2.gz XTNZONVLXTXAPY-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021892099 568759420 /nfs/dbraw/zinc/75/94/20/568759420.db2.gz PGSVVLNDOSOMSL-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021892103 568759394 /nfs/dbraw/zinc/75/93/94/568759394.db2.gz PGSVVLNDOSOMSL-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021892218 568759390 /nfs/dbraw/zinc/75/93/90/568759390.db2.gz KXHGFKJJUPJWKT-DEOSSOPVSA-N 0 0 401.510 5.043 50 0 HKAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021892222 568759430 /nfs/dbraw/zinc/75/94/30/568759430.db2.gz KXHGFKJJUPJWKT-XMMPIXPASA-N 0 0 401.510 5.043 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892296 568759572 /nfs/dbraw/zinc/75/95/72/568759572.db2.gz ZSNDODGFOUGEJD-DEOSSOPVSA-N 0 0 415.443 5.893 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892299 568759616 /nfs/dbraw/zinc/75/96/16/568759616.db2.gz ZSNDODGFOUGEJD-XMMPIXPASA-N 0 0 415.443 5.893 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892400 568759580 /nfs/dbraw/zinc/75/95/80/568759580.db2.gz VSWIRSSZAIMZBG-QHCPKHFHSA-N 0 0 407.464 5.313 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892403 568759627 /nfs/dbraw/zinc/75/96/27/568759627.db2.gz VSWIRSSZAIMZBG-HSZRJFAPSA-N 0 0 407.464 5.313 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1 ZINC000021892707 568759566 /nfs/dbraw/zinc/75/95/66/568759566.db2.gz OVBIQIZESJLHAI-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1 ZINC000021892710 568759619 /nfs/dbraw/zinc/75/96/19/568759619.db2.gz OVBIQIZESJLHAI-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)c1 ZINC000021892713 568759613 /nfs/dbraw/zinc/75/96/13/568759613.db2.gz RNWCUHDPYRYYRD-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)c1 ZINC000021892716 568759574 /nfs/dbraw/zinc/75/95/74/568759574.db2.gz RNWCUHDPYRYYRD-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021892724 568759626 /nfs/dbraw/zinc/75/96/26/568759626.db2.gz IXMZXQJJAJCVTE-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000021892727 568759602 /nfs/dbraw/zinc/75/96/02/568759602.db2.gz IXMZXQJJAJCVTE-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892737 568759582 /nfs/dbraw/zinc/75/95/82/568759582.db2.gz PKUHZJPDALYPAS-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000021892740 568759621 /nfs/dbraw/zinc/75/96/21/568759621.db2.gz PKUHZJPDALYPAS-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021892756 568759606 /nfs/dbraw/zinc/75/96/06/568759606.db2.gz HIERYABEZMNCMX-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000021892759 568759590 /nfs/dbraw/zinc/75/95/90/568759590.db2.gz HIERYABEZMNCMX-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021892762 568759618 /nfs/dbraw/zinc/75/96/18/568759618.db2.gz CZHADPJFOLZIDX-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000021892765 568759594 /nfs/dbraw/zinc/75/95/94/568759594.db2.gz CZHADPJFOLZIDX-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021892768 568759607 /nfs/dbraw/zinc/75/96/07/568759607.db2.gz GLFNZVBGWMEYHE-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021892771 568759605 /nfs/dbraw/zinc/75/96/05/568759605.db2.gz GLFNZVBGWMEYHE-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021892786 568759586 /nfs/dbraw/zinc/75/95/86/568759586.db2.gz BTOMHMQEVLAOFY-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021892789 568759589 /nfs/dbraw/zinc/75/95/89/568759589.db2.gz BTOMHMQEVLAOFY-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021892797 568759622 /nfs/dbraw/zinc/75/96/22/568759622.db2.gz RAHHFWPCYHTYKB-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000021892800 568759603 /nfs/dbraw/zinc/75/96/03/568759603.db2.gz RAHHFWPCYHTYKB-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021892843 568759577 /nfs/dbraw/zinc/75/95/77/568759577.db2.gz BFUFBEUEMVDHPC-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000021892845 568759600 /nfs/dbraw/zinc/75/96/00/568759600.db2.gz BFUFBEUEMVDHPC-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021892848 568759588 /nfs/dbraw/zinc/75/95/88/568759588.db2.gz LLVLPSYDGBUNCI-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000021892851 568759615 /nfs/dbraw/zinc/75/96/15/568759615.db2.gz LLVLPSYDGBUNCI-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021892870 568759601 /nfs/dbraw/zinc/75/96/01/568759601.db2.gz NHNITJHWGWOOBH-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)cc1 ZINC000021892873 568759599 /nfs/dbraw/zinc/75/95/99/568759599.db2.gz NHNITJHWGWOOBH-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021892889 568759563 /nfs/dbraw/zinc/75/95/63/568759563.db2.gz OMOGYKASXMSYHF-SANMLTNESA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021892892 568759610 /nfs/dbraw/zinc/75/96/10/568759610.db2.gz OMOGYKASXMSYHF-AREMUKBSSA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000021892910 568759570 /nfs/dbraw/zinc/75/95/70/568759570.db2.gz YZWUTRIBMVNODR-MHZLTWQESA-N 0 0 421.544 5.909 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000021892913 568759614 /nfs/dbraw/zinc/75/96/14/568759614.db2.gz YZWUTRIBMVNODR-HHHXNRCGSA-N 0 0 421.544 5.909 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021892916 568759604 /nfs/dbraw/zinc/75/96/04/568759604.db2.gz DIODMISNWUIAMZ-MHZLTWQESA-N 0 0 421.544 5.643 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)cc1 ZINC000021892918 568759609 /nfs/dbraw/zinc/75/96/09/568759609.db2.gz DIODMISNWUIAMZ-HHHXNRCGSA-N 0 0 421.544 5.643 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021892945 568759624 /nfs/dbraw/zinc/75/96/24/568759624.db2.gz XRHYZEYNDDYZOW-SANMLTNESA-N 0 0 407.517 6.177 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1 ZINC000021892948 568759584 /nfs/dbraw/zinc/75/95/84/568759584.db2.gz XRHYZEYNDDYZOW-AREMUKBSSA-N 0 0 407.517 6.177 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021892991 568759596 /nfs/dbraw/zinc/75/95/96/568759596.db2.gz SPXIGXDWNCCAGY-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000021892994 568759593 /nfs/dbraw/zinc/75/95/93/568759593.db2.gz SPXIGXDWNCCAGY-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021892997 568759598 /nfs/dbraw/zinc/75/95/98/568759598.db2.gz IDVHZIJTQQHEEK-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)cc1 ZINC000021893000 568759592 /nfs/dbraw/zinc/75/95/92/568759592.db2.gz IDVHZIJTQQHEEK-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021893036 568759595 /nfs/dbraw/zinc/75/95/95/568759595.db2.gz MTIUYDJHPILYLB-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2)cc1 ZINC000021893039 568759746 /nfs/dbraw/zinc/75/97/46/568759746.db2.gz MTIUYDJHPILYLB-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021893104 568759768 /nfs/dbraw/zinc/75/97/68/568759768.db2.gz BXBRGCZTUUUYDX-MHZLTWQESA-N 0 0 421.544 5.855 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)cc1 ZINC000021893107 568759748 /nfs/dbraw/zinc/75/97/48/568759748.db2.gz BXBRGCZTUUUYDX-HHHXNRCGSA-N 0 0 421.544 5.855 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(CC)cc1 ZINC000021893122 568759744 /nfs/dbraw/zinc/75/97/44/568759744.db2.gz JOGAEMSZVAZXJE-VWLOTQADSA-N 0 0 417.553 5.081 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(CC)cc1 ZINC000021893125 568759767 /nfs/dbraw/zinc/75/97/67/568759767.db2.gz JOGAEMSZVAZXJE-RUZDIDTESA-N 0 0 417.553 5.081 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021893146 568759762 /nfs/dbraw/zinc/75/97/62/568759762.db2.gz LAQCNTVKJLUEQH-VWLOTQADSA-N 0 0 411.505 5.448 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021893149 568759775 /nfs/dbraw/zinc/75/97/75/568759775.db2.gz LAQCNTVKJLUEQH-RUZDIDTESA-N 0 0 411.505 5.448 50 0 HKAARN CCc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021893164 568759766 /nfs/dbraw/zinc/75/97/66/568759766.db2.gz JOHBXPGKJPWRPP-VWLOTQADSA-N 0 0 401.554 5.700 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)cc1 ZINC000021893167 568759756 /nfs/dbraw/zinc/75/97/56/568759756.db2.gz JOHBXPGKJPWRPP-RUZDIDTESA-N 0 0 401.554 5.700 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000021893170 568759763 /nfs/dbraw/zinc/75/97/63/568759763.db2.gz GIVVKJFAUHFIJP-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000021893173 568759777 /nfs/dbraw/zinc/75/97/77/568759777.db2.gz GIVVKJFAUHFIJP-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000021893178 568759753 /nfs/dbraw/zinc/75/97/53/568759753.db2.gz GVCNSLKBEXIEEM-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000021893183 568759760 /nfs/dbraw/zinc/75/97/60/568759760.db2.gz GVCNSLKBEXIEEM-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000021893205 568759741 /nfs/dbraw/zinc/75/97/41/568759741.db2.gz CSONIQIIUPIVKA-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000021893209 568759765 /nfs/dbraw/zinc/75/97/65/568759765.db2.gz CSONIQIIUPIVKA-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)c1 ZINC000021893221 568759788 /nfs/dbraw/zinc/75/97/88/568759788.db2.gz FVHQLZHHNAVWHB-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cccc(C)c2C)c1 ZINC000021893225 568759773 /nfs/dbraw/zinc/75/97/73/568759773.db2.gz FVHQLZHHNAVWHB-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000021893236 568759759 /nfs/dbraw/zinc/75/97/59/568759759.db2.gz FPHKXMAHNMKRMR-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000021893240 568759790 /nfs/dbraw/zinc/75/97/90/568759790.db2.gz FPHKXMAHNMKRMR-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)c1 ZINC000021893245 568759784 /nfs/dbraw/zinc/75/97/84/568759784.db2.gz JPISFGPQAUAVCV-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)ccc2C)c1 ZINC000021893250 568759752 /nfs/dbraw/zinc/75/97/52/568759752.db2.gz JPISFGPQAUAVCV-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000021893254 568759782 /nfs/dbraw/zinc/75/97/82/568759782.db2.gz NSGISVMHIBNWCO-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000021893258 568759781 /nfs/dbraw/zinc/75/97/81/568759781.db2.gz NSGISVMHIBNWCO-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)c1 ZINC000021893285 568759774 /nfs/dbraw/zinc/75/97/74/568759774.db2.gz DMVNAVMSWPMSEC-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2C)c1 ZINC000021893289 568759770 /nfs/dbraw/zinc/75/97/70/568759770.db2.gz DMVNAVMSWPMSEC-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000021893301 568759761 /nfs/dbraw/zinc/75/97/61/568759761.db2.gz OIMVOVMZLOSGHV-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000021893305 568759778 /nfs/dbraw/zinc/75/97/78/568759778.db2.gz OIMVOVMZLOSGHV-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000021893351 568759772 /nfs/dbraw/zinc/75/97/72/568759772.db2.gz NTURQRPVCDPCIU-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000021893355 568759789 /nfs/dbraw/zinc/75/97/89/568759789.db2.gz NTURQRPVCDPCIU-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)c1 ZINC000021893374 568759758 /nfs/dbraw/zinc/75/97/58/568759758.db2.gz LDMODFMCCVJLGU-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(C)cc2C)c1 ZINC000021893378 568759794 /nfs/dbraw/zinc/75/97/94/568759794.db2.gz LDMODFMCCVJLGU-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)c1 ZINC000021893381 568759780 /nfs/dbraw/zinc/75/97/80/568759780.db2.gz POOCGWUSHXEONC-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccc(F)cc2)c1 ZINC000021893385 568759750 /nfs/dbraw/zinc/75/97/50/568759750.db2.gz POOCGWUSHXEONC-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)c1 ZINC000021893405 568759769 /nfs/dbraw/zinc/75/97/69/568759769.db2.gz SSBFHVBHZHYOMJ-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2F)c1 ZINC000021893409 568759783 /nfs/dbraw/zinc/75/97/83/568759783.db2.gz SSBFHVBHZHYOMJ-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)c1 ZINC000021893421 568759764 /nfs/dbraw/zinc/75/97/64/568759764.db2.gz ZSWVVFHKRAOABS-SANMLTNESA-N 0 0 407.517 5.601 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccccc2)c1 ZINC000021893425 568759749 /nfs/dbraw/zinc/75/97/49/568759749.db2.gz ZSWVVFHKRAOABS-AREMUKBSSA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000021893460 568759757 /nfs/dbraw/zinc/75/97/57/568759757.db2.gz GHTIJLKKJFNBAQ-MHZLTWQESA-N 0 0 421.544 5.909 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000021893464 568759776 /nfs/dbraw/zinc/75/97/76/568759776.db2.gz GHTIJLKKJFNBAQ-HHHXNRCGSA-N 0 0 421.544 5.909 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)c1 ZINC000021893468 568759771 /nfs/dbraw/zinc/75/97/71/568759771.db2.gz PQVUHUQKJPWSQD-MHZLTWQESA-N 0 0 421.544 5.643 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCc2ccccc2)c1 ZINC000021893472 568759787 /nfs/dbraw/zinc/75/97/87/568759787.db2.gz PQVUHUQKJPWSQD-HHHXNRCGSA-N 0 0 421.544 5.643 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893540 568759792 /nfs/dbraw/zinc/75/97/92/568759792.db2.gz UYZMWMYBHAHGMG-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893544 568759754 /nfs/dbraw/zinc/75/97/54/568759754.db2.gz UYZMWMYBHAHGMG-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893731 568759928 /nfs/dbraw/zinc/75/99/28/568759928.db2.gz HNSZXZZMTNECFW-QHCPKHFHSA-N 0 0 423.944 5.172 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893735 568759953 /nfs/dbraw/zinc/75/99/53/568759953.db2.gz HNSZXZZMTNECFW-HSZRJFAPSA-N 0 0 423.944 5.172 50 0 HKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893774 568759962 /nfs/dbraw/zinc/75/99/62/568759962.db2.gz IHVBGIUZRAJUGL-QHCPKHFHSA-N 0 0 407.945 5.791 50 0 HKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893778 568759888 /nfs/dbraw/zinc/75/98/88/568759888.db2.gz IHVBGIUZRAJUGL-HSZRJFAPSA-N 0 0 407.945 5.791 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893799 568759916 /nfs/dbraw/zinc/75/99/16/568759916.db2.gz FLQOUBBYHUQMLN-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021893803 568759954 /nfs/dbraw/zinc/75/99/54/568759954.db2.gz FLQOUBBYHUQMLN-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021894003 568759923 /nfs/dbraw/zinc/75/99/23/568759923.db2.gz MVNLFDFRNBMXSH-QHCPKHFHSA-N 0 0 405.929 5.688 50 0 HKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021894006 568759930 /nfs/dbraw/zinc/75/99/30/568759930.db2.gz MVNLFDFRNBMXSH-HSZRJFAPSA-N 0 0 405.929 5.688 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021894018 568759879 /nfs/dbraw/zinc/75/98/79/568759879.db2.gz RZNHLRUCKHEFJI-QHCPKHFHSA-N 0 0 423.944 5.172 50 0 HKAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021894021 568759914 /nfs/dbraw/zinc/75/99/14/568759914.db2.gz RZNHLRUCKHEFJI-HSZRJFAPSA-N 0 0 423.944 5.172 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021894042 568759963 /nfs/dbraw/zinc/75/99/63/568759963.db2.gz ANZKZCTXJCRYGF-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021894047 568759957 /nfs/dbraw/zinc/75/99/57/568759957.db2.gz ANZKZCTXJCRYGF-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c1 ZINC000021894051 568759884 /nfs/dbraw/zinc/75/98/84/568759884.db2.gz LCMOPJORWCOYGH-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c1 ZINC000021894056 568759902 /nfs/dbraw/zinc/75/99/02/568759902.db2.gz LCMOPJORWCOYGH-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1 ZINC000021894076 568759886 /nfs/dbraw/zinc/75/98/86/568759886.db2.gz AMWFIOHHJIZYPN-MHZLTWQESA-N 0 0 421.544 6.485 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1 ZINC000021894080 568759894 /nfs/dbraw/zinc/75/98/94/568759894.db2.gz AMWFIOHHJIZYPN-HHHXNRCGSA-N 0 0 421.544 6.485 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c1C ZINC000021894090 568759898 /nfs/dbraw/zinc/75/98/98/568759898.db2.gz KITXHSQAWGVMOM-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c1C ZINC000021894094 568759958 /nfs/dbraw/zinc/75/99/58/568759958.db2.gz KITXHSQAWGVMOM-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c1 ZINC000021894115 568759950 /nfs/dbraw/zinc/75/99/50/568759950.db2.gz LWNCVFFKPDZGTG-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c1 ZINC000021894119 568759937 /nfs/dbraw/zinc/75/99/37/568759937.db2.gz LWNCVFFKPDZGTG-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c1 ZINC000021894123 568759913 /nfs/dbraw/zinc/75/99/13/568759913.db2.gz DMPVODTUJCIUIT-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c1 ZINC000021894126 568759955 /nfs/dbraw/zinc/75/99/55/568759955.db2.gz DMPVODTUJCIUIT-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021894153 568759890 /nfs/dbraw/zinc/75/98/90/568759890.db2.gz RFKCVPJQFKFSOC-SANMLTNESA-N 0 0 407.517 6.231 50 0 HKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1C ZINC000021894156 568759909 /nfs/dbraw/zinc/75/99/09/568759909.db2.gz RFKCVPJQFKFSOC-AREMUKBSSA-N 0 0 407.517 6.231 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1 ZINC000021894167 568759892 /nfs/dbraw/zinc/75/98/92/568759892.db2.gz ZEMSHCCDNJFBCX-SANMLTNESA-N 0 0 423.516 5.931 50 0 HKAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1 ZINC000021894172 568759943 /nfs/dbraw/zinc/75/99/43/568759943.db2.gz ZEMSHCCDNJFBCX-AREMUKBSSA-N 0 0 423.516 5.931 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)c(C)c1 ZINC000021894240 568759922 /nfs/dbraw/zinc/75/99/22/568759922.db2.gz KSOKAQYOWXYBPP-MHZLTWQESA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)c(C)c1 ZINC000021894244 568759961 /nfs/dbraw/zinc/75/99/61/568759961.db2.gz KSOKAQYOWXYBPP-HHHXNRCGSA-N 0 0 421.544 6.540 50 0 HKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)cc1 ZINC000021894247 568759935 /nfs/dbraw/zinc/75/99/35/568759935.db2.gz CORFHMRDWRAJHC-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)cc1 ZINC000021894251 568759945 /nfs/dbraw/zinc/75/99/45/568759945.db2.gz CORFHMRDWRAJHC-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1F ZINC000021894264 568759904 /nfs/dbraw/zinc/75/99/04/568759904.db2.gz FOFFRSTVUUBIKI-VWLOTQADSA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1F ZINC000021894268 568759882 /nfs/dbraw/zinc/75/98/82/568759882.db2.gz FOFFRSTVUUBIKI-RUZDIDTESA-N 0 0 411.480 6.062 50 0 HKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1ccccc1 ZINC000021894273 568759906 /nfs/dbraw/zinc/75/99/06/568759906.db2.gz NNKPFKSYNGVLIR-SANMLTNESA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1ccccc1 ZINC000021894276 568759960 /nfs/dbraw/zinc/75/99/60/568759960.db2.gz NNKPFKSYNGVLIR-AREMUKBSSA-N 0 0 407.517 5.601 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2C)cc1 ZINC000021894319 568760109 /nfs/dbraw/zinc/76/01/09/568760109.db2.gz HUJJBVPIESZUNM-MHZLTWQESA-N 0 0 421.544 5.909 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2C)cc1 ZINC000021894323 568760055 /nfs/dbraw/zinc/76/00/55/568760055.db2.gz HUJJBVPIESZUNM-HHHXNRCGSA-N 0 0 421.544 5.909 50 0 HKAARN Cc1ccccc1[C@H]1c2cccn2-c2ccccc2CN1C(=O)NCCc1ccccc1 ZINC000021894327 568760121 /nfs/dbraw/zinc/76/01/21/568760121.db2.gz UBOMKJIMNRCMDK-MHZLTWQESA-N 0 0 421.544 5.643 50 0 HKAARN Cc1ccccc1[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCCc1ccccc1 ZINC000021894331 568760069 /nfs/dbraw/zinc/76/00/69/568760069.db2.gz UBOMKJIMNRCMDK-HHHXNRCGSA-N 0 0 421.544 5.643 50 0 HKAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000021894775 558454501 /nfs/dbraw/zinc/45/45/01/558454501.db2.gz SFJDVBSJWPBHRQ-GOSISDBHSA-N 0 0 422.868 5.205 50 0 HKAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000021894778 558454473 /nfs/dbraw/zinc/45/44/73/558454473.db2.gz SFJDVBSJWPBHRQ-SFHVURJKSA-N 0 0 422.868 5.205 50 0 HKAARN COc1ccccc1[C@@H](C)NC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 ZINC000021894982 558454508 /nfs/dbraw/zinc/45/45/08/558454508.db2.gz BXPGPBMZIINELX-GOSISDBHSA-N 0 0 406.526 5.359 50 0 HKAARN COc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 ZINC000021894984 558454502 /nfs/dbraw/zinc/45/45/02/558454502.db2.gz BXPGPBMZIINELX-SFHVURJKSA-N 0 0 406.526 5.359 50 0 HKAARN COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F ZINC000021897794 558454485 /nfs/dbraw/zinc/45/44/85/558454485.db2.gz UAPRTQIOPYEEMI-QGZVFWFLSA-N 0 0 424.516 5.498 50 0 HKAARN COc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F ZINC000021897797 558454506 /nfs/dbraw/zinc/45/45/06/558454506.db2.gz UAPRTQIOPYEEMI-KRWDZBQOSA-N 0 0 424.516 5.498 50 0 HKAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000021899268 558454810 /nfs/dbraw/zinc/45/48/10/558454810.db2.gz USTCHTJPGLIBLL-UHFFFAOYSA-N 0 0 412.493 5.190 50 0 HKAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2)c1C(=O)N1CCCCC1 ZINC000021900898 568760104 /nfs/dbraw/zinc/76/01/04/568760104.db2.gz OKWKWLHBKPTJJQ-UHFFFAOYSA-N 0 0 404.535 5.602 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000021901360 558454815 /nfs/dbraw/zinc/45/48/15/558454815.db2.gz YGZRCUFHTUKNTC-OAHLLOKOSA-N 0 0 408.523 5.402 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000021901362 558454774 /nfs/dbraw/zinc/45/47/74/558454774.db2.gz YGZRCUFHTUKNTC-HNNXBMFYSA-N 0 0 408.523 5.402 50 0 HKAARN O=c1[nH]c(CN2CCc3sccc3[C@@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021902155 558454986 /nfs/dbraw/zinc/45/49/86/558454986.db2.gz QQQUBJHELHBUSB-LJQANCHMSA-N 0 0 413.955 5.260 50 0 HKAARN O=c1[nH]c(CN2CCc3sccc3[C@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021902157 558455009 /nfs/dbraw/zinc/45/50/09/558455009.db2.gz QQQUBJHELHBUSB-IBGZPJMESA-N 0 0 413.955 5.260 50 0 HKAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1c(Cl)cccc1Cl ZINC000021902616 568760111 /nfs/dbraw/zinc/76/01/11/568760111.db2.gz MYEHARJNDVIPMT-UHFFFAOYSA-N 0 0 418.251 5.381 50 0 HKAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000021904458 558455100 /nfs/dbraw/zinc/45/51/00/558455100.db2.gz LKCPJHIPEMDIQK-MRXNPFEDSA-N 0 0 408.885 5.091 50 0 HKAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000021904461 558455052 /nfs/dbraw/zinc/45/50/52/558455052.db2.gz LKCPJHIPEMDIQK-INIZCTEOSA-N 0 0 408.885 5.091 50 0 HKAARN C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000021905863 524654948 /nfs/dbraw/zinc/65/49/48/524654948.db2.gz AFSNHCDHBLMUDE-FDDCHVKYSA-N 0 0 420.940 5.121 50 0 HKAARN C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000021905867 524386524 /nfs/dbraw/zinc/38/65/24/524386524.db2.gz AFSNHCDHBLMUDE-WZONZLPQSA-N 0 0 420.940 5.121 50 0 HKAARN C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000021905870 524657645 /nfs/dbraw/zinc/65/76/45/524657645.db2.gz AFSNHCDHBLMUDE-MBSDFSHPSA-N 0 0 420.940 5.121 50 0 HKAARN C[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000021905872 524387232 /nfs/dbraw/zinc/38/72/32/524387232.db2.gz AFSNHCDHBLMUDE-JPYJTQIMSA-N 0 0 420.940 5.121 50 0 HKAARN COc1ccc2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)nc2c1 ZINC000021913595 568472568 /nfs/dbraw/zinc/47/25/68/568472568.db2.gz SBZZLWQTSOWDGR-UHFFFAOYSA-N 0 0 417.534 5.181 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1-c1ccc(F)cc1 ZINC000021914079 558977176 /nfs/dbraw/zinc/97/71/76/558977176.db2.gz NHDKZQGUIGVMNH-UHFFFAOYSA-N 0 0 408.864 5.366 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3C)c2C)c1-c1ccc(F)cc1 ZINC000021914141 558971336 /nfs/dbraw/zinc/97/13/36/558971336.db2.gz VRLAFYPLCBELCT-UHFFFAOYSA-N 0 0 408.864 5.366 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000021914145 558971268 /nfs/dbraw/zinc/97/12/68/558971268.db2.gz NODTWDYUXQXCDM-UHFFFAOYSA-N 0 0 408.864 5.366 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1-c1ccc(F)cc1 ZINC000021914159 558971316 /nfs/dbraw/zinc/97/13/16/558971316.db2.gz QXUGEMXNEIWYHY-UHFFFAOYSA-N 0 0 408.864 5.366 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000021914193 558971347 /nfs/dbraw/zinc/97/13/47/558971347.db2.gz PUXCRILCCNSZRQ-UHFFFAOYSA-N 0 0 402.473 5.275 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C(C)C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000021914203 558971334 /nfs/dbraw/zinc/97/13/34/558971334.db2.gz QRRVPGLSNWVLQF-UHFFFAOYSA-N 0 0 402.473 5.528 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000021914213 558971298 /nfs/dbraw/zinc/97/12/98/558971298.db2.gz OCBMVFDIAXWXSM-UHFFFAOYSA-N 0 0 424.863 5.067 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3C)c2C)c1-c1cccc(C)c1 ZINC000021914336 558971514 /nfs/dbraw/zinc/97/15/14/558971514.db2.gz DVZLKFGTWMOXKG-UHFFFAOYSA-N 0 0 404.901 5.536 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1-c1cccc(C)c1 ZINC000021914340 558971440 /nfs/dbraw/zinc/97/14/40/558971440.db2.gz XAOAGFRBKMYCFY-UHFFFAOYSA-N 0 0 404.901 5.536 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3C)c2C)c1-c1cccc(C)c1 ZINC000021914421 558971411 /nfs/dbraw/zinc/97/14/11/558971411.db2.gz PFRUBMNPRIFHDZ-UHFFFAOYSA-N 0 0 404.901 5.536 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1cccc(C)c1 ZINC000021914427 558971467 /nfs/dbraw/zinc/97/14/67/558971467.db2.gz CMKZXRKCFQSTQZ-UHFFFAOYSA-N 0 0 404.901 5.536 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1-c1cccc(C)c1 ZINC000021914458 558971431 /nfs/dbraw/zinc/97/14/31/558971431.db2.gz LSFCXURYLZHHMY-UHFFFAOYSA-N 0 0 404.901 5.536 50 0 HKAARN COc1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1Cl ZINC000021914512 558971450 /nfs/dbraw/zinc/97/14/50/558971450.db2.gz RPNCOVCTRYBOSV-UHFFFAOYSA-N 0 0 420.900 5.236 50 0 HKAARN Cc1nn2c(ncc(C(=O)N3CCC(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000021914629 558971458 /nfs/dbraw/zinc/97/14/58/558971458.db2.gz LPNOZGJGUUEAJF-UHFFFAOYSA-N 0 0 424.548 5.108 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccccc1 ZINC000021914650 558971421 /nfs/dbraw/zinc/97/14/21/558971421.db2.gz BMDIVQCKZWQPIY-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Br)c2C)c1-c1ccccc1 ZINC000021914672 558971472 /nfs/dbraw/zinc/97/14/72/558971472.db2.gz ROEIJXYYAFMAMY-UHFFFAOYSA-N 0 0 421.298 5.028 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021914869 558971454 /nfs/dbraw/zinc/97/14/54/558971454.db2.gz BIRAWVKXXGWQAD-UHFFFAOYSA-N 0 0 420.900 5.236 50 0 HKAARN O=C(NCCC1=CCCCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914931 558971687 /nfs/dbraw/zinc/97/16/87/558971687.db2.gz RDZBUSMSBFMUCP-UHFFFAOYSA-N 0 0 417.553 5.144 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914945 558971746 /nfs/dbraw/zinc/97/17/46/558971746.db2.gz BMEZJCMZAMZNQD-UHFFFAOYSA-N 0 0 419.912 5.429 50 0 HKAARN CCc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000021915135 558971726 /nfs/dbraw/zinc/97/17/26/558971726.db2.gz MFHTYQZJZLIESJ-UHFFFAOYSA-N 0 0 413.521 5.338 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000021915192 558971614 /nfs/dbraw/zinc/97/16/14/558971614.db2.gz GKUYLLIYPIFIKW-HNNXBMFYSA-N 0 0 401.428 5.629 50 0 HKAARN CCc1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915251 558971662 /nfs/dbraw/zinc/97/16/62/558971662.db2.gz PMRRULABMNZZSP-UHFFFAOYSA-N 0 0 413.521 5.338 50 0 HKAARN CCc1ccccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915297 558971623 /nfs/dbraw/zinc/97/16/23/558971623.db2.gz KTTZEYDMGUJDOM-UHFFFAOYSA-N 0 0 413.521 5.338 50 0 HKAARN O=C(Nc1ccccc1Cl)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915311 558971863 /nfs/dbraw/zinc/97/18/63/558971863.db2.gz HZZJZZPGBRAYJH-UHFFFAOYSA-N 0 0 419.912 5.429 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915316 558971930 /nfs/dbraw/zinc/97/19/30/558971930.db2.gz DNNSYZSPTOVKSH-UHFFFAOYSA-N 0 0 419.912 5.429 50 0 HKAARN O=C(Nc1cc(F)ccc1F)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915336 558971860 /nfs/dbraw/zinc/97/18/60/558971860.db2.gz BZKNNQDICKHBKX-UHFFFAOYSA-N 0 0 421.447 5.054 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915442 558971880 /nfs/dbraw/zinc/97/18/80/558971880.db2.gz IUZHUOWLTYFJCH-UHFFFAOYSA-N 0 0 413.521 5.392 50 0 HKAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1C ZINC000021915448 558971899 /nfs/dbraw/zinc/97/18/99/558971899.db2.gz NUFFCOOCLSUQMP-UHFFFAOYSA-N 0 0 413.521 5.392 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915477 558971926 /nfs/dbraw/zinc/97/19/26/558971926.db2.gz DLQQRQSQTSQUCM-UHFFFAOYSA-N 0 0 413.521 5.392 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000021915480 558455351 /nfs/dbraw/zinc/45/53/51/558455351.db2.gz OTEOZLWIIJSTIY-CYBMUJFWSA-N 0 0 419.308 5.308 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000021915485 558455317 /nfs/dbraw/zinc/45/53/17/558455317.db2.gz OTEOZLWIIJSTIY-ZDUSSCGKSA-N 0 0 419.308 5.308 50 0 HKAARN Cc1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1C ZINC000021915540 558971950 /nfs/dbraw/zinc/97/19/50/558971950.db2.gz XGUUELMAIXJMOC-UHFFFAOYSA-N 0 0 413.521 5.392 50 0 HKAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c(C)c1 ZINC000021915544 558971856 /nfs/dbraw/zinc/97/18/56/558971856.db2.gz PPUOOQIKZUCHGG-UHFFFAOYSA-N 0 0 413.521 5.392 50 0 HKAARN C[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Cl ZINC000021915767 558971902 /nfs/dbraw/zinc/97/19/02/558971902.db2.gz LYWQWPOEIUYNDQ-OAHLLOKOSA-N 0 0 419.868 5.463 50 0 HKAARN C[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Cl ZINC000021915771 558971912 /nfs/dbraw/zinc/97/19/12/558971912.db2.gz LYWQWPOEIUYNDQ-HNNXBMFYSA-N 0 0 419.868 5.463 50 0 HKAARN COc1cccc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000021915943 558971830 /nfs/dbraw/zinc/97/18/30/558971830.db2.gz NFGHLEWNEAMFQQ-UHFFFAOYSA-N 0 0 415.493 5.322 50 0 HKAARN COc1ccc(NC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000021915947 558971843 /nfs/dbraw/zinc/97/18/43/558971843.db2.gz PONLWUNOGVHBBO-UHFFFAOYSA-N 0 0 415.493 5.322 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021915951 558971886 /nfs/dbraw/zinc/97/18/86/558971886.db2.gz BOVXZMQROJXWLU-UHFFFAOYSA-N 0 0 419.912 5.967 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021915969 558972153 /nfs/dbraw/zinc/97/21/53/558972153.db2.gz IZXUXYINFOENHO-UHFFFAOYSA-N 0 0 413.521 5.876 50 0 HKAARN Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CCc4ccccc4C3)o2)cc1 ZINC000021916563 571315229 /nfs/dbraw/zinc/31/52/29/571315229.db2.gz GOZOCIAENCFFCM-QFIPXVFZSA-N 0 0 401.897 5.538 50 0 HKAARN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCc4ccccc4C3)o2)cc1 ZINC000021916568 571315222 /nfs/dbraw/zinc/31/52/22/571315222.db2.gz GOZOCIAENCFFCM-JOCHJYFZSA-N 0 0 401.897 5.538 50 0 HKAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000021917228 558972328 /nfs/dbraw/zinc/97/23/28/558972328.db2.gz XWJXAJGOBQYUIT-UHFFFAOYSA-N 0 0 411.505 5.129 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000021917957 558972334 /nfs/dbraw/zinc/97/23/34/558972334.db2.gz QBNVQZAVPVXBAM-QFIPXVFZSA-N 0 0 405.567 5.441 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000021917962 558972279 /nfs/dbraw/zinc/97/22/79/558972279.db2.gz QBNVQZAVPVXBAM-JOCHJYFZSA-N 0 0 405.567 5.441 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000021918055 558972275 /nfs/dbraw/zinc/97/22/75/558972275.db2.gz KZDMQMJJCZSFJD-QHCPKHFHSA-N 0 0 419.594 5.749 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)cc1 ZINC000021918061 558972305 /nfs/dbraw/zinc/97/23/05/558972305.db2.gz KZDMQMJJCZSFJD-HSZRJFAPSA-N 0 0 419.594 5.749 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(C)c1)CCCC3 ZINC000021918854 568760307 /nfs/dbraw/zinc/76/03/07/568760307.db2.gz KVRFGCVXYWEGCM-QHCPKHFHSA-N 0 0 419.594 5.751 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(C)c1)CCCC3 ZINC000021918860 568760219 /nfs/dbraw/zinc/76/02/19/568760219.db2.gz KVRFGCVXYWEGCM-HSZRJFAPSA-N 0 0 419.594 5.751 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000021918864 568760277 /nfs/dbraw/zinc/76/02/77/568760277.db2.gz BYDQMBBJIROROD-QHCPKHFHSA-N 0 0 419.594 5.749 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC(C)C)CCCC4)c1 ZINC000021918870 568760250 /nfs/dbraw/zinc/76/02/50/568760250.db2.gz BYDQMBBJIROROD-HSZRJFAPSA-N 0 0 419.594 5.749 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000021918875 568760294 /nfs/dbraw/zinc/76/02/94/568760294.db2.gz BRLORVBUFNWTOY-HXUWFJFHSA-N 0 0 411.596 5.504 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000021918880 568760297 /nfs/dbraw/zinc/76/02/97/568760297.db2.gz BRLORVBUFNWTOY-FQEVSTJZSA-N 0 0 411.596 5.504 50 0 HKAARN CC(C)[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccccc1)CCCC3 ZINC000021918906 568760222 /nfs/dbraw/zinc/76/02/22/568760222.db2.gz OEJHNWVDIPQLOM-QHCPKHFHSA-N 0 0 419.594 5.840 50 0 HKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccccc1)CCCC3 ZINC000021918910 568760309 /nfs/dbraw/zinc/76/03/09/568760309.db2.gz OEJHNWVDIPQLOM-HSZRJFAPSA-N 0 0 419.594 5.840 50 0 HKAARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000021918956 568760474 /nfs/dbraw/zinc/76/04/74/568760474.db2.gz NHYOFJNVKSCACT-HNNXBMFYSA-N 0 0 407.539 5.535 50 0 HKAARN COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000021918963 568760483 /nfs/dbraw/zinc/76/04/83/568760483.db2.gz NHYOFJNVKSCACT-OAHLLOKOSA-N 0 0 407.539 5.535 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000021922954 568760934 /nfs/dbraw/zinc/76/09/34/568760934.db2.gz DYQJZZYSEUYRML-UHFFFAOYSA-N 0 0 424.426 5.791 50 0 HKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c(C)c1 ZINC000021923017 568760964 /nfs/dbraw/zinc/76/09/64/568760964.db2.gz KOWLDKKBUKKVKL-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923022 568760937 /nfs/dbraw/zinc/76/09/37/568760937.db2.gz CUYLDQXGLWRWHM-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1F ZINC000021923057 568760921 /nfs/dbraw/zinc/76/09/21/568760921.db2.gz OZQZUMBMJZOVBO-UHFFFAOYSA-N 0 0 414.362 5.115 50 0 HKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1C ZINC000021923076 568760971 /nfs/dbraw/zinc/76/09/71/568760971.db2.gz SISXVHMMMOSLBS-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN Cc1cc(F)ccc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923083 568761062 /nfs/dbraw/zinc/76/10/62/568761062.db2.gz MATRJEUXXWSFQR-UHFFFAOYSA-N 0 0 414.362 5.115 50 0 HKAARN CCc1cccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c1 ZINC000021923089 568761012 /nfs/dbraw/zinc/76/10/12/568761012.db2.gz QLKCBOFAHBWVHN-UHFFFAOYSA-N 0 0 410.399 5.230 50 0 HKAARN C[C@@H](NC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1)c1ccccc1 ZINC000021923157 568760968 /nfs/dbraw/zinc/76/09/68/568760968.db2.gz RBLOVHIHIBSMJN-LJQANCHMSA-N 0 0 418.500 5.554 50 0 HKAARN C[C@H](NC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1)c1ccccc1 ZINC000021923164 568760997 /nfs/dbraw/zinc/76/09/97/568760997.db2.gz RBLOVHIHIBSMJN-IBGZPJMESA-N 0 0 418.500 5.554 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000021923199 568760974 /nfs/dbraw/zinc/76/09/74/568760974.db2.gz LPJLDLFTLKKGSE-UHFFFAOYSA-N 0 0 418.500 5.336 50 0 HKAARN Cc1ccc(CNC(=O)c2cnn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000021923255 568761039 /nfs/dbraw/zinc/76/10/39/568761039.db2.gz FVQOVJAYTVNISP-UHFFFAOYSA-N 0 0 418.500 5.302 50 0 HKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000021925375 568761253 /nfs/dbraw/zinc/76/12/53/568761253.db2.gz MQMVRNOCIURROY-MRXNPFEDSA-N 0 0 417.130 5.251 50 0 HKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000021925380 568761263 /nfs/dbraw/zinc/76/12/63/568761263.db2.gz MQMVRNOCIURROY-INIZCTEOSA-N 0 0 417.130 5.251 50 0 HKAARN CC(=O)c1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)s1 ZINC000021925403 568472491 /nfs/dbraw/zinc/47/24/91/568472491.db2.gz NEEOPDWYPRVYFT-UHFFFAOYSA-N 0 0 418.312 5.245 50 0 HKAARN COc1ccc(OCCN(C)C(=O)c2ccccc2SCc2cccs2)cc1 ZINC000021927591 568761102 /nfs/dbraw/zinc/76/11/02/568761102.db2.gz VTBRXHHYNUAIBG-UHFFFAOYSA-N 0 0 413.564 5.200 50 0 HKAARN COc1ccccc1-c1nn(-c2c(C)cccc2C)c2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000021928359 568761558 /nfs/dbraw/zinc/76/15/58/568761558.db2.gz JORXDXXZHYGAAP-UHFFFAOYSA-N 0 0 413.399 5.025 50 0 HKAARN COc1c(Cl)cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1Cl ZINC000021928442 568761625 /nfs/dbraw/zinc/76/16/25/568761625.db2.gz YBTISRNOSIYKAA-UHFFFAOYSA-N 0 0 418.324 5.077 50 0 HKAARN O=C(c1ccccc1SCc1cccs1)N1CCN(Cc2cccs2)CC1 ZINC000021929704 558455884 /nfs/dbraw/zinc/45/58/84/558455884.db2.gz PLORVWYACWLWNW-UHFFFAOYSA-N 0 0 414.621 5.060 50 0 HKAARN O=C(c1ccccc1SCc1ccsc1)N1CCN(Cc2cccs2)CC1 ZINC000021929813 558455961 /nfs/dbraw/zinc/45/59/61/558455961.db2.gz RRLMEXMVWJNXQH-UHFFFAOYSA-N 0 0 414.621 5.060 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000021932148 558455982 /nfs/dbraw/zinc/45/59/82/558455982.db2.gz VVFIISYZUCWGBW-LJQANCHMSA-N 0 0 422.847 5.440 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000021932152 558455845 /nfs/dbraw/zinc/45/58/45/558455845.db2.gz VVFIISYZUCWGBW-IBGZPJMESA-N 0 0 422.847 5.440 50 0 HKAARN COc1ccc(OC)c(CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)c1 ZINC000021933168 568761666 /nfs/dbraw/zinc/76/16/66/568761666.db2.gz UPBORVYWSWHQSS-UHFFFAOYSA-N 0 0 411.914 5.641 50 0 HKAARN COc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)c(OC)c1 ZINC000021933213 568761674 /nfs/dbraw/zinc/76/16/74/568761674.db2.gz RLDZNDKTERCSRX-UHFFFAOYSA-N 0 0 411.914 5.641 50 0 HKAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3ccc(OC(C)C)cc3)c2c1 ZINC000021934492 568761885 /nfs/dbraw/zinc/76/18/85/568761885.db2.gz PPLJTYBHLGNTAC-UHFFFAOYSA-N 0 0 411.505 5.322 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934877 568761887 /nfs/dbraw/zinc/76/18/87/568761887.db2.gz FKLJABYKBCWIAK-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934881 568761968 /nfs/dbraw/zinc/76/19/68/568761968.db2.gz ACXHBWZVWNPYIJ-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN O=C(NCCCc1ccccc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934888 568761948 /nfs/dbraw/zinc/76/19/48/568761948.db2.gz NKIZCWIFOJOWEH-UHFFFAOYSA-N 0 0 401.897 5.313 50 0 HKAARN CCOc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934918 568761915 /nfs/dbraw/zinc/76/19/15/568761915.db2.gz QWFMMOLJDHQYST-UHFFFAOYSA-N 0 0 417.896 5.279 50 0 HKAARN CSc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1 ZINC000021934921 568762002 /nfs/dbraw/zinc/76/20/02/568762002.db2.gz ULDHIRYRHMVGQR-UHFFFAOYSA-N 0 0 419.937 5.602 50 0 HKAARN O=C(NCc1cccc(Cl)c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934928 568761865 /nfs/dbraw/zinc/76/18/65/568761865.db2.gz FLVIZQAYKBGDHG-UHFFFAOYSA-N 0 0 408.288 5.534 50 0 HKAARN O=C(Nc1ccccc1Br)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935076 558456259 /nfs/dbraw/zinc/45/62/59/558456259.db2.gz XKURUIOELYQAKV-UHFFFAOYSA-N 0 0 404.267 5.312 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935142 558456219 /nfs/dbraw/zinc/45/62/19/558456219.db2.gz OLVDQPCDQWCKHP-UHFFFAOYSA-N 0 0 422.257 5.451 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)ccc1Br ZINC000021935175 525240189 /nfs/dbraw/zinc/24/01/89/525240189.db2.gz IADVGWJMSAMPPE-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935212 526173278 /nfs/dbraw/zinc/17/32/78/526173278.db2.gz JASHQXSECFOONN-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935226 522517387 /nfs/dbraw/zinc/51/73/87/522517387.db2.gz LBVDBLMLXVWXDB-UHFFFAOYSA-N 0 0 403.869 5.520 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000021935234 521168181 /nfs/dbraw/zinc/16/81/81/521168181.db2.gz WGWQSRBYVSRRTN-UHFFFAOYSA-N 0 0 413.477 5.347 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935242 527157290 /nfs/dbraw/zinc/15/72/90/527157290.db2.gz ZRUWASCPSJADRZ-UHFFFAOYSA-N 0 0 404.267 5.312 50 0 HKAARN C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000021935245 525307309 /nfs/dbraw/zinc/30/73/09/525307309.db2.gz RBVWDEAAYBIYIR-IHAPDJFTSA-N 0 0 411.549 5.632 50 0 HKAARN C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000021935248 525193512 /nfs/dbraw/zinc/19/35/12/525193512.db2.gz RBVWDEAAYBIYIR-AWYKWWOESA-N 0 0 411.549 5.632 50 0 HKAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935285 568762051 /nfs/dbraw/zinc/76/20/51/568762051.db2.gz MZMHSWOAQLIPNW-UHFFFAOYSA-N 0 0 411.549 5.633 50 0 HKAARN COc1cc(Cl)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c(OC)c1 ZINC000021935294 568762144 /nfs/dbraw/zinc/76/21/44/568762144.db2.gz VBZCZCQWSDPKSD-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)c2c1 ZINC000021935305 568762138 /nfs/dbraw/zinc/76/21/38/568762138.db2.gz HPIFOBMELDYYBK-UHFFFAOYSA-N 0 0 406.489 5.059 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000021937160 558456136 /nfs/dbraw/zinc/45/61/36/558456136.db2.gz FVNSEFLCMLFVQX-UHFFFAOYSA-N 0 0 418.362 5.606 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000021937179 568762272 /nfs/dbraw/zinc/76/22/72/568762272.db2.gz BSIOEPGIKZKYBP-UHFFFAOYSA-N 0 0 413.955 5.274 50 0 HKAARN CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000021939352 568762884 /nfs/dbraw/zinc/76/28/84/568762884.db2.gz RQVKUOATVCHYFC-UHFFFAOYSA-N 0 0 407.466 5.314 50 0 HKAARN COc1ccc(OC)c(CNC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1 ZINC000021940249 568763119 /nfs/dbraw/zinc/76/31/19/568763119.db2.gz NOTXZRFLDNGNCJ-UHFFFAOYSA-N 0 0 422.868 5.095 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@@H]1c1ccc(C)cc1 ZINC000021941140 558979033 /nfs/dbraw/zinc/97/90/33/558979033.db2.gz RJXGDNMOENUYSI-AREMUKBSSA-N 0 0 407.473 5.449 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@H]1c1ccc(C)cc1 ZINC000021941143 558979062 /nfs/dbraw/zinc/97/90/62/558979062.db2.gz RJXGDNMOENUYSI-SANMLTNESA-N 0 0 407.473 5.449 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@@H]1c1cccc(F)c1 ZINC000021941176 558979053 /nfs/dbraw/zinc/97/90/53/558979053.db2.gz VKTCJVDLRZQEOY-RUZDIDTESA-N 0 0 411.436 5.280 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@H]1c1cccc(F)c1 ZINC000021941179 558979042 /nfs/dbraw/zinc/97/90/42/558979042.db2.gz VKTCJVDLRZQEOY-VWLOTQADSA-N 0 0 411.436 5.280 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@@H]1c1cccc(C)c1 ZINC000021941181 558979068 /nfs/dbraw/zinc/97/90/68/558979068.db2.gz FFHDBADVOVRHRF-AREMUKBSSA-N 0 0 407.473 5.449 50 0 HKAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@H]1c1cccc(C)c1 ZINC000021941184 558979040 /nfs/dbraw/zinc/97/90/40/558979040.db2.gz FFHDBADVOVRHRF-SANMLTNESA-N 0 0 407.473 5.449 50 0 HKAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(-c4ccccc4)nc4ccccc43)O2)cc1 ZINC000021941299 558979212 /nfs/dbraw/zinc/97/92/12/558979212.db2.gz OYVOGBXTUJVESJ-AREMUKBSSA-N 0 0 423.472 5.150 50 0 HKAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(-c4ccccc4)nc4ccccc43)O2)cc1 ZINC000021941302 558979241 /nfs/dbraw/zinc/97/92/41/558979241.db2.gz OYVOGBXTUJVESJ-SANMLTNESA-N 0 0 423.472 5.150 50 0 HKAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cc(-c4ccccc4)nc4ccccc43)O2)c1 ZINC000021941329 558979163 /nfs/dbraw/zinc/97/91/63/558979163.db2.gz PHELMXQOBWMIBO-AREMUKBSSA-N 0 0 423.472 5.150 50 0 HKAARN COc1cccc(C2=NN(C(C)=O)[C@H](c3cc(-c4ccccc4)nc4ccccc43)O2)c1 ZINC000021941332 558979205 /nfs/dbraw/zinc/97/92/05/558979205.db2.gz PHELMXQOBWMIBO-SANMLTNESA-N 0 0 423.472 5.150 50 0 HKAARN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cc(-c3ccccc3)nc3ccccc32)O1 ZINC000021941339 558979247 /nfs/dbraw/zinc/97/92/47/558979247.db2.gz AGIZYBUNZWTRAA-AREMUKBSSA-N 0 0 423.472 5.150 50 0 HKAARN COc1ccccc1C1=NN(C(C)=O)[C@H](c2cc(-c3ccccc3)nc3ccccc32)O1 ZINC000021941341 558979220 /nfs/dbraw/zinc/97/92/20/558979220.db2.gz AGIZYBUNZWTRAA-SANMLTNESA-N 0 0 423.472 5.150 50 0 HKAARN CC(=O)N1N=C(c2ccccc2C)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941356 558979174 /nfs/dbraw/zinc/97/91/74/558979174.db2.gz AYUXHWPJDSCEFS-AREMUKBSSA-N 0 0 407.473 5.449 50 0 HKAARN CC(=O)N1N=C(c2ccccc2C)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941359 558979224 /nfs/dbraw/zinc/97/92/24/558979224.db2.gz AYUXHWPJDSCEFS-SANMLTNESA-N 0 0 407.473 5.449 50 0 HKAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941373 558979153 /nfs/dbraw/zinc/97/91/53/558979153.db2.gz JPPYKXAYLBTFKU-RUZDIDTESA-N 0 0 411.436 5.280 50 0 HKAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941376 558979166 /nfs/dbraw/zinc/97/91/66/558979166.db2.gz JPPYKXAYLBTFKU-VWLOTQADSA-N 0 0 411.436 5.280 50 0 HKAARN CC(=O)N1N=C(c2sccc2C)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941425 558979228 /nfs/dbraw/zinc/97/92/28/558979228.db2.gz YVFYSZORDARITE-XMMPIXPASA-N 0 0 413.502 5.511 50 0 HKAARN CC(=O)N1N=C(c2sccc2C)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941428 558979244 /nfs/dbraw/zinc/97/92/44/558979244.db2.gz YVFYSZORDARITE-DEOSSOPVSA-N 0 0 413.502 5.511 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944483 558978478 /nfs/dbraw/zinc/97/84/78/558978478.db2.gz DQDSNCSTFMNYKI-UHFFFAOYSA-N 0 0 422.916 5.088 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1Cl ZINC000021944607 558978412 /nfs/dbraw/zinc/97/84/12/558978412.db2.gz GFRCEBWGAWJDIL-UHFFFAOYSA-N 0 0 424.907 5.527 50 0 biogenic HKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944624 558978386 /nfs/dbraw/zinc/97/83/86/558978386.db2.gz DKOCYWVQARLUAP-UHFFFAOYSA-N 0 0 424.907 5.527 50 0 biogenic HKAARN Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944636 558978366 /nfs/dbraw/zinc/97/83/66/558978366.db2.gz YUNYTSFDVOOMPQ-UHFFFAOYSA-N 0 0 424.907 5.527 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c(C)c1 ZINC000021944642 558978451 /nfs/dbraw/zinc/97/84/51/558978451.db2.gz SFTQDISXZXMVEV-UHFFFAOYSA-N 0 0 404.489 5.182 50 0 biogenic HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Br)cc1 ZINC000021944810 558978599 /nfs/dbraw/zinc/97/85/99/558978599.db2.gz GIIUEURAPDSLIJ-UHFFFAOYSA-N 0 0 418.294 5.554 50 0 HKAARN Cc1cccc(-c2cc(NC(=O)COc3ccc(F)cc3)n(-c3ccccc3)n2)c1 ZINC000021944842 558978653 /nfs/dbraw/zinc/97/86/53/558978653.db2.gz PALGHGSMTDLEHP-UHFFFAOYSA-N 0 0 401.441 5.004 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1OC ZINC000021944848 558978627 /nfs/dbraw/zinc/97/86/27/558978627.db2.gz BYAHOVLZJWQGEE-UHFFFAOYSA-N 0 0 413.477 5.117 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000021944879 558978631 /nfs/dbraw/zinc/97/86/31/558978631.db2.gz OBBAKZKKMNJAGL-UHFFFAOYSA-N 0 0 401.441 5.004 50 0 HKAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 ZINC000021944883 558978637 /nfs/dbraw/zinc/97/86/37/558978637.db2.gz WSOKOFDABIGWLC-UHFFFAOYSA-N 0 0 401.441 5.004 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000021944889 558978674 /nfs/dbraw/zinc/97/86/74/558978674.db2.gz SUAKDCGOCGFYHM-UHFFFAOYSA-N 0 0 421.859 5.349 50 0 HKAARN CCOc1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 ZINC000021944901 558978666 /nfs/dbraw/zinc/97/86/66/558978666.db2.gz WRBGALXHPJQOLS-UHFFFAOYSA-N 0 0 401.441 5.329 50 0 HKAARN O=C(COc1ccccc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000021944952 558978590 /nfs/dbraw/zinc/97/85/90/558978590.db2.gz TUSYQQBFRQPTNI-UHFFFAOYSA-N 0 0 403.869 5.210 50 0 HKAARN O=C(COc1ccc(F)cc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000021944955 558978622 /nfs/dbraw/zinc/97/86/22/558978622.db2.gz MWURUOQATAHVDP-UHFFFAOYSA-N 0 0 421.859 5.349 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000021944958 558978617 /nfs/dbraw/zinc/97/86/17/558978617.db2.gz IEXOBJAVPRWBKO-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN O=C(NCCSCc1ccsc1)c1ccccc1SCc1cccs1 ZINC000021963106 558982687 /nfs/dbraw/zinc/98/26/87/558982687.db2.gz OVNBHCHIMLZKRM-UHFFFAOYSA-N 0 0 405.635 5.765 50 0 HKAARN O=C(NCCSCc1ccsc1)c1ccccc1SCc1ccsc1 ZINC000021963141 558982677 /nfs/dbraw/zinc/98/26/77/558982677.db2.gz PJPFPPIFKKFSCI-UHFFFAOYSA-N 0 0 405.635 5.765 50 0 HKAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1sc2ccccc2c1Cl ZINC000021976072 527145236 /nfs/dbraw/zinc/14/52/36/527145236.db2.gz MSVPLNJCXDBLHA-HNNXBMFYSA-N 0 0 403.912 5.101 50 0 HKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1sc2ccccc2c1Cl ZINC000021976075 527187271 /nfs/dbraw/zinc/18/72/71/527187271.db2.gz MSVPLNJCXDBLHA-OAHLLOKOSA-N 0 0 403.912 5.101 50 0 HKAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ncc(Cl)c(Cl)c1Cl ZINC000021986748 558457104 /nfs/dbraw/zinc/45/71/04/558457104.db2.gz RADJJTPLGIIAAM-UHFFFAOYSA-N 0 0 419.051 5.102 50 0 HKAARN COc1ccc(SCCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 ZINC000022008883 558457559 /nfs/dbraw/zinc/45/75/59/558457559.db2.gz HSWYLRFGDCXATP-UHFFFAOYSA-N 0 0 410.564 5.199 50 0 HKAARN CCOC(=O)c1sc(/C=C/c2cc(F)cc3c2OCOC3)nc1-c1ccccc1 ZINC000022016390 568473415 /nfs/dbraw/zinc/47/34/15/568473415.db2.gz JUYJPTLXEVSWDJ-CMDGGOBGSA-N 0 0 411.454 5.163 50 0 HKAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000022018978 558984136 /nfs/dbraw/zinc/98/41/36/558984136.db2.gz ZRTHQBUJPPVYMO-FQEVSTJZSA-N 0 0 404.558 5.047 50 0 HKAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000022018980 558984161 /nfs/dbraw/zinc/98/41/61/558984161.db2.gz ZRTHQBUJPPVYMO-HXUWFJFHSA-N 0 0 404.558 5.047 50 0 HKAARN O=C(CSC1=Nc2ccccc2CS1)Nc1c(Cl)cccc1C(F)(F)F ZINC000022022006 558458338 /nfs/dbraw/zinc/45/83/38/558458338.db2.gz WWJOZZVPCQZVBE-UHFFFAOYSA-N 0 0 416.877 5.965 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSC1=Nc2ccccc2CS1 ZINC000022022192 558458526 /nfs/dbraw/zinc/45/85/26/558458526.db2.gz NZBXEELCUKKOBN-UHFFFAOYSA-N 0 0 408.552 5.095 50 0 HKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSC1=Nc2ccccc2CS1 ZINC000022022336 568764363 /nfs/dbraw/zinc/76/43/63/568764363.db2.gz JOONGTAVFIXWGP-UHFFFAOYSA-N 0 0 411.379 5.620 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N(C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022990 558779013 /nfs/dbraw/zinc/77/90/13/558779013.db2.gz IVZIFRIOBSMWOG-LKCKWYFFSA-N 0 0 423.572 6.483 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022991 558778940 /nfs/dbraw/zinc/77/89/40/558778940.db2.gz IVZIFRIOBSMWOG-PJYIVQDXSA-N 0 0 423.572 6.483 50 0 HKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cccs1 ZINC000022023136 558779018 /nfs/dbraw/zinc/77/90/18/558779018.db2.gz LHGUWSRGIZDSAI-UHFFFAOYSA-N 0 0 421.305 5.568 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccccc1F)CC2 ZINC000022023174 558458517 /nfs/dbraw/zinc/45/85/17/558458517.db2.gz GVPVIIHKTDPRGV-DEOSSOPVSA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccccc1F)CC2 ZINC000022023175 558458610 /nfs/dbraw/zinc/45/86/10/558458610.db2.gz GVPVIIHKTDPRGV-XMMPIXPASA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(O)cc1)CC2 ZINC000022023216 558458535 /nfs/dbraw/zinc/45/85/35/558458535.db2.gz SSXNYNXYSPXSPH-DEOSSOPVSA-N 0 0 409.913 5.211 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(O)cc1)CC2 ZINC000022023217 558458529 /nfs/dbraw/zinc/45/85/29/558458529.db2.gz SSXNYNXYSPXSPH-XMMPIXPASA-N 0 0 409.913 5.211 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccc(O)c1)CC2 ZINC000022023246 558458655 /nfs/dbraw/zinc/45/86/55/558458655.db2.gz PDGYCJFWVCZYMI-DEOSSOPVSA-N 0 0 409.913 5.211 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccc(O)c1)CC2 ZINC000022023247 558458547 /nfs/dbraw/zinc/45/85/47/558458547.db2.gz PDGYCJFWVCZYMI-XMMPIXPASA-N 0 0 409.913 5.211 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(F)cc1)CC2 ZINC000022023278 558458648 /nfs/dbraw/zinc/45/86/48/558458648.db2.gz COSRHOGHNKEADR-DEOSSOPVSA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(F)cc1)CC2 ZINC000022023279 558458573 /nfs/dbraw/zinc/45/85/73/558458573.db2.gz COSRHOGHNKEADR-XMMPIXPASA-N 0 0 411.904 5.644 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(C)cc1C)CC2 ZINC000022023290 558458585 /nfs/dbraw/zinc/45/85/85/558458585.db2.gz KIBIIUNWCPGPPH-SANMLTNESA-N 0 0 421.968 6.122 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(C)cc1C)CC2 ZINC000022023291 558458539 /nfs/dbraw/zinc/45/85/39/558458539.db2.gz KIBIIUNWCPGPPH-AREMUKBSSA-N 0 0 421.968 6.122 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000022023999 558458760 /nfs/dbraw/zinc/45/87/60/558458760.db2.gz KMCNMASHMWLYDG-UHFFFAOYSA-N 0 0 409.704 5.035 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1nc(-c2ccsc2)no1 ZINC000022025006 558985000 /nfs/dbraw/zinc/98/50/00/558985000.db2.gz FEMNZJWEXJDSKH-UHFFFAOYSA-N 0 0 410.886 5.316 50 0 HKAARN Clc1ccc([C@@H](c2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022026393 569042496 /nfs/dbraw/zinc/04/24/96/569042496.db2.gz ZSQANMZWGKYDER-GYAHLDOBSA-N 0 0 402.969 5.760 50 0 HKAARN Clc1ccc([C@H](c2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022026394 559068706 /nfs/dbraw/zinc/06/87/06/559068706.db2.gz ZSQANMZWGKYDER-ZRFNAWPJSA-N 0 0 402.969 5.760 50 0 HKAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)c1ccc(Cl)cc1 ZINC000022029092 558458995 /nfs/dbraw/zinc/45/89/95/558458995.db2.gz YAYWGQIBUGBPAP-GFCCVEGCSA-N 0 0 422.337 5.064 50 0 HKAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)c1ccc(Cl)cc1 ZINC000022029094 558458986 /nfs/dbraw/zinc/45/89/86/558458986.db2.gz YAYWGQIBUGBPAP-LBPRGKRZSA-N 0 0 422.337 5.064 50 0 HKAARN O=c1c2ccccc2nc(SCc2nnsc2Cl)n1CCC1=CCCCC1 ZINC000022043406 558459475 /nfs/dbraw/zinc/45/94/75/558459475.db2.gz AAYKVYLDZKBFLC-UHFFFAOYSA-N 0 0 418.975 5.084 50 0 HKAARN O=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000022059275 558460608 /nfs/dbraw/zinc/46/06/08/558460608.db2.gz UEPZDXMEEKCJSP-FYYLOGMGSA-N 0 0 407.416 5.038 50 0 in-vitro HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C ZINC000022060415 569052049 /nfs/dbraw/zinc/05/20/49/569052049.db2.gz YRWIUNJQYGATHV-FTLVODPJSA-N 0 0 402.663 6.361 50 0 in-vitro HKAARN Cc1occc1-c1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c32)n1C ZINC000022060590 558460490 /nfs/dbraw/zinc/46/04/90/558460490.db2.gz BOEWRAZTZKPHKO-UHFFFAOYSA-N 0 0 423.498 5.346 50 0 HKAARN Cc1c2cccc(F)c2oc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000022065959 558461095 /nfs/dbraw/zinc/46/10/95/558461095.db2.gz NLFLUPVHAALATB-UHFFFAOYSA-N 0 0 410.426 5.027 50 0 HKAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(SCc2cccnc2)cc1 ZINC000022067724 558461360 /nfs/dbraw/zinc/46/13/60/558461360.db2.gz GABGTGWVHCKSPT-UHFFFAOYSA-N 0 0 403.334 5.862 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000022077400 558462809 /nfs/dbraw/zinc/46/28/09/558462809.db2.gz RHZDWNQGNVUUOJ-UHFFFAOYSA-N 0 0 415.276 5.507 50 0 HKAARN CCOc1cc(CN2CCCn3c4ccc(C)cc4c4c3C2CCC4)ccc1OC ZINC000022078041 558778958 /nfs/dbraw/zinc/77/89/58/558778958.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 0 0 404.554 5.640 50 0 HKAARN CCOc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1OC ZINC000022078044 558778988 /nfs/dbraw/zinc/77/89/88/558778988.db2.gz OSNAEXFOGUNGFO-HSZRJFAPSA-N 0 0 404.554 5.640 50 0 HKAARN O=c1/c(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc3ccccc3n12 ZINC000022079025 568473685 /nfs/dbraw/zinc/47/36/85/568473685.db2.gz FJBXKUUYOFECTB-VCHYOVAHSA-N 0 0 413.285 5.024 50 0 HKAARN COc1ccccc1-c1noc(CSc2nccn2-c2ccccc2C(C)C)n1 ZINC000022080010 558462868 /nfs/dbraw/zinc/46/28/68/558462868.db2.gz KDUDUUCMBAKMMC-UHFFFAOYSA-N 0 0 406.511 5.347 50 0 HKAARN COc1ccc(-c2cc(CN3CCc4sccc4[C@@H]3c3cccs3)on2)cc1 ZINC000022096325 558463456 /nfs/dbraw/zinc/46/34/56/558463456.db2.gz NPRLFHNBHSDLLW-JOCHJYFZSA-N 0 0 408.548 5.621 50 0 HKAARN COc1ccc(-c2cc(CN3CCc4sccc4[C@H]3c3cccs3)on2)cc1 ZINC000022096329 558463523 /nfs/dbraw/zinc/46/35/23/558463523.db2.gz NPRLFHNBHSDLLW-QFIPXVFZSA-N 0 0 408.548 5.621 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cccc2ncccc21 ZINC000022097059 558463519 /nfs/dbraw/zinc/46/35/19/558463519.db2.gz LMKFXHVXHDJQAB-UHFFFAOYSA-N 0 0 418.500 5.360 50 0 HKAARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2ccccc2s1 ZINC000022108534 558778953 /nfs/dbraw/zinc/77/89/53/558778953.db2.gz UDIKELWNMQYLBX-UHFFFAOYSA-N 0 0 413.296 5.880 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)o1 ZINC000022108979 558993552 /nfs/dbraw/zinc/99/35/52/558993552.db2.gz AMYLLOJWQBBTOY-UHFFFAOYSA-N 0 0 416.662 5.491 50 0 HKAARN CSc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1 ZINC000022130507 558463976 /nfs/dbraw/zinc/46/39/76/558463976.db2.gz CIAXBMCAVSVELD-HMAPJEAMSA-N 0 0 420.509 5.266 50 0 HKAARN CC(C)c1ccc(N[C@@H](c2ccc(Cl)cc2)P2(=O)OCC(C)(C)CO2)cc1 ZINC000022130744 558463963 /nfs/dbraw/zinc/46/39/63/558463963.db2.gz PMIJQVCKZPXNLH-HXUWFJFHSA-N 0 0 407.878 6.840 50 0 HKAARN CC(C)c1ccc(N[C@H](c2ccc(Cl)cc2)P2(=O)OCC(C)(C)CO2)cc1 ZINC000022130745 558463978 /nfs/dbraw/zinc/46/39/78/558463978.db2.gz PMIJQVCKZPXNLH-FQEVSTJZSA-N 0 0 407.878 6.840 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000022131477 568764773 /nfs/dbraw/zinc/76/47/73/568764773.db2.gz VIVLBFQTMLPKOX-UHFFFAOYSA-N 0 0 422.560 5.809 50 0 HKAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1Cl ZINC000022131490 558463974 /nfs/dbraw/zinc/46/39/74/558463974.db2.gz KSFCEHXLUFSQEP-UHFFFAOYSA-N 0 0 418.305 5.631 50 0 HKAARN Fc1ccc(-c2cnc(CSc3nc(C(F)(F)F)nc4ccccc43)o2)cc1 ZINC000022133214 568764765 /nfs/dbraw/zinc/76/47/65/568764765.db2.gz UBTHNNSENRRRJQ-UHFFFAOYSA-N 0 0 405.376 5.735 50 0 HKAARN CCc1nc2ccc(C(=O)N(Cc3c(C)noc3C)c3ccccc3)cc2nc1CC ZINC000022135165 558464427 /nfs/dbraw/zinc/46/44/27/558464427.db2.gz ITHGHFYKTQJTHS-UHFFFAOYSA-N 0 0 414.509 5.206 50 0 HKAARN COc1cccc2cc(-c3nc(-c4cccc(Br)c4)cs3)c(=O)oc21 ZINC000022135290 558464448 /nfs/dbraw/zinc/46/44/48/558464448.db2.gz VSTQHQWEOIYJHQ-UHFFFAOYSA-N 0 0 414.280 5.355 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000022135470 558464429 /nfs/dbraw/zinc/46/44/29/558464429.db2.gz BQRVXCUHNKNOEL-UHFFFAOYSA-N 0 0 424.909 5.973 50 0 HKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000022142822 558862521 /nfs/dbraw/zinc/86/25/21/558862521.db2.gz SQTCAYBRPUUXKH-UHFFFAOYSA-N 0 0 424.525 5.857 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(OCc2ccccc2)c1 ZINC000022145913 558464773 /nfs/dbraw/zinc/46/47/73/558464773.db2.gz ZXDRVSSALIAOQU-UHFFFAOYSA-N 0 0 421.456 5.721 50 0 HKAARN Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1NC(=O)c1ccco1 ZINC000022145960 558464776 /nfs/dbraw/zinc/46/47/76/558464776.db2.gz WMJKHXUCJQZARY-UHFFFAOYSA-N 0 0 420.852 6.006 50 0 HKAARN Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nccc(NCc3ccccc3)c12 ZINC000022147014 558464743 /nfs/dbraw/zinc/46/47/43/558464743.db2.gz KZUIZVFQOWEHLM-UHFFFAOYSA-N 0 0 417.578 5.890 50 0 HKAARN O=C(CCc1ccccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000022185264 558465347 /nfs/dbraw/zinc/46/53/47/558465347.db2.gz UXAUQRMIRFIPRW-UHFFFAOYSA-N 0 0 410.823 5.279 50 0 HKAARN Cn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1cccnc1 ZINC000022187252 558864113 /nfs/dbraw/zinc/86/41/13/558864113.db2.gz TYVOITDJLXWPFE-UHFFFAOYSA-N 0 0 418.309 5.131 50 0 HKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nc(-c4ccco4)nc4ccccc43)o2)cc1 ZINC000022188876 558465670 /nfs/dbraw/zinc/46/56/70/558465670.db2.gz UUIGHSSRKFSZQK-OAHLLOKOSA-N 0 0 414.490 6.102 50 0 HKAARN Cc1ccc(-c2nnc([C@H](C)Sc3nc(-c4ccco4)nc4ccccc43)o2)cc1 ZINC000022188879 558465671 /nfs/dbraw/zinc/46/56/71/558465671.db2.gz UUIGHSSRKFSZQK-HNNXBMFYSA-N 0 0 414.490 6.102 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccco3)nc3ccccc32)c1 ZINC000022189137 568765080 /nfs/dbraw/zinc/76/50/80/568765080.db2.gz KSLDFBDPBSIZKA-MRXNPFEDSA-N 0 0 403.507 5.626 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccco3)nc3ccccc32)c1 ZINC000022189140 568765055 /nfs/dbraw/zinc/76/50/55/568765055.db2.gz KSLDFBDPBSIZKA-INIZCTEOSA-N 0 0 403.507 5.626 50 0 HKAARN C[C@@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000022189183 568765290 /nfs/dbraw/zinc/76/52/90/568765290.db2.gz JOCBYPQFSMONQY-GFCCVEGCSA-N 0 0 411.433 5.287 50 0 HKAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000022189185 568765248 /nfs/dbraw/zinc/76/52/48/568765248.db2.gz JOCBYPQFSMONQY-LBPRGKRZSA-N 0 0 411.433 5.287 50 0 HKAARN C[C@@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000022189188 568765258 /nfs/dbraw/zinc/76/52/58/568765258.db2.gz LAZGLPSBRREFOE-GFCCVEGCSA-N 0 0 411.433 5.287 50 0 HKAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000022189191 568765303 /nfs/dbraw/zinc/76/53/03/568765303.db2.gz LAZGLPSBRREFOE-LBPRGKRZSA-N 0 0 411.433 5.287 50 0 HKAARN CN(Cc1cc(-c2ccc(Cl)cc2Cl)no1)Cc1nc2ccccc2s1 ZINC000022190105 558465666 /nfs/dbraw/zinc/46/56/66/558465666.db2.gz KPJFCKNXYRTERD-UHFFFAOYSA-N 0 0 404.322 5.890 50 0 HKAARN CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000022192176 558465865 /nfs/dbraw/zinc/46/58/65/558465865.db2.gz ITXKJTRKDOHZAU-UHFFFAOYSA-N 0 0 402.928 5.373 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000022193059 558465860 /nfs/dbraw/zinc/46/58/60/558465860.db2.gz JZTQNMWOMYSNOF-UHFFFAOYSA-N 0 0 416.546 5.040 50 0 HKAARN c1coc(Cn2cnnc2SCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000022193902 558466150 /nfs/dbraw/zinc/46/61/50/558466150.db2.gz CJKPEBJNZODHOO-UHFFFAOYSA-N 0 0 413.506 5.064 50 0 HKAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022197107 558864793 /nfs/dbraw/zinc/86/47/93/558864793.db2.gz HVVAWJCRLXSEFZ-UHFFFAOYSA-N 0 0 409.283 5.049 50 0 HKAARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000022205982 569042585 /nfs/dbraw/zinc/04/25/85/569042585.db2.gz ZXXOHWFDXGEQBJ-UYRXBGFRSA-N 0 0 424.283 5.917 50 0 HKAARN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cccc1-c1nc2ncccc2o1 ZINC000022215595 558466812 /nfs/dbraw/zinc/46/68/12/558466812.db2.gz WSFUHIFINPHGJK-CSKARUKUSA-N 0 0 424.287 6.157 50 0 HKAARN Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3o2)c(C)n1C[C@@H]1CCCO1 ZINC000022218857 558466724 /nfs/dbraw/zinc/46/67/24/558466724.db2.gz ZMKDLCRSKKSWQN-HNNXBMFYSA-N 0 0 404.919 5.054 50 0 HKAARN Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3o2)c(C)n1C[C@H]1CCCO1 ZINC000022218860 558466798 /nfs/dbraw/zinc/46/67/98/558466798.db2.gz ZMKDLCRSKKSWQN-OAHLLOKOSA-N 0 0 404.919 5.054 50 0 HKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3c(C)cccc3C(C)C)c12 ZINC000022239271 568765638 /nfs/dbraw/zinc/76/56/38/568765638.db2.gz HKDVTCSIUGCLSH-UHFFFAOYSA-N 0 0 403.457 6.021 50 0 HKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3OC(F)F)c12 ZINC000022239276 558471495 /nfs/dbraw/zinc/47/14/95/558471495.db2.gz OQVZRJCLKRMMQB-UHFFFAOYSA-N 0 0 413.355 5.191 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000022239291 558471502 /nfs/dbraw/zinc/47/15/02/558471502.db2.gz BRTRMQIHFBCESQ-UHFFFAOYSA-N 0 0 414.889 5.364 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000022240034 568765777 /nfs/dbraw/zinc/76/57/77/568765777.db2.gz YHUJFGDELSVGEC-UHFFFAOYSA-N 0 0 414.469 5.018 50 0 HKAARN CCOc1ccccc1-c1nc(CC(=O)N(CC)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000022240831 521439039 /nfs/dbraw/zinc/43/90/39/521439039.db2.gz VTGGNNZCNNNCLW-UHFFFAOYSA-N 0 0 424.610 5.569 50 0 HKAARN CCOc1ccccc1-c1noc(CN2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000022242267 558471932 /nfs/dbraw/zinc/47/19/32/558471932.db2.gz DHZANPVVDRBSPZ-OAQYLSRUSA-N 0 0 423.563 5.406 50 0 HKAARN CCOc1ccccc1-c1noc(CN2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000022242269 558471862 /nfs/dbraw/zinc/47/18/62/558471862.db2.gz DHZANPVVDRBSPZ-NRFANRHFSA-N 0 0 423.563 5.406 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000022242474 558471874 /nfs/dbraw/zinc/47/18/74/558471874.db2.gz LIHHFUZJCWRDNH-UHFFFAOYSA-N 0 0 408.929 5.409 50 0 HKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022242915 558471916 /nfs/dbraw/zinc/47/19/16/558471916.db2.gz QLFHVKZMWZMTFO-UHFFFAOYSA-N 0 0 411.505 5.278 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N(Cc1ccccc1)c1ccccc1 ZINC000022242920 568765780 /nfs/dbraw/zinc/76/57/80/568765780.db2.gz XPPFDBHMNSPEEW-UHFFFAOYSA-N 0 0 400.453 5.647 50 0 HKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(Br)c1 ZINC000022245801 568765788 /nfs/dbraw/zinc/76/57/88/568765788.db2.gz KHRUNPALHHJCAE-UHFFFAOYSA-N 0 0 406.280 5.349 50 0 HKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000022245804 568765789 /nfs/dbraw/zinc/76/57/89/568765789.db2.gz XAIBRMXIBRRSNY-UHFFFAOYSA-N 0 0 406.280 5.349 50 0 HKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022245886 568765747 /nfs/dbraw/zinc/76/57/47/568765747.db2.gz ICVPFWYYIAFYSK-UHFFFAOYSA-N 0 0 419.481 6.379 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000022248332 558472692 /nfs/dbraw/zinc/47/26/92/558472692.db2.gz ZSTVFWMPFJAOFJ-UHFFFAOYSA-N 0 0 422.819 5.644 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc3ccccc3c2)cc1OC ZINC000022249271 558986446 /nfs/dbraw/zinc/98/64/46/558986446.db2.gz YAZKWWMOEPRKLL-NRFANRHFSA-N 0 0 407.535 5.313 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)CSc2ccc3ccccc3c2)cc1OC ZINC000022249276 558986536 /nfs/dbraw/zinc/98/65/36/558986536.db2.gz YAZKWWMOEPRKLL-OAQYLSRUSA-N 0 0 407.535 5.313 50 0 HKAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000022249313 558986500 /nfs/dbraw/zinc/98/65/00/558986500.db2.gz COEQJKRPQDXNJZ-CQSZACIVSA-N 0 0 423.485 5.166 50 0 HKAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000022249317 558986432 /nfs/dbraw/zinc/98/64/32/558986432.db2.gz COEQJKRPQDXNJZ-AWEZNQCLSA-N 0 0 423.485 5.166 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000022256821 558474523 /nfs/dbraw/zinc/47/45/23/558474523.db2.gz AOFFMANSXSCUMZ-MRXNPFEDSA-N 0 0 422.550 5.330 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000022256825 558474439 /nfs/dbraw/zinc/47/44/39/558474439.db2.gz AOFFMANSXSCUMZ-INIZCTEOSA-N 0 0 422.550 5.330 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)c3occc3COc3ccccc3)ccc2c1 ZINC000022276002 558987088 /nfs/dbraw/zinc/98/70/88/558987088.db2.gz HSALBOVAIZFFCN-UHFFFAOYSA-N 0 0 401.462 5.293 50 0 HKAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000022278472 558475732 /nfs/dbraw/zinc/47/57/32/558475732.db2.gz IMFSJYVWIVODDF-UHFFFAOYSA-N 0 0 421.394 5.137 50 0 HKAARN Cc1ccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000022279698 558476026 /nfs/dbraw/zinc/47/60/26/558476026.db2.gz KKSRRLLAAGUZCM-UHFFFAOYSA-N 0 0 422.431 5.687 50 0 HKAARN Cc1ccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000022279702 558476028 /nfs/dbraw/zinc/47/60/28/558476028.db2.gz HUXBPSITRQHGEM-UHFFFAOYSA-N 0 0 422.431 5.687 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(Cc3ccccc3F)C3CC3)c2)cs1 ZINC000022280632 558475993 /nfs/dbraw/zinc/47/59/93/558475993.db2.gz KMVLPZNMFPGCDS-FMIVXFBMSA-N 0 0 422.525 5.374 50 0 HKAARN CCOc1ccccc1-c1nc(CC(=O)N(Cc2ccccc2F)C2CC2)cs1 ZINC000022280636 568479111 /nfs/dbraw/zinc/47/91/11/568479111.db2.gz XTZQUQVHYWCJAV-UHFFFAOYSA-N 0 0 410.514 5.082 50 0 HKAARN Cc1noc(C)c1CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000022283459 568765938 /nfs/dbraw/zinc/76/59/38/568765938.db2.gz SVNUYXQCQKSXHN-UHFFFAOYSA-N 0 0 419.456 5.252 50 0 HKAARN COc1cccc(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1OC ZINC000022283707 568765936 /nfs/dbraw/zinc/76/59/36/568765936.db2.gz PRNZZFUVMBVGGC-UHFFFAOYSA-N 0 0 402.450 5.083 50 0 HKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl ZINC000022289512 568766151 /nfs/dbraw/zinc/76/61/51/568766151.db2.gz YGFSGHGZOPFJGX-UHFFFAOYSA-N 0 0 409.939 5.389 50 0 HKAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022289792 558476534 /nfs/dbraw/zinc/47/65/34/558476534.db2.gz KZLLBXUNXAPVIG-UHFFFAOYSA-N 0 0 401.532 5.249 50 0 HKAARN O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(CN2CCCCC2)cs1 ZINC000022290288 558476545 /nfs/dbraw/zinc/47/65/45/558476545.db2.gz SZLRHKAFLKPGKW-UHFFFAOYSA-N 0 0 413.518 5.099 50 0 HKAARN CC(C)n1nccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000022290464 568479180 /nfs/dbraw/zinc/47/91/80/568479180.db2.gz RLXHVEZZJOSJTE-UHFFFAOYSA-N 0 0 419.916 5.151 50 0 HKAARN CC(C)(C)C(=O)NCc1ccc(-c2csc(NCCc3cccs3)n2)s1 ZINC000022310107 558477426 /nfs/dbraw/zinc/47/74/26/558477426.db2.gz IGJGMGAZUWIKHN-UHFFFAOYSA-N 0 0 405.614 5.250 50 0 HKAARN COc1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1 ZINC000022310432 558477406 /nfs/dbraw/zinc/47/74/06/558477406.db2.gz LNONRQOIGQFUDP-UHFFFAOYSA-N 0 0 411.417 5.411 50 0 HKAARN Clc1ccc(-c2cc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)on2)cc1 ZINC000022312946 558477657 /nfs/dbraw/zinc/47/76/57/558477657.db2.gz YLHBNCDQFVOWOW-UHFFFAOYSA-N 0 0 403.294 5.726 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCSc4ccccc43)c12 ZINC000022318271 558477911 /nfs/dbraw/zinc/47/79/11/558477911.db2.gz WYKYAIYYHMTZKR-UHFFFAOYSA-N 0 0 401.491 5.341 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3ccccc3O)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000022319724 558477870 /nfs/dbraw/zinc/47/78/70/558477870.db2.gz MPJOPQCMRRNHPY-UHFFFAOYSA-N 0 0 406.511 5.315 50 0 HKAARN Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000022320837 558987856 /nfs/dbraw/zinc/98/78/56/558987856.db2.gz MHINZQYSJXLODW-UHFFFAOYSA-N 0 0 402.372 5.040 50 0 HKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc2c(cccc2F)s1 ZINC000022321833 558478218 /nfs/dbraw/zinc/47/82/18/558478218.db2.gz WSODRPPQRFUIHR-UHFFFAOYSA-N 0 0 422.403 5.660 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(Cc3ccccc3)C(C)C)c2)cs1 ZINC000022323531 558478121 /nfs/dbraw/zinc/47/81/21/558478121.db2.gz LVQWXXAOVJXOKX-OUKQBFOZSA-N 0 0 406.551 5.481 50 0 HKAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1ccccc1 ZINC000022328646 568484039 /nfs/dbraw/zinc/48/40/39/568484039.db2.gz LEMMAJGZNJHTGE-QXLXQBSBSA-N 0 0 409.379 5.266 50 0 HKAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1ccccc1 ZINC000022328650 568483959 /nfs/dbraw/zinc/48/39/59/568483959.db2.gz LEMMAJGZNJHTGE-KAMXEHQASA-N 0 0 409.379 5.266 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)CCCCC(=O)OC ZINC000022331216 558987806 /nfs/dbraw/zinc/98/78/06/558987806.db2.gz SVZQCLAZLZJVDV-AWEZNQCLSA-N 0 0 411.564 5.136 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)CCCCC(=O)OC ZINC000022331219 558987877 /nfs/dbraw/zinc/98/78/77/558987877.db2.gz SVZQCLAZLZJVDV-CQSZACIVSA-N 0 0 411.564 5.136 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)CCCC(=O)OC ZINC000022331271 558987848 /nfs/dbraw/zinc/98/78/48/558987848.db2.gz WOHXTOPBVOXMJE-HNNXBMFYSA-N 0 0 409.548 5.057 50 0 HKAARN CCOC(=O)CCCC(=O)Nc1sc([C@@H](C)CC(C)(C)C)cc1C(=O)OCC ZINC000022331573 558987830 /nfs/dbraw/zinc/98/78/30/558987830.db2.gz UDNZTZQKNYXVOH-AWEZNQCLSA-N 0 0 411.564 5.136 50 0 HKAARN CCOC(=O)CCCC(=O)Nc1sc([C@H](C)CC(C)(C)C)cc1C(=O)OCC ZINC000022331576 558987874 /nfs/dbraw/zinc/98/78/74/558987874.db2.gz UDNZTZQKNYXVOH-CQSZACIVSA-N 0 0 411.564 5.136 50 0 HKAARN CCOC(=O)CCC(=O)Nc1sc([C@@H](C)CCC=C(C)C)cc1C(=O)OCC ZINC000022331698 558987892 /nfs/dbraw/zinc/98/78/92/558987892.db2.gz HXIWEVRAIKCQGH-HNNXBMFYSA-N 0 0 409.548 5.057 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)CCCCC(=O)OC ZINC000022332837 558987853 /nfs/dbraw/zinc/98/78/53/558987853.db2.gz KUTDJRWOEXMDQZ-INIZCTEOSA-N 0 0 423.575 5.447 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000022339929 568766681 /nfs/dbraw/zinc/76/66/81/568766681.db2.gz RBFHZRFTRAPBBM-KRWDZBQOSA-N 0 0 419.631 6.375 50 0 HKAARN CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000022339935 568766615 /nfs/dbraw/zinc/76/66/15/568766615.db2.gz RBFHZRFTRAPBBM-QGZVFWFLSA-N 0 0 419.631 6.375 50 0 HKAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(Oc4ccccc4)c23)c1 ZINC000022341434 558482246 /nfs/dbraw/zinc/48/22/46/558482246.db2.gz WHELQIQTMGKFHM-UHFFFAOYSA-N 0 0 409.536 5.044 50 0 HKAARN CCCn1cc(C2CCN(C(=O)CCCCCCC(=O)OC)CC2)c2ccccc21 ZINC000022347247 558988105 /nfs/dbraw/zinc/98/81/05/558988105.db2.gz SXZBMTDFGALVQA-UHFFFAOYSA-N 0 0 412.574 5.271 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2cn(C)c3ccccc23)CC1 ZINC000022347688 558988064 /nfs/dbraw/zinc/98/80/64/558988064.db2.gz QGGPTQFGTXNBIR-FZOAFFARSA-N 0 0 410.602 5.362 50 0 HKAARN COc1ccc(NC(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022350056 568766721 /nfs/dbraw/zinc/76/67/21/568766721.db2.gz RPNDVTXKSLBRHI-UHFFFAOYSA-N 0 0 406.448 5.591 50 0 HKAARN O=C(COc1cccc(Cl)c1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022351757 568766651 /nfs/dbraw/zinc/76/66/51/568766651.db2.gz FHAJWEPOWUYBGT-UHFFFAOYSA-N 0 0 411.851 5.219 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)OCc2nc(-c3ccccc3)no2)cs1 ZINC000022356930 558482822 /nfs/dbraw/zinc/48/28/22/558482822.db2.gz NBBMWGIVWGIOKT-UHFFFAOYSA-N 0 0 423.519 5.151 50 0 HKAARN Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)o3)cc2)cc1 ZINC000022357346 568766904 /nfs/dbraw/zinc/76/69/04/568766904.db2.gz XRQBXTSYDYJYSG-UHFFFAOYSA-N 0 0 423.519 5.630 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 ZINC000022365218 558483457 /nfs/dbraw/zinc/48/34/57/558483457.db2.gz IYSLJRJZUBNTHL-UHFFFAOYSA-N 0 0 408.401 5.098 50 0 HKAARN CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)OCO2 ZINC000022372140 558483909 /nfs/dbraw/zinc/48/39/09/558483909.db2.gz GGQAXNVSHVNOAW-UHFFFAOYSA-N 0 0 417.339 5.149 50 0 HKAARN COc1ccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374001 558484290 /nfs/dbraw/zinc/48/42/90/558484290.db2.gz PEDOBNXDLNEGIM-RUZDIDTESA-N 0 0 414.505 5.241 50 0 HKAARN COc1ccc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000022374007 558484329 /nfs/dbraw/zinc/48/43/29/558484329.db2.gz PEDOBNXDLNEGIM-VWLOTQADSA-N 0 0 414.505 5.241 50 0 HKAARN COc1cccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374012 558484319 /nfs/dbraw/zinc/48/43/19/558484319.db2.gz DZINHKXVYNZSME-XMMPIXPASA-N 0 0 414.505 5.241 50 0 HKAARN COc1cccc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000022374018 558484354 /nfs/dbraw/zinc/48/43/54/558484354.db2.gz DZINHKXVYNZSME-DEOSSOPVSA-N 0 0 414.505 5.241 50 0 HKAARN COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c(OC)cc1Cl ZINC000022374911 568766967 /nfs/dbraw/zinc/76/69/67/568766967.db2.gz KDAFOTGHBCLOBT-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)OCc2cccc3cccnc32)cs1 ZINC000022380121 558988749 /nfs/dbraw/zinc/98/87/49/558988749.db2.gz VIHIGZKOYBWBFV-UHFFFAOYSA-N 0 0 406.532 5.649 50 0 HKAARN CCN(CC)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000022391193 558989193 /nfs/dbraw/zinc/98/91/93/558989193.db2.gz CNHLUEQBFRMRIW-UHFFFAOYSA-N 0 0 402.585 5.029 50 0 HKAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4C(C)(C)C)CC3)c2c1C ZINC000022395005 132474555 /nfs/dbraw/zinc/47/45/55/132474555.db2.gz PAQQOKFZCHHBRE-UHFFFAOYSA-N 0 0 422.598 5.461 50 0 HKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Nc2cc(F)ccc2F)n1 ZINC000022396056 568485379 /nfs/dbraw/zinc/48/53/79/568485379.db2.gz LISSFMWWTAGAJC-UHFFFAOYSA-N 0 0 416.474 6.021 50 0 HKAARN CCOc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000022396608 558486586 /nfs/dbraw/zinc/48/65/86/558486586.db2.gz KQWZBJHOGWJCCN-UHFFFAOYSA-N 0 0 417.328 5.153 50 0 HKAARN Cc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cn1 ZINC000022416059 558990636 /nfs/dbraw/zinc/99/06/36/558990636.db2.gz WRXPNFBPAFJVNA-UHFFFAOYSA-N 0 0 411.836 5.362 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1 ZINC000022419836 558488679 /nfs/dbraw/zinc/48/86/79/558488679.db2.gz ZTCKSOVSAGHWEY-UHFFFAOYSA-N 0 0 414.461 5.490 50 0 HKAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1Cl ZINC000022458422 558490482 /nfs/dbraw/zinc/49/04/82/558490482.db2.gz KYZAVMNJXKMLHS-UHFFFAOYSA-N 0 0 405.841 5.221 50 0 HKAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1cccc(Cl)c1 ZINC000022458476 558490443 /nfs/dbraw/zinc/49/04/43/558490443.db2.gz CKIJAYLCBKEVBH-UHFFFAOYSA-N 0 0 405.841 5.221 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Br ZINC000022458547 558490422 /nfs/dbraw/zinc/49/04/22/558490422.db2.gz GOOONAYSSZMLFO-UHFFFAOYSA-N 0 0 410.227 5.011 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)cc1 ZINC000022458602 558490461 /nfs/dbraw/zinc/49/04/61/558490461.db2.gz VMLQFRDXGVPRDZ-UHFFFAOYSA-N 0 0 420.266 5.418 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Cl)cc1Cl ZINC000022458773 558490538 /nfs/dbraw/zinc/49/05/38/558490538.db2.gz VKXLAGFCQYEVNR-UHFFFAOYSA-N 0 0 411.248 5.358 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccc(Cl)cc1Cl ZINC000022458778 558490406 /nfs/dbraw/zinc/49/04/06/558490406.db2.gz TXSGJTDHELZFDM-UHFFFAOYSA-N 0 0 411.248 5.358 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccc(Cl)cc1Cl ZINC000022458784 558490507 /nfs/dbraw/zinc/49/05/07/558490507.db2.gz KYHXLHKGIWLSNK-UHFFFAOYSA-N 0 0 411.248 5.358 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccc(Cl)cc1Cl ZINC000022458796 558490432 /nfs/dbraw/zinc/49/04/32/558490432.db2.gz GVLUVDRMRXCSER-UHFFFAOYSA-N 0 0 400.221 5.556 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1cc(Cl)ccc1Cl ZINC000022458844 558490510 /nfs/dbraw/zinc/49/05/10/558490510.db2.gz BATDQASZZQFSPU-UHFFFAOYSA-N 0 0 411.248 5.358 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cc(Cl)ccc1Cl ZINC000022458865 558490541 /nfs/dbraw/zinc/49/05/41/558490541.db2.gz PTAFUMOKRBZQOG-UHFFFAOYSA-N 0 0 400.221 5.556 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Cl)c(Cl)c1 ZINC000022458913 558490448 /nfs/dbraw/zinc/49/04/48/558490448.db2.gz LHNWYJSTWGNTJO-UHFFFAOYSA-N 0 0 411.248 5.358 50 0 HKAARN O=C(COc1ccccc1Cl)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000022460797 558490661 /nfs/dbraw/zinc/49/06/61/558490661.db2.gz VNXLCSMFSIDMJW-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN Cc1cc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)ccc1Cl ZINC000022460978 558490673 /nfs/dbraw/zinc/49/06/73/558490673.db2.gz LELPQLIGQICYGP-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc(Br)o1 ZINC000022461458 558490670 /nfs/dbraw/zinc/49/06/70/558490670.db2.gz BNLATEPQPJMVGG-UHFFFAOYSA-N 0 0 416.256 5.073 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000022461691 558490946 /nfs/dbraw/zinc/49/09/46/558490946.db2.gz WCLDZPCAKSSXME-JLHYYAGUSA-N 0 0 402.841 5.104 50 0 HKAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000022462167 558490943 /nfs/dbraw/zinc/49/09/43/558490943.db2.gz OTWRWHWBGAYOQT-UHFFFAOYSA-N 0 0 419.868 5.247 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000022463437 558490916 /nfs/dbraw/zinc/49/09/16/558490916.db2.gz MZXUEEJXBFTALQ-UHFFFAOYSA-N 0 0 422.897 5.183 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000022463443 558490830 /nfs/dbraw/zinc/49/08/30/558490830.db2.gz QFWVAECPSOSYHV-UHFFFAOYSA-N 0 0 422.897 5.183 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022463449 558490856 /nfs/dbraw/zinc/49/08/56/558490856.db2.gz JZKJBCRUKWDFKR-UHFFFAOYSA-N 0 0 422.897 5.183 50 0 HKAARN Cc1noc(-c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC000022463548 558490948 /nfs/dbraw/zinc/49/09/48/558490948.db2.gz SJCBTVNRAKUMOO-UHFFFAOYSA-N 0 0 404.278 5.819 50 0 HKAARN Cc1noc(-c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 ZINC000022463930 558490909 /nfs/dbraw/zinc/49/09/09/558490909.db2.gz GQYVSVDFFZLVRW-UHFFFAOYSA-N 0 0 414.248 5.864 50 0 HKAARN Cc1noc(-c2ccccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000022463983 558490974 /nfs/dbraw/zinc/49/09/74/558490974.db2.gz JELJCLPCTOVKNJ-UHFFFAOYSA-N 0 0 414.248 5.864 50 0 HKAARN COc1cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc(OC)c1 ZINC000022466588 558491108 /nfs/dbraw/zinc/49/11/08/558491108.db2.gz MBOFJVWSULFRIE-UHFFFAOYSA-N 0 0 400.525 5.013 50 0 HKAARN Cc1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022468717 568768352 /nfs/dbraw/zinc/76/83/52/568768352.db2.gz HBFJIUOAFAPGAL-UHFFFAOYSA-N 0 0 421.491 5.212 50 0 HKAARN Cc1nc(NC(=O)c2cc3c(cccc3F)s2)sc1-c1nccn1C(F)F ZINC000022472672 568486414 /nfs/dbraw/zinc/48/64/14/568486414.db2.gz NNAPSJMJLLENNS-UHFFFAOYSA-N 0 0 408.430 5.316 50 0 HKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)c(F)c1F ZINC000022475131 568768763 /nfs/dbraw/zinc/76/87/63/568768763.db2.gz KSRXJWXZMXCBPN-UHFFFAOYSA-N 0 0 416.346 5.807 50 0 HKAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)cc4Cl)c3)nc12 ZINC000022475147 558491869 /nfs/dbraw/zinc/49/18/69/558491869.db2.gz QJJUIVBNWHRLQW-UHFFFAOYSA-N 0 0 409.848 5.267 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000022475158 568768734 /nfs/dbraw/zinc/76/87/34/568768734.db2.gz CGIZNQJOCQWJEG-UHFFFAOYSA-N 0 0 406.429 5.707 50 0 HKAARN CC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000022475300 568768647 /nfs/dbraw/zinc/76/86/47/568768647.db2.gz BGCOKTTYDYIXFP-UHFFFAOYSA-N 0 0 404.413 5.592 50 0 HKAARN Cc1c(C(=O)N2CCCSc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022476378 558491861 /nfs/dbraw/zinc/49/18/61/558491861.db2.gz XQDHPOGHPPGQPF-UHFFFAOYSA-N 0 0 417.456 5.342 50 0 HKAARN COc1cccc2cc(-c3csc(NC(=O)NCc4ccc(Cl)cc4)n3)oc21 ZINC000022479727 568768675 /nfs/dbraw/zinc/76/86/75/568768675.db2.gz AJPRJJWBDLEAGE-UHFFFAOYSA-N 0 0 413.886 5.540 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000022481193 558996772 /nfs/dbraw/zinc/99/67/72/558996772.db2.gz FRDHXSQCUBTAGL-OAQYLSRUSA-N 0 0 400.526 5.122 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000022481196 558996755 /nfs/dbraw/zinc/99/67/55/558996755.db2.gz FRDHXSQCUBTAGL-NRFANRHFSA-N 0 0 400.526 5.122 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000022490763 558997122 /nfs/dbraw/zinc/99/71/22/558997122.db2.gz KJZUNXBQWQUQEM-UHFFFAOYSA-N 0 0 400.526 5.122 50 0 HKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000022490821 558997140 /nfs/dbraw/zinc/99/71/40/558997140.db2.gz KDVNXKRNRHMDJW-UHFFFAOYSA-N 0 0 414.553 5.341 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000022492641 568768718 /nfs/dbraw/zinc/76/87/18/568768718.db2.gz LWYORSWZPMLARH-UHFFFAOYSA-N 0 0 418.516 5.261 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1Cl ZINC000022492751 132474727 /nfs/dbraw/zinc/47/47/27/132474727.db2.gz TZVGKDPEPUMYFS-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503217 535532339 /nfs/dbraw/zinc/53/23/39/535532339.db2.gz DAUPBHAKYSYHKC-UHFFFAOYSA-N 0 0 415.493 5.322 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000022504173 132474790 /nfs/dbraw/zinc/47/47/90/132474790.db2.gz KILSINXUMDROIG-UHFFFAOYSA-N 0 0 404.297 5.327 50 0 HKAARN CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 ZINC000022504280 132474768 /nfs/dbraw/zinc/47/47/68/132474768.db2.gz BIEOORMCRKGGGG-UHFFFAOYSA-N 0 0 407.514 5.199 50 0 HKAARN CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3cccc4ccccc43)ccc21 ZINC000022504452 132474770 /nfs/dbraw/zinc/47/47/70/132474770.db2.gz UFETYKFHLKTCHU-UHFFFAOYSA-N 0 0 401.510 5.097 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000022504574 558997644 /nfs/dbraw/zinc/99/76/44/558997644.db2.gz CGOQUGZAWACYTK-UHFFFAOYSA-N 0 0 421.522 5.384 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000022504896 535532005 /nfs/dbraw/zinc/53/20/05/535532005.db2.gz JMIFHGHEZQEAPR-UHFFFAOYSA-N 0 0 415.493 5.322 50 0 HKAARN Cc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022504943 558997766 /nfs/dbraw/zinc/99/77/66/558997766.db2.gz BRHYKIGFPLKWJH-UHFFFAOYSA-N 0 0 406.555 5.059 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000022507582 568769003 /nfs/dbraw/zinc/76/90/03/568769003.db2.gz LPCBHXXHZSECJM-UHFFFAOYSA-N 0 0 419.912 5.141 50 0 HKAARN CC(=O)N1CCc2cc(NC(=O)c3cccnc3Sc3cc(C)ccc3C)ccc21 ZINC000022508930 558492483 /nfs/dbraw/zinc/49/24/83/558492483.db2.gz KIMMMHBBIHHNGE-UHFFFAOYSA-N 0 0 417.534 5.011 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000022514887 558493699 /nfs/dbraw/zinc/49/36/99/558493699.db2.gz MVHGIHQPIQBEGW-UHFFFAOYSA-N 0 0 403.473 5.151 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000022516675 558494003 /nfs/dbraw/zinc/49/40/03/558494003.db2.gz MLFZSDLSPNNKLF-UHFFFAOYSA-N 0 0 404.695 5.157 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 ZINC000022517920 558494143 /nfs/dbraw/zinc/49/41/43/558494143.db2.gz FAWXPAYTCYHTOW-UHFFFAOYSA-N 0 0 410.490 5.439 50 0 HKAARN Cc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1C ZINC000022518662 568769618 /nfs/dbraw/zinc/76/96/18/568769618.db2.gz FXGDQHSRTHHWRF-UHFFFAOYSA-N 0 0 422.532 5.209 50 0 HKAARN NC(=O)c1cc(Cl)ccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000022519368 568769629 /nfs/dbraw/zinc/76/96/29/568769629.db2.gz GLOWWXPAMTYQFD-UHFFFAOYSA-N 0 0 412.820 5.160 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1 ZINC000022519381 568487313 /nfs/dbraw/zinc/48/73/13/568487313.db2.gz OJQUMPOLIWNBOV-UHFFFAOYSA-N 0 0 408.430 5.499 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC000022522489 559011125 /nfs/dbraw/zinc/01/11/25/559011125.db2.gz IPNVFJIMBAUAEL-PXLXIMEGSA-N 0 0 422.431 5.426 50 0 HKAARN O=C(Nc1ccc(F)cc1Cl)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000022522688 559011074 /nfs/dbraw/zinc/01/10/74/559011074.db2.gz CDKJHKYHPOXQBA-UHFFFAOYSA-N 0 0 405.860 5.643 50 0 HKAARN C[C@@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)c1c[nH]c2ccccc21 ZINC000022524763 558495396 /nfs/dbraw/zinc/49/53/96/558495396.db2.gz OXEYGFPSZITCOR-CQSZACIVSA-N 0 0 422.531 5.345 50 0 HKAARN C[C@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)c1c[nH]c2ccccc21 ZINC000022524768 558495433 /nfs/dbraw/zinc/49/54/33/558495433.db2.gz OXEYGFPSZITCOR-AWEZNQCLSA-N 0 0 422.531 5.345 50 0 HKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000022529660 558496504 /nfs/dbraw/zinc/49/65/04/558496504.db2.gz BUXIVEFVRLOIPO-UHFFFAOYSA-N 0 0 409.342 5.065 50 0 HKAARN c1ccc2c(c1)sc1nnc(Sc3nc(-c4cccnc4)nc4ccccc43)n21 ZINC000022530129 558496822 /nfs/dbraw/zinc/49/68/22/558496822.db2.gz IGMNHXIKLCXQSD-UHFFFAOYSA-N 0 0 412.503 5.100 50 0 HKAARN Fc1cc(CSc2nnc(-c3cccnc3)o2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000022533626 558497718 /nfs/dbraw/zinc/49/77/18/558497718.db2.gz WJMLGAANFHUIGJ-OAQYLSRUSA-N 0 0 421.453 5.171 50 0 HKAARN Fc1cc(CSc2nnc(-c3cccnc3)o2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000022533630 558497705 /nfs/dbraw/zinc/49/77/05/558497705.db2.gz WJMLGAANFHUIGJ-NRFANRHFSA-N 0 0 421.453 5.171 50 0 HKAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000022535563 568769594 /nfs/dbraw/zinc/76/95/94/568769594.db2.gz JLQWTOYJEOAJGG-UVTDQMKNSA-N 0 0 409.820 5.546 50 0 HKAARN CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1c(C)cc(C)cc1Cl ZINC000022538335 559012011 /nfs/dbraw/zinc/01/20/11/559012011.db2.gz CDMQCXQFYGLDMI-UHFFFAOYSA-N 0 0 420.943 5.516 50 0 HKAARN CC(C)c1ccc([C@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)c2cccs2)cc1 ZINC000022542339 558498927 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HKAARN CCC(CC)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022643030 557489438 /nfs/dbraw/zinc/48/94/38/557489438.db2.gz PSBKEWVIZBWEKC-UHFFFAOYSA-N 0 0 419.396 5.663 50 0 HKAARN O=C(c1c(F)cccc1C(F)(F)F)N1CCC(CCc2ccc3c(c2)OCO3)CC1 ZINC000022643806 557489967 /nfs/dbraw/zinc/48/99/67/557489967.db2.gz SEJGSRJJGCCQAS-UHFFFAOYSA-N 0 0 423.406 5.058 50 0 HKAARN CC(C)(C)c1cc(NC(=O)CCC2CCCC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000022644511 557491297 /nfs/dbraw/zinc/49/12/97/557491297.db2.gz MOBQMQNTZACMLB-UHFFFAOYSA-N 0 0 408.373 6.386 50 0 HKAARN CCCC(CCC)NC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)(C)C)cc1 ZINC000022644541 557491311 /nfs/dbraw/zinc/49/13/11/557491311.db2.gz CFUKTEDZQQBJEA-UHFFFAOYSA-N 0 0 413.562 5.045 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)CCc1ccccc1 ZINC000022645375 557491651 /nfs/dbraw/zinc/49/16/51/557491651.db2.gz JKQCIOZDXUCESM-SFHVURJKSA-N 0 0 413.583 6.346 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)COCc1ccccc1 ZINC000022645783 557491870 /nfs/dbraw/zinc/49/18/70/557491870.db2.gz RCDHWJIESAOGSW-INIZCTEOSA-N 0 0 417.571 5.620 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)COCc1ccccc1 ZINC000022645787 557491900 /nfs/dbraw/zinc/49/19/00/557491900.db2.gz RCDHWJIESAOGSW-MRXNPFEDSA-N 0 0 417.571 5.620 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000022646026 557491850 /nfs/dbraw/zinc/49/18/50/557491850.db2.gz UWFDRFMKCABKDZ-CQSZACIVSA-N 0 0 410.389 6.632 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000022646028 557491882 /nfs/dbraw/zinc/49/18/82/557491882.db2.gz UWFDRFMKCABKDZ-AWEZNQCLSA-N 0 0 410.389 6.632 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)/C=C/c1ccccc1 ZINC000022647047 557492399 /nfs/dbraw/zinc/49/23/99/557492399.db2.gz XLDGPTJJFSCZEH-JJJPLKNQSA-N 0 0 411.567 6.427 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)COc1ccccc1 ZINC000022648076 557492595 /nfs/dbraw/zinc/49/25/95/557492595.db2.gz PVJOXUYZAMIFGI-KRWDZBQOSA-N 0 0 415.555 5.792 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)Cc1ccc(F)cc1 ZINC000022650765 557614217 /nfs/dbraw/zinc/61/42/17/557614217.db2.gz IGRWWORKYWUWSO-AWEZNQCLSA-N 0 0 405.535 5.785 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)Cc1ccc(F)cc1 ZINC000022650769 557614327 /nfs/dbraw/zinc/61/43/27/557614327.db2.gz IGRWWORKYWUWSO-CQSZACIVSA-N 0 0 405.535 5.785 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1cc(C)oc1C ZINC000022651228 557614467 /nfs/dbraw/zinc/61/44/67/557614467.db2.gz DRRZVDJOBQVPDZ-AWEZNQCLSA-N 0 0 403.544 6.237 50 0 HKAARN CCC(CC)NC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000022653641 132475337 /nfs/dbraw/zinc/47/53/37/132475337.db2.gz DGOCTIZNANEDEW-DEDYPNTBSA-N 0 0 414.958 5.168 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC000022653780 557652414 /nfs/dbraw/zinc/65/24/14/557652414.db2.gz BVLKQJROPNQCCM-CJAUYULYSA-N 0 0 409.570 5.640 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC000022653783 557652652 /nfs/dbraw/zinc/65/26/52/557652652.db2.gz BVLKQJROPNQCCM-BVZFJXPGSA-N 0 0 409.570 5.640 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC000022653786 557652875 /nfs/dbraw/zinc/65/28/75/557652875.db2.gz BVLKQJROPNQCCM-IQGLISFBSA-N 0 0 409.570 5.640 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC000022653789 557652840 /nfs/dbraw/zinc/65/28/40/557652840.db2.gz BVLKQJROPNQCCM-AVRWGWEMSA-N 0 0 409.570 5.640 50 0 HKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000022654109 557653894 /nfs/dbraw/zinc/65/38/94/557653894.db2.gz UAVRNHIJONRBBT-UHFFFAOYSA-N 0 0 404.554 6.528 50 0 HKAARN COc1cc2c(cc1OC)[C@H](C(C)C)N(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000022654244 557654819 /nfs/dbraw/zinc/65/48/19/557654819.db2.gz AOXUILBTYGHTPS-FQEVSTJZSA-N 0 0 408.325 5.406 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](C(C)C)N(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000022654247 557654779 /nfs/dbraw/zinc/65/47/79/557654779.db2.gz AOXUILBTYGHTPS-HXUWFJFHSA-N 0 0 408.325 5.406 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(CC)cc1 ZINC000022654409 557655959 /nfs/dbraw/zinc/65/59/59/557655959.db2.gz QNSUWTJRISETKI-HNNXBMFYSA-N 0 0 401.572 6.279 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(CC)cc1 ZINC000022654412 557655829 /nfs/dbraw/zinc/65/58/29/557655829.db2.gz QNSUWTJRISETKI-OAHLLOKOSA-N 0 0 401.572 6.279 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000022654431 557656890 /nfs/dbraw/zinc/65/68/90/557656890.db2.gz BABDIDNCYPYFDW-JKSUJKDBSA-N 0 0 417.571 5.871 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000022654434 557657293 /nfs/dbraw/zinc/65/72/93/557657293.db2.gz BABDIDNCYPYFDW-HZPDHXFCSA-N 0 0 417.571 5.871 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000022654437 557657460 /nfs/dbraw/zinc/65/74/60/557657460.db2.gz BABDIDNCYPYFDW-HOTGVXAUSA-N 0 0 417.571 5.871 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000022654440 557657516 /nfs/dbraw/zinc/65/75/16/557657516.db2.gz BABDIDNCYPYFDW-CVEARBPZSA-N 0 0 417.571 5.871 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)Cc1ccc(F)cc1 ZINC000022654533 557662361 /nfs/dbraw/zinc/66/23/61/557662361.db2.gz XQFPXBCCSIUCCY-INIZCTEOSA-N 0 0 417.546 6.095 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1cccc(F)c1 ZINC000022654544 557662676 /nfs/dbraw/zinc/66/26/76/557662676.db2.gz PWJGFRNBZBQDHG-HNNXBMFYSA-N 0 0 403.519 6.166 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1Cl ZINC000022655053 557661853 /nfs/dbraw/zinc/66/18/53/557661853.db2.gz XRRDEGOMDBSNLF-UHFFFAOYSA-N 0 0 424.010 5.118 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1ccccc1F ZINC000022655440 557665788 /nfs/dbraw/zinc/66/57/88/557665788.db2.gz NXJPOACJSRJGJU-HNNXBMFYSA-N 0 0 403.519 6.166 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000022655821 557666713 /nfs/dbraw/zinc/66/67/13/557666713.db2.gz WWWSRILNRRPIHA-SJORKVTESA-N 0 0 415.599 6.478 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000022655824 557666741 /nfs/dbraw/zinc/66/67/41/557666741.db2.gz WWWSRILNRRPIHA-IAGOWNOFSA-N 0 0 415.599 6.478 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000022655826 557666771 /nfs/dbraw/zinc/66/67/71/557666771.db2.gz WWWSRILNRRPIHA-IRXDYDNUSA-N 0 0 415.599 6.478 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000022655829 557666816 /nfs/dbraw/zinc/66/68/16/557666816.db2.gz WWWSRILNRRPIHA-DLBZAZTESA-N 0 0 415.599 6.478 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(OC)cc1 ZINC000022655831 557666756 /nfs/dbraw/zinc/66/67/56/557666756.db2.gz JYHIJPXSASTORP-AWEZNQCLSA-N 0 0 403.544 5.725 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(OC)cc1 ZINC000022655833 557666751 /nfs/dbraw/zinc/66/67/51/557666751.db2.gz JYHIJPXSASTORP-CQSZACIVSA-N 0 0 403.544 5.725 50 0 HKAARN COc1ccc(-c2ccc(C(=O)N[C@@H](C)CCCC(C)C)s2)c(OC)c1OC ZINC000022655891 557666785 /nfs/dbraw/zinc/66/67/85/557666785.db2.gz FMJQCDNICRIULE-HNNXBMFYSA-N 0 0 405.560 5.386 50 0 HKAARN COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCC(C)C)s2)c(OC)c1OC ZINC000022655893 557666776 /nfs/dbraw/zinc/66/67/76/557666776.db2.gz FMJQCDNICRIULE-OAHLLOKOSA-N 0 0 405.560 5.386 50 0 HKAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022656614 557671758 /nfs/dbraw/zinc/67/17/58/557671758.db2.gz DKRALNKGFCZIST-QRQCRPRQSA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022656616 557671772 /nfs/dbraw/zinc/67/17/72/557671772.db2.gz DKRALNKGFCZIST-NYHFZMIOSA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022656618 557671747 /nfs/dbraw/zinc/67/17/47/557671747.db2.gz DKRALNKGFCZIST-IVZQSRNASA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022656621 557671816 /nfs/dbraw/zinc/67/18/16/557671816.db2.gz DKRALNKGFCZIST-OYHNWAKOSA-N 0 0 401.934 5.268 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1cccc(OC)c1 ZINC000022657075 557674349 /nfs/dbraw/zinc/67/43/49/557674349.db2.gz RDHUOCXIEGJPPV-AWEZNQCLSA-N 0 0 403.544 5.725 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1cccc(OC)c1 ZINC000022657079 557674420 /nfs/dbraw/zinc/67/44/20/557674420.db2.gz RDHUOCXIEGJPPV-CQSZACIVSA-N 0 0 403.544 5.725 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022657555 557674736 /nfs/dbraw/zinc/67/47/36/557674736.db2.gz ZIKCUBAJOJNOIO-QFIPXVFZSA-N 0 0 401.934 5.268 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022657558 557674756 /nfs/dbraw/zinc/67/47/56/557674756.db2.gz ZIKCUBAJOJNOIO-JOCHJYFZSA-N 0 0 401.934 5.268 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)CC(C)(C)C)CC2 ZINC000022658698 557706757 /nfs/dbraw/zinc/70/67/57/557706757.db2.gz ZRKRNRICRHFEDU-QFIPXVFZSA-N 0 0 401.934 5.268 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)CC(C)(C)C)CC2 ZINC000022658701 557706687 /nfs/dbraw/zinc/70/66/87/557706687.db2.gz ZRKRNRICRHFEDU-JOCHJYFZSA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022658730 557706759 /nfs/dbraw/zinc/70/67/59/557706759.db2.gz GNDRYCWQQLWZAG-QRQCRPRQSA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022658734 557706651 /nfs/dbraw/zinc/70/66/51/557706651.db2.gz GNDRYCWQQLWZAG-NYHFZMIOSA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1Cl ZINC000022658738 557706915 /nfs/dbraw/zinc/70/69/15/557706915.db2.gz GNDRYCWQQLWZAG-IVZQSRNASA-N 0 0 401.934 5.268 50 0 HKAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1Cl ZINC000022658742 557706856 /nfs/dbraw/zinc/70/68/56/557706856.db2.gz GNDRYCWQQLWZAG-OYHNWAKOSA-N 0 0 401.934 5.268 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(Cl)nc1 ZINC000022658940 557706921 /nfs/dbraw/zinc/70/69/21/557706921.db2.gz GWLMAJBPKYFHKA-LBPRGKRZSA-N 0 0 408.951 5.765 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(Cl)nc1 ZINC000022658942 557706853 /nfs/dbraw/zinc/70/68/53/557706853.db2.gz GWLMAJBPKYFHKA-GFCCVEGCSA-N 0 0 408.951 5.765 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1OC ZINC000022659103 557706844 /nfs/dbraw/zinc/70/68/44/557706844.db2.gz LEAHONQQASKECQ-AWEZNQCLSA-N 0 0 403.544 5.725 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1OC ZINC000022659107 557706927 /nfs/dbraw/zinc/70/69/27/557706927.db2.gz LEAHONQQASKECQ-CQSZACIVSA-N 0 0 403.544 5.725 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)CCC1CCCC1)CC2 ZINC000022659345 557706859 /nfs/dbraw/zinc/70/68/59/557706859.db2.gz GAOAIHAJUODWKJ-VWLOTQADSA-N 0 0 411.517 5.287 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)CCC1CCCC1)CC2 ZINC000022659348 557706900 /nfs/dbraw/zinc/70/69/00/557706900.db2.gz GAOAIHAJUODWKJ-RUZDIDTESA-N 0 0 411.517 5.287 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022659728 557707989 /nfs/dbraw/zinc/70/79/89/557707989.db2.gz ITFOHTBGNBUZNK-QFIPXVFZSA-N 0 0 401.934 5.268 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1Cl ZINC000022659732 557707993 /nfs/dbraw/zinc/70/79/93/557707993.db2.gz ITFOHTBGNBUZNK-JOCHJYFZSA-N 0 0 401.934 5.268 50 0 HKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1NCCC1=CCCCC1 ZINC000022660177 557707926 /nfs/dbraw/zinc/70/79/26/557707926.db2.gz COFGNGQPGIVHLP-UHFFFAOYSA-N 0 0 419.447 5.642 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1cccc(OC)c1 ZINC000022661138 557709335 /nfs/dbraw/zinc/70/93/35/557709335.db2.gz FHNDJVWLLOSBSL-INIZCTEOSA-N 0 0 415.555 6.036 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1cccc(Cl)c1 ZINC000022661383 557709282 /nfs/dbraw/zinc/70/92/82/557709282.db2.gz QMHQWTUOVQYJIH-HNNXBMFYSA-N 0 0 419.974 6.680 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000022661471 557709384 /nfs/dbraw/zinc/70/93/84/557709384.db2.gz LSPZOGKCLRQRGD-KRWDZBQOSA-N 0 0 413.583 5.647 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000022661475 557706468 /nfs/dbraw/zinc/70/64/68/557706468.db2.gz LSPZOGKCLRQRGD-QGZVFWFLSA-N 0 0 413.583 5.647 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000022661689 557707245 /nfs/dbraw/zinc/70/72/45/557707245.db2.gz MAQKWDRIAVQXGC-LBPRGKRZSA-N 0 0 409.498 5.995 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000022661693 557707673 /nfs/dbraw/zinc/70/76/73/557707673.db2.gz MAQKWDRIAVQXGC-GFCCVEGCSA-N 0 0 409.498 5.995 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000022661830 557711604 /nfs/dbraw/zinc/71/16/04/557711604.db2.gz RCPUKZTWPAOKPF-AWEZNQCLSA-N 0 0 403.544 5.538 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000022661833 557711708 /nfs/dbraw/zinc/71/17/08/557711708.db2.gz RCPUKZTWPAOKPF-CQSZACIVSA-N 0 0 403.544 5.538 50 0 HKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N1CCCCCCC1 ZINC000022662192 557711687 /nfs/dbraw/zinc/71/16/87/557711687.db2.gz ZMVGRWCNVQQURE-UHFFFAOYSA-N 0 0 407.436 5.110 50 0 HKAARN CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N(C)C1CCCCC1 ZINC000022662368 557711611 /nfs/dbraw/zinc/71/16/11/557711611.db2.gz LFRXNBLTUSAHLP-UHFFFAOYSA-N 0 0 407.436 5.108 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1ccccc1OC ZINC000022663259 557716697 /nfs/dbraw/zinc/71/66/97/557716697.db2.gz RCBWJAPHHAAYED-INIZCTEOSA-N 0 0 415.555 6.036 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cccc(OC)c3)c2C(=O)OCC)C1 ZINC000022663738 557716778 /nfs/dbraw/zinc/71/67/78/557716778.db2.gz IQKCGXBBEDJHPM-CQSZACIVSA-N 0 0 401.528 5.091 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)c3cccc(OC)c3)c2C(=O)OCC)C1 ZINC000022663740 557716942 /nfs/dbraw/zinc/71/69/42/557716942.db2.gz IQKCGXBBEDJHPM-AWEZNQCLSA-N 0 0 401.528 5.091 50 0 HKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000022663790 557716940 /nfs/dbraw/zinc/71/69/40/557716940.db2.gz LIHBHUISFNXXPY-UHFFFAOYSA-N 0 0 417.474 5.912 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1cc(F)ccc1F ZINC000022663949 557712046 /nfs/dbraw/zinc/71/20/46/557712046.db2.gz XUWKMEVIRCRPJI-LBPRGKRZSA-N 0 0 409.498 5.995 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1cc(F)ccc1F ZINC000022663953 557712077 /nfs/dbraw/zinc/71/20/77/557712077.db2.gz XUWKMEVIRCRPJI-GFCCVEGCSA-N 0 0 409.498 5.995 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)CC1CCCC1)CC2 ZINC000022664420 557712050 /nfs/dbraw/zinc/71/20/50/557712050.db2.gz OPWARPVZSXNMMU-DEOSSOPVSA-N 0 0 413.945 5.412 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)CC1CCCC1)CC2 ZINC000022664425 557712279 /nfs/dbraw/zinc/71/22/79/557712279.db2.gz OPWARPVZSXNMMU-XMMPIXPASA-N 0 0 413.945 5.412 50 0 HKAARN COc1ccc(-c2ccc(C(=O)N(CC(C)C)CC(C)C)s2)c(OC)c1OC ZINC000022664817 558504143 /nfs/dbraw/zinc/50/41/43/558504143.db2.gz UYSCUPMIGSVEQB-UHFFFAOYSA-N 0 0 405.560 5.195 50 0 HKAARN O=C(N1CCc2ccccc2[C@@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000022665218 557713796 /nfs/dbraw/zinc/71/37/96/557713796.db2.gz DXYKVSWRZFZLOP-YSRWDZFWSA-N 0 0 405.969 6.031 50 0 HKAARN O=C(N1CCc2ccccc2[C@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000022665221 557714109 /nfs/dbraw/zinc/71/41/09/557714109.db2.gz DXYKVSWRZFZLOP-XJVZSZGSSA-N 0 0 405.969 6.031 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1c(F)cccc1F ZINC000022665397 557714101 /nfs/dbraw/zinc/71/41/01/557714101.db2.gz RJHONRHUGFJXOJ-LBPRGKRZSA-N 0 0 409.498 5.995 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1c(F)cccc1F ZINC000022665402 557714112 /nfs/dbraw/zinc/71/41/12/557714112.db2.gz RJHONRHUGFJXOJ-GFCCVEGCSA-N 0 0 409.498 5.995 50 0 HKAARN CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000022665508 557715083 /nfs/dbraw/zinc/71/50/83/557715083.db2.gz AXZMEWLIRIRTIT-SFHVURJKSA-N 0 0 411.567 5.716 50 0 HKAARN CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022665513 557715062 /nfs/dbraw/zinc/71/50/62/557715062.db2.gz AXZMEWLIRIRTIT-GOSISDBHSA-N 0 0 411.567 5.716 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022665577 557715067 /nfs/dbraw/zinc/71/50/67/557715067.db2.gz RQYIPIULTWQFMG-JOCHJYFZSA-N 0 0 413.561 5.992 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022665581 557715079 /nfs/dbraw/zinc/71/50/79/557715079.db2.gz RQYIPIULTWQFMG-QFIPXVFZSA-N 0 0 413.561 5.992 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H](CC)c3ccccc3)c2C(=O)OCC)C1 ZINC000022665874 557715522 /nfs/dbraw/zinc/71/55/22/557715522.db2.gz RLVOLSWHYLHCHB-AEFFLSMTSA-N 0 0 413.583 5.962 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)[C@@H](CC)c3ccccc3)c2C(=O)OCC)C1 ZINC000022665878 557715513 /nfs/dbraw/zinc/71/55/13/557715513.db2.gz RLVOLSWHYLHCHB-WMZOPIPTSA-N 0 0 413.583 5.962 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)[C@H](CC)c3ccccc3)c2C(=O)OCC)C1 ZINC000022665881 557715478 /nfs/dbraw/zinc/71/54/78/557715478.db2.gz RLVOLSWHYLHCHB-SJLPKXTDSA-N 0 0 413.583 5.962 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)[C@H](CC)c3ccccc3)c2C(=O)OCC)C1 ZINC000022665885 557715495 /nfs/dbraw/zinc/71/54/95/557715495.db2.gz RLVOLSWHYLHCHB-FUHWJXTLSA-N 0 0 413.583 5.962 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)CC1CCCC1)CC2 ZINC000022666788 557720126 /nfs/dbraw/zinc/72/01/26/557720126.db2.gz OHZZIXOOGLUSEA-DEOSSOPVSA-N 0 0 413.945 5.412 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)CC1CCCC1)CC2 ZINC000022666791 557720168 /nfs/dbraw/zinc/72/01/68/557720168.db2.gz OHZZIXOOGLUSEA-XMMPIXPASA-N 0 0 413.945 5.412 50 0 HKAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 ZINC000022666924 557720133 /nfs/dbraw/zinc/72/01/33/557720133.db2.gz RRVLSMHNTMSWCK-SANMLTNESA-N 0 0 423.553 5.157 50 0 HKAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 ZINC000022666927 557720079 /nfs/dbraw/zinc/72/00/79/557720079.db2.gz RRVLSMHNTMSWCK-AREMUKBSSA-N 0 0 423.553 5.157 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)C1CCCCC1)CC2 ZINC000022666948 557720119 /nfs/dbraw/zinc/72/01/19/557720119.db2.gz WAEOXOCOMGTJSH-QHCPKHFHSA-N 0 0 413.945 5.412 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)C1CCCCC1)CC2 ZINC000022666951 557720101 /nfs/dbraw/zinc/72/01/01/557720101.db2.gz WAEOXOCOMGTJSH-HSZRJFAPSA-N 0 0 413.945 5.412 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1OCC ZINC000022667047 557720351 /nfs/dbraw/zinc/72/03/51/557720351.db2.gz HDQRVCKTFJPYLK-HNNXBMFYSA-N 0 0 417.571 6.116 50 0 HKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1OCC ZINC000022667050 557720544 /nfs/dbraw/zinc/72/05/44/557720544.db2.gz HDQRVCKTFJPYLK-OAHLLOKOSA-N 0 0 417.571 6.116 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1ccc(F)cc1F ZINC000022667228 557720533 /nfs/dbraw/zinc/72/05/33/557720533.db2.gz VLRZKXUBWADHDD-AWEZNQCLSA-N 0 0 421.509 6.305 50 0 HKAARN CCN(C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1)C1CCCCC1 ZINC000022667523 557717088 /nfs/dbraw/zinc/71/70/88/557717088.db2.gz ZADXAIPOAYDBAN-UHFFFAOYSA-N 0 0 403.544 5.236 50 0 HKAARN CCCCCn1cc(C2CCN(C(=O)COc3ccccc3)CC2)c2ccccc21 ZINC000022667682 557717499 /nfs/dbraw/zinc/71/74/99/557717499.db2.gz YVJUJKRDRJKTMQ-UHFFFAOYSA-N 0 0 404.554 5.617 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1cc(F)ccc1F ZINC000022667856 557717673 /nfs/dbraw/zinc/71/76/73/557717673.db2.gz RKIWJUIBIHOMJC-AWEZNQCLSA-N 0 0 421.509 6.305 50 0 HKAARN COc1cccc(NC(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022668118 557717996 /nfs/dbraw/zinc/71/79/96/557717996.db2.gz AOWFVPFPSPRZNP-UHFFFAOYSA-N 0 0 400.522 5.849 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3)c2C(=O)OCC)C1 ZINC000022668201 557735523 /nfs/dbraw/zinc/73/55/23/557735523.db2.gz OXMLXCFTPGROQH-GFCCVEGCSA-N 0 0 407.482 5.360 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3)c2C(=O)OCC)C1 ZINC000022668204 557735487 /nfs/dbraw/zinc/73/54/87/557735487.db2.gz OXMLXCFTPGROQH-LBPRGKRZSA-N 0 0 407.482 5.360 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(SC(F)(F)F)cc1)CCC2 ZINC000022668636 557735787 /nfs/dbraw/zinc/73/57/87/557735787.db2.gz GYYHHIYIAVMGDT-UHFFFAOYSA-N 0 0 415.458 5.278 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)C(C)(C)C)CC2 ZINC000022668659 557735807 /nfs/dbraw/zinc/73/58/07/557735807.db2.gz JGAZVNDIBLDHNS-HXUWFJFHSA-N 0 0 405.897 5.017 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)C(C)(C)C)CC2 ZINC000022668662 557735721 /nfs/dbraw/zinc/73/57/21/557735721.db2.gz JGAZVNDIBLDHNS-FQEVSTJZSA-N 0 0 405.897 5.017 50 0 HKAARN COc1ccc(NC(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000022668784 557735801 /nfs/dbraw/zinc/73/58/01/557735801.db2.gz UKNYPOLXPXNDPA-UHFFFAOYSA-N 0 0 414.549 6.239 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)c1c(F)cccc1F ZINC000022669103 557735796 /nfs/dbraw/zinc/73/57/96/557735796.db2.gz BXZWNUQWDBGASL-AWEZNQCLSA-N 0 0 421.509 6.305 50 0 HKAARN COc1cccc(NC(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022669959 557735993 /nfs/dbraw/zinc/73/59/93/557735993.db2.gz FBATVBSQGYAPGS-UHFFFAOYSA-N 0 0 414.549 6.239 50 0 HKAARN CCCc1cc(C(=O)OCC)c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000022670013 557735977 /nfs/dbraw/zinc/73/59/77/557735977.db2.gz UGKKVSMIAYGVGO-UHFFFAOYSA-N 0 0 419.974 5.981 50 0 HKAARN COc1ccccc1NC(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022671417 557735037 /nfs/dbraw/zinc/73/50/37/557735037.db2.gz DIBBQGXEKKCYFI-UHFFFAOYSA-N 0 0 414.549 6.239 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(=O)OCC)C1 ZINC000022671602 557735276 /nfs/dbraw/zinc/73/52/76/557735276.db2.gz XEIAKYOQFHSSKW-GFCCVEGCSA-N 0 0 407.482 5.360 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(=O)OCC)C1 ZINC000022671606 557735485 /nfs/dbraw/zinc/73/54/85/557735485.db2.gz XEIAKYOQFHSSKW-LBPRGKRZSA-N 0 0 407.482 5.360 50 0 HKAARN O=C(COc1cccc(Cl)c1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022672001 557736806 /nfs/dbraw/zinc/73/68/06/557736806.db2.gz ZQPYTFGIEOQRMD-UHFFFAOYSA-N 0 0 419.952 5.867 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022672108 557736921 /nfs/dbraw/zinc/73/69/21/557736921.db2.gz FUSWMUPJRZCIEZ-UHFFFAOYSA-N 0 0 413.348 5.879 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022672115 557736867 /nfs/dbraw/zinc/73/68/67/557736867.db2.gz MPEBSQKKUVRMLS-CCEZHUSRSA-N 0 0 415.964 6.502 50 0 HKAARN O=C(c1cc(F)cc(F)c1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022672202 557737104 /nfs/dbraw/zinc/73/71/04/557737104.db2.gz OUYXLEPTIOEZQV-UHFFFAOYSA-N 0 0 405.488 6.117 50 0 HKAARN O=C(c1ccc(F)cc1F)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022672557 557737097 /nfs/dbraw/zinc/73/70/97/557737097.db2.gz QYRCUYZZBAUMMM-UHFFFAOYSA-N 0 0 405.488 6.117 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022673191 557736674 /nfs/dbraw/zinc/73/66/74/557736674.db2.gz LNNQBORIJHFMNY-UHFFFAOYSA-N 0 0 413.348 5.879 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000022673492 557736888 /nfs/dbraw/zinc/73/68/88/557736888.db2.gz UHAIWYFWSUIITG-UHFFFAOYSA-N 0 0 423.578 5.671 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC(C)C)CC2 ZINC000022673566 557736841 /nfs/dbraw/zinc/73/68/41/557736841.db2.gz SHXQHNMTFYXGNP-QFIPXVFZSA-N 0 0 421.459 5.243 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC(C)C)CC2 ZINC000022673569 557736875 /nfs/dbraw/zinc/73/68/75/557736875.db2.gz SHXQHNMTFYXGNP-JOCHJYFZSA-N 0 0 421.459 5.243 50 0 HKAARN CCOc1ccc(NC(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000022673851 571315404 /nfs/dbraw/zinc/31/54/04/571315404.db2.gz CQDHDYVFQDVLCM-UHFFFAOYSA-N 0 0 414.549 6.239 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000022674227 557737670 /nfs/dbraw/zinc/73/76/70/557737670.db2.gz OQDCPHIFDQUDLH-AWEZNQCLSA-N 0 0 419.612 5.709 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000022674231 557737586 /nfs/dbraw/zinc/73/75/86/557737586.db2.gz OQDCPHIFDQUDLH-CQSZACIVSA-N 0 0 419.612 5.709 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)CC)C2 ZINC000022674466 557737808 /nfs/dbraw/zinc/73/78/08/557737808.db2.gz QFGGQCAMNQWGOR-AWEZNQCLSA-N 0 0 417.546 5.857 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000022674470 557737798 /nfs/dbraw/zinc/73/77/98/557737798.db2.gz QFGGQCAMNQWGOR-CQSZACIVSA-N 0 0 417.546 5.857 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C=C(C)C)CC2 ZINC000022675128 557737997 /nfs/dbraw/zinc/73/79/97/557737997.db2.gz WEELMMSPQSIQFZ-QFIPXVFZSA-N 0 0 419.443 5.163 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C=C(C)C)CC2 ZINC000022675132 557738067 /nfs/dbraw/zinc/73/80/67/557738067.db2.gz WEELMMSPQSIQFZ-JOCHJYFZSA-N 0 0 419.443 5.163 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1c(F)cccc1Cl ZINC000022675266 557738072 /nfs/dbraw/zinc/73/80/72/557738072.db2.gz RDZJDYLQCMYATF-JOCHJYFZSA-N 0 0 419.924 5.407 50 0 HKAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1c(F)cccc1Cl ZINC000022675270 557738018 /nfs/dbraw/zinc/73/80/18/557738018.db2.gz RDZJDYLQCMYATF-QFIPXVFZSA-N 0 0 419.924 5.407 50 0 HKAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000022690952 558504895 /nfs/dbraw/zinc/50/48/95/558504895.db2.gz ZBUSONSHCNFZHJ-UHFFFAOYSA-N 0 0 418.522 5.300 50 0 HKAARN Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cs1 ZINC000022691274 557777833 /nfs/dbraw/zinc/77/78/33/557777833.db2.gz RKAIHYMCMBXAHJ-UHFFFAOYSA-N 0 0 408.310 5.172 50 0 HKAARN CC(C)OCCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000022698768 558505293 /nfs/dbraw/zinc/50/52/93/558505293.db2.gz NALHTZVGWZHRGW-UHFFFAOYSA-N 0 0 401.503 5.164 50 0 HKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000022699055 557793823 /nfs/dbraw/zinc/79/38/23/557793823.db2.gz KKRQUBGLIFOZSQ-UHFFFAOYSA-N 0 0 401.418 5.301 50 0 HKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000022699058 557793752 /nfs/dbraw/zinc/79/37/52/557793752.db2.gz FFBSFIGAQLVJAB-UHFFFAOYSA-N 0 0 415.445 5.344 50 0 HKAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c[nH]c(=S)n1-c1ccccc1 ZINC000022703979 557795652 /nfs/dbraw/zinc/79/56/52/557795652.db2.gz FLNSCXBVXHKETI-UHFFFAOYSA-N 0 0 407.495 5.219 50 0 HKAARN O=C(Cc1cccs1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 ZINC000022714512 557802135 /nfs/dbraw/zinc/80/21/35/557802135.db2.gz SVDDYDUUFZFQGG-UHFFFAOYSA-N 0 0 404.516 5.284 50 0 HKAARN CCc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc1 ZINC000022714724 132475604 /nfs/dbraw/zinc/47/56/04/132475604.db2.gz LGAYWUPVGMOIMN-GOSISDBHSA-N 0 0 403.526 5.051 50 0 HKAARN CCc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)cc1 ZINC000022714728 557802030 /nfs/dbraw/zinc/80/20/30/557802030.db2.gz LGAYWUPVGMOIMN-SFHVURJKSA-N 0 0 403.526 5.051 50 0 HKAARN O=C(Nc1ccccc1)c1cc(Cl)ccc1OCc1nc(-c2ccc(F)cc2)no1 ZINC000022748114 557810089 /nfs/dbraw/zinc/81/00/89/557810089.db2.gz IYJVPGVMHRMKML-UHFFFAOYSA-N 0 0 423.831 5.360 50 0 HKAARN Clc1ccc(-c2cc(CSc3nnc(CC4CCCC4)[nH]3)on2)c(Cl)c1 ZINC000022748449 558507337 /nfs/dbraw/zinc/50/73/37/558507337.db2.gz GOYMRLKVBJZRLK-UHFFFAOYSA-N 0 0 409.342 5.792 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022766003 519778749 /nfs/dbraw/zinc/77/87/49/519778749.db2.gz JUMYVZFBQVUZJH-XMMPIXPASA-N 0 0 420.578 5.065 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022766007 519778746 /nfs/dbraw/zinc/77/87/46/519778746.db2.gz JUMYVZFBQVUZJH-DEOSSOPVSA-N 0 0 420.578 5.065 50 0 HKAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766063 526581966 /nfs/dbraw/zinc/58/19/66/526581966.db2.gz LQIRNQQRFRSOSE-HXUWFJFHSA-N 0 0 414.933 5.070 50 0 HKAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022766067 526494229 /nfs/dbraw/zinc/49/42/29/526494229.db2.gz LQIRNQQRFRSOSE-FQEVSTJZSA-N 0 0 414.933 5.070 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2cc3ccccc3o2)on1 ZINC000022768732 557818618 /nfs/dbraw/zinc/81/86/18/557818618.db2.gz ISJMQHSQMLTIAM-UHFFFAOYSA-N 0 0 417.248 5.090 50 0 HKAARN COc1cc(Br)c(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC000022776821 568499511 /nfs/dbraw/zinc/49/95/11/568499511.db2.gz ACQNLTQHCUIYOO-JTQLQIEISA-N 0 0 419.146 5.624 50 0 HKAARN COc1cc(Br)c(CN[C@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC000022776826 568499518 /nfs/dbraw/zinc/49/95/18/568499518.db2.gz ACQNLTQHCUIYOO-SNVBAGLBSA-N 0 0 419.146 5.624 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(NC3CC3)s2)n1 ZINC000022809424 558514071 /nfs/dbraw/zinc/51/40/71/558514071.db2.gz XUTICGGNQLYGMC-UHFFFAOYSA-N 0 0 403.583 5.305 50 0 HKAARN Fc1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c(Cl)c1 ZINC000022819565 558514577 /nfs/dbraw/zinc/51/45/77/558514577.db2.gz XYVNSWRTWVFFOC-UHFFFAOYSA-N 0 0 416.953 5.007 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000022828262 557837606 /nfs/dbraw/zinc/83/76/06/557837606.db2.gz XKVATFPUACFGGF-UHFFFAOYSA-N 0 0 405.542 5.289 50 0 HKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(Cc2cccnc2)CC1 ZINC000022851276 558516806 /nfs/dbraw/zinc/51/68/06/558516806.db2.gz JYYXJMYNOQHEOM-UHFFFAOYSA-N 0 0 424.548 5.030 50 0 HKAARN COc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)C3CCCC3)nc21 ZINC000022855246 557842471 /nfs/dbraw/zinc/84/24/71/557842471.db2.gz NQTOBZWKMIBMLV-UHFFFAOYSA-N 0 0 401.919 5.077 50 0 HKAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000022864145 557843404 /nfs/dbraw/zinc/84/34/04/557843404.db2.gz SMANXXCATUTDDT-DAXSKMNVSA-N 0 0 404.504 5.385 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000022873094 557843629 /nfs/dbraw/zinc/84/36/29/557843629.db2.gz KTZYIKDGXMZXCU-UHFFFAOYSA-N 0 0 411.210 6.327 50 0 HKAARN COc1cccc(NC(=O)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000022873102 557843544 /nfs/dbraw/zinc/84/35/44/557843544.db2.gz IYCJOVZCJWLJHV-UHFFFAOYSA-N 0 0 406.791 5.682 50 0 HKAARN Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1Cc1ccc2c(c1)OCO2 ZINC000022880228 526994439 /nfs/dbraw/zinc/99/44/39/526994439.db2.gz DTFQAQDTEUSGGX-UHFFFAOYSA-N 0 0 420.412 5.042 50 0 HKAARN CN(C(=O)CSc1nnc(C2CCCCC2)o1)C(c1ccccc1)c1ccccc1 ZINC000022891246 558518838 /nfs/dbraw/zinc/51/88/38/558518838.db2.gz BEHDGZVNZRADAQ-UHFFFAOYSA-N 0 0 421.566 5.457 50 0 HKAARN Brc1ccccc1-c1nnc(CSc2nnc(C3CCCCC3)o2)o1 ZINC000022892196 558518936 /nfs/dbraw/zinc/51/89/36/558518936.db2.gz YOIYXQFQBOWSRV-UHFFFAOYSA-N 0 0 421.320 5.222 50 0 HKAARN O=c1cc(CSc2nnc(C3CCCCC3)o2)c2ccc(Br)cc2o1 ZINC000022892457 558518858 /nfs/dbraw/zinc/51/88/58/558518858.db2.gz WKUCLJGDUZWJMD-UHFFFAOYSA-N 0 0 421.316 5.279 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3ccc(F)cc3F)c2oc1-c1ccccc1 ZINC000022895407 558519091 /nfs/dbraw/zinc/51/90/91/558519091.db2.gz KYCIVHBYNSCYIN-UHFFFAOYSA-N 0 0 419.427 5.319 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)c1 ZINC000022897596 568500308 /nfs/dbraw/zinc/50/03/08/568500308.db2.gz YFEIHWVTPAWBBZ-UHFFFAOYSA-N 0 0 407.832 5.757 50 0 HKAARN COc1ccc(C(=O)N(Cc2ccco2)c2nc3c(ccc(C)c3C)s2)cc1OC ZINC000022901325 557851227 /nfs/dbraw/zinc/85/12/27/557851227.db2.gz RIUZTXQDSNBHFV-UHFFFAOYSA-N 0 0 422.506 5.370 50 0 HKAARN COCc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)sc2cccc(F)c21 ZINC000022901928 558519487 /nfs/dbraw/zinc/51/94/87/558519487.db2.gz 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ZINC000022907668 568416062 /nfs/dbraw/zinc/41/60/62/568416062.db2.gz AVCPNPDCRJGJEB-FQEVSTJZSA-N 0 0 411.958 5.323 50 0 HKAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907887 568416178 /nfs/dbraw/zinc/41/61/78/568416178.db2.gz PKQGLTCNFSABPS-LJQANCHMSA-N 0 0 414.933 5.070 50 0 HKAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907890 568416057 /nfs/dbraw/zinc/41/60/57/568416057.db2.gz PKQGLTCNFSABPS-IBGZPJMESA-N 0 0 414.933 5.070 50 0 HKAARN Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1Cc1ccc2c(c1)OCO2 ZINC000022921995 558522580 /nfs/dbraw/zinc/52/25/80/558522580.db2.gz QAGMVEZPMMXRHN-UHFFFAOYSA-N 0 0 420.412 5.042 50 0 HKAARN COc1ccc(C)cc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926728 558523427 /nfs/dbraw/zinc/52/34/27/558523427.db2.gz CSAFXUWXZIZOAX-UHFFFAOYSA-N 0 0 422.519 5.189 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000022932549 558524947 /nfs/dbraw/zinc/52/49/47/558524947.db2.gz JUSLZLGNKNERGZ-UHFFFAOYSA-N 0 0 421.610 5.089 50 0 HKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2csc(-c3ccco3)n2)s1 ZINC000022966502 558759609 /nfs/dbraw/zinc/75/96/09/558759609.db2.gz CARWMXRORBYUJC-UHFFFAOYSA-N 0 0 422.575 5.587 50 0 HKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1Oc1ccccc1Cl ZINC000022967594 558760414 /nfs/dbraw/zinc/76/04/14/558760414.db2.gz MRAOCVGSMQKXBQ-UHFFFAOYSA-N 0 0 410.882 6.030 50 0 HKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000022968128 558528292 /nfs/dbraw/zinc/52/82/92/558528292.db2.gz KNJBSTDOSPOGTF-UHFFFAOYSA-N 0 0 401.447 5.393 50 0 HKAARN O=C(Nc1nc2ccccc2s1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000022968739 558528303 /nfs/dbraw/zinc/52/83/03/558528303.db2.gz XKZRUTFKADVAAU-UHFFFAOYSA-N 0 0 422.819 5.407 50 0 HKAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000022968996 558528282 /nfs/dbraw/zinc/52/82/82/558528282.db2.gz ULDQAOFGOZMBOU-UHFFFAOYSA-N 0 0 421.497 5.107 50 0 HKAARN Cc1nc2cc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)ccc2o1 ZINC000022969104 558809841 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HKAARN O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000023126187 558535821 /nfs/dbraw/zinc/53/58/21/558535821.db2.gz UPQPUPRRBFQQHN-UHFFFAOYSA-N 0 0 404.388 5.331 50 0 HKAARN CCOc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000023126193 559014031 /nfs/dbraw/zinc/01/40/31/559014031.db2.gz DEHDFYMGUNSICM-UHFFFAOYSA-N 0 0 419.506 5.504 50 0 HKAARN COc1ccccc1-c1nc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)c(C)o1 ZINC000023126198 559014052 /nfs/dbraw/zinc/01/40/52/559014052.db2.gz CCUUXXUZSLEWST-UHFFFAOYSA-N 0 0 405.479 5.114 50 0 HKAARN CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 ZINC000023126354 558535808 /nfs/dbraw/zinc/53/58/08/558535808.db2.gz XGHUHNXOUAJEEZ-UHFFFAOYSA-N 0 0 417.534 5.106 50 0 HKAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023126393 559014152 /nfs/dbraw/zinc/01/41/52/559014152.db2.gz VTJJSAFGHPKJLB-UHFFFAOYSA-N 0 0 410.886 5.153 50 0 HKAARN Fc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 ZINC000023126588 559014306 /nfs/dbraw/zinc/01/43/06/559014306.db2.gz YIMWGPWOCIUDJQ-UHFFFAOYSA-N 0 0 414.303 5.590 50 0 HKAARN Fc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 ZINC000023126590 559014313 /nfs/dbraw/zinc/01/43/13/559014313.db2.gz YMSJNBKLEDZLSU-UHFFFAOYSA-N 0 0 403.404 5.847 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1Cl ZINC000023126599 559014423 /nfs/dbraw/zinc/01/44/23/559014423.db2.gz JIMJWMNDQRQVQL-UHFFFAOYSA-N 0 0 409.942 6.049 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1Cl ZINC000023126600 559014377 /nfs/dbraw/zinc/01/43/77/559014377.db2.gz VNYFTBGUPZBNBS-UHFFFAOYSA-N 0 0 409.942 6.049 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1Cl ZINC000023126601 559014393 /nfs/dbraw/zinc/01/43/93/559014393.db2.gz BYEWBIPWCHEZJU-UHFFFAOYSA-N 0 0 409.942 6.049 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1Cl ZINC000023126603 559014421 /nfs/dbraw/zinc/01/44/21/559014421.db2.gz LMSLGXOJHKKEEH-UHFFFAOYSA-N 0 0 413.905 5.880 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1Cl ZINC000023126604 559014407 /nfs/dbraw/zinc/01/44/07/559014407.db2.gz HGLCLQKAVLFERS-UHFFFAOYSA-N 0 0 413.905 5.880 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1Cl ZINC000023126605 559013577 /nfs/dbraw/zinc/01/35/77/559013577.db2.gz PUVJUMQNGISMSK-UHFFFAOYSA-N 0 0 413.905 5.880 50 0 HKAARN COc1ccc(-c2csc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000023126650 558535978 /nfs/dbraw/zinc/53/59/78/558535978.db2.gz GECBDQAZPZRVCO-UHFFFAOYSA-N 0 0 416.424 5.201 50 0 HKAARN COc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1OC ZINC000023126673 559014065 /nfs/dbraw/zinc/01/40/65/559014065.db2.gz BSIXMWIYUMAQMK-UHFFFAOYSA-N 0 0 412.902 5.037 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000023126781 558536008 /nfs/dbraw/zinc/53/60/08/558536008.db2.gz ZMQYGDPUTLOYFL-UHFFFAOYSA-N 0 0 423.925 5.034 50 0 HKAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000023126782 558536077 /nfs/dbraw/zinc/53/60/77/558536077.db2.gz OGDGNQZIOVMJHT-UHFFFAOYSA-N 0 0 423.925 5.034 50 0 HKAARN O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000023126809 559015623 /nfs/dbraw/zinc/01/56/23/559015623.db2.gz IEPIAAMBFQGDDI-UHFFFAOYSA-N 0 0 420.843 5.846 50 0 HKAARN CCOc1ccc(-c2cc3c(SCC(=O)c4cccc(Cl)c4)nccn3n2)cc1 ZINC000023126813 559015615 /nfs/dbraw/zinc/01/56/15/559015615.db2.gz HEHFXTKJPQZMPI-UHFFFAOYSA-N 0 0 423.925 5.423 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccco5)on4)cc3)sc2c1 ZINC000023127249 559015798 /nfs/dbraw/zinc/01/57/98/559015798.db2.gz MNVQSSBRYJBXRE-UHFFFAOYSA-N 0 0 415.474 5.701 50 0 HKAARN CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1 ZINC000023128370 558536272 /nfs/dbraw/zinc/53/62/72/558536272.db2.gz JSEYMIRQUFRYMI-KQRQPNSISA-N 0 0 410.539 5.187 50 0 HKAARN CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1 ZINC000023128371 558536353 /nfs/dbraw/zinc/53/63/53/558536353.db2.gz JSEYMIRQUFRYMI-NOEYKIMYSA-N 0 0 410.539 5.187 50 0 HKAARN CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=N)NC2=O)cc1 ZINC000023128375 558536223 /nfs/dbraw/zinc/53/62/23/558536223.db2.gz NLSAHLKYAKCPBR-KQRQPNSISA-N 0 0 410.539 5.187 50 0 HKAARN CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=N)NC2=O)cc1 ZINC000023128376 558536395 /nfs/dbraw/zinc/53/63/95/558536395.db2.gz NLSAHLKYAKCPBR-NOEYKIMYSA-N 0 0 410.539 5.187 50 0 HKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3nccnc23)c1 ZINC000023129065 558536637 /nfs/dbraw/zinc/53/66/37/558536637.db2.gz QAPHPDZQAYBJOE-MHZLTWQESA-N 0 0 420.516 5.267 50 0 HKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3nccnc23)c1 ZINC000023129066 558536623 /nfs/dbraw/zinc/53/66/23/558536623.db2.gz QAPHPDZQAYBJOE-HHHXNRCGSA-N 0 0 420.516 5.267 50 0 HKAARN O=C(NCc1ccccn1)c1ccc(CSc2nc(-c3ccccc3)cs2)o1 ZINC000023136433 559018868 /nfs/dbraw/zinc/01/88/68/559018868.db2.gz DHZBUGBDEYJONI-UHFFFAOYSA-N 0 0 407.520 5.020 50 0 HKAARN CC(=O)c1cccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000023136585 559018870 /nfs/dbraw/zinc/01/88/70/559018870.db2.gz LKUJCANXMAMYSX-UHFFFAOYSA-N 0 0 419.428 5.289 50 0 HKAARN CCOc1ccccc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1 ZINC000023136893 559018936 /nfs/dbraw/zinc/01/89/36/559018936.db2.gz QYTQMIDYKCHEEI-UHFFFAOYSA-N 0 0 405.426 5.139 50 0 HKAARN Cc1nc2sccn2c1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000023141475 559020508 /nfs/dbraw/zinc/02/05/08/559020508.db2.gz CHDLKCOVKOXVSU-UHFFFAOYSA-N 0 0 410.355 5.099 50 0 HKAARN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1c(C)nc2sccn21 ZINC000023141505 559020457 /nfs/dbraw/zinc/02/04/57/559020457.db2.gz BDVCMSPSEPQQFL-UHFFFAOYSA-N 0 0 424.382 5.582 50 0 HKAARN O=C(c1cc2ccccc2o1)N(CCn1cccn1)c1nc2c(cccc2Cl)s1 ZINC000023144761 559021133 /nfs/dbraw/zinc/02/11/33/559021133.db2.gz OWFBQUAGOWIGII-UHFFFAOYSA-N 0 0 422.897 5.239 50 0 HKAARN CSc1cccc(C(=O)N(CCn2cccn2)c2nc3c(cc(C)cc3C)s2)c1 ZINC000023144837 559021072 /nfs/dbraw/zinc/02/10/72/559021072.db2.gz KXLZZECZBABINE-UHFFFAOYSA-N 0 0 422.579 5.179 50 0 HKAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3cc4ccccc4o3)nc2c(C)c1 ZINC000023144841 559021118 /nfs/dbraw/zinc/02/11/18/559021118.db2.gz FSTWSFSGQURCKS-UHFFFAOYSA-N 0 0 416.506 5.203 50 0 HKAARN O=C(Nc1cccc(-c2nnco2)c1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000023146752 559021302 /nfs/dbraw/zinc/02/13/02/559021302.db2.gz NSSDLSGLWQIQQK-UHFFFAOYSA-N 0 0 424.485 5.779 50 0 HKAARN CCN1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153839 559021819 /nfs/dbraw/zinc/02/18/19/559021819.db2.gz DRNGBVUQJYUOFQ-UHFFFAOYSA-N 0 0 419.575 5.655 50 0 HKAARN CN1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153840 559021768 /nfs/dbraw/zinc/02/17/68/559021768.db2.gz BFDIDPOQZOQCQP-UHFFFAOYSA-N 0 0 405.548 5.265 50 0 HKAARN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000023153841 559021841 /nfs/dbraw/zinc/02/18/41/559021841.db2.gz BUIMNIQIWQCYMW-UHFFFAOYSA-N 0 0 419.575 5.573 50 0 HKAARN CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 ZINC000023153856 559021780 /nfs/dbraw/zinc/02/17/80/559021780.db2.gz VBKOTDOZGCZROG-UHFFFAOYSA-N 0 0 419.575 5.542 50 0 HKAARN CN1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153869 559021792 /nfs/dbraw/zinc/02/17/92/559021792.db2.gz XNPOFKFBIHPBFP-UHFFFAOYSA-N 0 0 419.575 5.194 50 0 HKAARN CN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000023153870 559021710 /nfs/dbraw/zinc/02/17/10/559021710.db2.gz HWELDEYNCCLPPT-UHFFFAOYSA-N 0 0 411.577 5.327 50 0 HKAARN CCN1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153873 559021701 /nfs/dbraw/zinc/02/17/01/559021701.db2.gz CYDRDSPXASXHPV-UHFFFAOYSA-N 0 0 409.536 5.248 50 0 HKAARN CN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153877 559021738 /nfs/dbraw/zinc/02/17/38/559021738.db2.gz AXJDOTUWIVCAMF-UHFFFAOYSA-N 0 0 411.596 5.532 50 0 HKAARN CCOc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000023174998 559025657 /nfs/dbraw/zinc/02/56/57/559025657.db2.gz ACEQYVXCEXNWOX-FOCLMDBBSA-N 0 0 401.466 5.381 50 0 HKAARN CC(C)c1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000023175045 558540390 /nfs/dbraw/zinc/54/03/90/558540390.db2.gz PRKMSQBLLISWGA-MRXNPFEDSA-N 0 0 420.460 5.419 50 0 HKAARN CC(C)c1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000023175048 558540311 /nfs/dbraw/zinc/54/03/11/558540311.db2.gz PRKMSQBLLISWGA-INIZCTEOSA-N 0 0 420.460 5.419 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)Nc2ccnn2C(C)C)n1 ZINC000023175650 559026307 /nfs/dbraw/zinc/02/63/07/559026307.db2.gz COMOVONQJOBEAS-UHFFFAOYSA-N 0 0 423.567 5.175 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 ZINC000023177971 558540542 /nfs/dbraw/zinc/54/05/42/558540542.db2.gz WMNCJWHNANZDRR-LLVKDONJSA-N 0 0 422.865 5.066 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 ZINC000023177974 558540607 /nfs/dbraw/zinc/54/06/07/558540607.db2.gz WMNCJWHNANZDRR-NSHDSACASA-N 0 0 422.865 5.066 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000023178239 559029597 /nfs/dbraw/zinc/02/95/97/559029597.db2.gz ZEZBXJRPEYKIOJ-GFCCVEGCSA-N 0 0 401.919 5.123 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000023178242 559029570 /nfs/dbraw/zinc/02/95/70/559029570.db2.gz ZEZBXJRPEYKIOJ-LBPRGKRZSA-N 0 0 401.919 5.123 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2)co1 ZINC000023182850 558540790 /nfs/dbraw/zinc/54/07/90/558540790.db2.gz XLNGIFNEKRJJNK-UHFFFAOYSA-N 0 0 417.465 5.015 50 0 HKAARN Cc1cc(-n2c(C)cc(C(=O)N[C@H](c3cccs3)c3ccc(F)cc3)c2C)no1 ZINC000023184494 558540828 /nfs/dbraw/zinc/54/08/28/558540828.db2.gz VVBJOCGALBBRCV-NRFANRHFSA-N 0 0 409.486 5.111 50 0 HKAARN Cc1cc(-n2c(C)cc(C(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)c2C)no1 ZINC000023184496 558540999 /nfs/dbraw/zinc/54/09/99/558540999.db2.gz VVBJOCGALBBRCV-OAQYLSRUSA-N 0 0 409.486 5.111 50 0 HKAARN Cc1c(C(=O)Nc2c(C)cccc2C(C)C)sc2nc(-c3ccco3)nc(C)c12 ZINC000023184919 559030843 /nfs/dbraw/zinc/03/08/43/559030843.db2.gz MAPRNBCYGONLAT-UHFFFAOYSA-N 0 0 405.523 6.252 50 0 HKAARN O=C(Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1)c1ccco1 ZINC000023190944 559032240 /nfs/dbraw/zinc/03/22/40/559032240.db2.gz ZJZYXPADYFUVNB-UHFFFAOYSA-N 0 0 424.887 7.068 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)c1)c1ccco1 ZINC000023200870 558542629 /nfs/dbraw/zinc/54/26/29/558542629.db2.gz JSLPIAGVGWJJNG-SFHVURJKSA-N 0 0 422.506 5.055 50 0 HKAARN O=C(Nc1cccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)c1)c1ccco1 ZINC000023200872 558542625 /nfs/dbraw/zinc/54/26/25/558542625.db2.gz JSLPIAGVGWJJNG-GOSISDBHSA-N 0 0 422.506 5.055 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000023224430 558543501 /nfs/dbraw/zinc/54/35/01/558543501.db2.gz IEVKCOBPSOKNDF-UHFFFAOYSA-N 0 0 424.504 5.118 50 0 HKAARN CCc1ccc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000023230761 559063909 /nfs/dbraw/zinc/06/39/09/559063909.db2.gz DKPLTHUGJWWSFW-UHFFFAOYSA-N 0 0 421.012 6.021 50 0 HKAARN COc1ccc(NC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000023233398 558543982 /nfs/dbraw/zinc/54/39/82/558543982.db2.gz PVDYYYKDMIDOTR-UHFFFAOYSA-N 0 0 415.287 5.382 50 0 HKAARN COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000023235205 558544236 /nfs/dbraw/zinc/54/42/36/558544236.db2.gz AFQTYAKAGIMJBX-KRWDZBQOSA-N 0 0 400.482 5.259 50 0 HKAARN COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000023235207 558544282 /nfs/dbraw/zinc/54/42/82/558544282.db2.gz AFQTYAKAGIMJBX-QGZVFWFLSA-N 0 0 400.482 5.259 50 0 HKAARN CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccccc4)n3)sc2c1 ZINC000023235290 559064082 /nfs/dbraw/zinc/06/40/82/559064082.db2.gz MAROBSKBBOQNLK-UHFFFAOYSA-N 0 0 410.524 5.076 50 0 HKAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCc2ccccc21 ZINC000023235604 559064265 /nfs/dbraw/zinc/06/42/65/559064265.db2.gz DZVWXMHNGRFVFS-UHFFFAOYSA-N 0 0 403.429 5.037 50 0 HKAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCCc2ccccc21 ZINC000023235606 559064281 /nfs/dbraw/zinc/06/42/81/559064281.db2.gz JKLAUOTYHYKRGB-UHFFFAOYSA-N 0 0 417.456 5.427 50 0 HKAARN Cc1ccc2nc(NC(=O)Cc3csc(Nc4cccc(Cl)c4)n3)sc2c1 ZINC000023236732 559064383 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COc1cccc([C@@H](C)NC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)c1 ZINC000023312811 559115619 /nfs/dbraw/zinc/11/56/19/559115619.db2.gz OFHRWLHQKCUDIZ-QGZVFWFLSA-N 0 0 404.510 5.889 50 0 HKAARN CCCCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000023312848 559115559 /nfs/dbraw/zinc/11/55/59/559115559.db2.gz FTHCGWXPDOZXCN-UHFFFAOYSA-N 0 0 410.583 5.469 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000023312930 559115566 /nfs/dbraw/zinc/11/55/66/559115566.db2.gz ZYFWDZDKFYBLBJ-IBGZPJMESA-N 0 0 403.570 6.046 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)C(C)(C)C)cc2)cc1 ZINC000023312933 559115553 /nfs/dbraw/zinc/11/55/53/559115553.db2.gz ZYFWDZDKFYBLBJ-LJQANCHMSA-N 0 0 403.570 6.046 50 0 HKAARN O=C(C1CCCC1)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 ZINC000023312976 559115592 /nfs/dbraw/zinc/11/55/92/559115592.db2.gz JFRINUZOLUWYCV-UHFFFAOYSA-N 0 0 404.529 5.725 50 0 HKAARN Cc1ccc(F)c(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000023313089 559115923 /nfs/dbraw/zinc/11/59/23/559115923.db2.gz CQKWAIFOENLXEA-UHFFFAOYSA-N 0 0 403.501 5.073 50 0 HKAARN Cc1noc(-c2ccco2)c1C(=O)N1CCC[C@@H](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000023313107 559115973 /nfs/dbraw/zinc/11/59/73/559115973.db2.gz GRQKRLKWLYOREA-FQEVSTJZSA-N 0 0 420.553 6.026 50 0 HKAARN Cc1noc(-c2ccco2)c1C(=O)N1CCC[C@H](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000023313110 559115921 /nfs/dbraw/zinc/11/59/21/559115921.db2.gz GRQKRLKWLYOREA-HXUWFJFHSA-N 0 0 420.553 6.026 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H](CC)COC)cc2)cc1 ZINC000023313156 559116041 /nfs/dbraw/zinc/11/60/41/559116041.db2.gz YCDGYUWWFNZWET-QFIPXVFZSA-N 0 0 405.542 5.037 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](CC)COC)cc2)cc1 ZINC000023313160 559115951 /nfs/dbraw/zinc/11/59/51/559115951.db2.gz YCDGYUWWFNZWET-JOCHJYFZSA-N 0 0 405.542 5.037 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCCOCCC)cc2)cc1 ZINC000023313190 559115908 /nfs/dbraw/zinc/11/59/08/559115908.db2.gz WRWBLUNXBLDQLB-UHFFFAOYSA-N 0 0 419.569 5.428 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023313359 559116639 /nfs/dbraw/zinc/11/66/39/559116639.db2.gz NNNRRDHLXGEEOV-UHFFFAOYSA-N 0 0 405.563 5.305 50 0 HKAARN CC(C)(C)c1cc(NC(=O)Cc2ccccc2)n(-c2ccc(Br)cc2)n1 ZINC000023313456 559116793 /nfs/dbraw/zinc/11/67/93/559116793.db2.gz YTEOPZCOBYODKN-UHFFFAOYSA-N 0 0 412.331 5.114 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000023313493 559116792 /nfs/dbraw/zinc/11/67/92/559116792.db2.gz SUVZBIQJGWEHKR-AWEZNQCLSA-N 0 0 402.416 5.420 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000023313496 559116786 /nfs/dbraw/zinc/11/67/86/559116786.db2.gz SUVZBIQJGWEHKR-CQSZACIVSA-N 0 0 402.416 5.420 50 0 HKAARN CCCCCn1cc(C2CCN(C(=O)c3ccccc3OCC)CC2)c2ccccc21 ZINC000023313704 558548886 /nfs/dbraw/zinc/54/88/86/558548886.db2.gz BWOSQCMIJKOSRB-UHFFFAOYSA-N 0 0 418.581 6.250 50 0 HKAARN O=C(c1cc(-c2cccc(C(F)(F)F)c2)on1)N1CCC(Cc2ccccc2)CC1 ZINC000023313826 559115666 /nfs/dbraw/zinc/11/56/66/559115666.db2.gz HNVLJRZZBRCPSZ-UHFFFAOYSA-N 0 0 414.427 5.455 50 0 HKAARN O=C(CCC1CCCC1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023313907 559115654 /nfs/dbraw/zinc/11/56/54/559115654.db2.gz NETQYLZZIVOSGI-UHFFFAOYSA-N 0 0 415.581 5.761 50 0 HKAARN Clc1ccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000023314096 559115880 /nfs/dbraw/zinc/11/58/80/559115880.db2.gz UISGIMYJRJUMGT-UHFFFAOYSA-N 0 0 400.783 6.986 50 0 HKAARN Cc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023314623 559116976 /nfs/dbraw/zinc/11/69/76/559116976.db2.gz CZSXQHMDJIAZND-UHFFFAOYSA-N 0 0 419.590 5.696 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Br)cc1 ZINC000023314914 559117026 /nfs/dbraw/zinc/11/70/26/559117026.db2.gz DRCNUVABAOOZCG-GFCCVEGCSA-N 0 0 404.304 5.808 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Br)cc1 ZINC000023314917 559117023 /nfs/dbraw/zinc/11/70/23/559117023.db2.gz DRCNUVABAOOZCG-LBPRGKRZSA-N 0 0 404.304 5.808 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023314970 559117000 /nfs/dbraw/zinc/11/70/00/559117000.db2.gz SIKJACKFRWJZRL-UHFFFAOYSA-N 0 0 405.563 5.305 50 0 HKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2ccc(CCCC)cc2)cc1 ZINC000023315002 559117019 /nfs/dbraw/zinc/11/70/19/559117019.db2.gz NECMRHIDRVTWBD-OAQYLSRUSA-N 0 0 417.597 6.581 50 0 HKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1ccc(-c2ccc(CCCC)cc2)cc1 ZINC000023315005 559116981 /nfs/dbraw/zinc/11/69/81/559116981.db2.gz NECMRHIDRVTWBD-NRFANRHFSA-N 0 0 417.597 6.581 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc(-c2cccc(-c3ccc(OC)cc3)n2)cc1 ZINC000023315217 559117100 /nfs/dbraw/zinc/11/71/00/559117100.db2.gz PJQRYZDARSJVJA-LJQANCHMSA-N 0 0 402.538 6.579 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc(-c2cccc(-c3ccc(OC)cc3)n2)cc1 ZINC000023315220 559117061 /nfs/dbraw/zinc/11/70/61/559117061.db2.gz PJQRYZDARSJVJA-IBGZPJMESA-N 0 0 402.538 6.579 50 0 HKAARN Cc1cccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000023315297 559117058 /nfs/dbraw/zinc/11/70/58/559117058.db2.gz PMMNABCOVFNDTG-UHFFFAOYSA-N 0 0 419.590 5.696 50 0 HKAARN Clc1cccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000023315337 559117084 /nfs/dbraw/zinc/11/70/84/559117084.db2.gz OZRPQEAYPVDHRB-UHFFFAOYSA-N 0 0 400.783 6.986 50 0 HKAARN O=C(CC1CCCCC1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023315391 559117126 /nfs/dbraw/zinc/11/71/26/559117126.db2.gz GUHKRNAKWPYURQ-UHFFFAOYSA-N 0 0 415.581 5.761 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023315460 559116789 /nfs/dbraw/zinc/11/67/89/559116789.db2.gz VUVMORZXEDVTAN-DEOSSOPVSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023315463 559116783 /nfs/dbraw/zinc/11/67/83/559116783.db2.gz VUVMORZXEDVTAN-XMMPIXPASA-N 0 0 404.941 5.196 50 0 HKAARN COc1ccc(CSCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000023315600 559116762 /nfs/dbraw/zinc/11/67/62/559116762.db2.gz MXHSLNWASPNTDH-UHFFFAOYSA-N 0 0 410.391 6.483 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000023315701 559116804 /nfs/dbraw/zinc/11/68/04/559116804.db2.gz LWFHFXJVUHGGAP-WIYYLYMNSA-N 0 0 401.554 5.792 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000023315704 559116782 /nfs/dbraw/zinc/11/67/82/559116782.db2.gz LWFHFXJVUHGGAP-GHTZIAJQSA-N 0 0 401.554 5.792 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000023315707 559116785 /nfs/dbraw/zinc/11/67/85/559116785.db2.gz LWFHFXJVUHGGAP-NQIIRXRSSA-N 0 0 401.554 5.792 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000023315710 559116801 /nfs/dbraw/zinc/11/68/01/559116801.db2.gz LWFHFXJVUHGGAP-RXVVDRJESA-N 0 0 401.554 5.792 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2onc3c2CCCC3)cc1 ZINC000023315734 559116788 /nfs/dbraw/zinc/11/67/88/559116788.db2.gz WWRBJFLJWDMVHI-UHFFFAOYSA-N 0 0 410.901 5.670 50 0 HKAARN CCCCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000023315748 559116900 /nfs/dbraw/zinc/11/69/00/559116900.db2.gz QCFOPPQSLPPAJE-UHFFFAOYSA-N 0 0 402.416 5.803 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)CCC(C)C)cc2)cc1 ZINC000023315758 559116851 /nfs/dbraw/zinc/11/68/51/559116851.db2.gz MUJDDURVRCGVAG-NRFANRHFSA-N 0 0 417.597 6.436 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)CCC(C)C)cc2)cc1 ZINC000023315761 559116928 /nfs/dbraw/zinc/11/69/28/559116928.db2.gz MUJDDURVRCGVAG-OAQYLSRUSA-N 0 0 417.597 6.436 50 0 HKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(-c2onc3c2CCCC3)cc1 ZINC000023315764 559116869 /nfs/dbraw/zinc/11/68/69/559116869.db2.gz PYXWFWDMRCEVQX-MDWZMJQESA-N 0 0 412.411 5.891 50 0 HKAARN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023315767 559116893 /nfs/dbraw/zinc/11/68/93/559116893.db2.gz OSQAYAFHNPUYMK-UHFFFAOYSA-N 0 0 402.325 5.923 50 0 HKAARN Clc1ccc(CSCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000023315877 559116846 /nfs/dbraw/zinc/11/68/46/559116846.db2.gz RBBIXPQPPIIJQV-UHFFFAOYSA-N 0 0 414.810 7.128 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000023316009 559116866 /nfs/dbraw/zinc/11/68/66/559116866.db2.gz PBVDHISKXAHJFH-UHFFFAOYSA-N 0 0 422.594 5.244 50 0 HKAARN Cc1cccc2c(C3CCN(C(=O)c4c(Cl)cc(Cl)cc4Cl)CC3)c[nH]c21 ZINC000023316059 559116857 /nfs/dbraw/zinc/11/68/57/559116857.db2.gz RRISJXWKGGYLBW-UHFFFAOYSA-N 0 0 421.755 6.456 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023316117 559116860 /nfs/dbraw/zinc/11/68/60/559116860.db2.gz FCCSGNXJGDGJIV-UHFFFAOYSA-N 0 0 419.590 5.696 50 0 HKAARN CC(C)CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023316459 559116989 /nfs/dbraw/zinc/11/69/89/559116989.db2.gz FXOPQIORYPHABJ-LJQANCHMSA-N 0 0 407.579 7.152 50 0 HKAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023316462 559116972 /nfs/dbraw/zinc/11/69/72/559116972.db2.gz FXOPQIORYPHABJ-IBGZPJMESA-N 0 0 407.579 7.152 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C ZINC000023316513 559117052 /nfs/dbraw/zinc/11/70/52/559117052.db2.gz SLDBRAAYUGKQPA-LJQANCHMSA-N 0 0 406.574 5.774 50 0 HKAARN CCCC[C@H](CC)CNC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C ZINC000023316517 559117240 /nfs/dbraw/zinc/11/72/40/559117240.db2.gz SLDBRAAYUGKQPA-IBGZPJMESA-N 0 0 406.574 5.774 50 0 HKAARN O=S(=O)(c1cccc(F)c1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023316523 559117305 /nfs/dbraw/zinc/11/73/05/559117305.db2.gz BMGUBDDIYHDJHW-UHFFFAOYSA-N 0 0 409.526 5.136 50 0 HKAARN CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000023316578 559117297 /nfs/dbraw/zinc/11/72/97/559117297.db2.gz JZYHTBSZTLAIAI-UHFFFAOYSA-N 0 0 404.695 5.304 50 0 HKAARN Cn1cc(C2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c2ccccc21 ZINC000023316599 559117227 /nfs/dbraw/zinc/11/72/27/559117227.db2.gz CUJMRNBTBJTYSX-UHFFFAOYSA-N 0 0 421.755 6.158 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1ccc(-c2cccc(-c3cccc(OC)c3)n2)cc1 ZINC000023316617 559117212 /nfs/dbraw/zinc/11/72/12/559117212.db2.gz JVZGPCYPSXSHJH-LJQANCHMSA-N 0 0 402.538 6.579 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1ccc(-c2cccc(-c3cccc(OC)c3)n2)cc1 ZINC000023316620 559117302 /nfs/dbraw/zinc/11/73/02/559117302.db2.gz JVZGPCYPSXSHJH-IBGZPJMESA-N 0 0 402.538 6.579 50 0 HKAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000023316724 559117234 /nfs/dbraw/zinc/11/72/34/559117234.db2.gz YCHNXEOBRGDXKF-AWEZNQCLSA-N 0 0 418.415 5.300 50 0 HKAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000023316727 559117279 /nfs/dbraw/zinc/11/72/79/559117279.db2.gz YCHNXEOBRGDXKF-CQSZACIVSA-N 0 0 418.415 5.300 50 0 HKAARN Clc1ccc(Cc2nc(CSc3ccccc3Cl)cs2)cc1Cl ZINC000023316734 559117300 /nfs/dbraw/zinc/11/73/00/559117300.db2.gz LDFFZVGMGNXMHH-UHFFFAOYSA-N 0 0 400.783 6.986 50 0 HKAARN Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023316956 559117209 /nfs/dbraw/zinc/11/72/09/559117209.db2.gz VPPKYIANPPGQQV-DEOSSOPVSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023316959 559117274 /nfs/dbraw/zinc/11/72/74/559117274.db2.gz VPPKYIANPPGQQV-XMMPIXPASA-N 0 0 404.941 5.196 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023316971 559117454 /nfs/dbraw/zinc/11/74/54/559117454.db2.gz MIJALSISHVMUSK-UHFFFAOYSA-N 0 0 423.553 5.526 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n2CCCOC(C)C ZINC000023317017 559117400 /nfs/dbraw/zinc/11/74/00/559117400.db2.gz BBCLPTTYUHMDOA-UHFFFAOYSA-N 0 0 412.555 5.320 50 0 HKAARN Cc1noc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000023317020 559117457 /nfs/dbraw/zinc/11/74/57/559117457.db2.gz ROYMXIUMTQYQDN-PMACEKPBSA-N 0 0 410.901 5.171 50 0 HKAARN CC1CCC(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)CC1 ZINC000023317141 559117422 /nfs/dbraw/zinc/11/74/22/559117422.db2.gz SRNCCUADRKQEFI-UHFFFAOYSA-N 0 0 415.581 5.617 50 0 HKAARN CC(C)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 ZINC000023317170 559117389 /nfs/dbraw/zinc/11/73/89/559117389.db2.gz BZRRUOVNOQAOTH-UHFFFAOYSA-N 0 0 412.331 5.677 50 0 HKAARN CC[C@@H](C)CC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023317252 559117414 /nfs/dbraw/zinc/11/74/14/559117414.db2.gz CQPNHHCPXXQFRN-HXUWFJFHSA-N 0 0 401.554 5.817 50 0 HKAARN CC[C@H](C)CC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023317255 559117447 /nfs/dbraw/zinc/11/74/47/559117447.db2.gz CQPNHHCPXXQFRN-FQEVSTJZSA-N 0 0 401.554 5.817 50 0 HKAARN O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccccc1C(F)(F)F ZINC000023317284 559117402 /nfs/dbraw/zinc/11/74/02/559117402.db2.gz QVJMQOGFBJXLQW-SFHVURJKSA-N 0 0 413.395 5.231 50 0 HKAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccccc1C(F)(F)F ZINC000023317288 559117465 /nfs/dbraw/zinc/11/74/65/559117465.db2.gz QVJMQOGFBJXLQW-GOSISDBHSA-N 0 0 413.395 5.231 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC(CCC)CCC)cc2)cc1 ZINC000023317298 559117476 /nfs/dbraw/zinc/11/74/76/559117476.db2.gz BJJHSAJACDYOFK-UHFFFAOYSA-N 0 0 417.597 6.581 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023317330 559117464 /nfs/dbraw/zinc/11/74/64/559117464.db2.gz PFDZCESIUNYNSO-GOSISDBHSA-N 0 0 409.961 6.139 50 0 HKAARN CCCC[C@H](CC)CNC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023317333 559117411 /nfs/dbraw/zinc/11/74/11/559117411.db2.gz PFDZCESIUNYNSO-SFHVURJKSA-N 0 0 409.961 6.139 50 0 HKAARN CCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023317443 559117556 /nfs/dbraw/zinc/11/75/56/559117556.db2.gz NHILFYINHRSJRN-UHFFFAOYSA-N 0 0 401.432 5.635 50 0 HKAARN C[C@@H](CC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)CC(C)(C)C ZINC000023317485 559117590 /nfs/dbraw/zinc/11/75/90/559117590.db2.gz MFWGQAOCSGPXEM-KRWDZBQOSA-N 0 0 402.538 6.508 50 0 HKAARN C[C@H](CC(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)CC(C)(C)C ZINC000023317488 559117594 /nfs/dbraw/zinc/11/75/94/559117594.db2.gz MFWGQAOCSGPXEM-QGZVFWFLSA-N 0 0 402.538 6.508 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023317509 559117539 /nfs/dbraw/zinc/11/75/39/559117539.db2.gz VULDDIIWEOMACQ-UHFFFAOYSA-N 0 0 407.464 5.438 50 0 HKAARN O=S(=O)(c1ccccc1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023317592 559117521 /nfs/dbraw/zinc/11/75/21/559117521.db2.gz NHFCVLYMWHQICI-UHFFFAOYSA-N 0 0 409.526 5.136 50 0 HKAARN CCCCCn1cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000023317631 559117592 /nfs/dbraw/zinc/11/75/92/559117592.db2.gz GZMFOJSHFYTGCQ-UHFFFAOYSA-N 0 0 418.537 5.580 50 0 HKAARN C[C@@H]1CCC[C@@H](C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)C1 ZINC000023317637 559117519 /nfs/dbraw/zinc/11/75/19/559117519.db2.gz CDYWUOOPYDMYTH-IFMALSPDSA-N 0 0 415.581 5.617 50 0 HKAARN C[C@H]1CCC[C@@H](C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)C1 ZINC000023317640 559117523 /nfs/dbraw/zinc/11/75/23/559117523.db2.gz CDYWUOOPYDMYTH-RBBKRZOGSA-N 0 0 415.581 5.617 50 0 HKAARN C[C@@H]1CCC[C@H](C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)C1 ZINC000023317643 559117517 /nfs/dbraw/zinc/11/75/17/559117517.db2.gz CDYWUOOPYDMYTH-IRLDBZIGSA-N 0 0 415.581 5.617 50 0 HKAARN C[C@H]1CCC[C@H](C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)C1 ZINC000023317646 559117537 /nfs/dbraw/zinc/11/75/37/559117537.db2.gz CDYWUOOPYDMYTH-UNMCSNQZSA-N 0 0 415.581 5.617 50 0 HKAARN CC(C)OCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023317667 559117565 /nfs/dbraw/zinc/11/75/65/559117565.db2.gz OLVDGGSVVNTRHV-UHFFFAOYSA-N 0 0 418.324 5.205 50 0 HKAARN Cc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023317699 559117511 /nfs/dbraw/zinc/11/75/11/559117511.db2.gz ILXYDKRUWFGFGZ-DEOSSOPVSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023317702 559117581 /nfs/dbraw/zinc/11/75/81/559117581.db2.gz ILXYDKRUWFGFGZ-XMMPIXPASA-N 0 0 404.941 5.196 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)c1 ZINC000023317770 559117524 /nfs/dbraw/zinc/11/75/24/559117524.db2.gz SMVLFSQXLFNUEH-YOSAUDMPSA-N 0 0 401.554 5.711 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)c1 ZINC000023317773 559117569 /nfs/dbraw/zinc/11/75/69/559117569.db2.gz SMVLFSQXLFNUEH-DCLXLUIPSA-N 0 0 401.554 5.711 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)CCC4CCCC4)c3)n2)cc1 ZINC000023317814 559117656 /nfs/dbraw/zinc/11/76/56/559117656.db2.gz WWWSIGYHLHJCHZ-UHFFFAOYSA-N 0 0 400.522 6.333 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023317916 559117675 /nfs/dbraw/zinc/11/76/75/559117675.db2.gz NIRYCPATOLPBJW-DEOSSOPVSA-N 0 0 404.941 5.196 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023317919 559117657 /nfs/dbraw/zinc/11/76/57/559117657.db2.gz NIRYCPATOLPBJW-XMMPIXPASA-N 0 0 404.941 5.196 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023317935 559117690 /nfs/dbraw/zinc/11/76/90/559117690.db2.gz MHAJASSLEOESJM-UHFFFAOYSA-N 0 0 403.547 6.828 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023317956 559117669 /nfs/dbraw/zinc/11/76/69/559117669.db2.gz IQHRMRMNVRGBCN-QHCPKHFHSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023317959 559117677 /nfs/dbraw/zinc/11/76/77/559117677.db2.gz IQHRMRMNVRGBCN-HSZRJFAPSA-N 0 0 408.904 5.027 50 0 HKAARN CCOc1ccc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1 ZINC000023317990 559117681 /nfs/dbraw/zinc/11/76/81/559117681.db2.gz UHIIICCLZHGIRO-UHFFFAOYSA-N 0 0 405.563 5.909 50 0 HKAARN CC[C@@H](C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318084 559117686 /nfs/dbraw/zinc/11/76/86/559117686.db2.gz YSZXXYZVUMZAMK-SXOMAYOGSA-N 0 0 412.577 5.422 50 0 HKAARN CC[C@H](C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318087 559117702 /nfs/dbraw/zinc/11/77/02/559117702.db2.gz YSZXXYZVUMZAMK-SVBPBHIXSA-N 0 0 412.577 5.422 50 0 HKAARN CC[C@@H](C(=O)N1CCN([C@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318090 559117671 /nfs/dbraw/zinc/11/76/71/559117671.db2.gz YSZXXYZVUMZAMK-KAYWLYCHSA-N 0 0 412.577 5.422 50 0 HKAARN CC[C@H](C(=O)N1CCN([C@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318093 559117684 /nfs/dbraw/zinc/11/76/84/559117684.db2.gz YSZXXYZVUMZAMK-RRPNLBNLSA-N 0 0 412.577 5.422 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCCC3)cc1)c1cccc(OC(F)(F)F)c1 ZINC000023318177 559117692 /nfs/dbraw/zinc/11/76/92/559117692.db2.gz JEWNNHRTHOTYHK-UHFFFAOYSA-N 0 0 402.372 5.371 50 0 HKAARN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023318209 559117688 /nfs/dbraw/zinc/11/76/88/559117688.db2.gz MQCAHLJEDPXSEO-OFNKIYASSA-N 0 0 415.581 5.617 50 0 HKAARN C[C@H]1CCCC[C@@H]1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023318212 559117711 /nfs/dbraw/zinc/11/77/11/559117711.db2.gz MQCAHLJEDPXSEO-REWPJTCUSA-N 0 0 415.581 5.617 50 0 HKAARN C[C@@H]1CCCC[C@H]1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023318215 559117691 /nfs/dbraw/zinc/11/76/91/559117691.db2.gz MQCAHLJEDPXSEO-NFBKMPQASA-N 0 0 415.581 5.617 50 0 HKAARN C[C@H]1CCCC[C@H]1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023318217 559117679 /nfs/dbraw/zinc/11/76/79/559117679.db2.gz MQCAHLJEDPXSEO-NZQKXSOJSA-N 0 0 415.581 5.617 50 0 HKAARN CCCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000023318223 559117668 /nfs/dbraw/zinc/11/76/68/559117668.db2.gz YPLONIJOQRVNAT-UHFFFAOYSA-N 0 0 416.565 6.832 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCCc1cccc(Cl)c1 ZINC000023318301 559126183 /nfs/dbraw/zinc/12/61/83/559126183.db2.gz URAURUUVCYGYKJ-UHFFFAOYSA-N 0 0 408.807 5.295 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000023318331 559126134 /nfs/dbraw/zinc/12/61/34/559126134.db2.gz FRSFTJVGONXXOA-UHFFFAOYSA-N 0 0 415.581 6.182 50 0 HKAARN O=C(c1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318510 559125587 /nfs/dbraw/zinc/12/55/87/559125587.db2.gz BPPCJMPGFQQJNS-QHCPKHFHSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023318513 559125637 /nfs/dbraw/zinc/12/56/37/559125637.db2.gz BPPCJMPGFQQJNS-HSZRJFAPSA-N 0 0 408.904 5.027 50 0 HKAARN CCSCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023318523 559125639 /nfs/dbraw/zinc/12/56/39/559125639.db2.gz MVCDWRTXCJWJKS-UHFFFAOYSA-N 0 0 420.365 5.533 50 0 HKAARN O=S(=O)(c1ccccc1F)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000023318672 559125592 /nfs/dbraw/zinc/12/55/92/559125592.db2.gz IDUYZVNUIIVEPQ-UHFFFAOYSA-N 0 0 423.553 5.526 50 0 HKAARN CCC(CC)C(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023318675 559125644 /nfs/dbraw/zinc/12/56/44/559125644.db2.gz MIDBHJLPOPYXEM-UHFFFAOYSA-N 0 0 401.554 5.817 50 0 HKAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)c2c1 ZINC000023318735 559125620 /nfs/dbraw/zinc/12/56/20/559125620.db2.gz JMYYYPZHIHVDSU-UHFFFAOYSA-N 0 0 402.947 5.006 50 0 HKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(C)cc1 ZINC000023318738 559125705 /nfs/dbraw/zinc/12/57/05/559125705.db2.gz BDHFHSPRMTVHRL-UHFFFAOYSA-N 0 0 412.555 5.240 50 0 HKAARN Cc1ccc2c(c1)c(C1CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC1)cn2C ZINC000023318771 559125715 /nfs/dbraw/zinc/12/57/15/559125715.db2.gz WBITWDYBBYHCEU-UHFFFAOYSA-N 0 0 418.434 5.664 50 0 HKAARN O=C(NCC1CCCCCC1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023318904 559125700 /nfs/dbraw/zinc/12/57/00/559125700.db2.gz YHXXNTIMOKPUHM-UHFFFAOYSA-N 0 0 405.563 6.908 50 0 HKAARN COc1ccc(OCc2nc(CSc3cc(OC)ccc3OC)cs2)cc1 ZINC000023319171 559125678 /nfs/dbraw/zinc/12/56/78/559125678.db2.gz KPFPTYHMEWAQPN-UHFFFAOYSA-N 0 0 403.525 5.040 50 0 HKAARN O=C(c1sc(Cl)c(Cl)c1Cl)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000023319182 559125681 /nfs/dbraw/zinc/12/56/81/559125681.db2.gz MPKLTAWHONDQSZ-UHFFFAOYSA-N 0 0 413.757 6.209 50 0 HKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc(C)c1 ZINC000023319251 559125688 /nfs/dbraw/zinc/12/56/88/559125688.db2.gz FQAMTEIJZYBLSO-UHFFFAOYSA-N 0 0 412.555 5.240 50 0 HKAARN Cc1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023319335 559125670 /nfs/dbraw/zinc/12/56/70/559125670.db2.gz TZMNJKKHTYRWKZ-DEOSSOPVSA-N 0 0 419.956 5.588 50 0 HKAARN Cc1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023319338 559125703 /nfs/dbraw/zinc/12/57/03/559125703.db2.gz TZMNJKKHTYRWKZ-XMMPIXPASA-N 0 0 419.956 5.588 50 0 HKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000023319495 559125694 /nfs/dbraw/zinc/12/56/94/559125694.db2.gz RRNZZBVHMMGUPK-UHFFFAOYSA-N 0 0 416.565 6.042 50 0 HKAARN CCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023319722 559125717 /nfs/dbraw/zinc/12/57/17/559125717.db2.gz ZKAJCCAUGFSCNY-UHFFFAOYSA-N 0 0 419.590 5.559 50 0 HKAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cccc(Cl)c1 ZINC000023319739 559125682 /nfs/dbraw/zinc/12/56/82/559125682.db2.gz QLMGAXZYPOSVNZ-UHFFFAOYSA-N 0 0 410.779 5.132 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000023319840 559125653 /nfs/dbraw/zinc/12/56/53/559125653.db2.gz SPDLRRFINAAWDG-VWLOTQADSA-N 0 0 417.528 5.382 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000023319843 559125664 /nfs/dbraw/zinc/12/56/64/559125664.db2.gz SPDLRRFINAAWDG-RUZDIDTESA-N 0 0 417.528 5.382 50 0 HKAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)c2c1 ZINC000023319846 559125691 /nfs/dbraw/zinc/12/56/91/559125691.db2.gz GBWSQZKGTCEYFJ-UHFFFAOYSA-N 0 0 410.583 5.342 50 0 HKAARN Fc1ccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c(F)c1 ZINC000023319855 559125834 /nfs/dbraw/zinc/12/58/34/559125834.db2.gz UHCYEYAKATVZFC-UHFFFAOYSA-N 0 0 402.318 6.611 50 0 HKAARN COCc1noc(NC(=O)CSCc2ccc(Cl)cc2)c1-c1ccccc1F ZINC000023319919 559125771 /nfs/dbraw/zinc/12/57/71/559125771.db2.gz IXKSWPZLLMGAQG-UHFFFAOYSA-N 0 0 420.893 5.152 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000023319994 559125787 /nfs/dbraw/zinc/12/57/87/559125787.db2.gz FNVCFIPPOJSSHQ-UHFFFAOYSA-N 0 0 420.271 5.202 50 0 HKAARN Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(Br)cc2)c1 ZINC000023320073 559125846 /nfs/dbraw/zinc/12/58/46/559125846.db2.gz QZPNWSGQUJUJQK-UHFFFAOYSA-N 0 0 412.331 5.493 50 0 HKAARN Cc1ccccc1NC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320084 559125817 /nfs/dbraw/zinc/12/58/17/559125817.db2.gz DOHPSFYTJCMAIO-DEOSSOPVSA-N 0 0 419.956 5.588 50 0 HKAARN Cc1ccccc1NC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320087 559125774 /nfs/dbraw/zinc/12/57/74/559125774.db2.gz DOHPSFYTJCMAIO-XMMPIXPASA-N 0 0 419.956 5.588 50 0 HKAARN Cc1cc(C)c(CSCc2csc(Cc3ccc(F)cc3Cl)n2)c(C)c1 ZINC000023320100 559125781 /nfs/dbraw/zinc/12/57/81/559125781.db2.gz HUXFOBWIVUQROH-UHFFFAOYSA-N 0 0 405.991 6.885 50 0 HKAARN O=C(c1ccccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320109 559125821 /nfs/dbraw/zinc/12/58/21/559125821.db2.gz BCYKKNPJDIRMLV-QHCPKHFHSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1ccccc1F)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320112 559125824 /nfs/dbraw/zinc/12/58/24/559125824.db2.gz BCYKKNPJDIRMLV-HSZRJFAPSA-N 0 0 408.904 5.027 50 0 HKAARN COc1cc(CNC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)cc(OC)c1 ZINC000023320184 559125768 /nfs/dbraw/zinc/12/57/68/559125768.db2.gz WUDKIGLACOGIQW-UHFFFAOYSA-N 0 0 420.509 5.337 50 0 HKAARN CCSCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023320244 559125799 /nfs/dbraw/zinc/12/57/99/559125799.db2.gz SUVNOSNDRSHBKI-UHFFFAOYSA-N 0 0 419.472 5.245 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)c[nH]c21 ZINC000023320324 559125905 /nfs/dbraw/zinc/12/59/05/559125905.db2.gz SSULABXGEFUOKB-UHFFFAOYSA-N 0 0 410.583 5.342 50 0 HKAARN O=C(c1ccccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320345 559125896 /nfs/dbraw/zinc/12/58/96/559125896.db2.gz CTMPVSBLPUXOKN-QHCPKHFHSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1ccccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320348 559125936 /nfs/dbraw/zinc/12/59/36/559125936.db2.gz CTMPVSBLPUXOKN-HSZRJFAPSA-N 0 0 408.904 5.027 50 0 HKAARN CC[C@@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023320512 559125892 /nfs/dbraw/zinc/12/58/92/559125892.db2.gz YLKSRVBADZJESI-INIZCTEOSA-N 0 0 418.324 5.205 50 0 HKAARN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023320515 559125870 /nfs/dbraw/zinc/12/58/70/559125870.db2.gz YLKSRVBADZJESI-MRXNPFEDSA-N 0 0 418.324 5.205 50 0 HKAARN CN(c1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc2n1)C1CCCCC1 ZINC000023320603 559125865 /nfs/dbraw/zinc/12/58/65/559125865.db2.gz DQZCRYVKSGEDJB-UHFFFAOYSA-N 0 0 407.945 5.587 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC000023320684 559125903 /nfs/dbraw/zinc/12/59/03/559125903.db2.gz MWGGNKREDNXMNC-UHFFFAOYSA-N 0 0 403.404 5.321 50 0 HKAARN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023320761 559126131 /nfs/dbraw/zinc/12/61/31/559126131.db2.gz BWTQATVKQQKHHN-UHFFFAOYSA-N 0 0 416.352 6.313 50 0 HKAARN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023320936 559126100 /nfs/dbraw/zinc/12/61/00/559126100.db2.gz XIKBKLHRMGCDHF-UHFFFAOYSA-N 0 0 416.569 5.606 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N(CCC(C)C)CCC(C)C)cc1 ZINC000023320950 559126117 /nfs/dbraw/zinc/12/61/17/559126117.db2.gz PBQLODGXUSNXCY-UHFFFAOYSA-N 0 0 417.597 6.382 50 0 HKAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1ccccc1Cl ZINC000023321030 559126170 /nfs/dbraw/zinc/12/61/70/559126170.db2.gz USSMLNKILXSASW-UHFFFAOYSA-N 0 0 410.779 5.132 50 0 HKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccc(F)cc1 ZINC000023321035 559126136 /nfs/dbraw/zinc/12/61/36/559126136.db2.gz FCJNLSJYEWYNNF-UHFFFAOYSA-N 0 0 416.518 5.071 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000023321038 559126180 /nfs/dbraw/zinc/12/61/80/559126180.db2.gz ONTCDRIBCUXNAR-VWLOTQADSA-N 0 0 417.528 5.382 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000023321041 559126150 /nfs/dbraw/zinc/12/61/50/559126150.db2.gz ONTCDRIBCUXNAR-RUZDIDTESA-N 0 0 417.528 5.382 50 0 HKAARN CC(C)(C)c1ccc(SCc2csc(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000023321149 559126138 /nfs/dbraw/zinc/12/61/38/559126138.db2.gz JWHIVGKWXWCFOP-UHFFFAOYSA-N 0 0 405.991 7.116 50 0 HKAARN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023321311 559126220 /nfs/dbraw/zinc/12/62/20/559126220.db2.gz BEPXSMWQZMWLQY-UHFFFAOYSA-N 0 0 416.352 6.313 50 0 HKAARN CCCCCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(C)cc43)CC2)cc1 ZINC000023321373 559126227 /nfs/dbraw/zinc/12/62/27/559126227.db2.gz PAJMJKGPWFHPED-UHFFFAOYSA-N 0 0 424.610 5.777 50 0 HKAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023321384 559126230 /nfs/dbraw/zinc/12/62/30/559126230.db2.gz PIGFPCPXCHAKKJ-UHFFFAOYSA-N 0 0 421.562 5.006 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023321424 559126249 /nfs/dbraw/zinc/12/62/49/559126249.db2.gz JDHUKWHXYBLJBZ-FQEVSTJZSA-N 0 0 417.618 7.214 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023321427 559126224 /nfs/dbraw/zinc/12/62/24/559126224.db2.gz JDHUKWHXYBLJBZ-HXUWFJFHSA-N 0 0 417.618 7.214 50 0 HKAARN COc1ccc(-c2cc(NC(=O)CCC3CCCC3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023321560 559126400 /nfs/dbraw/zinc/12/64/00/559126400.db2.gz BHSYXQUAMACUPE-UHFFFAOYSA-N 0 0 403.526 5.765 50 0 HKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1cccc(F)c1 ZINC000023321711 559128313 /nfs/dbraw/zinc/12/83/13/559128313.db2.gz QPAJGBZHIYPVSS-UHFFFAOYSA-N 0 0 416.518 5.071 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N3CCCCCCC3)cc2)cc1 ZINC000023321735 559129039 /nfs/dbraw/zinc/12/90/39/559129039.db2.gz KJUSGNPHCDXEFS-UHFFFAOYSA-N 0 0 415.581 6.288 50 0 HKAARN Cc1ccc(-c2onc3c2CCCC3)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000023321810 559129347 /nfs/dbraw/zinc/12/93/47/559129347.db2.gz VOEGVZLKFPMFKX-UHFFFAOYSA-N 0 0 418.537 5.844 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000023321829 559129307 /nfs/dbraw/zinc/12/93/07/559129307.db2.gz DHKQWHHFLPEZAF-UHFFFAOYSA-N 0 0 415.581 6.287 50 0 HKAARN Cc1ccc(C(=O)N2CCC(c3nc(-c4c(Cl)cccc4Cl)no3)CC2)cc1 ZINC000023321848 559131444 /nfs/dbraw/zinc/13/14/44/559131444.db2.gz INVGECBKENDCHG-UHFFFAOYSA-N 0 0 416.308 5.372 50 0 HKAARN CCCCOCCCNC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023321949 559131670 /nfs/dbraw/zinc/13/16/70/559131670.db2.gz MPRNBOKZHWNUCG-UHFFFAOYSA-N 0 0 417.553 5.169 50 0 HKAARN Cc1ccc2oc(CN(C(=O)c3ccc(Cl)c(Cl)c3)C3CCCCC3)nc2c1 ZINC000023322002 559132599 /nfs/dbraw/zinc/13/25/99/559132599.db2.gz VSJZYZJKFURRCV-UHFFFAOYSA-N 0 0 417.336 6.418 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCC2CCCC2)cc1 ZINC000023322007 559132613 /nfs/dbraw/zinc/13/26/13/559132613.db2.gz NLJLSIMOAPBQIE-UHFFFAOYSA-N 0 0 407.945 6.410 50 0 HKAARN O=C(N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1)c1ccc(F)c(F)c1F ZINC000023322106 559133963 /nfs/dbraw/zinc/13/39/63/559133963.db2.gz MUKYRNSXUPKXBZ-SECBINFHSA-N 0 0 413.226 5.179 50 0 HKAARN O=C(N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1)c1ccc(F)c(F)c1F ZINC000023322109 559133999 /nfs/dbraw/zinc/13/39/99/559133999.db2.gz MUKYRNSXUPKXBZ-VIFPVBQESA-N 0 0 413.226 5.179 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)[C@@H]1C ZINC000023322246 559133708 /nfs/dbraw/zinc/13/37/08/559133708.db2.gz SXXAKXAHCOVSFO-XCGNWRKASA-N 0 0 409.480 5.372 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)[C@@H]1C ZINC000023322252 559133795 /nfs/dbraw/zinc/13/37/95/559133795.db2.gz SXXAKXAHCOVSFO-MCFFVMPBSA-N 0 0 409.480 5.372 50 0 HKAARN Cc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1F ZINC000023322309 559134099 /nfs/dbraw/zinc/13/40/99/559134099.db2.gz SKZGHTNPKNAKOH-DEOSSOPVSA-N 0 0 421.491 5.212 50 0 HKAARN Cc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1F ZINC000023322312 559134232 /nfs/dbraw/zinc/13/42/32/559134232.db2.gz SKZGHTNPKNAKOH-XMMPIXPASA-N 0 0 421.491 5.212 50 0 HKAARN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023322328 559134484 /nfs/dbraw/zinc/13/44/84/559134484.db2.gz NSHKKNXVIXOANZ-UHFFFAOYSA-N 0 0 415.459 6.025 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(F)c2)n(-c2ccc(Br)cc2)n1 ZINC000023322496 559137717 /nfs/dbraw/zinc/13/77/17/559137717.db2.gz RSQPWNGAIXOOIN-UHFFFAOYSA-N 0 0 416.294 5.324 50 0 HKAARN CC(C)c1ccccc1SCc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000023322534 559137971 /nfs/dbraw/zinc/13/79/71/559137971.db2.gz JTYZWZDEIDLKLF-UHFFFAOYSA-N 0 0 408.419 7.456 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(Br)cc1 ZINC000023322594 559140807 /nfs/dbraw/zinc/14/08/07/559140807.db2.gz DPFVZYZMVBTZHD-GFCCVEGCSA-N 0 0 420.759 6.322 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(Br)cc1 ZINC000023322597 559140809 /nfs/dbraw/zinc/14/08/09/559140809.db2.gz DPFVZYZMVBTZHD-LBPRGKRZSA-N 0 0 420.759 6.322 50 0 HKAARN CC1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023322606 559140838 /nfs/dbraw/zinc/14/08/38/559140838.db2.gz YUWHQJPLMWFQDI-UHFFFAOYSA-N 0 0 414.336 5.923 50 0 HKAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccccc1F ZINC000023322691 559141164 /nfs/dbraw/zinc/14/11/64/559141164.db2.gz HILKPKCHRIUUEW-UHFFFAOYSA-N 0 0 416.518 5.071 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000023322816 559141472 /nfs/dbraw/zinc/14/14/72/559141472.db2.gz FMLNKFGLPUFLRO-DEOSSOPVSA-N 0 0 421.491 5.212 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000023322819 559141451 /nfs/dbraw/zinc/14/14/51/559141451.db2.gz FMLNKFGLPUFLRO-XMMPIXPASA-N 0 0 421.491 5.212 50 0 HKAARN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023322883 559141595 /nfs/dbraw/zinc/14/15/95/559141595.db2.gz BYIKSSPKGVERMF-UHFFFAOYSA-N 0 0 415.459 6.025 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000023322886 559142155 /nfs/dbraw/zinc/14/21/55/559142155.db2.gz UTTBCBRVURQAFU-UHFFFAOYSA-N 0 0 419.590 5.614 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000023322898 559142351 /nfs/dbraw/zinc/14/23/51/559142351.db2.gz KCZXDSJLDOCZNB-UHFFFAOYSA-N 0 0 412.288 5.973 50 0 HKAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)C1 ZINC000023323123 559143820 /nfs/dbraw/zinc/14/38/20/559143820.db2.gz BLIFBSUOYGKQEI-CQSZACIVSA-N 0 0 414.336 5.923 50 0 HKAARN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)C1 ZINC000023323126 559143901 /nfs/dbraw/zinc/14/39/01/559143901.db2.gz BLIFBSUOYGKQEI-AWEZNQCLSA-N 0 0 414.336 5.923 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cc2)c1 ZINC000023323167 559144025 /nfs/dbraw/zinc/14/40/25/559144025.db2.gz FVAWKGUAGPFKLS-NFBKMPQASA-N 0 0 415.581 6.101 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cc2)c1 ZINC000023323170 559144003 /nfs/dbraw/zinc/14/40/03/559144003.db2.gz FVAWKGUAGPFKLS-NZQKXSOJSA-N 0 0 415.581 6.101 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cc2)c1 ZINC000023323173 559143597 /nfs/dbraw/zinc/14/35/97/559143597.db2.gz FVAWKGUAGPFKLS-OFNKIYASSA-N 0 0 415.581 6.101 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cc2)c1 ZINC000023323176 559144134 /nfs/dbraw/zinc/14/41/34/559144134.db2.gz FVAWKGUAGPFKLS-REWPJTCUSA-N 0 0 415.581 6.101 50 0 HKAARN Cc1ccc2oc(CN(C(=O)c3ccc(Cl)cc3Cl)C3CCCCC3)nc2c1 ZINC000023323298 559144514 /nfs/dbraw/zinc/14/45/14/559144514.db2.gz SPAQAGMKYBIMQG-UHFFFAOYSA-N 0 0 417.336 6.418 50 0 HKAARN O=C(C1CCCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023323331 559144023 /nfs/dbraw/zinc/14/40/23/559144023.db2.gz GCRTVXBBZJUIFC-UHFFFAOYSA-N 0 0 405.517 5.586 50 0 HKAARN Cc1ccc(F)c(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023323384 559146538 /nfs/dbraw/zinc/14/65/38/559146538.db2.gz CZUUREGGUYXMEP-DEOSSOPVSA-N 0 0 421.491 5.212 50 0 HKAARN Cc1ccc(F)c(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023323386 559146532 /nfs/dbraw/zinc/14/65/32/559146532.db2.gz CZUUREGGUYXMEP-XMMPIXPASA-N 0 0 421.491 5.212 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)[C@@H]1C ZINC000023323440 559146934 /nfs/dbraw/zinc/14/69/34/559146934.db2.gz JRSBQSZUZWXFKV-DRSNIGMVSA-N 0 0 407.945 5.747 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)[C@@H]1C ZINC000023323446 559146939 /nfs/dbraw/zinc/14/69/39/559146939.db2.gz JRSBQSZUZWXFKV-YVHKJVDXSA-N 0 0 407.945 5.747 50 0 HKAARN CCCn1cc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000023323490 559146731 /nfs/dbraw/zinc/14/67/31/559146731.db2.gz PNTRFPJGGUMZTN-UHFFFAOYSA-N 0 0 416.974 5.273 50 0 HKAARN CC(C)CN(CC(C)C)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023323697 559147433 /nfs/dbraw/zinc/14/74/33/559147433.db2.gz CRPLDDKGNUZIBA-UHFFFAOYSA-N 0 0 407.579 6.962 50 0 HKAARN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000023323775 559147755 /nfs/dbraw/zinc/14/77/55/559147755.db2.gz XZXVEVRNBNWEFI-UHFFFAOYSA-N 0 0 419.422 5.288 50 0 HKAARN CCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023323794 559147659 /nfs/dbraw/zinc/14/76/59/559147659.db2.gz MQLCSMNQORJESR-UHFFFAOYSA-N 0 0 402.325 6.365 50 0 HKAARN Cc1ccccc1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023323882 558549004 /nfs/dbraw/zinc/54/90/04/558549004.db2.gz MHJVGXVBNVHZBN-UHFFFAOYSA-N 0 0 421.491 5.212 50 0 HKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000023323906 558549079 /nfs/dbraw/zinc/54/90/79/558549079.db2.gz CRFFHHWFHXLEFI-UHFFFAOYSA-N 0 0 416.443 5.896 50 0 HKAARN CC(C)CCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023323976 559147896 /nfs/dbraw/zinc/14/78/96/559147896.db2.gz YKCBOHUUYHFFDU-UHFFFAOYSA-N 0 0 402.494 5.562 50 0 HKAARN CC1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)CC1 ZINC000023324356 559149668 /nfs/dbraw/zinc/14/96/68/559149668.db2.gz MGURWIWMPMKQAP-UHFFFAOYSA-N 0 0 413.443 5.635 50 0 HKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000023324377 559149657 /nfs/dbraw/zinc/14/96/57/559149657.db2.gz CEYPENRECZQTFV-UHFFFAOYSA-N 0 0 401.869 5.223 50 0 HKAARN O=C(C1=CCCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023324431 559149466 /nfs/dbraw/zinc/14/94/66/559149466.db2.gz LJARGWCWIJWTNM-UHFFFAOYSA-N 0 0 403.501 5.506 50 0 HKAARN CCCCCC[N@H+](C)Cc1csc(-c2cccc(-c3ccc(OCC)cc3)c2)n1 ZINC000023324485 559149758 /nfs/dbraw/zinc/14/97/58/559149758.db2.gz PKHSVLBSDDBYLG-UHFFFAOYSA-N 0 0 408.611 6.888 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCCC3)cc1)c1cc(F)c(Cl)nc1Cl ZINC000023324515 559149765 /nfs/dbraw/zinc/14/97/65/559149765.db2.gz RISZTXYZRINGFD-UHFFFAOYSA-N 0 0 406.244 5.314 50 0 HKAARN CC(C)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023324526 559149782 /nfs/dbraw/zinc/14/97/82/559149782.db2.gz ORKBPOHTBROKMJ-UHFFFAOYSA-N 0 0 402.325 6.221 50 0 HKAARN COc1ccc(-c2onc3c2CCC3)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000023324844 559150031 /nfs/dbraw/zinc/15/00/31/559150031.db2.gz UGJIBKKURBOSBL-UHFFFAOYSA-N 0 0 420.509 5.154 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)n2)cc1 ZINC000023324871 559150178 /nfs/dbraw/zinc/15/01/78/559150178.db2.gz SMFARTGLJNKOKS-UHFFFAOYSA-N 0 0 421.711 5.733 50 0 HKAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)C1 ZINC000023324927 559150455 /nfs/dbraw/zinc/15/04/55/559150455.db2.gz ZILKAIGGIFRVTH-OAHLLOKOSA-N 0 0 413.443 5.635 50 0 HKAARN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)C1 ZINC000023324929 559150466 /nfs/dbraw/zinc/15/04/66/559150466.db2.gz ZILKAIGGIFRVTH-HNNXBMFYSA-N 0 0 413.443 5.635 50 0 HKAARN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000023324938 559150468 /nfs/dbraw/zinc/15/04/68/559150468.db2.gz ZPZKEMVFPFCNKE-LBPRGKRZSA-N 0 0 404.388 5.168 50 0 HKAARN O=C(CCC1CCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023325338 559150956 /nfs/dbraw/zinc/15/09/56/559150956.db2.gz GUUZDEYXZAUYMZ-UHFFFAOYSA-N 0 0 419.544 5.976 50 0 HKAARN O=C(CCC1CCCC1)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000023325397 559151367 /nfs/dbraw/zinc/15/13/67/559151367.db2.gz XBCDIVHELJGGAM-UHFFFAOYSA-N 0 0 417.431 6.060 50 0 HKAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023325529 559151686 /nfs/dbraw/zinc/15/16/86/559151686.db2.gz RZLIOCFTLWXVFF-UHFFFAOYSA-N 0 0 423.553 5.445 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2cccc(F)c2)n1 ZINC000023325802 559152750 /nfs/dbraw/zinc/15/27/50/559152750.db2.gz WRCQNAPOMNZZKG-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN O=C(c1ccc(-c2ccc3c(c2)OCO3)s1)N1CCC(Cc2ccccc2)CC1 ZINC000023325940 559153736 /nfs/dbraw/zinc/15/37/36/559153736.db2.gz QDWPTBGBYHIYMO-UHFFFAOYSA-N 0 0 405.519 5.239 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(C)cc(C)cc1C)n2CCOC ZINC000023325944 559153767 /nfs/dbraw/zinc/15/37/67/559153767.db2.gz AHIBYUYXWALDHF-UHFFFAOYSA-N 0 0 412.555 5.077 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023326144 559154202 /nfs/dbraw/zinc/15/42/02/559154202.db2.gz GOHXQLVBCPKAKB-UHFFFAOYSA-N 0 0 423.727 6.373 50 0 HKAARN CCN(C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)C1CCCCC1 ZINC000023326161 559154176 /nfs/dbraw/zinc/15/41/76/559154176.db2.gz RFRURZHSEONTTL-UHFFFAOYSA-N 0 0 405.563 7.002 50 0 HKAARN CCc1nc2ccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2nc1CC ZINC000023326179 558549348 /nfs/dbraw/zinc/54/93/48/558549348.db2.gz NTLGXMAYVZWUBT-AWEZNQCLSA-N 0 0 404.539 5.198 50 0 HKAARN CCc1nc2ccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc2nc1CC ZINC000023326183 558549338 /nfs/dbraw/zinc/54/93/38/558549338.db2.gz NTLGXMAYVZWUBT-CQSZACIVSA-N 0 0 404.539 5.198 50 0 HKAARN C=Cc1ccc(CSc2nc3cc(C(=O)OCC)ccc3n2CCCOCC)cc1 ZINC000023326198 559153943 /nfs/dbraw/zinc/15/39/43/559153943.db2.gz QUYWKXNFRNCJSO-UHFFFAOYSA-N 0 0 424.566 5.575 50 0 HKAARN CCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(C)cc43)CC2)cc1 ZINC000023326303 559153980 /nfs/dbraw/zinc/15/39/80/559153980.db2.gz RLUJNDCNOLCUMB-UHFFFAOYSA-N 0 0 424.610 5.732 50 0 HKAARN CCCC(=O)Nc1c2ccn(Cc3ccc(C)cc3)c2ccc1OC(=O)N(CC)CC ZINC000023326314 559154019 /nfs/dbraw/zinc/15/40/19/559154019.db2.gz WLWWTLHARKGYPL-UHFFFAOYSA-N 0 0 421.541 5.577 50 0 HKAARN CCCCN(CC)C(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023326341 559154076 /nfs/dbraw/zinc/15/40/76/559154076.db2.gz QCIQAERYTADXIX-UHFFFAOYSA-N 0 0 403.526 5.113 50 0 HKAARN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023326362 559154360 /nfs/dbraw/zinc/15/43/60/559154360.db2.gz QSZKTHYZBPBPKS-UHFFFAOYSA-N 0 0 424.009 7.089 50 0 HKAARN CCC(CC)C(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023326456 559154379 /nfs/dbraw/zinc/15/43/79/559154379.db2.gz GPPZLVOOIJTYEP-UHFFFAOYSA-N 0 0 402.494 5.562 50 0 HKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cccc(Cl)c2F)cc1 ZINC000023326702 559154410 /nfs/dbraw/zinc/15/44/10/559154410.db2.gz BXDLSQMFEYFGFU-UHFFFAOYSA-N 0 0 401.869 5.223 50 0 HKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)n2)c1 ZINC000023326806 559154622 /nfs/dbraw/zinc/15/46/22/559154622.db2.gz WCVQGUHDWAFNOU-UHFFFAOYSA-N 0 0 421.711 5.733 50 0 HKAARN C[C@@H](CC(=O)N(C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1)CC(C)(C)C ZINC000023326871 559154647 /nfs/dbraw/zinc/15/46/47/559154647.db2.gz WLEPRLPJAGDFQW-SFHVURJKSA-N 0 0 416.565 6.532 50 0 HKAARN C[C@H](CC(=O)N(C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1)CC(C)(C)C ZINC000023326875 559154694 /nfs/dbraw/zinc/15/46/94/559154694.db2.gz WLEPRLPJAGDFQW-GOSISDBHSA-N 0 0 416.565 6.532 50 0 HKAARN CCCn1cc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000023326932 559154691 /nfs/dbraw/zinc/15/46/91/559154691.db2.gz YNKGMOFCKWYAFW-UHFFFAOYSA-N 0 0 416.974 5.273 50 0 HKAARN O=C(CC1CCCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023327133 559154447 /nfs/dbraw/zinc/15/44/47/559154447.db2.gz MIEBXQFUTWGHTP-UHFFFAOYSA-N 0 0 419.544 5.976 50 0 HKAARN CSCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023327183 559154603 /nfs/dbraw/zinc/15/46/03/559154603.db2.gz XHINUDMSBVAMOQ-UHFFFAOYSA-N 0 0 406.338 5.538 50 0 HKAARN CCCN(CCC)C(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023327187 559154608 /nfs/dbraw/zinc/15/46/08/559154608.db2.gz HYFAKYNQLPFCSH-UHFFFAOYSA-N 0 0 403.526 5.113 50 0 HKAARN CCCC(=O)Nc1c2ccn(Cc3cccc(C)c3)c2ccc1OC(=O)N(CC)CC ZINC000023327221 559154601 /nfs/dbraw/zinc/15/46/01/559154601.db2.gz SCXOFOPCNFLBFJ-UHFFFAOYSA-N 0 0 421.541 5.577 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1c(C)cccc1Cl ZINC000023327359 559154912 /nfs/dbraw/zinc/15/49/12/559154912.db2.gz BNBVYUREDAQSBB-UHFFFAOYSA-N 0 0 408.807 5.561 50 0 HKAARN CC(C)(C)c1ccc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000023327421 559154929 /nfs/dbraw/zinc/15/49/29/559154929.db2.gz XIUSIUUTZUVUGB-UHFFFAOYSA-N 0 0 407.526 7.419 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1 ZINC000023327556 559155012 /nfs/dbraw/zinc/15/50/12/559155012.db2.gz SITVTHMUPKKVCR-GOSISDBHSA-N 0 0 423.561 5.300 50 0 HKAARN CCCC[C@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1 ZINC000023327560 559155003 /nfs/dbraw/zinc/15/50/03/559155003.db2.gz SITVTHMUPKKVCR-SFHVURJKSA-N 0 0 423.561 5.300 50 0 HKAARN CCOc1ccc(-c2nc3ccccc3c(N(CCC(C)C)CCC(C)C)n2)cc1 ZINC000023327714 559155100 /nfs/dbraw/zinc/15/51/00/559155100.db2.gz GYDRZMQJDFSUPX-UHFFFAOYSA-N 0 0 405.586 6.594 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)CCc1ccccc1 ZINC000023327794 559155095 /nfs/dbraw/zinc/15/50/95/559155095.db2.gz FAVVHMGRAFOKLJ-KRWDZBQOSA-N 0 0 407.535 5.648 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)CCc1ccccc1 ZINC000023327797 559155117 /nfs/dbraw/zinc/15/51/17/559155117.db2.gz FAVVHMGRAFOKLJ-QGZVFWFLSA-N 0 0 407.535 5.648 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)c[nH]c21 ZINC000023327822 559154994 /nfs/dbraw/zinc/15/49/94/559154994.db2.gz KAZOXLQKNYWWBV-UHFFFAOYSA-N 0 0 423.365 5.351 50 0 HKAARN CCCc1ccc(S(=O)(=O)N2CCC(c3cn(CCC)c4ccccc34)CC2)cc1 ZINC000023327859 559155013 /nfs/dbraw/zinc/15/50/13/559155013.db2.gz CVRIHMJRAZVBMD-UHFFFAOYSA-N 0 0 424.610 5.572 50 0 HKAARN COc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)NCCC(C)(C)C)c1 ZINC000023327947 559155212 /nfs/dbraw/zinc/15/52/12/559155212.db2.gz USYRPUIRQJQNGT-UHFFFAOYSA-N 0 0 411.933 5.367 50 0 HKAARN Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cc(Cl)ccc2Cl)c1 ZINC000023328074 559155630 /nfs/dbraw/zinc/15/56/30/559155630.db2.gz VWIOVAXCRBVEJM-UHFFFAOYSA-N 0 0 402.325 6.037 50 0 HKAARN CC(C)CCC(=O)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023328106 559156014 /nfs/dbraw/zinc/15/60/14/559156014.db2.gz LGIJTCBYSQWRRV-UHFFFAOYSA-N 0 0 402.494 5.562 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1)C1CCCCC1 ZINC000023328236 559166625 /nfs/dbraw/zinc/16/66/25/559166625.db2.gz UCXHQAIVPXEYAX-UHFFFAOYSA-N 0 0 424.342 5.821 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cc2c(s1)-c1ccccc1OC2 ZINC000023328271 559166640 /nfs/dbraw/zinc/16/66/40/559166640.db2.gz AZZYMNASHMVFDP-UHFFFAOYSA-N 0 0 404.318 5.587 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cc(N2CCc3ccccc3C2)nc2ccccc21 ZINC000023328347 559166806 /nfs/dbraw/zinc/16/68/06/559166806.db2.gz BHHGVCZYIWGAPJ-UHFFFAOYSA-N 0 0 411.549 5.418 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023328393 559166748 /nfs/dbraw/zinc/16/67/48/559166748.db2.gz JEVUHCJPWXYRDT-UHFFFAOYSA-N 0 0 424.466 5.253 50 0 HKAARN CCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023328399 559166758 /nfs/dbraw/zinc/16/67/58/559166758.db2.gz CXHSCSSYBYQKGO-UHFFFAOYSA-N 0 0 404.579 6.520 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)s3)n2N)c1 ZINC000023328416 558549319 /nfs/dbraw/zinc/54/93/19/558549319.db2.gz FHCYEYNUYAHAKB-UHFFFAOYSA-N 0 0 408.980 5.010 50 0 HKAARN Cc1ccc(F)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023328493 559166773 /nfs/dbraw/zinc/16/67/73/559166773.db2.gz SUTLCGXRSLZRMD-DEOSSOPVSA-N 0 0 422.931 5.335 50 0 HKAARN Cc1ccc(F)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023328496 559166735 /nfs/dbraw/zinc/16/67/35/559166735.db2.gz SUTLCGXRSLZRMD-XMMPIXPASA-N 0 0 422.931 5.335 50 0 HKAARN O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023328518 559166738 /nfs/dbraw/zinc/16/67/38/559166738.db2.gz DARNZPRMMTULKI-HSZRJFAPSA-N 0 0 412.316 5.547 50 0 HKAARN O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023328521 559166767 /nfs/dbraw/zinc/16/67/67/559166767.db2.gz DARNZPRMMTULKI-QHCPKHFHSA-N 0 0 412.316 5.547 50 0 HKAARN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000023328527 559166850 /nfs/dbraw/zinc/16/68/50/559166850.db2.gz DKBJVGZNMFAZBS-LBPRGKRZSA-N 0 0 420.387 5.048 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023328564 559166777 /nfs/dbraw/zinc/16/67/77/559166777.db2.gz VSTJFOWKLMDMMV-QHCPKHFHSA-N 0 0 406.913 5.918 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023328567 559166778 /nfs/dbraw/zinc/16/67/78/559166778.db2.gz VSTJFOWKLMDMMV-HSZRJFAPSA-N 0 0 406.913 5.918 50 0 HKAARN C[C@@H]1C[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1 ZINC000023328585 559166789 /nfs/dbraw/zinc/16/67/89/559166789.db2.gz NGPVCGYBFHVLFJ-VQIMIIECSA-N 0 0 423.507 5.762 50 0 HKAARN C[C@H]1C[C@@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1 ZINC000023328589 559166769 /nfs/dbraw/zinc/16/67/69/559166769.db2.gz NGPVCGYBFHVLFJ-QFBILLFUSA-N 0 0 423.507 5.762 50 0 HKAARN C[C@@H]1C[C@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1 ZINC000023328592 559166761 /nfs/dbraw/zinc/16/67/61/559166761.db2.gz NGPVCGYBFHVLFJ-APWZRJJASA-N 0 0 423.507 5.762 50 0 HKAARN C[C@H]1C[C@H](NC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)CC(C)(C)C1 ZINC000023328595 559166794 /nfs/dbraw/zinc/16/67/94/559166794.db2.gz NGPVCGYBFHVLFJ-LPHOPBHVSA-N 0 0 423.507 5.762 50 0 HKAARN O=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1sc2ccccc2c1Cl ZINC000023328613 559166798 /nfs/dbraw/zinc/16/67/98/559166798.db2.gz WIAPGCICGKCZNF-UHFFFAOYSA-N 0 0 403.784 6.044 50 0 HKAARN Clc1ccc(SCc2csc(Cc3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC000023328630 559166838 /nfs/dbraw/zinc/16/68/38/559166838.db2.gz MLFRUATXZOPQBK-UHFFFAOYSA-N 0 0 410.347 6.062 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)c[nH]c21 ZINC000023328642 559166852 /nfs/dbraw/zinc/16/68/52/559166852.db2.gz DUDXLBPCOKLSQA-UHFFFAOYSA-N 0 0 410.583 5.278 50 0 HKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023328700 559166840 /nfs/dbraw/zinc/16/68/40/559166840.db2.gz PPYBQNHOWJSIOQ-HXUWFJFHSA-N 0 0 416.569 5.162 50 0 HKAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023328703 534984502 /nfs/dbraw/zinc/98/45/02/534984502.db2.gz PPYBQNHOWJSIOQ-FQEVSTJZSA-N 0 0 416.569 5.162 50 0 HKAARN Fc1ccc(Cc2nc(CSc3ccc(Cl)cc3Cl)cs2)c(Cl)c1 ZINC000023328714 559166854 /nfs/dbraw/zinc/16/68/54/559166854.db2.gz RNWLSHSLJBMXMV-UHFFFAOYSA-N 0 0 418.773 7.126 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)/C=C/c1ccccc1 ZINC000023328851 559166953 /nfs/dbraw/zinc/16/69/53/559166953.db2.gz HYSLXHXMLNUFJC-ZWKQNVPVSA-N 0 0 405.519 5.729 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)/C=C/c1ccccc1 ZINC000023328853 559167039 /nfs/dbraw/zinc/16/70/39/559167039.db2.gz HYSLXHXMLNUFJC-IAOULYHDSA-N 0 0 405.519 5.729 50 0 HKAARN Cc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000023328866 559166988 /nfs/dbraw/zinc/16/69/88/559166988.db2.gz JRMJWKFLSZWCDG-UHFFFAOYSA-N 0 0 402.325 6.037 50 0 HKAARN CCCC[C@@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023328965 559167140 /nfs/dbraw/zinc/16/71/40/559167140.db2.gz WTKKSRJYBOOCCZ-QGZVFWFLSA-N 0 0 421.545 5.054 50 0 HKAARN CCCC[C@H](CC)CNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023328968 559167146 /nfs/dbraw/zinc/16/71/46/559167146.db2.gz WTKKSRJYBOOCCZ-KRWDZBQOSA-N 0 0 421.545 5.054 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2cccc(F)c2)n1 ZINC000023329039 559167151 /nfs/dbraw/zinc/16/71/51/559167151.db2.gz KCHOXOXTENVQCH-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN CC1CCC(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)CC1 ZINC000023329075 559167163 /nfs/dbraw/zinc/16/71/63/559167163.db2.gz BNXLIFAABQTACB-UHFFFAOYSA-N 0 0 419.544 5.832 50 0 HKAARN CCC(CC)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023329107 559167094 /nfs/dbraw/zinc/16/70/94/559167094.db2.gz GWTDCDVQGLXAPY-UHFFFAOYSA-N 0 0 401.432 5.477 50 0 HKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023329309 559167247 /nfs/dbraw/zinc/16/72/47/559167247.db2.gz JAIOYAYXXOZOQA-HSZRJFAPSA-N 0 0 401.575 6.880 50 0 HKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023329312 559167237 /nfs/dbraw/zinc/16/72/37/559167237.db2.gz JAIOYAYXXOZOQA-QHCPKHFHSA-N 0 0 401.575 6.880 50 0 HKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2c(OC)cccc2OC)cc1 ZINC000023329350 559167259 /nfs/dbraw/zinc/16/72/59/559167259.db2.gz KPZPMQHBKPZVIF-GOSISDBHSA-N 0 0 421.541 5.255 50 0 HKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1ccc(-c2c(OC)cccc2OC)cc1 ZINC000023329354 559167230 /nfs/dbraw/zinc/16/72/30/559167230.db2.gz KPZPMQHBKPZVIF-SFHVURJKSA-N 0 0 421.541 5.255 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000023329363 559167273 /nfs/dbraw/zinc/16/72/73/559167273.db2.gz DQUMDCAPXWNOLW-UHFFFAOYSA-N 0 0 405.395 5.580 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000023329469 559167376 /nfs/dbraw/zinc/16/73/76/559167376.db2.gz OMESAZDEYVVAKH-UHFFFAOYSA-N 0 0 405.395 5.580 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000023329618 559167484 /nfs/dbraw/zinc/16/74/84/559167484.db2.gz WMNJRYBFFMFTDS-GOSISDBHSA-N 0 0 400.400 5.476 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000023329621 559167497 /nfs/dbraw/zinc/16/74/97/559167497.db2.gz WMNJRYBFFMFTDS-SFHVURJKSA-N 0 0 400.400 5.476 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2c(C)noc2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000023329630 559167512 /nfs/dbraw/zinc/16/75/12/559167512.db2.gz RVIWQQIPKONEAD-GFCCVEGCSA-N 0 0 420.387 5.048 50 0 HKAARN COC(=O)c1ccccc1SCc1csc(Cc2ccc(F)cc2Cl)n1 ZINC000023329664 559167364 /nfs/dbraw/zinc/16/73/64/559167364.db2.gz DWFDZHBKFLHSLI-UHFFFAOYSA-N 0 0 407.919 5.605 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000023329765 559167490 /nfs/dbraw/zinc/16/74/90/559167490.db2.gz KXVITZPXPRUUEY-UHFFFAOYSA-N 0 0 405.395 5.580 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000023329814 559167607 /nfs/dbraw/zinc/16/76/07/559167607.db2.gz YLAPCXQHACZTCT-DEOSSOPVSA-N 0 0 422.931 5.335 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000023329817 559167637 /nfs/dbraw/zinc/16/76/37/559167637.db2.gz YLAPCXQHACZTCT-XMMPIXPASA-N 0 0 422.931 5.335 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)n2)cc1 ZINC000023329819 559167663 /nfs/dbraw/zinc/16/76/63/559167663.db2.gz GJRIUAATGRTWIL-UHFFFAOYSA-N 0 0 421.711 5.733 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)COc1ccccc1 ZINC000023329822 559167645 /nfs/dbraw/zinc/16/76/45/559167645.db2.gz RVZBLMLUOURGDD-INIZCTEOSA-N 0 0 409.507 5.094 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)COc1ccccc1 ZINC000023329825 559167643 /nfs/dbraw/zinc/16/76/43/559167643.db2.gz RVZBLMLUOURGDD-MRXNPFEDSA-N 0 0 409.507 5.094 50 0 HKAARN C[C@@H]1C[C@@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)CC(C)(C)C1 ZINC000023329901 559167653 /nfs/dbraw/zinc/16/76/53/559167653.db2.gz MVCCTEVWCLOVLG-DYESRHJHSA-N 0 0 421.972 6.137 50 0 HKAARN C[C@H]1C[C@@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)CC(C)(C)C1 ZINC000023329904 559167662 /nfs/dbraw/zinc/16/76/62/559167662.db2.gz MVCCTEVWCLOVLG-LAUBAEHRSA-N 0 0 421.972 6.137 50 0 HKAARN C[C@@H]1C[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)CC(C)(C)C1 ZINC000023329907 559167586 /nfs/dbraw/zinc/16/75/86/559167586.db2.gz MVCCTEVWCLOVLG-UTKZUKDTSA-N 0 0 421.972 6.137 50 0 HKAARN C[C@H]1C[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)CC(C)(C)C1 ZINC000023329910 559167658 /nfs/dbraw/zinc/16/76/58/559167658.db2.gz MVCCTEVWCLOVLG-UWJYYQICSA-N 0 0 421.972 6.137 50 0 HKAARN Clc1cccc(SCc2csc(Cc3ccc4c(c3)OCO4)n2)c1Cl ZINC000023329926 559167588 /nfs/dbraw/zinc/16/75/88/559167588.db2.gz OJLLUIKKCIEQIM-UHFFFAOYSA-N 0 0 410.347 6.062 50 0 HKAARN Fc1ccc(Cc2nc(CSc3cccc(Cl)c3Cl)cs2)c(Cl)c1 ZINC000023329982 559167691 /nfs/dbraw/zinc/16/76/91/559167691.db2.gz RBLDRDVDXLODCF-UHFFFAOYSA-N 0 0 418.773 7.126 50 0 HKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000023329996 559167626 /nfs/dbraw/zinc/16/76/26/559167626.db2.gz POYQEXAODHOPQZ-SFHVURJKSA-N 0 0 421.541 5.111 50 0 HKAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@H](C)CCC(C)C)cc1 ZINC000023329999 559167606 /nfs/dbraw/zinc/16/76/06/559167606.db2.gz POYQEXAODHOPQZ-GOSISDBHSA-N 0 0 421.541 5.111 50 0 HKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000023330013 559167659 /nfs/dbraw/zinc/16/76/59/559167659.db2.gz ULRZODOCPGDWPZ-GOSISDBHSA-N 0 0 421.541 5.255 50 0 HKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000023330016 559167981 /nfs/dbraw/zinc/16/79/81/559167981.db2.gz ULRZODOCPGDWPZ-SFHVURJKSA-N 0 0 421.541 5.255 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c[nH]c21 ZINC000023330054 559167961 /nfs/dbraw/zinc/16/79/61/559167961.db2.gz ZVVYGALIBLSWDP-UHFFFAOYSA-N 0 0 422.472 5.063 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n(-c2ccccc2Cl)n1 ZINC000023330078 559167947 /nfs/dbraw/zinc/16/79/47/559167947.db2.gz RMVRXXHDVIBIGQ-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cc(Cl)ccc2F)n(-c2ccccc2Cl)n1 ZINC000023330236 559167898 /nfs/dbraw/zinc/16/78/98/559167898.db2.gz NQYNNORKAIUVLO-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN CCC(CC)C(=O)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023330239 559167996 /nfs/dbraw/zinc/16/79/96/559167996.db2.gz SDAAAFXMBKTYAE-UHFFFAOYSA-N 0 0 402.494 5.562 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3onc4c3CCCC4)cc2)cc1C(F)(F)F ZINC000023330275 559167979 /nfs/dbraw/zinc/16/79/79/559167979.db2.gz YGYUSBIBJIBTBL-UHFFFAOYSA-N 0 0 416.399 5.500 50 0 HKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023330304 559167958 /nfs/dbraw/zinc/16/79/58/559167958.db2.gz HVGLEHRRQDFHKE-UHFFFAOYSA-N 0 0 405.397 5.093 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2F)n(-c2ccccc2Cl)n1 ZINC000023330444 559167967 /nfs/dbraw/zinc/16/79/67/559167967.db2.gz NEAPUUQSGDNCOF-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCCC3)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000023330535 559167985 /nfs/dbraw/zinc/16/79/85/559167985.db2.gz OWPRVYAMECFNLW-UHFFFAOYSA-N 0 0 421.711 6.433 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c[nH]c21 ZINC000023330635 559169041 /nfs/dbraw/zinc/16/90/41/559169041.db2.gz COIDGAQACQTHLB-UHFFFAOYSA-N 0 0 423.365 5.351 50 0 HKAARN CCCSc1ncccc1C(=O)N(Cc1nc2cc(C)ccc2o1)C1CCCCC1 ZINC000023330718 559168223 /nfs/dbraw/zinc/16/82/23/559168223.db2.gz BAAPHVUEYDDSJC-UHFFFAOYSA-N 0 0 423.582 6.008 50 0 HKAARN COc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)sc2c1 ZINC000023330803 558549471 /nfs/dbraw/zinc/54/94/71/558549471.db2.gz ADGIMUCZJPUGCC-UHFFFAOYSA-N 0 0 415.927 5.263 50 0 HKAARN Clc1cccc(Cl)c1SCc1csc(Cc2ccc3c(c2)OCO3)n1 ZINC000023330900 559169648 /nfs/dbraw/zinc/16/96/48/559169648.db2.gz RNMVVOMPLXPYMR-UHFFFAOYSA-N 0 0 410.347 6.062 50 0 HKAARN O=C(c1ccc(-c2ccc(C3CCCCC3)cc2)s1)N1CCc2ccccc2C1 ZINC000023330946 559169888 /nfs/dbraw/zinc/16/98/88/559169888.db2.gz UPUPQMCEINVJJC-UHFFFAOYSA-N 0 0 401.575 6.661 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3c(F)ccc(C)c3F)CC2)cc1 ZINC000023330949 559169918 /nfs/dbraw/zinc/16/99/18/559169918.db2.gz XFNHZJZYUKIGSQ-VWLOTQADSA-N 0 0 420.503 5.129 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3c(F)ccc(C)c3F)CC2)cc1 ZINC000023330952 559169894 /nfs/dbraw/zinc/16/98/94/559169894.db2.gz XFNHZJZYUKIGSQ-RUZDIDTESA-N 0 0 420.503 5.129 50 0 HKAARN Fc1ccc(Cc2nc(CSc3c(Cl)cccc3Cl)cs2)c(Cl)c1 ZINC000023330996 559170296 /nfs/dbraw/zinc/17/02/96/559170296.db2.gz ZOSADBSVFZMABT-UHFFFAOYSA-N 0 0 418.773 7.126 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000023330999 559170292 /nfs/dbraw/zinc/17/02/92/559170292.db2.gz XIXISWIVYUSFFT-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)cc1OC ZINC000023331002 559170274 /nfs/dbraw/zinc/17/02/74/559170274.db2.gz XIXISWIVYUSFFT-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN COc1cccc(-c2cccc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)n2)c1 ZINC000023331036 559169933 /nfs/dbraw/zinc/16/99/33/559169933.db2.gz GBYZBIBETNJQJZ-UHFFFAOYSA-N 0 0 421.711 5.733 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023331061 558549480 /nfs/dbraw/zinc/54/94/80/558549480.db2.gz GFQCLOKCWFOQJO-UHFFFAOYSA-N 0 0 424.466 5.253 50 0 HKAARN CC1(C)C(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)C1(C)C ZINC000023331068 559169874 /nfs/dbraw/zinc/16/98/74/559169874.db2.gz KJLIHGFCUQGSMJ-UHFFFAOYSA-N 0 0 419.544 5.688 50 0 HKAARN CCC(CC)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023331121 559170518 /nfs/dbraw/zinc/17/05/18/559170518.db2.gz OBDHDMIDEJEXIF-UHFFFAOYSA-N 0 0 417.431 5.356 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2F)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023331256 559170489 /nfs/dbraw/zinc/17/04/89/559170489.db2.gz OLMVMUWTZPOOBE-UHFFFAOYSA-N 0 0 406.288 5.868 50 0 HKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000023331299 559170517 /nfs/dbraw/zinc/17/05/17/559170517.db2.gz WUODXWGUSNSTRY-UHFFFAOYSA-N 0 0 418.324 5.738 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCC2CCCC2)cc1 ZINC000023331307 559170492 /nfs/dbraw/zinc/17/04/92/559170492.db2.gz UWJGRCRWGIBOLO-UHFFFAOYSA-N 0 0 423.944 6.110 50 0 HKAARN CC(C)(C)c1ccccc1SCc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000023331314 559170514 /nfs/dbraw/zinc/17/05/14/559170514.db2.gz SSLZSACQOIIQHC-UHFFFAOYSA-N 0 0 422.446 7.631 50 0 HKAARN CCCC(CCC)NC(=O)c1cncn1-c1ccc(-c2c(OC)cccc2OC)cc1 ZINC000023331323 559170511 /nfs/dbraw/zinc/17/05/11/559170511.db2.gz UPKMOOWHAIPRED-UHFFFAOYSA-N 0 0 421.541 5.255 50 0 HKAARN COc1ccc(-c2cc(NC(=O)C(C)C)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000023331327 559170491 /nfs/dbraw/zinc/17/04/91/559170491.db2.gz RGMZAXYLEYFOHS-UHFFFAOYSA-N 0 0 404.297 5.449 50 0 HKAARN CCCCC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc21 ZINC000023331362 559170505 /nfs/dbraw/zinc/17/05/05/559170505.db2.gz SLMXEFMRFNDZAH-OAHLLOKOSA-N 0 0 410.514 5.519 50 0 HKAARN CCCCC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc21 ZINC000023331365 559170506 /nfs/dbraw/zinc/17/05/06/559170506.db2.gz SLMXEFMRFNDZAH-HNNXBMFYSA-N 0 0 410.514 5.519 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023331487 559170521 /nfs/dbraw/zinc/17/05/21/559170521.db2.gz TYFWUIOWWSOLBH-HSZRJFAPSA-N 0 0 406.913 5.918 50 0 HKAARN CCOc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc1 ZINC000023331489 559170495 /nfs/dbraw/zinc/17/04/95/559170495.db2.gz TYFWUIOWWSOLBH-QHCPKHFHSA-N 0 0 406.913 5.918 50 0 HKAARN O=c1c2cc(Br)ccc2nc(-c2cccc(F)c2)n1Cc1ccccc1 ZINC000023331491 559170290 /nfs/dbraw/zinc/17/02/90/559170290.db2.gz WBMUJKRTMZLIQX-UHFFFAOYSA-N 0 0 409.258 5.013 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000023331508 559170313 /nfs/dbraw/zinc/17/03/13/559170313.db2.gz QVEIOPZJFCGRLM-QHCPKHFHSA-N 0 0 406.913 5.837 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000023331510 559170318 /nfs/dbraw/zinc/17/03/18/559170318.db2.gz QVEIOPZJFCGRLM-HSZRJFAPSA-N 0 0 406.913 5.837 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023331512 559170287 /nfs/dbraw/zinc/17/02/87/559170287.db2.gz BINHNZAYJPHGTF-UHFFFAOYSA-N 0 0 420.317 5.423 50 0 HKAARN CC(C)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl ZINC000023331520 559170278 /nfs/dbraw/zinc/17/02/78/559170278.db2.gz RAIMVMHGXYTORG-UHFFFAOYSA-N 0 0 408.716 6.094 50 0 HKAARN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1 ZINC000023331542 559170256 /nfs/dbraw/zinc/17/02/56/559170256.db2.gz CGGIDUAJHDZBCU-GFCCVEGCSA-N 0 0 414.324 5.561 50 0 HKAARN C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1 ZINC000023331544 559170281 /nfs/dbraw/zinc/17/02/81/559170281.db2.gz CGGIDUAJHDZBCU-LBPRGKRZSA-N 0 0 414.324 5.561 50 0 HKAARN CCCCN(CCCC)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc21 ZINC000023331546 559170283 /nfs/dbraw/zinc/17/02/83/559170283.db2.gz ALTHYTGRKRJTGS-UHFFFAOYSA-N 0 0 402.369 7.010 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)COCc1ccccc1 ZINC000023331612 559170414 /nfs/dbraw/zinc/17/04/14/559170414.db2.gz OXTYEQXIFDBEEZ-KRWDZBQOSA-N 0 0 423.534 5.232 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)COCc1ccccc1 ZINC000023331614 559170469 /nfs/dbraw/zinc/17/04/69/559170469.db2.gz OXTYEQXIFDBEEZ-QGZVFWFLSA-N 0 0 423.534 5.232 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc(OC)c1 ZINC000023331620 559170431 /nfs/dbraw/zinc/17/04/31/559170431.db2.gz FPAOFTISDATKDF-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)cc(OC)c1 ZINC000023331622 559170417 /nfs/dbraw/zinc/17/04/17/559170417.db2.gz FPAOFTISDATKDF-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(C)c2)c1 ZINC000023331667 559170468 /nfs/dbraw/zinc/17/04/68/559170468.db2.gz XUGXGRMIEIQJGD-UHFFFAOYSA-N 0 0 405.498 5.153 50 0 HKAARN COc1ccc(-c2nc(CSc3ccc(Cl)c(Cl)c3)cs2)cc1OC ZINC000023331693 559170441 /nfs/dbraw/zinc/17/04/41/559170441.db2.gz JCTBUNYWVFBWLC-UHFFFAOYSA-N 0 0 412.363 6.426 50 0 HKAARN CC(C)(C)c1ccccc1SCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000023331755 559170412 /nfs/dbraw/zinc/17/04/12/559170412.db2.gz RUZPKXCWKSQYJB-UHFFFAOYSA-N 0 0 407.526 7.419 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)c(OC)c1 ZINC000023331853 559170409 /nfs/dbraw/zinc/17/04/09/559170409.db2.gz XARZDBNLPCMEQI-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)c(OC)c1 ZINC000023331855 559170419 /nfs/dbraw/zinc/17/04/19/559170419.db2.gz XARZDBNLPCMEQI-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN CCCC(CCC)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1 ZINC000023331879 559170407 /nfs/dbraw/zinc/17/04/07/559170407.db2.gz NVMPQFJHWYGJOG-UHFFFAOYSA-N 0 0 421.541 5.255 50 0 HKAARN CSc1nsc(SCc2csc(Cc3ccc(F)cc3Cl)n2)n1 ZINC000023331900 559170443 /nfs/dbraw/zinc/17/04/43/559170443.db2.gz WVRJJMAUTBYRQV-UHFFFAOYSA-N 0 0 403.982 5.392 50 0 HKAARN CC(C)(C)CCNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023331914 559170503 /nfs/dbraw/zinc/17/05/03/559170503.db2.gz ZDNUZCKNMZNQAW-UHFFFAOYSA-N 0 0 415.459 5.724 50 0 HKAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023331970 559170499 /nfs/dbraw/zinc/17/04/99/559170499.db2.gz MHMIWYQELSQKRT-UHFFFAOYSA-N 0 0 403.469 6.485 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2cccc(F)c2)n1 ZINC000023332014 559170595 /nfs/dbraw/zinc/17/05/95/559170595.db2.gz ZVSNBBYIJZOSRR-UHFFFAOYSA-N 0 0 405.395 5.580 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc(F)c2)n1 ZINC000023332027 559170646 /nfs/dbraw/zinc/17/06/46/559170646.db2.gz FKIJTYNGZRYSIH-UHFFFAOYSA-N 0 0 421.394 5.460 50 0 HKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)CC1CCCC1 ZINC000023332033 559170587 /nfs/dbraw/zinc/17/05/87/559170587.db2.gz OMNQEDQMWFIMMD-UHFFFAOYSA-N 0 0 402.494 5.635 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000023332042 559170630 /nfs/dbraw/zinc/17/06/30/559170630.db2.gz ZXBDWMRNNFXGAP-FQEVSTJZSA-N 0 0 407.535 5.648 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H](CC)c1ccccc1 ZINC000023332044 559170620 /nfs/dbraw/zinc/17/06/20/559170620.db2.gz ZXBDWMRNNFXGAP-HXUWFJFHSA-N 0 0 407.535 5.648 50 0 HKAARN O=C(NC1CCCC1)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023332080 559170635 /nfs/dbraw/zinc/17/06/35/559170635.db2.gz PVJUXEAMUHBRMD-UHFFFAOYSA-N 0 0 415.415 5.110 50 0 HKAARN O=c1c2ccccc2nc(-c2cccc(OCc3ccccc3)c2)n1C1CCCCC1 ZINC000023332138 559170618 /nfs/dbraw/zinc/17/06/18/559170618.db2.gz MJSKSIAHMODDLI-UHFFFAOYSA-N 0 0 410.517 6.148 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2cccc(C)c2)n1 ZINC000023332158 559170612 /nfs/dbraw/zinc/17/06/12/559170612.db2.gz BAZAOCQXTRQKPK-UHFFFAOYSA-N 0 0 405.498 5.009 50 0 HKAARN CSc1nnc(SCc2csc(Cc3ccc(F)cc3Cl)n2)s1 ZINC000023332204 559170650 /nfs/dbraw/zinc/17/06/50/559170650.db2.gz JSQXDWQCHDIZHA-UHFFFAOYSA-N 0 0 403.982 5.392 50 0 HKAARN Cc1ccc(C(C)(C)C)cc1SCc1csc(Cc2ccc3c(c2)OCO3)n1 ZINC000023332216 559170637 /nfs/dbraw/zinc/17/06/37/559170637.db2.gz TUCHSGDOSDFAMH-UHFFFAOYSA-N 0 0 411.592 6.361 50 0 HKAARN CSCCCNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023332307 559170590 /nfs/dbraw/zinc/17/05/90/559170590.db2.gz RLXMEPMNSCMZJA-UHFFFAOYSA-N 0 0 419.472 5.041 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023332317 558549545 /nfs/dbraw/zinc/54/95/45/558549545.db2.gz DSFPQYPKQUAFHA-NRFANRHFSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023332319 558549570 /nfs/dbraw/zinc/54/95/70/558549570.db2.gz DSFPQYPKQUAFHA-OAQYLSRUSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCC(Cc2ccccc2)CC1 ZINC000023332404 559170726 /nfs/dbraw/zinc/17/07/26/559170726.db2.gz QLBBGBNIROHKDS-UHFFFAOYSA-N 0 0 419.546 5.281 50 0 HKAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2C)c1 ZINC000023332455 559170729 /nfs/dbraw/zinc/17/07/29/559170729.db2.gz QVVXSJYPUGKYOD-UHFFFAOYSA-N 0 0 405.498 5.153 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000023332462 559170714 /nfs/dbraw/zinc/17/07/14/559170714.db2.gz UERMTZFNNVGQJL-UHFFFAOYSA-N 0 0 420.308 7.428 50 0 HKAARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)C1CCCCC1 ZINC000023332503 559170697 /nfs/dbraw/zinc/17/06/97/559170697.db2.gz YZTDKYXBKUCNEC-UHFFFAOYSA-N 0 0 414.505 5.706 50 0 HKAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)c[nH]c21 ZINC000023332509 571315424 /nfs/dbraw/zinc/31/54/24/571315424.db2.gz WFQKMFQTDOJYBN-UHFFFAOYSA-N 0 0 422.472 5.063 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023332565 559171442 /nfs/dbraw/zinc/17/14/42/559171442.db2.gz KNXVMQYSOLIUQT-DEOSSOPVSA-N 0 0 403.953 6.425 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023332567 559171378 /nfs/dbraw/zinc/17/13/78/559171378.db2.gz KNXVMQYSOLIUQT-XMMPIXPASA-N 0 0 403.953 6.425 50 0 HKAARN CCCCc1ccc(NC(=O)c2sc3cc(OC)c(OC)cc3c2Cl)cc1 ZINC000023332575 559171232 /nfs/dbraw/zinc/17/12/32/559171232.db2.gz RUAIVKHGHZUALX-UHFFFAOYSA-N 0 0 403.931 6.167 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000023332733 559171531 /nfs/dbraw/zinc/17/15/31/559171531.db2.gz WWUSSNZJVLHUJE-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc1OC ZINC000023332735 559171525 /nfs/dbraw/zinc/17/15/25/559171525.db2.gz WWUSSNZJVLHUJE-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@@H](C)CC)c2)n(-c2cccc(C)c2)n1 ZINC000023332770 559171535 /nfs/dbraw/zinc/17/15/35/559171535.db2.gz GBNLAZFCLLHIQN-KRWDZBQOSA-N 0 0 405.498 5.009 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@H](C)CC)c2)n(-c2cccc(C)c2)n1 ZINC000023332772 559171563 /nfs/dbraw/zinc/17/15/63/559171563.db2.gz GBNLAZFCLLHIQN-QGZVFWFLSA-N 0 0 405.498 5.009 50 0 HKAARN CCCN(CCC)C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CCC(C)C)c1 ZINC000023332796 559171546 /nfs/dbraw/zinc/17/15/46/559171546.db2.gz LOSSWJIZUOJMFO-UHFFFAOYSA-N 0 0 423.561 5.082 50 0 HKAARN CCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cc(Cl)ccc2Cl)cc1 ZINC000023332820 559171671 /nfs/dbraw/zinc/17/16/71/559171671.db2.gz GFWLPIPHEUWEST-UHFFFAOYSA-N 0 0 416.352 6.291 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023332902 559171537 /nfs/dbraw/zinc/17/15/37/559171537.db2.gz XESCKACDQAHTND-NRFANRHFSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023332904 559171533 /nfs/dbraw/zinc/17/15/33/559171533.db2.gz XESCKACDQAHTND-OAQYLSRUSA-N 0 0 400.280 5.920 50 0 HKAARN CC(C)CN(CC(C)C)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc21 ZINC000023332963 559171653 /nfs/dbraw/zinc/17/16/53/559171653.db2.gz LECUFTDHWIZIFH-UHFFFAOYSA-N 0 0 402.369 6.722 50 0 HKAARN CC(C)N(C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)C1CCCCC1 ZINC000023332978 559171646 /nfs/dbraw/zinc/17/16/46/559171646.db2.gz CCXZVPRDBUJATG-UHFFFAOYSA-N 0 0 419.590 7.391 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000023333004 559171665 /nfs/dbraw/zinc/17/16/65/559171665.db2.gz VHQCWNPQTCSKLZ-UHFFFAOYSA-N 0 0 401.434 5.046 50 0 HKAARN CCCn1cc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c2ccccc21 ZINC000023333016 559171638 /nfs/dbraw/zinc/17/16/38/559171638.db2.gz RNSDCQHVALBDRO-UHFFFAOYSA-N 0 0 424.610 5.545 50 0 HKAARN CCCN(CC1CC1)C(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023333026 559171633 /nfs/dbraw/zinc/17/16/33/559171633.db2.gz SPJHPZSEQGXNAR-UHFFFAOYSA-N 0 0 415.537 5.113 50 0 HKAARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2)c1 ZINC000023333037 559171683 /nfs/dbraw/zinc/17/16/83/559171683.db2.gz GCEQSZLRGNBWHF-UHFFFAOYSA-N 0 0 416.521 5.952 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000023333057 559171643 /nfs/dbraw/zinc/17/16/43/559171643.db2.gz PETOQDRQERWIRM-DEOSSOPVSA-N 0 0 414.505 5.351 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000023333059 559171675 /nfs/dbraw/zinc/17/16/75/559171675.db2.gz PETOQDRQERWIRM-XMMPIXPASA-N 0 0 414.505 5.351 50 0 HKAARN C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)C1CCCCC1 ZINC000023333162 559171839 /nfs/dbraw/zinc/17/18/39/559171839.db2.gz PCYLCYLHXCDLQL-MRXNPFEDSA-N 0 0 402.494 5.329 50 0 HKAARN C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)C1CCCCC1 ZINC000023333164 559171838 /nfs/dbraw/zinc/17/18/38/559171838.db2.gz PCYLCYLHXCDLQL-INIZCTEOSA-N 0 0 402.494 5.329 50 0 HKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)s1)N1CC=C(c2ccccc2)CC1 ZINC000023333195 559171778 /nfs/dbraw/zinc/17/17/78/559171778.db2.gz OSDZYCZEFULOTK-UHFFFAOYSA-N 0 0 413.464 6.363 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000023333245 558549542 /nfs/dbraw/zinc/54/95/42/558549542.db2.gz FSDTWQXEQRUUIC-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000023333247 558549522 /nfs/dbraw/zinc/54/95/22/558549522.db2.gz FSDTWQXEQRUUIC-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000023333309 559171792 /nfs/dbraw/zinc/17/17/92/559171792.db2.gz GBUJVKPZDBUJDD-UHFFFAOYSA-N 0 0 417.431 5.450 50 0 HKAARN Cc1ccc(-c2onc3c2CCCC3)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000023333375 559171811 /nfs/dbraw/zinc/17/18/11/559171811.db2.gz RGCGNPPJHXJGLA-UHFFFAOYSA-N 0 0 404.363 5.338 50 0 HKAARN CCOC(=O)c1c(NC(=O)C(C)C)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000023333407 559171896 /nfs/dbraw/zinc/17/18/96/559171896.db2.gz CIZKIVIVGRLNPL-UHFFFAOYSA-N 0 0 408.473 5.114 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2cccc(C)c2)n1 ZINC000023333439 558549527 /nfs/dbraw/zinc/54/95/27/558549527.db2.gz GZBKNLSIQGJUIZ-UHFFFAOYSA-N 0 0 405.498 5.009 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@@H](C)CC)c2)n(-c2ccccc2C)n1 ZINC000023333479 559171902 /nfs/dbraw/zinc/17/19/02/559171902.db2.gz KFEPALKMEKPGFA-INIZCTEOSA-N 0 0 405.498 5.009 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@H](C)CC)c2)n(-c2ccccc2C)n1 ZINC000023333481 559171887 /nfs/dbraw/zinc/17/18/87/559171887.db2.gz KFEPALKMEKPGFA-MRXNPFEDSA-N 0 0 405.498 5.009 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(F)cc1F ZINC000023333578 559171905 /nfs/dbraw/zinc/17/19/05/559171905.db2.gz KXICWDIFODTJPY-UHFFFAOYSA-N 0 0 401.434 5.046 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c(C)c1 ZINC000023333597 558549475 /nfs/dbraw/zinc/54/94/75/558549475.db2.gz BUWFBKLJZHEKGQ-HSZRJFAPSA-N 0 0 406.913 5.837 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c(C)c1 ZINC000023333599 558549493 /nfs/dbraw/zinc/54/94/93/558549493.db2.gz BUWFBKLJZHEKGQ-QHCPKHFHSA-N 0 0 406.913 5.837 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)Cc1ccc(F)cc1 ZINC000023333613 559171893 /nfs/dbraw/zinc/17/18/93/559171893.db2.gz HJDJNLZNOUGMOW-HNNXBMFYSA-N 0 0 411.498 5.397 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)Cc1ccc(F)cc1 ZINC000023333615 559171890 /nfs/dbraw/zinc/17/18/90/559171890.db2.gz HJDJNLZNOUGMOW-OAHLLOKOSA-N 0 0 411.498 5.397 50 0 HKAARN CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023333616 559171980 /nfs/dbraw/zinc/17/19/80/559171980.db2.gz YHALBMHVANLCTA-HSZRJFAPSA-N 0 0 406.913 5.918 50 0 HKAARN CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023333618 559172053 /nfs/dbraw/zinc/17/20/53/559172053.db2.gz YHALBMHVANLCTA-QHCPKHFHSA-N 0 0 406.913 5.918 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2Cl)n1 ZINC000023333622 559172049 /nfs/dbraw/zinc/17/20/49/559172049.db2.gz YXMAHJGIMHNEAW-UHFFFAOYSA-N 0 0 422.743 6.382 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3cc(Cl)ccc3Cl)cs2)cc1 ZINC000023333732 559172130 /nfs/dbraw/zinc/17/21/30/559172130.db2.gz JTIMHFORIQFZGQ-UHFFFAOYSA-N 0 0 420.308 7.428 50 0 HKAARN CCCCCCOc1ccccc1-c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000023333740 559172137 /nfs/dbraw/zinc/17/21/37/559172137.db2.gz VXZKJQFGCILMJD-UHFFFAOYSA-N 0 0 412.533 6.071 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023333751 559172000 /nfs/dbraw/zinc/17/20/00/559172000.db2.gz YOMKHUVWRALBRK-OAQYLSRUSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023333753 559172009 /nfs/dbraw/zinc/17/20/09/559172009.db2.gz YOMKHUVWRALBRK-NRFANRHFSA-N 0 0 400.280 5.920 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1C)CC2 ZINC000023333917 559172121 /nfs/dbraw/zinc/17/21/21/559172121.db2.gz UUXYEQZXXAQQBY-DEOSSOPVSA-N 0 0 402.494 5.192 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1C)CC2 ZINC000023333919 559172148 /nfs/dbraw/zinc/17/21/48/559172148.db2.gz UUXYEQZXXAQQBY-XMMPIXPASA-N 0 0 402.494 5.192 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023333999 559172109 /nfs/dbraw/zinc/17/21/09/559172109.db2.gz VPNOYKLKBATVOM-QFIPXVFZSA-N 0 0 406.869 5.248 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023334001 559172110 /nfs/dbraw/zinc/17/21/10/559172110.db2.gz VPNOYKLKBATVOM-JOCHJYFZSA-N 0 0 406.869 5.248 50 0 HKAARN C[C@@H](NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1)C(C)(C)C ZINC000023334023 559172114 /nfs/dbraw/zinc/17/21/14/559172114.db2.gz UGGALVVWZNSQFO-OAHLLOKOSA-N 0 0 415.459 5.723 50 0 HKAARN C[C@H](NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1)C(C)(C)C ZINC000023334025 559172263 /nfs/dbraw/zinc/17/22/63/559172263.db2.gz UGGALVVWZNSQFO-HNNXBMFYSA-N 0 0 415.459 5.723 50 0 HKAARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cc(Cl)ccc2Cl)cc1C ZINC000023334027 559172222 /nfs/dbraw/zinc/17/22/22/559172222.db2.gz QIWXUXXGTYLOPV-UHFFFAOYSA-N 0 0 416.352 6.346 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3cccc(Cl)c3Cl)cs2)cc1 ZINC000023334029 559172248 /nfs/dbraw/zinc/17/22/48/559172248.db2.gz OPWXLDKELSHCIO-UHFFFAOYSA-N 0 0 420.308 7.428 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000023334031 559172241 /nfs/dbraw/zinc/17/22/41/559172241.db2.gz IRTFVZXPKDURAY-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)c1 ZINC000023334033 559172243 /nfs/dbraw/zinc/17/22/43/559172243.db2.gz IRTFVZXPKDURAY-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN COc1ccc(-c2nc(CSc3c(Cl)cccc3Cl)cs2)cc1OC ZINC000023334067 559172262 /nfs/dbraw/zinc/17/22/62/559172262.db2.gz VIJXPKOVRDZRSH-UHFFFAOYSA-N 0 0 412.363 6.426 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc(F)ccc1F ZINC000023334099 559172255 /nfs/dbraw/zinc/17/22/55/559172255.db2.gz GEHWLBDEOXLOCL-UHFFFAOYSA-N 0 0 401.434 5.046 50 0 HKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1ccc(F)cc1 ZINC000023334108 559172236 /nfs/dbraw/zinc/17/22/36/559172236.db2.gz VEODTPVQSXMXGU-UHFFFAOYSA-N 0 0 419.378 5.090 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2ccccc2C)n1 ZINC000023334225 559172260 /nfs/dbraw/zinc/17/22/60/559172260.db2.gz VOLIXZBLESMREP-UHFFFAOYSA-N 0 0 405.498 5.009 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)[C@@H]1C ZINC000023334282 559172250 /nfs/dbraw/zinc/17/22/50/559172250.db2.gz CGZDFCXUKIMDFU-JXXFODFXSA-N 0 0 402.494 5.185 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)[C@@H]1C ZINC000023334286 559172234 /nfs/dbraw/zinc/17/22/34/559172234.db2.gz CGZDFCXUKIMDFU-QINHECLXSA-N 0 0 402.494 5.185 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023334416 559172577 /nfs/dbraw/zinc/17/25/77/559172577.db2.gz LWANNFUSFUMNCS-OAQYLSRUSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023334418 559172576 /nfs/dbraw/zinc/17/25/76/559172576.db2.gz LWANNFUSFUMNCS-NRFANRHFSA-N 0 0 400.280 5.920 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2sc3cc(OC)c(OC)cc3c2Cl)c1 ZINC000023334422 559172579 /nfs/dbraw/zinc/17/25/79/559172579.db2.gz WGDRZIDCHIMGER-LLVKDONJSA-N 0 0 405.903 5.072 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2sc3cc(OC)c(OC)cc3c2Cl)c1 ZINC000023334424 559172585 /nfs/dbraw/zinc/17/25/85/559172585.db2.gz WGDRZIDCHIMGER-NSHDSACASA-N 0 0 405.903 5.072 50 0 HKAARN CCCCN(CC)C(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023334443 559172630 /nfs/dbraw/zinc/17/26/30/559172630.db2.gz GPFIKPBLHOLRJS-UHFFFAOYSA-N 0 0 415.459 5.820 50 0 HKAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1cccc(F)c1 ZINC000023334586 559172719 /nfs/dbraw/zinc/17/27/19/559172719.db2.gz XTPMMRWMRKIBMG-UHFFFAOYSA-N 0 0 419.378 5.090 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000023334640 559172744 /nfs/dbraw/zinc/17/27/44/559172744.db2.gz ACTKBDQGVGWEMX-QHCPKHFHSA-N 0 0 418.468 5.182 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000023334641 559172732 /nfs/dbraw/zinc/17/27/32/559172732.db2.gz ACTKBDQGVGWEMX-HSZRJFAPSA-N 0 0 418.468 5.182 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023334652 559172722 /nfs/dbraw/zinc/17/27/22/559172722.db2.gz QROMCZCMNAQIOV-HSZRJFAPSA-N 0 0 406.913 5.837 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023334653 559172740 /nfs/dbraw/zinc/17/27/40/559172740.db2.gz QROMCZCMNAQIOV-QHCPKHFHSA-N 0 0 406.913 5.837 50 0 HKAARN Cc1c(C(=O)N2CCCCCCC2)cnc2c(-c3cccc(C(F)(F)F)c3)cnn21 ZINC000023334668 559172754 /nfs/dbraw/zinc/17/27/54/559172754.db2.gz KPDQQTRHPDMOPQ-UHFFFAOYSA-N 0 0 416.447 5.130 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3c(Cl)cccc3Cl)cs2)cc1 ZINC000023334673 559172716 /nfs/dbraw/zinc/17/27/16/559172716.db2.gz JDATYGYGKSRPHE-UHFFFAOYSA-N 0 0 420.308 7.428 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023334710 559172724 /nfs/dbraw/zinc/17/27/24/559172724.db2.gz JNOAISFKIWKIGM-UHFFFAOYSA-N 0 0 422.743 6.382 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000023334769 559172696 /nfs/dbraw/zinc/17/26/96/559172696.db2.gz CFIVZTZFKSVIEP-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccc(F)c1)CC2 ZINC000023334770 559172752 /nfs/dbraw/zinc/17/27/52/559172752.db2.gz CFIVZTZFKSVIEP-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023334775 559172704 /nfs/dbraw/zinc/17/27/04/559172704.db2.gz BWWKVYKBKAGJRZ-UHFFFAOYSA-N 0 0 419.424 5.135 50 0 HKAARN CCOC(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c(NC(=O)CC2CCCC2)c1 ZINC000023334810 559172787 /nfs/dbraw/zinc/17/27/87/559172787.db2.gz SITNUQPNTWPUKX-UHFFFAOYSA-N 0 0 419.525 5.338 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)Nc1ccccc1)CC2 ZINC000023334877 559172814 /nfs/dbraw/zinc/17/28/14/559172814.db2.gz DZOODSSJDWJZBR-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)Nc1ccccc1)CC2 ZINC000023334878 559172792 /nfs/dbraw/zinc/17/27/92/559172792.db2.gz DZOODSSJDWJZBR-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN COc1ccc(-c2nc(CSc3cc(C(C)(C)C)ccc3C)cs2)cc1OC ZINC000023334918 559172782 /nfs/dbraw/zinc/17/27/82/559172782.db2.gz KVHCNACUYBKFBX-UHFFFAOYSA-N 0 0 413.608 6.726 50 0 HKAARN COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000023334968 571315428 /nfs/dbraw/zinc/31/54/28/571315428.db2.gz VKNFRSMVBARJCX-UHFFFAOYSA-N 0 0 417.431 5.450 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(CC)cc1 ZINC000023335022 559172794 /nfs/dbraw/zinc/17/27/94/559172794.db2.gz RDPNXBDYAAEMSQ-INIZCTEOSA-N 0 0 407.535 5.891 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(CC)cc1 ZINC000023335023 559172805 /nfs/dbraw/zinc/17/28/05/559172805.db2.gz RDPNXBDYAAEMSQ-MRXNPFEDSA-N 0 0 407.535 5.891 50 0 HKAARN COc1cc(C(=O)Nc2cc(-c3onc4c3CCCC4)ccc2Cl)cc(Cl)n1 ZINC000023335033 559172804 /nfs/dbraw/zinc/17/28/04/559172804.db2.gz YATPWPRTVUTGGF-UHFFFAOYSA-N 0 0 418.280 5.183 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1F)CC2 ZINC000023335058 559172818 /nfs/dbraw/zinc/17/28/18/559172818.db2.gz QQFCYDPWKNWMBE-QHCPKHFHSA-N 0 0 406.457 5.023 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1F)CC2 ZINC000023335059 559172801 /nfs/dbraw/zinc/17/28/01/559172801.db2.gz QQFCYDPWKNWMBE-HSZRJFAPSA-N 0 0 406.457 5.023 50 0 HKAARN CSc1nsc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC000023335060 559172796 /nfs/dbraw/zinc/17/27/96/559172796.db2.gz HLZYPPPBELGEAI-UHFFFAOYSA-N 0 0 405.517 5.695 50 0 HKAARN Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000023335092 559172778 /nfs/dbraw/zinc/17/27/78/559172778.db2.gz LWTNIASDQKRMNH-UHFFFAOYSA-N 0 0 419.322 5.491 50 0 HKAARN COc1ccc2c(c1)-c1sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc1CC2 ZINC000023335123 559172807 /nfs/dbraw/zinc/17/28/07/559172807.db2.gz SORUYAPKUOFYBC-UHFFFAOYSA-N 0 0 417.574 5.617 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000023335125 559172917 /nfs/dbraw/zinc/17/29/17/559172917.db2.gz NHUKHCXFBNQULH-UHFFFAOYSA-N 0 0 421.850 6.094 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2sc3c(ccc(Cl)c3Cl)c2Cl)c1 ZINC000023335154 559172931 /nfs/dbraw/zinc/17/29/31/559172931.db2.gz WGSNYQNJOPHRKK-SECBINFHSA-N 0 0 414.741 6.361 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2sc3c(ccc(Cl)c3Cl)c2Cl)c1 ZINC000023335155 559172902 /nfs/dbraw/zinc/17/29/02/559172902.db2.gz WGSNYQNJOPHRKK-VIFPVBQESA-N 0 0 414.741 6.361 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccccc1OCC ZINC000023335184 559172922 /nfs/dbraw/zinc/17/29/22/559172922.db2.gz TUDHUUQHQCYOLM-UHFFFAOYSA-N 0 0 409.507 5.167 50 0 HKAARN COc1cc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)cc(OC)c1 ZINC000023335197 559172924 /nfs/dbraw/zinc/17/29/24/559172924.db2.gz VLSKRCDBWYBDHE-UHFFFAOYSA-N 0 0 421.440 5.381 50 0 HKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000023335210 559172910 /nfs/dbraw/zinc/17/29/10/559172910.db2.gz JZHGTFLCHIKQLB-VWLOTQADSA-N 0 0 401.506 5.054 50 0 HKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000023335211 559172881 /nfs/dbraw/zinc/17/28/81/559172881.db2.gz JZHGTFLCHIKQLB-RUZDIDTESA-N 0 0 401.506 5.054 50 0 HKAARN Cc1ccc(C(C)(C)C)cc1SCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000023335275 559172919 /nfs/dbraw/zinc/17/29/19/559172919.db2.gz XWZANTWBBSJRIT-UHFFFAOYSA-N 0 0 421.553 7.727 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)c(OC)c1 ZINC000023335298 559172893 /nfs/dbraw/zinc/17/28/93/559172893.db2.gz LBNOZAJDGZWPNN-UHFFFAOYSA-N 0 0 421.440 5.381 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)/C=C/c1ccccc1)CC2 ZINC000023335310 559172907 /nfs/dbraw/zinc/17/29/07/559172907.db2.gz FQGPSQIAMJTRBF-FQKQOIFNSA-N 0 0 417.480 5.030 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)/C=C/c1ccccc1)CC2 ZINC000023335311 559172884 /nfs/dbraw/zinc/17/28/84/559172884.db2.gz FQGPSQIAMJTRBF-PVBLUSGHSA-N 0 0 417.480 5.030 50 0 HKAARN COc1cc(C)c(-c2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1C ZINC000023335315 559172940 /nfs/dbraw/zinc/17/29/40/559172940.db2.gz ZDIPVLPDMXMRDD-UHFFFAOYSA-N 0 0 404.897 5.391 50 0 HKAARN COc1ccc2sc(C(=O)NCc3cccc(C(F)(F)F)c3F)c(Cl)c2c1 ZINC000023335367 559172934 /nfs/dbraw/zinc/17/29/34/559172934.db2.gz QOCCPYQLQDKLHU-UHFFFAOYSA-N 0 0 417.811 5.651 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000023335383 559172936 /nfs/dbraw/zinc/17/29/36/559172936.db2.gz SLQZVMULQZHGGU-DLBZAZTESA-N 0 0 423.534 5.483 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000023335384 559172905 /nfs/dbraw/zinc/17/29/05/559172905.db2.gz SLQZVMULQZHGGU-IAGOWNOFSA-N 0 0 423.534 5.483 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000023335385 559172891 /nfs/dbraw/zinc/17/28/91/559172891.db2.gz SLQZVMULQZHGGU-IRXDYDNUSA-N 0 0 423.534 5.483 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000023335386 559172899 /nfs/dbraw/zinc/17/28/99/559172899.db2.gz SLQZVMULQZHGGU-SJORKVTESA-N 0 0 423.534 5.483 50 0 HKAARN COc1cc2nc(-c3ccc(C)o3)cc(C(=O)N3CCCCCCC3)c2cc1OC ZINC000023335396 559172896 /nfs/dbraw/zinc/17/28/96/559172896.db2.gz OTUFFQNCEGTUNU-UHFFFAOYSA-N 0 0 408.498 5.227 50 0 HKAARN CC(C)CNC(=O)CCc1cc2c(n1-c1ccc(C(C)C)cc1)-c1ccccc1OC2 ZINC000023335461 559172926 /nfs/dbraw/zinc/17/29/26/559172926.db2.gz NEGSMQPAUXKMHE-UHFFFAOYSA-N 0 0 416.565 5.865 50 0 HKAARN Fc1cc(F)c(F)c(SCc2csc(Cc3ccc4c(c3)OCO4)n2)c1F ZINC000023335486 559172997 /nfs/dbraw/zinc/17/29/97/559172997.db2.gz RETDUGDAQHYPQV-UHFFFAOYSA-N 0 0 413.417 5.311 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000023335509 559172228 /nfs/dbraw/zinc/17/22/28/559172228.db2.gz JHRZPXRDIYXFCK-DEOSSOPVSA-N 0 0 414.505 5.351 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000023335510 559172216 /nfs/dbraw/zinc/17/22/16/559172216.db2.gz JHRZPXRDIYXFCK-XMMPIXPASA-N 0 0 414.505 5.351 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023335519 559172267 /nfs/dbraw/zinc/17/22/67/559172267.db2.gz GYXQFKDKAZJISA-NRFANRHFSA-N 0 0 416.735 6.435 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023335520 559172220 /nfs/dbraw/zinc/17/22/20/559172220.db2.gz GYXQFKDKAZJISA-OAQYLSRUSA-N 0 0 416.735 6.435 50 0 HKAARN Fc1ccc(Cc2nc(CSc3c(F)c(F)cc(F)c3F)cs2)c(Cl)c1 ZINC000023335536 559172229 /nfs/dbraw/zinc/17/22/29/559172229.db2.gz ZIKYRATZRJYGCK-UHFFFAOYSA-N 0 0 421.843 6.375 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n(-c2cccc(F)c2)n1 ZINC000023335542 559172238 /nfs/dbraw/zinc/17/22/38/559172238.db2.gz NSBJCTISRJPBSI-UHFFFAOYSA-N 0 0 423.385 5.719 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 ZINC000023335571 559172352 /nfs/dbraw/zinc/17/23/52/559172352.db2.gz ZOXVALDHKSGPNW-HNNXBMFYSA-N 0 0 409.507 5.338 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 ZINC000023335572 559172321 /nfs/dbraw/zinc/17/23/21/559172321.db2.gz ZOXVALDHKSGPNW-OAHLLOKOSA-N 0 0 409.507 5.338 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2cccc(C)c2)n1 ZINC000023335588 559172360 /nfs/dbraw/zinc/17/23/60/559172360.db2.gz SPQVOJRRHWACLV-UHFFFAOYSA-N 0 0 419.525 5.399 50 0 HKAARN O=C(Nc1cccc(OC(F)(F)C(F)F)c1)c1sc2cc(F)ccc2c1Cl ZINC000023335634 559172336 /nfs/dbraw/zinc/17/23/36/559172336.db2.gz CLVXMFZXINUODD-UHFFFAOYSA-N 0 0 421.774 6.183 50 0 HKAARN O=C(c1c(F)cccc1Cl)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023335656 559172304 /nfs/dbraw/zinc/17/23/04/559172304.db2.gz OSEKRFWRDACZAB-OAQYLSRUSA-N 0 0 400.280 5.920 50 0 HKAARN O=C(c1c(F)cccc1Cl)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023335657 559172363 /nfs/dbraw/zinc/17/23/63/559172363.db2.gz OSEKRFWRDACZAB-NRFANRHFSA-N 0 0 400.280 5.920 50 0 HKAARN COC(=O)c1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000023335660 559172299 /nfs/dbraw/zinc/17/22/99/559172299.db2.gz WRKHIEXXSNDAIF-QFIPXVFZSA-N 0 0 420.896 5.306 50 0 HKAARN COC(=O)c1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023335661 559172322 /nfs/dbraw/zinc/17/23/22/559172322.db2.gz WRKHIEXXSNDAIF-JOCHJYFZSA-N 0 0 420.896 5.306 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000023335686 559172361 /nfs/dbraw/zinc/17/23/61/559172361.db2.gz JBEHVDICRKRQGW-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023335687 559172324 /nfs/dbraw/zinc/17/23/24/559172324.db2.gz JBEHVDICRKRQGW-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000023335745 559172353 /nfs/dbraw/zinc/17/23/53/559172353.db2.gz ZWKJWGDVYODKRI-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000023335746 559172307 /nfs/dbraw/zinc/17/23/07/559172307.db2.gz ZWKJWGDVYODKRI-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN O=c1[nH]c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc2ccccc12 ZINC000023335766 559172355 /nfs/dbraw/zinc/17/23/55/559172355.db2.gz SZQHNFLCGCMWAG-UHFFFAOYSA-N 0 0 419.453 5.770 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000023335820 559172344 /nfs/dbraw/zinc/17/23/44/559172344.db2.gz REAMBDATKKZREB-UHFFFAOYSA-N 0 0 423.385 5.719 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023335850 559172356 /nfs/dbraw/zinc/17/23/56/559172356.db2.gz LPAUJRWXXNCXNB-UHFFFAOYSA-N 0 0 424.278 6.007 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023335863 559172328 /nfs/dbraw/zinc/17/23/28/559172328.db2.gz PRIILDHQMKLYKY-NRFANRHFSA-N 0 0 416.735 6.435 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023335864 559172349 /nfs/dbraw/zinc/17/23/49/559172349.db2.gz PRIILDHQMKLYKY-OAQYLSRUSA-N 0 0 416.735 6.435 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000023335875 559172392 /nfs/dbraw/zinc/17/23/92/559172392.db2.gz XIRHEIWMONRKFP-CRAIPNDOSA-N 0 0 406.595 6.525 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000023335876 559172407 /nfs/dbraw/zinc/17/24/07/559172407.db2.gz XIRHEIWMONRKFP-MAUKXSAKSA-N 0 0 406.595 6.525 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000023335877 559172408 /nfs/dbraw/zinc/17/24/08/559172408.db2.gz XIRHEIWMONRKFP-QAPCUYQASA-N 0 0 406.595 6.525 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000023335878 559172427 /nfs/dbraw/zinc/17/24/27/559172427.db2.gz XIRHEIWMONRKFP-YJBOKZPZSA-N 0 0 406.595 6.525 50 0 HKAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(F)cc2)c1 ZINC000023335918 558549660 /nfs/dbraw/zinc/54/96/60/558549660.db2.gz JYRKBSDYDHMRNU-MRXNPFEDSA-N 0 0 423.488 5.230 50 0 HKAARN CCC[C@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(F)cc2)c1 ZINC000023335919 558549758 /nfs/dbraw/zinc/54/97/58/558549758.db2.gz JYRKBSDYDHMRNU-INIZCTEOSA-N 0 0 423.488 5.230 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023335928 559172419 /nfs/dbraw/zinc/17/24/19/559172419.db2.gz WFBJUDNBGZZMPG-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000023335929 559172405 /nfs/dbraw/zinc/17/24/05/559172405.db2.gz WFBJUDNBGZZMPG-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2cccc(F)c2)n1 ZINC000023335979 559172380 /nfs/dbraw/zinc/17/23/80/559172380.db2.gz AHTRDVBRHUUESL-UHFFFAOYSA-N 0 0 423.385 5.719 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2ccccc2C)n1 ZINC000023336001 559172390 /nfs/dbraw/zinc/17/23/90/559172390.db2.gz POGFBOBFUAUFFY-UHFFFAOYSA-N 0 0 419.525 5.399 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1cccc(OC)c1 ZINC000023336005 559172410 /nfs/dbraw/zinc/17/24/10/559172410.db2.gz UJZBNJUFADPYLC-HNNXBMFYSA-N 0 0 409.507 5.338 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1cccc(OC)c1 ZINC000023336006 559172374 /nfs/dbraw/zinc/17/23/74/559172374.db2.gz UJZBNJUFADPYLC-OAHLLOKOSA-N 0 0 409.507 5.338 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000023336036 559172384 /nfs/dbraw/zinc/17/23/84/559172384.db2.gz YNNDTYORHQAKRQ-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000023336037 559172382 /nfs/dbraw/zinc/17/23/82/559172382.db2.gz YNNDTYORHQAKRQ-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)CC)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000023336078 559172399 /nfs/dbraw/zinc/17/23/99/559172399.db2.gz CFFKAKNRPANWJG-KRWDZBQOSA-N 0 0 422.500 5.504 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H](C)CC)c(-c2cccc(F)c2)cn1Cc1ccccc1 ZINC000023336079 559172437 /nfs/dbraw/zinc/17/24/37/559172437.db2.gz CFFKAKNRPANWJG-QGZVFWFLSA-N 0 0 422.500 5.504 50 0 HKAARN O=C(NCCSCc1ccccc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023336088 559172375 /nfs/dbraw/zinc/17/23/75/559172375.db2.gz PHEBOHLXHWKDDH-UHFFFAOYSA-N 0 0 413.546 5.407 50 0 HKAARN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023336103 559172401 /nfs/dbraw/zinc/17/24/01/559172401.db2.gz OYOKIEZLAQXHEY-UHFFFAOYSA-N 0 0 401.897 5.370 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000023336111 559172372 /nfs/dbraw/zinc/17/23/72/559172372.db2.gz CRXGABPQBPMHMX-UHFFFAOYSA-N 0 0 421.562 6.065 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(-c2cc(Cl)ccc2Cl)n1 ZINC000023336144 559172424 /nfs/dbraw/zinc/17/24/24/559172424.db2.gz STKXZHRDVAQQJG-UHFFFAOYSA-N 0 0 424.278 6.007 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000023336150 558549704 /nfs/dbraw/zinc/54/97/04/558549704.db2.gz RTMYIPLLIYWUGL-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000023336151 558549697 /nfs/dbraw/zinc/54/96/97/558549697.db2.gz RTMYIPLLIYWUGL-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3nccc(C(F)(F)F)n3)cs2)cc1 ZINC000023336165 559172395 /nfs/dbraw/zinc/17/23/95/559172395.db2.gz BFKPWKJZYFTYNY-UHFFFAOYSA-N 0 0 421.391 5.930 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccccc2Cl)n1 ZINC000023336170 559172414 /nfs/dbraw/zinc/17/24/14/559172414.db2.gz XKTJCDJCEWPOOW-UHFFFAOYSA-N 0 0 421.850 6.094 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2ccc(F)cc2)n1 ZINC000023336172 559172423 /nfs/dbraw/zinc/17/24/23/559172423.db2.gz OCUQMQULRZYJKR-UHFFFAOYSA-N 0 0 423.488 5.230 50 0 HKAARN CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000023336205 559172552 /nfs/dbraw/zinc/17/25/52/559172552.db2.gz HPSZCFILMKRWPL-UHFFFAOYSA-N 0 0 411.523 5.103 50 0 HKAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(F)c2)c1 ZINC000023336245 559172568 /nfs/dbraw/zinc/17/25/68/559172568.db2.gz VAAYFRGGTBBXGV-MRXNPFEDSA-N 0 0 423.488 5.230 50 0 HKAARN CCC[C@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(F)c2)c1 ZINC000023336246 559172530 /nfs/dbraw/zinc/17/25/30/559172530.db2.gz VAAYFRGGTBBXGV-INIZCTEOSA-N 0 0 423.488 5.230 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023336347 559172559 /nfs/dbraw/zinc/17/25/59/559172559.db2.gz IXKVEDKRGXWPKY-QHCPKHFHSA-N 0 0 418.468 5.182 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023336348 559172556 /nfs/dbraw/zinc/17/25/56/559172556.db2.gz IXKVEDKRGXWPKY-HSZRJFAPSA-N 0 0 418.468 5.182 50 0 HKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000023336425 559172573 /nfs/dbraw/zinc/17/25/73/559172573.db2.gz BISPRAIDCYZGQC-UHFFFAOYSA-N 0 0 407.535 5.819 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000023336435 559172540 /nfs/dbraw/zinc/17/25/40/559172540.db2.gz LHRDUWFGDBBWIL-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023336437 559172537 /nfs/dbraw/zinc/17/25/37/559172537.db2.gz LHRDUWFGDBBWIL-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(Cl)nc1 ZINC000023336450 559172523 /nfs/dbraw/zinc/17/25/23/559172523.db2.gz KMUTXFBFILWIKX-ZDUSSCGKSA-N 0 0 414.914 5.377 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(Cl)nc1 ZINC000023336451 559172572 /nfs/dbraw/zinc/17/25/72/559172572.db2.gz KMUTXFBFILWIKX-CYBMUJFWSA-N 0 0 414.914 5.377 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023336453 559172526 /nfs/dbraw/zinc/17/25/26/559172526.db2.gz BHRQBRUUCSELFO-IBGZPJMESA-N 0 0 419.546 5.379 50 0 HKAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023336454 559172543 /nfs/dbraw/zinc/17/25/43/559172543.db2.gz BHRQBRUUCSELFO-LJQANCHMSA-N 0 0 419.546 5.379 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2cccc(F)c2)n1 ZINC000023336523 559172570 /nfs/dbraw/zinc/17/25/70/559172570.db2.gz QPLGSBMYRSYBJC-UHFFFAOYSA-N 0 0 423.488 5.230 50 0 HKAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023336536 559172510 /nfs/dbraw/zinc/17/25/10/559172510.db2.gz ISBALFYMDLZNRQ-QFIPXVFZSA-N 0 0 420.896 5.306 50 0 HKAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023336537 559172513 /nfs/dbraw/zinc/17/25/13/559172513.db2.gz ISBALFYMDLZNRQ-JOCHJYFZSA-N 0 0 420.896 5.306 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OC ZINC000023336561 559172566 /nfs/dbraw/zinc/17/25/66/559172566.db2.gz GZLSIBDWTAMABE-HNNXBMFYSA-N 0 0 409.507 5.338 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OC ZINC000023336562 559172571 /nfs/dbraw/zinc/17/25/71/559172571.db2.gz GZLSIBDWTAMABE-OAHLLOKOSA-N 0 0 409.507 5.338 50 0 HKAARN CC(C)c1ccc(-n2c(CCC(=O)N3CCCC3)cc3c2-c2ccccc2OC3)cc1 ZINC000023336743 559172545 /nfs/dbraw/zinc/17/25/45/559172545.db2.gz VGHPGSJHKSXTFC-UHFFFAOYSA-N 0 0 414.549 5.715 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)CC2 ZINC000023336772 559172614 /nfs/dbraw/zinc/17/26/14/559172614.db2.gz ZGEJFYXOYSNTKN-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)CC2 ZINC000023336773 559172612 /nfs/dbraw/zinc/17/26/12/559172612.db2.gz ZGEJFYXOYSNTKN-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000023336814 559172619 /nfs/dbraw/zinc/17/26/19/559172619.db2.gz XQOCJNALTGVJCF-PXNSSMCTSA-N 0 0 421.562 6.209 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000023336815 559172617 /nfs/dbraw/zinc/17/26/17/559172617.db2.gz XQOCJNALTGVJCF-XLIONFOSSA-N 0 0 421.562 6.209 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@H](CC)c1ccccc1 ZINC000023336816 559172593 /nfs/dbraw/zinc/17/25/93/559172593.db2.gz XQOCJNALTGVJCF-FXAWDEMLSA-N 0 0 421.562 6.209 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H](CC)c1ccccc1 ZINC000023336817 559172589 /nfs/dbraw/zinc/17/25/89/559172589.db2.gz XQOCJNALTGVJCF-YLJYHZDGSA-N 0 0 421.562 6.209 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c1 ZINC000023336854 559172616 /nfs/dbraw/zinc/17/26/16/559172616.db2.gz GSBFCEUIGFGSHO-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c1 ZINC000023336855 559172574 /nfs/dbraw/zinc/17/25/74/559172574.db2.gz GSBFCEUIGFGSHO-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN Cc1c[nH]c(CN(C)Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)n1 ZINC000023338915 558550376 /nfs/dbraw/zinc/55/03/76/558550376.db2.gz RRDSOBWWAVVYPA-UHFFFAOYSA-N 0 0 409.534 5.020 50 0 HKAARN CC(C)c1csc(CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)n1 ZINC000023339992 558550619 /nfs/dbraw/zinc/55/06/19/558550619.db2.gz AGMSZBKHHZQYLW-UHFFFAOYSA-N 0 0 409.555 5.377 50 0 HKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)cc1 ZINC000023343332 558550857 /nfs/dbraw/zinc/55/08/57/558550857.db2.gz NTFKKNMXOJQWLB-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN CC1(C(=O)OCC(=O)c2ccc(Br)cc2)c2ccccc2-c2ccccc21 ZINC000023343440 558550846 /nfs/dbraw/zinc/55/08/46/558550846.db2.gz LHASLEKDRCWGBE-UHFFFAOYSA-N 0 0 421.290 5.162 50 0 HKAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000023362824 558552528 /nfs/dbraw/zinc/55/25/28/558552528.db2.gz OHFUQTDSBYBZEM-GOSISDBHSA-N 0 0 411.461 5.025 50 0 HKAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000023362827 558552556 /nfs/dbraw/zinc/55/25/56/558552556.db2.gz OHFUQTDSBYBZEM-SFHVURJKSA-N 0 0 411.461 5.025 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1Cl ZINC000023396106 558556687 /nfs/dbraw/zinc/55/66/87/558556687.db2.gz YITMLPLSRAXCQM-UHFFFAOYSA-N 0 0 411.285 5.729 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCSCc1cc(Cl)cc2c1OCOC2 ZINC000023414314 558557818 /nfs/dbraw/zinc/55/78/18/558557818.db2.gz WOOGACNYAHZSCK-UHFFFAOYSA-N 0 0 405.947 5.475 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc1OC ZINC000023424159 559173953 /nfs/dbraw/zinc/17/39/53/559173953.db2.gz RQFMZVGLSTWXBX-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc1OC ZINC000023424163 559173965 /nfs/dbraw/zinc/17/39/65/559173965.db2.gz RQFMZVGLSTWXBX-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023424675 559173989 /nfs/dbraw/zinc/17/39/89/559173989.db2.gz BVLPLMJPDCIBDI-OAQYLSRUSA-N 0 0 416.735 6.435 50 0 HKAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023424679 559173983 /nfs/dbraw/zinc/17/39/83/559173983.db2.gz BVLPLMJPDCIBDI-NRFANRHFSA-N 0 0 416.735 6.435 50 0 HKAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(CC)CC)c2)n(-c2ccccc2F)n1 ZINC000023424691 558558017 /nfs/dbraw/zinc/55/80/17/558558017.db2.gz NDQBIHMPRBHRPL-UHFFFAOYSA-N 0 0 423.488 5.230 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@@H]3c1cc(F)c(F)cc1F ZINC000023424953 559173962 /nfs/dbraw/zinc/17/39/62/559173962.db2.gz JUCCASFLYZIWKW-HSZRJFAPSA-N 0 0 414.427 5.034 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C=C(C)C)[C@H]3c1cc(F)c(F)cc1F ZINC000023424957 559173951 /nfs/dbraw/zinc/17/39/51/559173951.db2.gz JUCCASFLYZIWKW-QHCPKHFHSA-N 0 0 414.427 5.034 50 0 HKAARN CCC(CC)CNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023425232 559173959 /nfs/dbraw/zinc/17/39/59/559173959.db2.gz AKBDBOLDSZWNED-UHFFFAOYSA-N 0 0 422.525 5.094 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc(OC)c1 ZINC000023425371 559173999 /nfs/dbraw/zinc/17/39/99/559173999.db2.gz CQVWQBYBPZZUSR-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN COc1cc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc(OC)c1 ZINC000023425376 559173975 /nfs/dbraw/zinc/17/39/75/559173975.db2.gz CQVWQBYBPZZUSR-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c(OC)c1 ZINC000023425674 559173980 /nfs/dbraw/zinc/17/39/80/559173980.db2.gz SXPVDJSRLVIMHC-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c(OC)c1 ZINC000023425679 559173985 /nfs/dbraw/zinc/17/39/85/559173985.db2.gz SXPVDJSRLVIMHC-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000023425966 559173987 /nfs/dbraw/zinc/17/39/87/559173987.db2.gz QQDWQQKQILWIRZ-ZDUSSCGKSA-N 0 0 415.461 5.607 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000023425969 559174001 /nfs/dbraw/zinc/17/40/01/559174001.db2.gz QQDWQQKQILWIRZ-CYBMUJFWSA-N 0 0 415.461 5.607 50 0 HKAARN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023426335 559173968 /nfs/dbraw/zinc/17/39/68/559173968.db2.gz FGTYEUWTJNITOV-UHFFFAOYSA-N 0 0 415.924 5.760 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccccc1)CC2 ZINC000023426464 559173998 /nfs/dbraw/zinc/17/39/98/559173998.db2.gz LORCDEUFOLKXFU-QHCPKHFHSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccccc1)CC2 ZINC000023426468 559173981 /nfs/dbraw/zinc/17/39/81/559173981.db2.gz LORCDEUFOLKXFU-HSZRJFAPSA-N 0 0 407.897 5.145 50 0 HKAARN COc1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc(OC)c1 ZINC000023426572 558558286 /nfs/dbraw/zinc/55/82/86/558558286.db2.gz MRPHRMIUHRJZNT-UHFFFAOYSA-N 0 0 415.820 5.843 50 0 HKAARN COc1cc2c(cc1OC)[C@H](C(C)C)N(C(=O)c1c(C)onc1-c1ccccc1)CC2 ZINC000023426699 559173992 /nfs/dbraw/zinc/17/39/92/559173992.db2.gz ISSVIXZSYNLSDM-DEOSSOPVSA-N 0 0 420.509 5.063 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](C(C)C)N(C(=O)c1c(C)onc1-c1ccccc1)CC2 ZINC000023426703 559173957 /nfs/dbraw/zinc/17/39/57/559173957.db2.gz ISSVIXZSYNLSDM-XMMPIXPASA-N 0 0 420.509 5.063 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)Nc1ccccc1)CC2 ZINC000023426745 559174066 /nfs/dbraw/zinc/17/40/66/559174066.db2.gz KMOYOKGQNMJZCV-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)Nc1ccccc1)CC2 ZINC000023426749 559174131 /nfs/dbraw/zinc/17/41/31/559174131.db2.gz KMOYOKGQNMJZCV-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c1 ZINC000023426877 559174093 /nfs/dbraw/zinc/17/40/93/559174093.db2.gz PWYRORWLAPFSPD-HSZRJFAPSA-N 0 0 422.912 5.537 50 0 HKAARN COc1ccc(OC)c(NC(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c1 ZINC000023426881 559174124 /nfs/dbraw/zinc/17/41/24/559174124.db2.gz PWYRORWLAPFSPD-QHCPKHFHSA-N 0 0 422.912 5.537 50 0 HKAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023427262 558558287 /nfs/dbraw/zinc/55/82/87/558558287.db2.gz WMWKIANTNJUKJE-JOCHJYFZSA-N 0 0 420.896 5.306 50 0 HKAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023427266 558558259 /nfs/dbraw/zinc/55/82/59/558558259.db2.gz WMWKIANTNJUKJE-QFIPXVFZSA-N 0 0 420.896 5.306 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCc4ccccc4)cc3)n[nH]2)c1 ZINC000023427339 559174097 /nfs/dbraw/zinc/17/40/97/559174097.db2.gz VRHLITRLDXGSJO-UHFFFAOYSA-N 0 0 411.505 5.115 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)Cc1ccccc1)CC2 ZINC000023427508 559174109 /nfs/dbraw/zinc/17/41/09/559174109.db2.gz HQDOHWCTZBMMEM-VWLOTQADSA-N 0 0 421.924 5.074 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)Cc1ccccc1)CC2 ZINC000023427512 559174133 /nfs/dbraw/zinc/17/41/33/559174133.db2.gz HQDOHWCTZBMMEM-RUZDIDTESA-N 0 0 421.924 5.074 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023427621 559174113 /nfs/dbraw/zinc/17/41/13/559174113.db2.gz XYTBQZCTCHZLSO-NRFANRHFSA-N 0 0 415.842 6.147 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023427624 559174095 /nfs/dbraw/zinc/17/40/95/559174095.db2.gz XYTBQZCTCHZLSO-OAQYLSRUSA-N 0 0 415.842 6.147 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1cc(F)ccc1F ZINC000023428114 559174077 /nfs/dbraw/zinc/17/40/77/559174077.db2.gz JXDMIEOQQOVBAZ-ZDUSSCGKSA-N 0 0 415.461 5.607 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1cc(F)ccc1F ZINC000023428118 559174091 /nfs/dbraw/zinc/17/40/91/559174091.db2.gz JXDMIEOQQOVBAZ-CYBMUJFWSA-N 0 0 415.461 5.607 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000023428894 559174296 /nfs/dbraw/zinc/17/42/96/559174296.db2.gz WQWPBDJFJAPPHO-QHCPKHFHSA-N 0 0 424.447 5.162 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000023428899 559174314 /nfs/dbraw/zinc/17/43/14/559174314.db2.gz WQWPBDJFJAPPHO-HSZRJFAPSA-N 0 0 424.447 5.162 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)c1 ZINC000023428942 559174325 /nfs/dbraw/zinc/17/43/25/559174325.db2.gz OPAZMODXZJMYRS-UHFFFAOYSA-N 0 0 401.897 5.636 50 0 HKAARN O=C(NCCOc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023428973 559174275 /nfs/dbraw/zinc/17/42/75/559174275.db2.gz ZPQJVQJPOCYMHY-UHFFFAOYSA-N 0 0 417.896 5.206 50 0 HKAARN Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(Cc4cccc(C)n4)n3)c2)o1 ZINC000023430198 558558214 /nfs/dbraw/zinc/55/82/14/558558214.db2.gz YPFHPTFWBOYQNM-UHFFFAOYSA-N 0 0 407.477 5.327 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000023431155 559174369 /nfs/dbraw/zinc/17/43/69/559174369.db2.gz VPXFDROMRWWMMZ-QHCPKHFHSA-N 0 0 424.447 5.162 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000023431157 559174362 /nfs/dbraw/zinc/17/43/62/559174362.db2.gz VPXFDROMRWWMMZ-HSZRJFAPSA-N 0 0 424.447 5.162 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1)c1ccccc1 ZINC000023431353 559174354 /nfs/dbraw/zinc/17/43/54/559174354.db2.gz LRBPPPSIIHPDDK-MRXNPFEDSA-N 0 0 401.897 5.888 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1)c1ccccc1 ZINC000023431357 559174385 /nfs/dbraw/zinc/17/43/85/559174385.db2.gz LRBPPPSIIHPDDK-INIZCTEOSA-N 0 0 401.897 5.888 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1Cc1ccccc1-2 ZINC000023431749 559174393 /nfs/dbraw/zinc/17/43/93/559174393.db2.gz HBDCIVILTJKAFR-KRWDZBQOSA-N 0 0 405.519 5.628 50 0 HKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1Cc1ccccc1-2 ZINC000023431753 559174410 /nfs/dbraw/zinc/17/44/10/559174410.db2.gz HBDCIVILTJKAFR-QGZVFWFLSA-N 0 0 405.519 5.628 50 0 HKAARN Cc1cccc(Cl)c1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023431911 559174388 /nfs/dbraw/zinc/17/43/88/559174388.db2.gz PBWFQVTUTLYGGR-UHFFFAOYSA-N 0 0 401.897 5.636 50 0 HKAARN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cc(-c2ccc3ccccc3c2)on1 ZINC000023431924 559174381 /nfs/dbraw/zinc/17/43/81/559174381.db2.gz AVHZZPRGSUEVJE-UPVQGACJSA-N 0 0 412.489 5.363 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023432077 559174412 /nfs/dbraw/zinc/17/44/12/559174412.db2.gz BTIHPERWJJSFKU-UHFFFAOYSA-N 0 0 401.897 5.669 50 0 HKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000023432228 559174398 /nfs/dbraw/zinc/17/43/98/559174398.db2.gz ZDIQCLPEXPRKGO-VWLOTQADSA-N 0 0 419.496 5.193 50 0 HKAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000023432231 559174396 /nfs/dbraw/zinc/17/43/96/559174396.db2.gz ZDIQCLPEXPRKGO-RUZDIDTESA-N 0 0 419.496 5.193 50 0 HKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OCC ZINC000023432331 559174379 /nfs/dbraw/zinc/17/43/79/559174379.db2.gz ICZHYQUOMYDYRE-INIZCTEOSA-N 0 0 423.534 5.728 50 0 HKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1OCC ZINC000023432334 559174364 /nfs/dbraw/zinc/17/43/64/559174364.db2.gz ICZHYQUOMYDYRE-MRXNPFEDSA-N 0 0 423.534 5.728 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023432576 559174391 /nfs/dbraw/zinc/17/43/91/559174391.db2.gz IHGKXHMZCKQIEO-OAQYLSRUSA-N 0 0 415.842 6.147 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023432579 559174360 /nfs/dbraw/zinc/17/43/60/559174360.db2.gz IHGKXHMZCKQIEO-NRFANRHFSA-N 0 0 415.842 6.147 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023433709 559174383 /nfs/dbraw/zinc/17/43/83/559174383.db2.gz RDGOWHSFVVNUBS-DEOSSOPVSA-N 0 0 421.924 5.454 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023433712 559174366 /nfs/dbraw/zinc/17/43/66/559174366.db2.gz RDGOWHSFVVNUBS-XMMPIXPASA-N 0 0 421.924 5.454 50 0 HKAARN CC[C@@H](C(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1ccccc1 ZINC000023433799 559174373 /nfs/dbraw/zinc/17/43/73/559174373.db2.gz GVVVTVPTYVPGSF-HSZRJFAPSA-N 0 0 413.496 5.693 50 0 HKAARN CC[C@H](C(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1ccccc1 ZINC000023433802 559174524 /nfs/dbraw/zinc/17/45/24/559174524.db2.gz GVVVTVPTYVPGSF-QHCPKHFHSA-N 0 0 413.496 5.693 50 0 HKAARN CSCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023433805 559174514 /nfs/dbraw/zinc/17/45/14/559174514.db2.gz MNHQPLNQPUEYCH-UHFFFAOYSA-N 0 0 401.535 5.380 50 0 HKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cc(OC)cc(OC)c2)cc1 ZINC000023434096 559174516 /nfs/dbraw/zinc/17/45/16/559174516.db2.gz RKMRPTVANRDSIF-QGZVFWFLSA-N 0 0 414.505 5.583 50 0 HKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cc(OC)cc(OC)c2)cc1 ZINC000023434098 559174538 /nfs/dbraw/zinc/17/45/38/559174538.db2.gz RKMRPTVANRDSIF-KRWDZBQOSA-N 0 0 414.505 5.583 50 0 HKAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023434256 559174512 /nfs/dbraw/zinc/17/45/12/559174512.db2.gz YJSMWXZQXHPKJF-UHFFFAOYSA-N 0 0 419.887 5.509 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023434302 559174510 /nfs/dbraw/zinc/17/45/10/559174510.db2.gz ZOIHSMVVJRABIT-INIZCTEOSA-N 0 0 423.509 5.589 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023434305 559174531 /nfs/dbraw/zinc/17/45/31/559174531.db2.gz ZOIHSMVVJRABIT-MRXNPFEDSA-N 0 0 423.509 5.589 50 0 HKAARN CCSCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023434633 559174527 /nfs/dbraw/zinc/17/45/27/559174527.db2.gz QCIMEOVWUQCKHF-UHFFFAOYSA-N 0 0 401.535 5.380 50 0 HKAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1ccc(F)c(F)c1 ZINC000023435026 559174520 /nfs/dbraw/zinc/17/45/20/559174520.db2.gz JHFSMVMNIYZDTK-UHFFFAOYSA-N 0 0 407.395 5.091 50 0 HKAARN O=C(c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000023435594 559174152 /nfs/dbraw/zinc/17/41/52/559174152.db2.gz QQGLYMLXAAQBAM-UHFFFAOYSA-N 0 0 421.544 5.839 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1C)CC2 ZINC000023435661 559174191 /nfs/dbraw/zinc/17/41/91/559174191.db2.gz WAKXEEYPHVXUJG-DEOSSOPVSA-N 0 0 421.924 5.454 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1C)CC2 ZINC000023435665 559174155 /nfs/dbraw/zinc/17/41/55/559174155.db2.gz WAKXEEYPHVXUJG-XMMPIXPASA-N 0 0 421.924 5.454 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](c1ccccc1)C2 ZINC000023435671 559174158 /nfs/dbraw/zinc/17/41/58/559174158.db2.gz AGVODQAHCXUAKZ-INIZCTEOSA-N 0 0 423.509 5.589 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000023435675 559174174 /nfs/dbraw/zinc/17/41/74/559174174.db2.gz AGVODQAHCXUAKZ-MRXNPFEDSA-N 0 0 423.509 5.589 50 0 HKAARN O=C(NCc1ccco1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023436065 559174205 /nfs/dbraw/zinc/17/42/05/559174205.db2.gz ZUUZLFWKTRBNJG-UHFFFAOYSA-N 0 0 412.276 5.574 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023436199 559174193 /nfs/dbraw/zinc/17/41/93/559174193.db2.gz CYHSFTQBTYNOMG-DEOSSOPVSA-N 0 0 421.924 5.454 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023436202 559174181 /nfs/dbraw/zinc/17/41/81/559174181.db2.gz CYHSFTQBTYNOMG-XMMPIXPASA-N 0 0 421.924 5.454 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000023436293 559174163 /nfs/dbraw/zinc/17/41/63/559174163.db2.gz ATJHIUQSQDPYJQ-UHFFFAOYSA-N 0 0 419.424 5.863 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000023436701 559174164 /nfs/dbraw/zinc/17/41/64/559174164.db2.gz VQUGWNGZGWMRJY-UHFFFAOYSA-N 0 0 401.897 5.431 50 0 HKAARN CN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023436948 559174148 /nfs/dbraw/zinc/17/41/48/559174148.db2.gz WAUGAKQFYLAQBF-UHFFFAOYSA-N 0 0 416.912 5.107 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)c1cccs1)CC2 ZINC000023437294 559174203 /nfs/dbraw/zinc/17/42/03/559174203.db2.gz WHXQFTSFQVRRDZ-NRFANRHFSA-N 0 0 413.926 5.207 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)c1cccs1)CC2 ZINC000023437297 559174201 /nfs/dbraw/zinc/17/42/01/559174201.db2.gz WHXQFTSFQVRRDZ-OAQYLSRUSA-N 0 0 413.926 5.207 50 0 HKAARN CCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023437325 559174168 /nfs/dbraw/zinc/17/41/68/559174168.db2.gz JEONEPCPRMTHAF-UHFFFAOYSA-N 0 0 413.521 5.443 50 0 HKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(OC(C)=O)c1C ZINC000023437726 559174161 /nfs/dbraw/zinc/17/41/61/559174161.db2.gz VCVLUIDEGMWTNZ-UHFFFAOYSA-N 0 0 423.490 5.078 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)cc1 ZINC000023437838 559174184 /nfs/dbraw/zinc/17/41/84/559174184.db2.gz FLXVXGSYANZFQU-UHFFFAOYSA-N 0 0 417.896 5.336 50 0 HKAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cccc(C)c4C)cc3)n2)cc1 ZINC000023437890 559174189 /nfs/dbraw/zinc/17/41/89/559174189.db2.gz WIXVDXRYRMTCBY-UHFFFAOYSA-N 0 0 411.505 5.299 50 0 HKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)Cc3ccccc3)nc2c1 ZINC000023437911 559174179 /nfs/dbraw/zinc/17/41/79/559174179.db2.gz YOBKTIUFTZAZIP-UHFFFAOYSA-N 0 0 404.897 5.561 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1ccccc1C)CC2 ZINC000023437915 559174172 /nfs/dbraw/zinc/17/41/72/559174172.db2.gz CBTRMPYEFSLDHH-DEOSSOPVSA-N 0 0 421.924 5.454 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1ccccc1C)CC2 ZINC000023437918 559174160 /nfs/dbraw/zinc/17/41/60/559174160.db2.gz CBTRMPYEFSLDHH-XMMPIXPASA-N 0 0 421.924 5.454 50 0 HKAARN CC(C)OCCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023438060 559174195 /nfs/dbraw/zinc/17/41/95/559174195.db2.gz UFYJYXJUIFGXCL-UHFFFAOYSA-N 0 0 413.521 5.442 50 0 HKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000023438064 559174323 /nfs/dbraw/zinc/17/43/23/559174323.db2.gz SSTNXHOOCSFMKZ-QFIPXVFZSA-N 0 0 417.377 5.478 50 0 HKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000023438067 559174271 /nfs/dbraw/zinc/17/42/71/559174271.db2.gz SSTNXHOOCSFMKZ-JOCHJYFZSA-N 0 0 417.377 5.478 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)CCCOc3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000023438071 559174290 /nfs/dbraw/zinc/17/42/90/559174290.db2.gz OIQBMMQUYILXBK-UHFFFAOYSA-N 0 0 411.505 5.645 50 0 HKAARN O=C(Cc1ccccc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023438228 559174307 /nfs/dbraw/zinc/17/43/07/559174307.db2.gz ZRDRCOILKAZSFT-UHFFFAOYSA-N 0 0 408.860 5.392 50 0 HKAARN O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cc2ccccc2s1 ZINC000023438334 559174826 /nfs/dbraw/zinc/17/48/26/559174826.db2.gz ZIUJITRKYJVLQM-FQEVSTJZSA-N 0 0 401.487 5.427 50 0 HKAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cc2ccccc2s1 ZINC000023438336 559174818 /nfs/dbraw/zinc/17/48/18/559174818.db2.gz ZIUJITRKYJVLQM-HXUWFJFHSA-N 0 0 401.487 5.427 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023438342 559174822 /nfs/dbraw/zinc/17/48/22/559174822.db2.gz FQGQWSLBBGYDJL-UHFFFAOYSA-N 0 0 422.315 5.981 50 0 HKAARN O=C(NCCCc1ccccc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023438692 559174898 /nfs/dbraw/zinc/17/48/98/559174898.db2.gz PRBRTXRTFYZWHW-UHFFFAOYSA-N 0 0 413.542 6.570 50 0 HKAARN O=C(c1sc2cc3c(cc2c1Cl)OCO3)N(c1ccccc1)C1CCCCC1 ZINC000023438854 559174912 /nfs/dbraw/zinc/17/49/12/559174912.db2.gz DWHPQEKUFJCMMR-UHFFFAOYSA-N 0 0 413.926 6.263 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)c1 ZINC000023438979 559174893 /nfs/dbraw/zinc/17/48/93/559174893.db2.gz NOJQOSZAPBLNRD-UHFFFAOYSA-N 0 0 417.896 5.336 50 0 HKAARN CC[C@@H](C(=O)NCc1cccc(-c2nc(-c3ccc(F)cc3)c[nH]2)c1)c1ccccc1 ZINC000023439002 559174891 /nfs/dbraw/zinc/17/48/91/559174891.db2.gz WSZHJHYSKOGNRT-HSZRJFAPSA-N 0 0 413.496 5.693 50 0 HKAARN CC[C@H](C(=O)NCc1cccc(-c2nc(-c3ccc(F)cc3)c[nH]2)c1)c1ccccc1 ZINC000023439007 559174861 /nfs/dbraw/zinc/17/48/61/559174861.db2.gz WSZHJHYSKOGNRT-QHCPKHFHSA-N 0 0 413.496 5.693 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n[nH]2)c1 ZINC000023439340 559174870 /nfs/dbraw/zinc/17/48/70/559174870.db2.gz ZGRYDDGLHIUMBZ-UHFFFAOYSA-N 0 0 417.896 5.336 50 0 HKAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cccc(C)c4C)cc3)n2)c1 ZINC000023439442 559174856 /nfs/dbraw/zinc/17/48/56/559174856.db2.gz YUKFKOMKHZTGDH-UHFFFAOYSA-N 0 0 411.505 5.299 50 0 HKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023439524 559174888 /nfs/dbraw/zinc/17/48/88/559174888.db2.gz YQCMLPWOOVUBCE-UHFFFAOYSA-N 0 0 422.315 5.981 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)c1cccs1)CC2 ZINC000023439681 559174862 /nfs/dbraw/zinc/17/48/62/559174862.db2.gz UJJRPJMBLQKUHA-NRFANRHFSA-N 0 0 413.926 5.207 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)c1cccs1)CC2 ZINC000023439685 559174881 /nfs/dbraw/zinc/17/48/81/559174881.db2.gz UJJRPJMBLQKUHA-OAQYLSRUSA-N 0 0 413.926 5.207 50 0 HKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023440009 559174904 /nfs/dbraw/zinc/17/49/04/559174904.db2.gz CLEMBTCQKUUSRE-UHFFFAOYSA-N 0 0 421.422 5.693 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)COc4ccccc4)cc3)n2)cc1 ZINC000023440018 559174878 /nfs/dbraw/zinc/17/48/78/559174878.db2.gz MLWNEGPCQHTRRE-UHFFFAOYSA-N 0 0 410.473 5.442 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc(Cl)c4)cc3)n[nH]2)c1 ZINC000023440356 559174858 /nfs/dbraw/zinc/17/48/58/559174858.db2.gz IBJWJHWFZOVDLQ-UHFFFAOYSA-N 0 0 417.896 5.336 50 0 HKAARN O=C(CCc1ccccc1)N1CCC(n2c3ccccc3nc2Cc2ccccc2)CC1 ZINC000023440617 559174921 /nfs/dbraw/zinc/17/49/21/559174921.db2.gz IRUCLDNHXSABJZ-UHFFFAOYSA-N 0 0 423.560 5.423 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000023440643 559174868 /nfs/dbraw/zinc/17/48/68/559174868.db2.gz PZAUKJSTJHVNFO-DHIUTWEWSA-N 0 0 410.517 5.777 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000023440646 559174864 /nfs/dbraw/zinc/17/48/64/559174864.db2.gz PZAUKJSTJHVNFO-PKTZIBPZSA-N 0 0 410.517 5.777 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000023440805 559174919 /nfs/dbraw/zinc/17/49/19/559174919.db2.gz WZKRDVUKHFHMBL-HXUWFJFHSA-N 0 0 414.505 5.441 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000023440808 559174857 /nfs/dbraw/zinc/17/48/57/559174857.db2.gz WZKRDVUKHFHMBL-FQEVSTJZSA-N 0 0 414.505 5.441 50 0 HKAARN O=C(COCc1ccccc1)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023440918 558558422 /nfs/dbraw/zinc/55/84/22/558558422.db2.gz ZSKAVFKECSUQCY-UHFFFAOYSA-N 0 0 412.464 5.710 50 0 HKAARN COc1cccc(-c2cccc(-c3ccc(NC(=O)COc4ccccc4)cc3)n2)c1 ZINC000023441254 559174896 /nfs/dbraw/zinc/17/48/96/559174896.db2.gz FEUBFNIDQGYASE-UHFFFAOYSA-N 0 0 410.473 5.442 50 0 HKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)Cc3ccccc3)nc2c1 ZINC000023441710 559175041 /nfs/dbraw/zinc/17/50/41/559175041.db2.gz UHCWCDDLPAYWJD-UHFFFAOYSA-N 0 0 406.432 5.186 50 0 HKAARN COc1ccc(CC(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)cc1 ZINC000023441871 559175013 /nfs/dbraw/zinc/17/50/13/559175013.db2.gz IKHLHPUAPBJSSN-UHFFFAOYSA-N 0 0 414.505 5.225 50 0 HKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1nc2ccccc2s1 ZINC000023441900 559175020 /nfs/dbraw/zinc/17/50/20/559175020.db2.gz SXXVFGXDGSXTMM-UHFFFAOYSA-N 0 0 414.483 5.136 50 0 HKAARN Brc1cccc(-c2nc3ccccc3c(NCCCc3ccccc3)n2)c1 ZINC000023441902 559175044 /nfs/dbraw/zinc/17/50/44/559175044.db2.gz INQBSFFXSUXPII-UHFFFAOYSA-N 0 0 418.338 6.104 50 0 HKAARN Cc1cc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)c[nH]3)cc2)cc(Cl)n1 ZINC000023442000 571315423 /nfs/dbraw/zinc/31/54/23/571315423.db2.gz JMNRVCOELUQMAT-UHFFFAOYSA-N 0 0 420.875 5.170 50 0 HKAARN O=C(NCc1cccc(-c2nc(-c3ccc(F)cc3)c[nH]2)c1)c1c(F)cccc1F ZINC000023442061 559175029 /nfs/dbraw/zinc/17/50/29/559175029.db2.gz QFDCSAFCMNEAPU-UHFFFAOYSA-N 0 0 407.395 5.091 50 0 HKAARN Cc1c2ccccc2oc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023442093 558558490 /nfs/dbraw/zinc/55/84/90/558558490.db2.gz RUYYWXOUVYGTOL-UHFFFAOYSA-N 0 0 410.517 5.289 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023442257 559175007 /nfs/dbraw/zinc/17/50/07/559175007.db2.gz RDKDSFWTJBNSJP-QGZVFWFLSA-N 0 0 420.896 5.478 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023442259 559175043 /nfs/dbraw/zinc/17/50/43/559175043.db2.gz RDKDSFWTJBNSJP-KRWDZBQOSA-N 0 0 420.896 5.478 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023442318 559175034 /nfs/dbraw/zinc/17/50/34/559175034.db2.gz KHKYTGRRTMJHFQ-UHFFFAOYSA-N 0 0 400.428 5.875 50 0 HKAARN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023442348 559174998 /nfs/dbraw/zinc/17/49/98/559174998.db2.gz GPVMKAZTMLKDNO-UHFFFAOYSA-N 0 0 423.850 5.605 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(Cl)c2)cc1 ZINC000023442352 559175036 /nfs/dbraw/zinc/17/50/36/559175036.db2.gz OAMLNTDMODODQC-UHFFFAOYSA-N 0 0 404.897 5.941 50 0 HKAARN Cc1ccc(CCNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)cc1 ZINC000023442385 559175038 /nfs/dbraw/zinc/17/50/38/559175038.db2.gz SCAYWJDIGVSPLZ-UHFFFAOYSA-N 0 0 413.542 6.488 50 0 HKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023442540 559175045 /nfs/dbraw/zinc/17/50/45/559175045.db2.gz GZIJVJZOBAWLQH-OAQYLSRUSA-N 0 0 421.340 5.309 50 0 HKAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023442542 559174991 /nfs/dbraw/zinc/17/49/91/559174991.db2.gz GZIJVJZOBAWLQH-NRFANRHFSA-N 0 0 421.340 5.309 50 0 HKAARN COc1cccc(CC(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)c1 ZINC000023442695 559175018 /nfs/dbraw/zinc/17/50/18/559175018.db2.gz HSRZKDGGNYKEIA-UHFFFAOYSA-N 0 0 414.505 5.225 50 0 HKAARN Cc1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023442731 559175026 /nfs/dbraw/zinc/17/50/26/559175026.db2.gz SBSBGMLVBOPHFO-UHFFFAOYSA-N 0 0 409.533 5.413 50 0 HKAARN O=C(NCc1cccc(F)c1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023442753 559175042 /nfs/dbraw/zinc/17/50/42/559175042.db2.gz AWJNQRVTYDDLBM-UHFFFAOYSA-N 0 0 403.478 6.277 50 0 HKAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023442775 559175039 /nfs/dbraw/zinc/17/50/39/559175039.db2.gz ONTKNQUGSQMVQB-UHFFFAOYSA-N 0 0 423.850 5.605 50 0 HKAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)c[nH]2)cc1)c1ccc(F)cc1Cl ZINC000023442829 559175027 /nfs/dbraw/zinc/17/50/27/559175027.db2.gz PNTGKMSSOSQRDL-UHFFFAOYSA-N 0 0 423.850 5.605 50 0 HKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023442843 559175022 /nfs/dbraw/zinc/17/50/22/559175022.db2.gz RZHYDRNLDHXOBK-JOCHJYFZSA-N 0 0 413.908 5.814 50 0 HKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023442847 559175030 /nfs/dbraw/zinc/17/50/30/559175030.db2.gz RZHYDRNLDHXOBK-QFIPXVFZSA-N 0 0 413.908 5.814 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 ZINC000023442920 559175037 /nfs/dbraw/zinc/17/50/37/559175037.db2.gz DVFFQLRPXJRBSV-QFIPXVFZSA-N 0 0 423.560 5.907 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000023442924 559175028 /nfs/dbraw/zinc/17/50/28/559175028.db2.gz DVFFQLRPXJRBSV-JOCHJYFZSA-N 0 0 423.560 5.907 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)nc2)cc1 ZINC000023443247 559175122 /nfs/dbraw/zinc/17/51/22/559175122.db2.gz SNGZIDSWRVSFCI-UHFFFAOYSA-N 0 0 405.885 5.336 50 0 HKAARN Cc1cccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023443317 559175116 /nfs/dbraw/zinc/17/51/16/559175116.db2.gz GYVPJMZZEWQHQW-UHFFFAOYSA-N 0 0 409.533 5.413 50 0 HKAARN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023443413 559175097 /nfs/dbraw/zinc/17/50/97/559175097.db2.gz RSJDTHQIVPKQCK-UHFFFAOYSA-N 0 0 422.315 5.981 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3)n[nH]2)c1 ZINC000023443648 559175062 /nfs/dbraw/zinc/17/50/62/559175062.db2.gz MTSQNWSMKLLWCV-HSZRJFAPSA-N 0 0 409.489 5.170 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)n[nH]2)c1 ZINC000023443652 559175118 /nfs/dbraw/zinc/17/51/18/559175118.db2.gz MTSQNWSMKLLWCV-QHCPKHFHSA-N 0 0 409.489 5.170 50 0 HKAARN CN(Cc1csc(Cc2ccc(F)cc2Cl)n1)Cc1cccc2ccccc21 ZINC000023443663 559175076 /nfs/dbraw/zinc/17/50/76/559175076.db2.gz DAUOYFNTGDQJPO-UHFFFAOYSA-N 0 0 410.945 6.312 50 0 HKAARN O=C(CCc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl ZINC000023443693 559175106 /nfs/dbraw/zinc/17/51/06/559175106.db2.gz ZCGFXCQZHXUMOB-UHFFFAOYSA-N 0 0 401.897 5.764 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc2c1Cc1ccccc1-2 ZINC000023443735 559175054 /nfs/dbraw/zinc/17/50/54/559175054.db2.gz OEGMWWIMMISOFB-UHFFFAOYSA-N 0 0 415.873 5.541 50 0 HKAARN COc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(C)cc1 ZINC000023443843 559175091 /nfs/dbraw/zinc/17/50/91/559175091.db2.gz JVNYCSWTPAUHAL-UHFFFAOYSA-N 0 0 400.478 5.296 50 0 HKAARN O=C(NCc1cccc(F)c1F)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023443863 559175124 /nfs/dbraw/zinc/17/51/24/559175124.db2.gz IBEPYZBWGQVIDY-UHFFFAOYSA-N 0 0 423.850 5.605 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(F)c2)cc1 ZINC000023443891 559175096 /nfs/dbraw/zinc/17/50/96/559175096.db2.gz XTTOJKKMVNYADX-UHFFFAOYSA-N 0 0 404.441 5.127 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1 ZINC000023443931 559175133 /nfs/dbraw/zinc/17/51/33/559175133.db2.gz CBISOUDUGOZRRX-UHFFFAOYSA-N 0 0 410.473 5.442 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)n2)cc1 ZINC000023443965 559175112 /nfs/dbraw/zinc/17/51/12/559175112.db2.gz IHIIPKRXWDWTFH-UHFFFAOYSA-N 0 0 412.464 5.745 50 0 HKAARN O=C(c1ccccc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1cccc(Cl)c1 ZINC000023444019 559175093 /nfs/dbraw/zinc/17/50/93/559175093.db2.gz HRZJLRAZDTYUCU-UHFFFAOYSA-N 0 0 411.288 5.977 50 0 HKAARN Cc1ccccc1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023444157 559175114 /nfs/dbraw/zinc/17/51/14/559175114.db2.gz XICCFUXEFIUYLT-UHFFFAOYSA-N 0 0 409.533 5.413 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccccc2Cl)cc1 ZINC000023444169 559175057 /nfs/dbraw/zinc/17/50/57/559175057.db2.gz TZHMOEFVHZMLAW-UHFFFAOYSA-N 0 0 404.897 5.941 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCc3ccc(Cl)cc3)cc2)c1 ZINC000023444197 559175081 /nfs/dbraw/zinc/17/50/81/559175081.db2.gz UONFMSAMWFBQQO-UHFFFAOYSA-N 0 0 415.924 5.740 50 0 HKAARN CC(C)c1ccc(-c2noc(CCC(=O)N(C)Cc3nc4ccccc4s3)n2)cc1 ZINC000023444437 559175131 /nfs/dbraw/zinc/17/51/31/559175131.db2.gz VDXUYHBSHSIJDP-UHFFFAOYSA-N 0 0 420.538 5.061 50 0 HKAARN O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1)N1CCc2ccccc2C1 ZINC000023444528 559175085 /nfs/dbraw/zinc/17/50/85/559175085.db2.gz OACYQLIRYPXJKP-UHFFFAOYSA-N 0 0 413.908 5.596 50 0 HKAARN Cc1ccc(CC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023444540 559175083 /nfs/dbraw/zinc/17/50/83/559175083.db2.gz QXWJLDYQYMBPTK-UHFFFAOYSA-N 0 0 423.560 5.342 50 0 HKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3cccc(C)c3)nc2c1 ZINC000023444607 559175238 /nfs/dbraw/zinc/17/52/38/559175238.db2.gz WONGFZREJACSCA-UHFFFAOYSA-N 0 0 404.897 5.941 50 0 HKAARN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023444626 559175216 /nfs/dbraw/zinc/17/52/16/559175216.db2.gz SZKHJIQCDDDSFG-UHFFFAOYSA-N 0 0 409.533 6.159 50 0 HKAARN CC[C@@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(C)cc1)c1ccccc1 ZINC000023444737 559175206 /nfs/dbraw/zinc/17/52/06/559175206.db2.gz DRQAWZVNXWGVGT-HSZRJFAPSA-N 0 0 412.533 6.167 50 0 HKAARN CC[C@H](C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(C)cc1)c1ccccc1 ZINC000023444740 559175230 /nfs/dbraw/zinc/17/52/30/559175230.db2.gz DRQAWZVNXWGVGT-QHCPKHFHSA-N 0 0 412.533 6.167 50 0 HKAARN Cc1cccc(C(=O)N(Cc2nc3cc(Cl)ccc3o2)Cc2ccc(F)cc2)c1 ZINC000023444747 559175236 /nfs/dbraw/zinc/17/52/36/559175236.db2.gz NEQFFHKKCNIGRM-UHFFFAOYSA-N 0 0 408.860 5.771 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cc(F)ccc2C)cc1 ZINC000023444935 559175234 /nfs/dbraw/zinc/17/52/34/559175234.db2.gz CFXHMABVABRHFD-UHFFFAOYSA-N 0 0 402.469 5.735 50 0 HKAARN Cc1cccc(CC(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023444967 559175231 /nfs/dbraw/zinc/17/52/31/559175231.db2.gz BRJLNTVPGIEXAX-UHFFFAOYSA-N 0 0 423.560 5.342 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccccc2F)cc1 ZINC000023445047 559175237 /nfs/dbraw/zinc/17/52/37/559175237.db2.gz HBPZCFCRWPGKLW-UHFFFAOYSA-N 0 0 404.441 5.127 50 0 HKAARN O=C(c1ccc(Cl)nc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023445076 559175210 /nfs/dbraw/zinc/17/52/10/559175210.db2.gz QOAKNVIXNJWIEK-UHFFFAOYSA-N 0 0 412.276 5.372 50 0 HKAARN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023445095 559175227 /nfs/dbraw/zinc/17/52/27/559175227.db2.gz LPSWOVFXUHALBQ-UHFFFAOYSA-N 0 0 421.422 5.693 50 0 HKAARN CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023445104 559175208 /nfs/dbraw/zinc/17/52/08/559175208.db2.gz NTEOAZQHZYCRSL-UHFFFAOYSA-N 0 0 413.542 6.522 50 0 HKAARN O=C(c1cccc2ccccc21)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023445340 559175220 /nfs/dbraw/zinc/17/52/20/559175220.db2.gz MZZKIXGYMWXWGR-UHFFFAOYSA-N 0 0 404.897 6.219 50 0 HKAARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023445524 559175211 /nfs/dbraw/zinc/17/52/11/559175211.db2.gz CUKDQLOVZVJDCA-ISLYRVAYSA-N 0 0 406.485 6.149 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n2Cc1ccco1 ZINC000023445555 559175233 /nfs/dbraw/zinc/17/52/33/559175233.db2.gz OHKPOYBDCRZRFY-UHFFFAOYSA-N 0 0 406.507 5.455 50 0 HKAARN Cc1noc(-c2cccs2)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023445558 559175209 /nfs/dbraw/zinc/17/52/09/559175209.db2.gz ADKNIOZPTBPDCC-UHFFFAOYSA-N 0 0 402.519 5.664 50 0 HKAARN Cc1ccccc1CC(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023445609 559175221 /nfs/dbraw/zinc/17/52/21/559175221.db2.gz SURHQMKUZPHIBL-UHFFFAOYSA-N 0 0 423.560 5.342 50 0 HKAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCc3cccs3)cc2)cc1 ZINC000023445714 559175207 /nfs/dbraw/zinc/17/52/07/559175207.db2.gz LXRMJIPNVYSGIV-UHFFFAOYSA-N 0 0 415.562 5.873 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000023445876 559175232 /nfs/dbraw/zinc/17/52/32/559175232.db2.gz ARMTURYUBZXPSP-UHFFFAOYSA-N 0 0 406.432 5.565 50 0 HKAARN O=C(c1ccccc1Cl)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023445879 559175229 /nfs/dbraw/zinc/17/52/29/559175229.db2.gz GBMKUWPDZPMRPX-UHFFFAOYSA-N 0 0 411.288 5.977 50 0 HKAARN O=C(NCCCc1ccccc1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023445912 559175225 /nfs/dbraw/zinc/17/52/25/559175225.db2.gz NHRNDTPDLOXQHX-UHFFFAOYSA-N 0 0 421.544 5.595 50 0 HKAARN Clc1ccc(-c2nc(CN(Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000023446015 559175200 /nfs/dbraw/zinc/17/52/00/559175200.db2.gz MBDNCQUZEPOYQP-UHFFFAOYSA-N 0 0 404.966 6.666 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n2Cc1ccco1 ZINC000023446038 559175235 /nfs/dbraw/zinc/17/52/35/559175235.db2.gz BUXYFFJORBDGNP-UHFFFAOYSA-N 0 0 406.507 5.455 50 0 HKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccc(F)cc3)nc2c1 ZINC000023446070 559175283 /nfs/dbraw/zinc/17/52/83/559175283.db2.gz CEGNBVWTSCAXOT-UHFFFAOYSA-N 0 0 408.860 5.771 50 0 HKAARN O=C(c1ccc(F)cc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023446143 559175310 /nfs/dbraw/zinc/17/53/10/559175310.db2.gz DEBFOCZYHKZJTF-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN C[C@@H](C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023446175 559175320 /nfs/dbraw/zinc/17/53/20/559175320.db2.gz WKKHAIGUSRVAGQ-OAQYLSRUSA-N 0 0 423.560 5.594 50 0 HKAARN C[C@H](C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000023446177 559175295 /nfs/dbraw/zinc/17/52/95/559175295.db2.gz WKKHAIGUSRVAGQ-NRFANRHFSA-N 0 0 423.560 5.594 50 0 HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc(Cl)cc1 ZINC000023446187 559175335 /nfs/dbraw/zinc/17/53/35/559175335.db2.gz NNGAVWGILIPRGR-UHFFFAOYSA-N 0 0 402.856 6.460 50 0 HKAARN CC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023446199 559175333 /nfs/dbraw/zinc/17/53/33/559175333.db2.gz RMBYJNTXOMSQJK-LJQANCHMSA-N 0 0 411.505 5.860 50 0 HKAARN CC[C@H](C)NC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023446201 559175281 /nfs/dbraw/zinc/17/52/81/559175281.db2.gz RMBYJNTXOMSQJK-IBGZPJMESA-N 0 0 411.505 5.860 50 0 HKAARN O=C(CSc1ccccc1)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023446209 559175337 /nfs/dbraw/zinc/17/53/37/559175337.db2.gz NKEOPKGDPSSOAY-UHFFFAOYSA-N 0 0 414.505 6.286 50 0 HKAARN O=C(NCc1ccc(Oc2ccccc2)cc1)c1sc2cc(F)ccc2c1Cl ZINC000023446341 559175305 /nfs/dbraw/zinc/17/53/05/559175305.db2.gz AHAQKIRJUFIYIX-UHFFFAOYSA-N 0 0 411.885 6.416 50 0 HKAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023446410 571315402 /nfs/dbraw/zinc/31/54/02/571315402.db2.gz TWYAAVPBIAYGOG-NFBKMPQASA-N 0 0 415.443 5.103 50 0 HKAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023446412 571315436 /nfs/dbraw/zinc/31/54/36/571315436.db2.gz TWYAAVPBIAYGOG-OFNKIYASSA-N 0 0 415.443 5.103 50 0 HKAARN Cc1noc(-c2cccc(F)c2)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023446442 559175315 /nfs/dbraw/zinc/17/53/15/559175315.db2.gz NHAIXOKUHNSHIX-UHFFFAOYSA-N 0 0 414.480 5.741 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2F)cc1 ZINC000023446475 559175352 /nfs/dbraw/zinc/17/53/52/559175352.db2.gz FTFAJMMKTOQRQI-UHFFFAOYSA-N 0 0 406.432 5.565 50 0 HKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)COc3ccccc3)c2)n1 ZINC000023446497 559175296 /nfs/dbraw/zinc/17/52/96/559175296.db2.gz FHFUQGZBRHWGOF-UHFFFAOYSA-N 0 0 410.473 5.442 50 0 HKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3cccc(F)c3)nc2c1 ZINC000023446562 559175340 /nfs/dbraw/zinc/17/53/40/559175340.db2.gz ZJVOGFPUEQCJAT-UHFFFAOYSA-N 0 0 408.860 5.771 50 0 HKAARN CCc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(OC)cc2)cc1 ZINC000023446601 559175303 /nfs/dbraw/zinc/17/53/03/559175303.db2.gz KCWIMJXNDDDZOM-UHFFFAOYSA-N 0 0 414.505 5.550 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023446635 559175307 /nfs/dbraw/zinc/17/53/07/559175307.db2.gz CMVRNFOPCCLKHT-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1 ZINC000023446667 559175343 /nfs/dbraw/zinc/17/53/43/559175343.db2.gz WHJRXYGXJZEUCY-SFHVURJKSA-N 0 0 423.516 5.387 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1 ZINC000023446669 559175291 /nfs/dbraw/zinc/17/52/91/559175291.db2.gz WHJRXYGXJZEUCY-GOSISDBHSA-N 0 0 423.516 5.387 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000023446677 559175342 /nfs/dbraw/zinc/17/53/42/559175342.db2.gz DSZGLXZEMAJDNG-UHFFFAOYSA-N 0 0 408.501 6.293 50 0 HKAARN COc1ccc(-c2cc(NC(=O)CCc3ccccc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023446691 559175289 /nfs/dbraw/zinc/17/52/89/559175289.db2.gz XYLDCANEIANPSI-UHFFFAOYSA-N 0 0 411.505 5.428 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)cc1 ZINC000023446813 559175396 /nfs/dbraw/zinc/17/53/96/559175396.db2.gz YGFVFCBZQVDGJJ-UHFFFAOYSA-N 0 0 415.514 6.146 50 0 biogenic HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cccc(Cl)c1 ZINC000023446833 559175400 /nfs/dbraw/zinc/17/54/00/559175400.db2.gz YCZSLQOJCGDIAK-UHFFFAOYSA-N 0 0 402.856 6.460 50 0 HKAARN CN(C(=O)COc1ccccc1)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023446877 559175421 /nfs/dbraw/zinc/17/54/21/559175421.db2.gz WQRRQXIHMINRJL-UHFFFAOYSA-N 0 0 410.473 5.149 50 0 HKAARN O=C(c1ccc(F)c(F)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023446933 559175392 /nfs/dbraw/zinc/17/53/92/559175392.db2.gz MOCOCSXHDAFZJZ-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCc2ccccc2)cc1 ZINC000023446950 559175411 /nfs/dbraw/zinc/17/54/11/559175411.db2.gz IRSVEFRHVWBYOQ-UHFFFAOYSA-N 0 0 415.924 6.072 50 0 HKAARN CCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)s2)cc1 ZINC000023446956 559175408 /nfs/dbraw/zinc/17/54/08/559175408.db2.gz POOWEUWMMRTTTP-KRWDZBQOSA-N 0 0 401.531 6.458 50 0 HKAARN CCOc1ccc(-c2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)s2)cc1 ZINC000023446958 559175404 /nfs/dbraw/zinc/17/54/04/559175404.db2.gz POOWEUWMMRTTTP-QGZVFWFLSA-N 0 0 401.531 6.458 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1)n2Cc1ccco1 ZINC000023446983 559175402 /nfs/dbraw/zinc/17/54/02/559175402.db2.gz PEHHCYBGQWPLDB-UHFFFAOYSA-N 0 0 410.470 5.286 50 0 HKAARN CCOc1ccc(-c2ccc(C(=O)N(C)Cc3cccc4ccccc43)s2)cc1 ZINC000023446997 559175425 /nfs/dbraw/zinc/17/54/25/559175425.db2.gz BUOJCHVQUWMHDX-UHFFFAOYSA-N 0 0 401.531 6.239 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(-c3[nH]nc4c3CCCc3ccccc3-4)cc2)c1 ZINC000023446999 559175397 /nfs/dbraw/zinc/17/53/97/559175397.db2.gz KNPRMNOEQLFOJG-UHFFFAOYSA-N 0 0 407.517 5.471 50 0 HKAARN O=C(NCCOc1ccccc1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023447001 559175418 /nfs/dbraw/zinc/17/54/18/559175418.db2.gz XQKDUWGJAOTIMA-UHFFFAOYSA-N 0 0 423.516 5.041 50 0 HKAARN CN(Cc1ccccc1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000023447027 558558705 /nfs/dbraw/zinc/55/87/05/558558705.db2.gz CQDVMXXHTIELER-UHFFFAOYSA-N 0 0 404.311 5.696 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(F)c2F)cc1 ZINC000023447070 559175401 /nfs/dbraw/zinc/17/54/01/559175401.db2.gz NRBNFTVVLBJRIR-UHFFFAOYSA-N 0 0 406.432 5.565 50 0 HKAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023447160 559175423 /nfs/dbraw/zinc/17/54/23/559175423.db2.gz KCACNVVJCKCIKN-DHIUTWEWSA-N 0 0 413.908 5.479 50 0 HKAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023447162 559175429 /nfs/dbraw/zinc/17/54/29/559175429.db2.gz KCACNVVJCKCIKN-PKTZIBPZSA-N 0 0 413.908 5.479 50 0 HKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3cccc(C)c3)nc2c1 ZINC000023447192 559175410 /nfs/dbraw/zinc/17/54/10/559175410.db2.gz UFOSWIKCJZBZNB-UHFFFAOYSA-N 0 0 406.432 5.565 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)n2)cc1 ZINC000023447215 559175407 /nfs/dbraw/zinc/17/54/07/559175407.db2.gz YKDRLEGSRPJOED-UHFFFAOYSA-N 0 0 412.464 5.745 50 0 HKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccccc3F)nc2c1 ZINC000023447294 559175403 /nfs/dbraw/zinc/17/54/03/559175403.db2.gz RKZQMZYRABMAQO-UHFFFAOYSA-N 0 0 408.860 5.771 50 0 HKAARN CCN(CC)C(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023447311 559175417 /nfs/dbraw/zinc/17/54/17/559175417.db2.gz RYBHXZQBLWTWQK-UHFFFAOYSA-N 0 0 411.505 5.814 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCc3ccc(F)c(F)c3)cc2)c1 ZINC000023447325 559175405 /nfs/dbraw/zinc/17/54/05/559175405.db2.gz VKKUFPSAGBFKAS-UHFFFAOYSA-N 0 0 417.459 5.364 50 0 HKAARN O=C(c1cc(F)cc(F)c1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023447348 559175413 /nfs/dbraw/zinc/17/54/13/559175413.db2.gz GOIYCOMDKLFLIY-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN O=C(c1ccccc1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccc(F)cc1 ZINC000023447350 559175406 /nfs/dbraw/zinc/17/54/06/559175406.db2.gz OWHPWBJUJUVJHG-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc(Cl)nc1 ZINC000023447363 559175409 /nfs/dbraw/zinc/17/54/09/559175409.db2.gz QEVOCARRDZLUBX-UHFFFAOYSA-N 0 0 403.844 5.855 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023447377 559175390 /nfs/dbraw/zinc/17/53/90/559175390.db2.gz PRISQBLFECNWBL-UHFFFAOYSA-N 0 0 407.517 5.471 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023447390 559175414 /nfs/dbraw/zinc/17/54/14/559175414.db2.gz MBWXJYFBLWRSCD-UHFFFAOYSA-N 0 0 423.850 5.401 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)c3ccccc3n2)cc1 ZINC000023447394 559175395 /nfs/dbraw/zinc/17/53/95/559175395.db2.gz JGTXQUUMYDIQSH-UHFFFAOYSA-N 0 0 400.453 5.370 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)c1 ZINC000023447401 559175416 /nfs/dbraw/zinc/17/54/16/559175416.db2.gz UJRVVUQEYMDAKK-UHFFFAOYSA-N 0 0 415.514 6.146 50 0 biogenic HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n2Cc1ccco1 ZINC000023447413 559175412 /nfs/dbraw/zinc/17/54/12/559175412.db2.gz MAMXSWHRBLQOAT-UHFFFAOYSA-N 0 0 410.470 5.286 50 0 HKAARN CCc1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000023447490 559175554 /nfs/dbraw/zinc/17/55/54/559175554.db2.gz JIEOPANADHNOMO-UHFFFAOYSA-N 0 0 423.560 5.667 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)n2)cc1 ZINC000023447603 559175571 /nfs/dbraw/zinc/17/55/71/559175571.db2.gz DSYVLVWKOJOAMF-UHFFFAOYSA-N 0 0 414.892 6.330 50 0 HKAARN COc1c(C)cc(-c2ccc3nc(-c4ccccc4Br)oc3c2)cc1C ZINC000023447622 559175565 /nfs/dbraw/zinc/17/55/65/559175565.db2.gz PWWZZUFQBVSHTK-UHFFFAOYSA-N 0 0 408.295 6.550 50 0 HKAARN O=C(N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1)c1ccc2ncsc2c1 ZINC000023447725 559175517 /nfs/dbraw/zinc/17/55/17/559175517.db2.gz HQTQKVSJQFTBER-LBPRGKRZSA-N 0 0 416.333 5.372 50 0 HKAARN O=C(N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1)c1ccc2ncsc2c1 ZINC000023447728 559175528 /nfs/dbraw/zinc/17/55/28/559175528.db2.gz HQTQKVSJQFTBER-GFCCVEGCSA-N 0 0 416.333 5.372 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2c(F)cccc2F)cc1 ZINC000023447843 559175573 /nfs/dbraw/zinc/17/55/73/559175573.db2.gz LKLQVEYEQHSBBV-UHFFFAOYSA-N 0 0 406.432 5.565 50 0 HKAARN Clc1ccc(Cc2nc(CSc3cccc4ccccc43)cs2)cc1Cl ZINC000023447873 559175529 /nfs/dbraw/zinc/17/55/29/559175529.db2.gz GJEXXXAPTPUSON-UHFFFAOYSA-N 0 0 416.398 7.486 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000023447949 559175531 /nfs/dbraw/zinc/17/55/31/559175531.db2.gz BSADRGJGYGSTSY-RUZDIDTESA-N 0 0 407.517 5.655 50 0 HKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000023447952 559175572 /nfs/dbraw/zinc/17/55/72/559175572.db2.gz BSADRGJGYGSTSY-VWLOTQADSA-N 0 0 407.517 5.655 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NCCc3cccs3)c3ccccc3n2)cc1 ZINC000023447980 559175553 /nfs/dbraw/zinc/17/55/53/559175553.db2.gz KCLYVTLELGZQCY-UHFFFAOYSA-N 0 0 402.519 5.335 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448033 559175535 /nfs/dbraw/zinc/17/55/35/559175535.db2.gz RXFXJLJRJGJYIS-GOSISDBHSA-N 0 0 407.517 5.723 50 0 HKAARN CCCN(C(=O)c1ccc(C)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000023448035 558558773 /nfs/dbraw/zinc/55/87/73/558558773.db2.gz KSUBHWHXDRLVHF-UHFFFAOYSA-N 0 0 406.338 5.877 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448036 559175567 /nfs/dbraw/zinc/17/55/67/559175567.db2.gz RXFXJLJRJGJYIS-SFHVURJKSA-N 0 0 407.517 5.723 50 0 HKAARN C[C@@H]1CCCN(c2cc(C(=O)NCc3cccc4ccccc43)c3ccccc3n2)C1 ZINC000023448182 559175556 /nfs/dbraw/zinc/17/55/56/559175556.db2.gz CBTXMGNRJCAYKU-LJQANCHMSA-N 0 0 409.533 5.554 50 0 HKAARN C[C@H]1CCCN(c2cc(C(=O)NCc3cccc4ccccc43)c3ccccc3n2)C1 ZINC000023448186 132481165 /nfs/dbraw/zinc/48/11/65/132481165.db2.gz CBTXMGNRJCAYKU-IBGZPJMESA-N 0 0 409.533 5.554 50 0 HKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023448189 559175559 /nfs/dbraw/zinc/17/55/59/559175559.db2.gz VBDGVALHYNTEAE-SANMLTNESA-N 0 0 424.544 5.597 50 0 HKAARN Cc1c2ccccc2oc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023448192 559175551 /nfs/dbraw/zinc/17/55/51/559175551.db2.gz VBDGVALHYNTEAE-AREMUKBSSA-N 0 0 424.544 5.597 50 0 HKAARN O=C(c1cccc(F)c1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023448391 559174499 /nfs/dbraw/zinc/17/44/99/559174499.db2.gz FTQFBZVEPPRWDW-UHFFFAOYSA-N 0 0 412.823 5.602 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023448397 559174540 /nfs/dbraw/zinc/17/45/40/559174540.db2.gz SFRFYPADIXSJME-UHFFFAOYSA-N 0 0 407.517 5.505 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000023448445 559174518 /nfs/dbraw/zinc/17/45/18/559174518.db2.gz FLARFIUTMJECEK-LJQANCHMSA-N 0 0 410.517 5.834 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000023448448 559174523 /nfs/dbraw/zinc/17/45/23/559174523.db2.gz FLARFIUTMJECEK-IBGZPJMESA-N 0 0 410.517 5.834 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448454 559174534 /nfs/dbraw/zinc/17/45/34/559174534.db2.gz YPXNAUPCKHRFJX-JOCHJYFZSA-N 0 0 408.501 6.240 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1ccccc1 ZINC000023448457 559174494 /nfs/dbraw/zinc/17/44/94/559174494.db2.gz YPXNAUPCKHRFJX-QFIPXVFZSA-N 0 0 408.501 6.240 50 0 HKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccc(F)cc3)nc2c1 ZINC000023448494 559174530 /nfs/dbraw/zinc/17/45/30/559174530.db2.gz CYFJRUHXJQHCOH-UHFFFAOYSA-N 0 0 410.395 5.396 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023448796 559174533 /nfs/dbraw/zinc/17/45/33/559174533.db2.gz QNWUSJPCNPBLTP-UHFFFAOYSA-N 0 0 419.933 6.791 50 0 HKAARN Cc1ccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)cc1C ZINC000023448916 559174631 /nfs/dbraw/zinc/17/46/31/559174631.db2.gz JXCWPSINHHGIGI-UHFFFAOYSA-N 0 0 423.560 5.721 50 0 HKAARN COc1ccc2sc(C(=O)Nc3ccc(Cc4ccccc4)cc3)c(Cl)c2c1 ZINC000023449059 559174604 /nfs/dbraw/zinc/17/46/04/559174604.db2.gz LBJSBETVKGALNX-UHFFFAOYSA-N 0 0 407.922 6.406 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(Cl)c2)cc1 ZINC000023449122 559174641 /nfs/dbraw/zinc/17/46/41/559174641.db2.gz RDMZPFWOVULRHX-UHFFFAOYSA-N 0 0 420.896 5.641 50 0 HKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3)n[nH]2)c1 ZINC000023449189 559174615 /nfs/dbraw/zinc/17/46/15/559174615.db2.gz WCVWALGJMOVSMD-XMMPIXPASA-N 0 0 423.516 5.560 50 0 HKAARN CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023449215 559174592 /nfs/dbraw/zinc/17/45/92/559174592.db2.gz QJQUNLAOFRPHCJ-UHFFFAOYSA-N 0 0 413.542 6.870 50 0 HKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3cccc(F)c3)nc2c1 ZINC000023449249 559174569 /nfs/dbraw/zinc/17/45/69/559174569.db2.gz KEAHIYWWUHPGOB-UHFFFAOYSA-N 0 0 410.395 5.396 50 0 HKAARN Cc1cc(C)cc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023449357 559174575 /nfs/dbraw/zinc/17/45/75/559174575.db2.gz LMYDEUIYQUVGAI-UHFFFAOYSA-N 0 0 423.560 5.721 50 0 HKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000023449366 559174619 /nfs/dbraw/zinc/17/46/19/559174619.db2.gz UNKLSIDXOOBACU-QGZVFWFLSA-N 0 0 412.533 6.592 50 0 HKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023449368 559174586 /nfs/dbraw/zinc/17/45/86/559174586.db2.gz UNKLSIDXOOBACU-KRWDZBQOSA-N 0 0 412.533 6.592 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)c4cc(F)ccc4C)cc3)n2)cc1 ZINC000023449422 559174644 /nfs/dbraw/zinc/17/46/44/559174644.db2.gz HVCYIRBRNPYURW-UHFFFAOYSA-N 0 0 412.464 6.124 50 0 HKAARN CCc1ccccc1C(=O)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023449428 559174606 /nfs/dbraw/zinc/17/46/06/559174606.db2.gz XRMIQVFLFWLNMR-UHFFFAOYSA-N 0 0 423.560 5.667 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1cccnc1Cl ZINC000023449445 559174572 /nfs/dbraw/zinc/17/45/72/559174572.db2.gz CIRONDYRHXIVLO-UHFFFAOYSA-N 0 0 401.853 5.408 50 0 HKAARN O=C(NCCc1cccs1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023449566 559174579 /nfs/dbraw/zinc/17/45/79/559174579.db2.gz XZVFCAVKHNUUJC-UHFFFAOYSA-N 0 0 413.546 5.266 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(C)c2)cc1 ZINC000023449729 559174594 /nfs/dbraw/zinc/17/45/94/559174594.db2.gz QHQNKKVDZMFMOP-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000023449757 559174633 /nfs/dbraw/zinc/17/46/33/559174633.db2.gz GAYIEKKSEHUSLT-NDEPHWFRSA-N 0 0 420.556 5.696 50 0 HKAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000023449760 559174597 /nfs/dbraw/zinc/17/45/97/559174597.db2.gz GAYIEKKSEHUSLT-MUUNZHRXSA-N 0 0 420.556 5.696 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1cc(F)cc(F)c1 ZINC000023449786 559174602 /nfs/dbraw/zinc/17/46/02/559174602.db2.gz AQDDNABJMUVKPN-UHFFFAOYSA-N 0 0 402.400 5.638 50 0 HKAARN COc1ccccc1-c1cccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)n1 ZINC000023449800 559174590 /nfs/dbraw/zinc/17/45/90/559174590.db2.gz KIMUXSSANKFTCG-UHFFFAOYSA-N 0 0 412.464 5.745 50 0 HKAARN Cc1ccc(C)c(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1 ZINC000023449917 559174584 /nfs/dbraw/zinc/17/45/84/559174584.db2.gz KMFLRWZRVKVNJU-UHFFFAOYSA-N 0 0 423.560 5.721 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)nc2)cc1 ZINC000023449920 559174627 /nfs/dbraw/zinc/17/46/27/559174627.db2.gz YJKYWQJRRDYNTD-UHFFFAOYSA-N 0 0 421.884 5.036 50 0 HKAARN Cc1cccc(C(=O)N2CCC(n3c(Cc4ccccc4)nc4ccccc43)CC2)c1C ZINC000023450006 559174699 /nfs/dbraw/zinc/17/46/99/559174699.db2.gz IKNXRXTVXLUTKU-UHFFFAOYSA-N 0 0 423.560 5.721 50 0 HKAARN CN(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000023450012 559174692 /nfs/dbraw/zinc/17/46/92/559174692.db2.gz NTIQIHFZCXJMDZ-UHFFFAOYSA-N 0 0 411.480 5.873 50 0 HKAARN Cc1ccc2oc(CN(Cc3cc(F)ccc3F)C(=O)c3ccccc3F)nc2c1 ZINC000023450290 559174689 /nfs/dbraw/zinc/17/46/89/559174689.db2.gz PXEXYDBFBOMJHE-UHFFFAOYSA-N 0 0 410.395 5.396 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)n2)cc1 ZINC000023450292 559174684 /nfs/dbraw/zinc/17/46/84/559174684.db2.gz BJVDJOUJUYSKPH-UHFFFAOYSA-N 0 0 408.501 6.293 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023450373 559174704 /nfs/dbraw/zinc/17/47/04/559174704.db2.gz GQOMHJXMOOGRCB-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN COc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)cc1F ZINC000023450409 558558752 /nfs/dbraw/zinc/55/87/52/558558752.db2.gz ZRHDKUPUSLDVCE-UHFFFAOYSA-N 0 0 418.468 5.435 50 0 HKAARN CN(C(=O)Cc1ccc(F)cc1)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023450523 559174698 /nfs/dbraw/zinc/17/46/98/559174698.db2.gz DXPQFTAKTHXOSV-UHFFFAOYSA-N 0 0 412.464 5.452 50 0 HKAARN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023450578 559174688 /nfs/dbraw/zinc/17/46/88/559174688.db2.gz QXKARVDAMCVZHV-UHFFFAOYSA-N 0 0 421.468 6.416 50 0 HKAARN COc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccccc2Cl)cc1 ZINC000023450619 559174709 /nfs/dbraw/zinc/17/47/09/559174709.db2.gz BRYUWIQIYDZJOX-UHFFFAOYSA-N 0 0 420.896 5.641 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc3ccccc31)n2CCOC ZINC000023450715 559174708 /nfs/dbraw/zinc/17/47/08/559174708.db2.gz AWGNPGDUDHRLET-UHFFFAOYSA-N 0 0 420.534 5.305 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccccc2Cl)cc1 ZINC000023450729 559174687 /nfs/dbraw/zinc/17/46/87/559174687.db2.gz ZMLRLCFSCXMQQA-UHFFFAOYSA-N 0 0 420.896 5.641 50 0 HKAARN CCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023450739 559174693 /nfs/dbraw/zinc/17/46/93/559174693.db2.gz KELINWFDAVOKQB-UHFFFAOYSA-N 0 0 414.530 6.265 50 0 HKAARN COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cccc(Cl)c2)cc1 ZINC000023450781 559174690 /nfs/dbraw/zinc/17/46/90/559174690.db2.gz KOVDOANFYRBBCE-UHFFFAOYSA-N 0 0 403.869 5.454 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023450787 559174705 /nfs/dbraw/zinc/17/47/05/559174705.db2.gz QARDUZAHASYSHD-UHFFFAOYSA-N 0 0 401.441 5.248 50 0 HKAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023450885 559174706 /nfs/dbraw/zinc/17/47/06/559174706.db2.gz AYWLITBSHOEQOE-UHFFFAOYSA-N 0 0 421.468 6.416 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)cc2)cc1 ZINC000023451025 559174686 /nfs/dbraw/zinc/17/46/86/559174686.db2.gz MTCXPWUQUMYCPX-UHFFFAOYSA-N 0 0 405.860 5.893 50 0 HKAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023451081 559174701 /nfs/dbraw/zinc/17/47/01/559174701.db2.gz AZLMXHIDCSYWCD-HSZRJFAPSA-N 0 0 411.526 6.625 50 0 HKAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023451083 559174694 /nfs/dbraw/zinc/17/46/94/559174694.db2.gz AZLMXHIDCSYWCD-QHCPKHFHSA-N 0 0 411.526 6.625 50 0 HKAARN CCOc1cc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)ccc1OC ZINC000023451097 559174700 /nfs/dbraw/zinc/17/47/00/559174700.db2.gz FWMGFJULAALIEA-UHFFFAOYSA-N 0 0 403.478 6.195 50 0 HKAARN COc1ccc2sc(C(=O)NCc3ccc(Oc4ccccc4)cc3)c(Cl)c2c1 ZINC000023451132 559174691 /nfs/dbraw/zinc/17/46/91/559174691.db2.gz APMIDWBJAOBKGC-UHFFFAOYSA-N 0 0 423.921 6.286 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cc(F)ccc2C)cc1 ZINC000023451146 559174808 /nfs/dbraw/zinc/17/48/08/559174808.db2.gz MYAXPLMBODRSAI-UHFFFAOYSA-N 0 0 418.468 5.435 50 0 HKAARN Cc1ccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)cc1 ZINC000023451160 559174768 /nfs/dbraw/zinc/17/47/68/559174768.db2.gz DBJLYCOYXMCUPC-UHFFFAOYSA-N 0 0 413.496 5.628 50 0 HKAARN O=C(Nc1ccc(-c2onc3c2CCc2ccccc2-3)cc1)c1c(F)cccc1F ZINC000023451175 559174778 /nfs/dbraw/zinc/17/47/78/559174778.db2.gz AVUMANIVTGZQRU-UHFFFAOYSA-N 0 0 402.400 5.638 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3cccc(F)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023451237 559174781 /nfs/dbraw/zinc/17/47/81/559174781.db2.gz GYDVIPZSZVRQLC-UHFFFAOYSA-N 0 0 401.441 5.248 50 0 HKAARN O=C(c1ccc(-c2ccc(F)cc2)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000023451266 559174814 /nfs/dbraw/zinc/17/48/14/559174814.db2.gz WBHAVPNFKZPLIR-UHFFFAOYSA-N 0 0 401.506 6.397 50 0 HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1c(F)cccc1F ZINC000023451267 559174773 /nfs/dbraw/zinc/17/47/73/559174773.db2.gz LVGLXISNFIUKMF-UHFFFAOYSA-N 0 0 404.391 6.085 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)n2)cc1 ZINC000023451269 559174793 /nfs/dbraw/zinc/17/47/93/559174793.db2.gz PXLWIHIVAIKYOJ-UHFFFAOYSA-N 0 0 414.892 6.330 50 0 HKAARN O=C(NCc1cccc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023451347 559174812 /nfs/dbraw/zinc/17/48/12/559174812.db2.gz YUKJTPWRFDLOCF-UHFFFAOYSA-N 0 0 411.448 6.517 50 0 HKAARN O=C(NC1CCCC1)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023451411 559174796 /nfs/dbraw/zinc/17/47/96/559174796.db2.gz SAPWBNKDPFKZQG-UHFFFAOYSA-N 0 0 423.516 6.004 50 0 HKAARN O=C(c1cccc2ccccc21)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023451432 559174790 /nfs/dbraw/zinc/17/47/90/559174790.db2.gz XMVIOFZUBOMHEL-MHZLTWQESA-N 0 0 424.519 5.526 50 0 HKAARN O=C(c1cccc2ccccc21)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023451433 559174758 /nfs/dbraw/zinc/17/47/58/559174758.db2.gz XMVIOFZUBOMHEL-HHHXNRCGSA-N 0 0 424.519 5.526 50 0 HKAARN Cc1cccc(C(=O)N2CCC(n3c4cc(F)ccc4nc3-c3ccccc3)CC2)c1 ZINC000023451435 559174803 /nfs/dbraw/zinc/17/48/03/559174803.db2.gz NFYVBBGONUIQCH-UHFFFAOYSA-N 0 0 413.496 5.628 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(F)c2)cc1 ZINC000023451456 559174776 /nfs/dbraw/zinc/17/47/76/559174776.db2.gz XGZKAYBQNNDCHW-UHFFFAOYSA-N 0 0 405.860 5.893 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023451474 559174786 /nfs/dbraw/zinc/17/47/86/559174786.db2.gz OFTFYWKNDTWIGK-UHFFFAOYSA-N 0 0 405.860 5.893 50 0 HKAARN Fc1ccc(Cc2nc(CSc3nc4ccccc4s3)cs2)c(Cl)c1 ZINC000023451521 559174810 /nfs/dbraw/zinc/17/48/10/559174810.db2.gz BPEMUJLDLYEGIA-UHFFFAOYSA-N 0 0 406.960 6.428 50 0 HKAARN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2ccc3ccccc3c2)cc1 ZINC000023451597 559174766 /nfs/dbraw/zinc/17/47/66/559174766.db2.gz ORKGZIHWKYHUGX-UHFFFAOYSA-N 0 0 406.485 5.468 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000023451622 559174820 /nfs/dbraw/zinc/17/48/20/559174820.db2.gz WYGHCMVMZWNSHC-UHFFFAOYSA-N 0 0 422.431 5.266 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)n2)cc1 ZINC000023451713 523139113 /nfs/dbraw/zinc/13/91/13/523139113.db2.gz KACCJBNJZIYXBI-UHFFFAOYSA-N 0 0 415.880 5.725 50 0 HKAARN CCOc1ccc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc1OC ZINC000023451730 520822149 /nfs/dbraw/zinc/82/21/49/520822149.db2.gz LDQBATPFDMTDGZ-UHFFFAOYSA-N 0 0 413.395 6.588 50 0 HKAARN COc1ccc(-c2cccc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc1 ZINC000023451752 523140160 /nfs/dbraw/zinc/14/01/60/523140160.db2.gz DWKVISMGXSGWNQ-UHFFFAOYSA-N 0 0 416.427 5.955 50 0 HKAARN Cc1ccccc1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023451782 525046340 /nfs/dbraw/zinc/04/63/40/525046340.db2.gz FOEHYYNRCTURDR-UHFFFAOYSA-N 0 0 413.496 5.628 50 0 HKAARN O=C(NCc1cc(F)cc(F)c1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023451824 526641989 /nfs/dbraw/zinc/64/19/89/526641989.db2.gz OINVMAFSYSJISY-UHFFFAOYSA-N 0 0 423.850 5.401 50 0 HKAARN Cc1ccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)cc1 ZINC000023451967 526088721 /nfs/dbraw/zinc/08/87/21/526088721.db2.gz FZLKBLJYGFMLFS-UHFFFAOYSA-N 0 0 421.544 6.003 50 0 HKAARN c1ccc(Oc2ccc(-c3nc4ccccc4c(N4CCCCCCC4)n3)cc2)cc1 ZINC000023452009 526488050 /nfs/dbraw/zinc/48/80/50/526488050.db2.gz LCGYULSXXBACFG-UHFFFAOYSA-N 0 0 409.533 6.860 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cc(F)cc(F)c2)cc1 ZINC000023452020 524015625 /nfs/dbraw/zinc/01/56/25/524015625.db2.gz XNKIKZDBLWHFIB-UHFFFAOYSA-N 0 0 422.431 5.266 50 0 HKAARN CCCN(CC1CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000023452053 521626954 /nfs/dbraw/zinc/62/69/54/521626954.db2.gz JWORGAZSOOBRKK-UHFFFAOYSA-N 0 0 409.533 6.716 50 0 HKAARN CC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)c1ccccc1 ZINC000023452109 521864273 /nfs/dbraw/zinc/86/42/73/521864273.db2.gz WVRSFHHUKSWHSK-HSZRJFAPSA-N 0 0 411.505 5.680 50 0 HKAARN CC[C@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)c1ccccc1 ZINC000023452112 523797135 /nfs/dbraw/zinc/79/71/35/523797135.db2.gz WVRSFHHUKSWHSK-QHCPKHFHSA-N 0 0 411.505 5.680 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3Cl)n(-c3ccccc3C)n2)cc1 ZINC000023452141 525736619 /nfs/dbraw/zinc/73/66/19/525736619.db2.gz FSJDUJACXSZUNB-UHFFFAOYSA-N 0 0 401.897 6.062 50 0 HKAARN CN(CCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000023452223 522957303 /nfs/dbraw/zinc/95/73/03/522957303.db2.gz PUCQEUOENNXZJZ-UHFFFAOYSA-N 0 0 407.439 5.995 50 0 HKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC000023452234 525536031 /nfs/dbraw/zinc/53/60/31/525536031.db2.gz XVTIZLKDLSXUBK-UHFFFAOYSA-N 0 0 423.516 5.089 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2F)cc1 ZINC000023452306 524015442 /nfs/dbraw/zinc/01/54/42/524015442.db2.gz IIFIIENLLZSOPB-UHFFFAOYSA-N 0 0 422.431 5.266 50 0 HKAARN Cc1ccc(C[C@@H](NC(=O)c2sc3ccccc3c2Cl)c2ccccc2)cc1 ZINC000023452357 524666056 /nfs/dbraw/zinc/66/60/56/524666056.db2.gz XKPBSGZFARURAV-HXUWFJFHSA-N 0 0 405.950 6.577 50 0 HKAARN Cc1ccc(C[C@H](NC(=O)c2sc3ccccc3c2Cl)c2ccccc2)cc1 ZINC000023452360 524684949 /nfs/dbraw/zinc/68/49/49/524684949.db2.gz XKPBSGZFARURAV-FQEVSTJZSA-N 0 0 405.950 6.577 50 0 HKAARN CCOc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1 ZINC000023452419 520821985 /nfs/dbraw/zinc/82/19/85/520821985.db2.gz RBMTWBQQZYSUBN-UHFFFAOYSA-N 0 0 405.450 5.586 50 0 HKAARN COc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccccc1Cl ZINC000023452432 524338996 /nfs/dbraw/zinc/33/89/96/524338996.db2.gz YSPKPZNVXIHYIC-UHFFFAOYSA-N 0 0 420.896 5.641 50 0 HKAARN Cc1cccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)c1 ZINC000023452449 559175818 /nfs/dbraw/zinc/17/58/18/559175818.db2.gz HWRDEMOBGSPHHL-UHFFFAOYSA-N 0 0 421.544 6.003 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)NC[C@H](C)c3ccccc3)c2cc1C ZINC000023452472 559175848 /nfs/dbraw/zinc/17/58/48/559175848.db2.gz WCLGUIOAERUMBN-SFHVURJKSA-N 0 0 400.547 6.114 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)NC[C@@H](C)c3ccccc3)c2cc1C ZINC000023452475 559175831 /nfs/dbraw/zinc/17/58/31/559175831.db2.gz WCLGUIOAERUMBN-GOSISDBHSA-N 0 0 400.547 6.114 50 0 HKAARN O=C(c1ccc(F)cc1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023452486 559175822 /nfs/dbraw/zinc/17/58/22/559175822.db2.gz GOPFICPIVDQTQR-UHFFFAOYSA-N 0 0 417.459 5.459 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(-c3[nH]nc4c3CCCc3ccccc3-4)cc2)c1 ZINC000023452632 559175769 /nfs/dbraw/zinc/17/57/69/559175769.db2.gz JSIUARVFVBCODB-UHFFFAOYSA-N 0 0 423.516 5.171 50 0 HKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc(F)ccc4C)c3)n2)cc1 ZINC000023452676 559175778 /nfs/dbraw/zinc/17/57/78/559175778.db2.gz APYCVQWZYBQHFC-UHFFFAOYSA-N 0 0 412.464 6.124 50 0 HKAARN COc1ccc(-c2ccnc(SCc3csc(Cc4ccc(C)cc4)n3)n2)cc1 ZINC000023452801 559175856 /nfs/dbraw/zinc/17/58/56/559175856.db2.gz AHNDYWYSMMGFIL-UHFFFAOYSA-N 0 0 419.575 5.800 50 0 HKAARN Cc1ccccc1C(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000023452971 559175855 /nfs/dbraw/zinc/17/58/55/559175855.db2.gz QHIXFIMQKQIDGF-UHFFFAOYSA-N 0 0 421.544 6.003 50 0 HKAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(F)c2F)cc1 ZINC000023453085 559175766 /nfs/dbraw/zinc/17/57/66/559175766.db2.gz IWUBRWGAZPZNHP-UHFFFAOYSA-N 0 0 422.431 5.266 50 0 HKAARN CN(C(=O)c1ccc(Cl)cc1)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023453143 559175943 /nfs/dbraw/zinc/17/59/43/559175943.db2.gz AVZHAQRSKYSNTR-UHFFFAOYSA-N 0 0 414.892 6.037 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1)n2Cc1ccccc1 ZINC000023453146 559175941 /nfs/dbraw/zinc/17/59/41/559175941.db2.gz OXDSWXWYBJTUPN-UHFFFAOYSA-N 0 0 420.509 5.693 50 0 HKAARN CCOc1ccc(-c2nc3ccccc3c(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000023453215 559175934 /nfs/dbraw/zinc/17/59/34/559175934.db2.gz GSRYVEHPGFUQPK-UHFFFAOYSA-N 0 0 423.560 6.155 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCCc4ccccc43)cc2)c1 ZINC000023453228 559175932 /nfs/dbraw/zinc/17/59/32/559175932.db2.gz CPSZAVLXVLBASW-AREMUKBSSA-N 0 0 421.544 5.964 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000023453231 559175951 /nfs/dbraw/zinc/17/59/51/559175951.db2.gz CPSZAVLXVLBASW-SANMLTNESA-N 0 0 421.544 5.964 50 0 HKAARN OC[C@@H]1CCCN(c2nc(-c3ccc(Oc4ccccc4)cc3)nc3ccccc32)C1 ZINC000023453322 559175957 /nfs/dbraw/zinc/17/59/57/559175957.db2.gz LUQSKTVIFKWJTG-LJQANCHMSA-N 0 0 411.505 5.298 50 0 HKAARN OC[C@H]1CCCN(c2nc(-c3ccc(Oc4ccccc4)cc3)nc3ccccc32)C1 ZINC000023453326 132481217 /nfs/dbraw/zinc/48/12/17/132481217.db2.gz LUQSKTVIFKWJTG-IBGZPJMESA-N 0 0 411.505 5.298 50 0 HKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000023453394 559175937 /nfs/dbraw/zinc/17/59/37/559175937.db2.gz QFXZDTAAISTNEE-KRWDZBQOSA-N 0 0 423.516 5.342 50 0 HKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000023453395 559175944 /nfs/dbraw/zinc/17/59/44/559175944.db2.gz QFXZDTAAISTNEE-QGZVFWFLSA-N 0 0 423.516 5.342 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4ccc(SC)cc4)oc3c2)c(OC)c1OC ZINC000023453538 559175949 /nfs/dbraw/zinc/17/59/49/559175949.db2.gz CEUFGIZKCWCHCH-UHFFFAOYSA-N 0 0 407.491 5.910 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3ccc(F)c(F)c3)n(-c3ccccc3C)n2)cc1 ZINC000023453555 559175939 /nfs/dbraw/zinc/17/59/39/559175939.db2.gz FGGXHCHGVPUPAD-UHFFFAOYSA-N 0 0 403.432 5.687 50 0 HKAARN CCN(Cc1ccccc1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000023453559 559175956 /nfs/dbraw/zinc/17/59/56/559175956.db2.gz NKQFJNFCMVSDQS-UHFFFAOYSA-N 0 0 418.338 6.086 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1)n2Cc1ccccn1 ZINC000023453561 559175930 /nfs/dbraw/zinc/17/59/30/559175930.db2.gz ZUGRSJBIKNWEDH-UHFFFAOYSA-N 0 0 417.534 5.257 50 0 HKAARN CCOc1c(OC)cccc1-c1nc2ccc(-c3cc(C)c(OC)c(C)c3)cc2o1 ZINC000023453577 559175933 /nfs/dbraw/zinc/17/59/33/559175933.db2.gz FNKJVTTZAPZKBJ-UHFFFAOYSA-N 0 0 403.478 6.195 50 0 HKAARN O=C(c1ccccc1F)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023453595 559175946 /nfs/dbraw/zinc/17/59/46/559175946.db2.gz MMIZUSDZKOHYEU-UHFFFAOYSA-N 0 0 417.459 5.459 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n2Cc1ccccc1 ZINC000023453669 559175948 /nfs/dbraw/zinc/17/59/48/559175948.db2.gz VFZYFDAFELZSDY-UHFFFAOYSA-N 0 0 420.509 5.693 50 0 HKAARN CCOc1cccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1 ZINC000023453714 559175935 /nfs/dbraw/zinc/17/59/35/559175935.db2.gz ZDOWRMQJNOPGAQ-UHFFFAOYSA-N 0 0 405.450 5.586 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000023453789 559175927 /nfs/dbraw/zinc/17/59/27/559175927.db2.gz JKMSMXVMKBZAKV-KRWDZBQOSA-N 0 0 414.480 5.931 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000023453791 559175928 /nfs/dbraw/zinc/17/59/28/559175928.db2.gz JKMSMXVMKBZAKV-QGZVFWFLSA-N 0 0 414.480 5.931 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)ccc1C)n2Cc1ccco1 ZINC000023453823 559175940 /nfs/dbraw/zinc/17/59/40/559175940.db2.gz CMRANZPTKQQMJF-UHFFFAOYSA-N 0 0 424.497 5.594 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(C)c4)[C@H](C)C3)n2)cc1 ZINC000023453909 559175955 /nfs/dbraw/zinc/17/59/55/559175955.db2.gz GSDXQVNQLGOIJA-OAQYLSRUSA-N 0 0 408.549 5.629 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)cc1 ZINC000023453911 559175936 /nfs/dbraw/zinc/17/59/36/559175936.db2.gz GSDXQVNQLGOIJA-NRFANRHFSA-N 0 0 408.549 5.629 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n2Cc1cccc(F)c1 ZINC000023453995 559175931 /nfs/dbraw/zinc/17/59/31/559175931.db2.gz UTBSUNZPOXEVIP-UHFFFAOYSA-N 0 0 420.509 5.693 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C)n2Cc1ccccn1 ZINC000023454016 559175950 /nfs/dbraw/zinc/17/59/50/559175950.db2.gz FUSRKEVECRCVTK-UHFFFAOYSA-N 0 0 417.534 5.257 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000023454026 559175926 /nfs/dbraw/zinc/17/59/26/559175926.db2.gz BJTWRJFGQNEHGY-UHFFFAOYSA-N 0 0 424.519 7.105 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1F)n2Cc1ccco1 ZINC000023454034 559176028 /nfs/dbraw/zinc/17/60/28/559176028.db2.gz SFZPPXRLSJINEY-UHFFFAOYSA-N 0 0 424.497 5.594 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2Cc1ccccc1 ZINC000023454243 559175995 /nfs/dbraw/zinc/17/59/95/559175995.db2.gz PFTFYOSUXQCEQR-UHFFFAOYSA-N 0 0 420.509 5.693 50 0 HKAARN Cc1cc(C(=O)N(C)c2ccc(-c3onc4c3CCc3ccccc3-4)cc2)ccc1F ZINC000023454283 559176030 /nfs/dbraw/zinc/17/60/30/559176030.db2.gz LBFKSHJWIJXFRM-UHFFFAOYSA-N 0 0 412.464 5.831 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1C ZINC000023454295 559176009 /nfs/dbraw/zinc/17/60/09/559176009.db2.gz LQGSACJSBXDTHE-UHFFFAOYSA-N 0 0 405.450 5.505 50 0 HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc2c(c1)OCO2 ZINC000023454299 559176041 /nfs/dbraw/zinc/17/60/41/559176041.db2.gz WMEHSZACLRSDTH-UHFFFAOYSA-N 0 0 412.420 5.536 50 0 HKAARN CCOc1c(OC)cccc1-c1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2o1 ZINC000023454477 559176019 /nfs/dbraw/zinc/17/60/19/559176019.db2.gz LBMCKYIWKJGNFA-UHFFFAOYSA-N 0 0 413.395 6.588 50 0 HKAARN Clc1ccc(Cc2nc(CSc3nc4ccccc4s3)cs2)cc1Cl ZINC000023454525 559176022 /nfs/dbraw/zinc/17/60/22/559176022.db2.gz IKLYEAJROVMTSU-UHFFFAOYSA-N 0 0 423.415 6.943 50 0 HKAARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000023454589 559175987 /nfs/dbraw/zinc/17/59/87/559175987.db2.gz UWJJLACYELALQP-UHFFFAOYSA-N 0 0 416.496 6.336 50 0 HKAARN CC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1 ZINC000023454651 559175997 /nfs/dbraw/zinc/17/59/97/559175997.db2.gz OXTMBCNBDVFBRR-HXUWFJFHSA-N 0 0 415.924 6.325 50 0 HKAARN CC[C@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1 ZINC000023454653 559176043 /nfs/dbraw/zinc/17/60/43/559176043.db2.gz OXTMBCNBDVFBRR-FQEVSTJZSA-N 0 0 415.924 6.325 50 0 HKAARN COc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1cc(F)ccc1F ZINC000023454655 559176011 /nfs/dbraw/zinc/17/60/11/559176011.db2.gz RECXNTMCUZGWMV-UHFFFAOYSA-N 0 0 422.431 5.266 50 0 HKAARN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000023454663 559176039 /nfs/dbraw/zinc/17/60/39/559176039.db2.gz VJBLDJQJGURSGF-UHFFFAOYSA-N 0 0 415.924 6.370 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1cc(Cl)ccc1F ZINC000023454745 559176024 /nfs/dbraw/zinc/17/60/24/559176024.db2.gz SSKQUORERCQPBE-UHFFFAOYSA-N 0 0 409.823 5.723 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c(C)c1 ZINC000023454753 559176037 /nfs/dbraw/zinc/17/60/37/559176037.db2.gz UCVMYYGAXKXXKF-UHFFFAOYSA-N 0 0 405.450 5.505 50 0 HKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000023454857 559176004 /nfs/dbraw/zinc/17/60/04/559176004.db2.gz VYOSLUONNLLJBI-UHFFFAOYSA-N 0 0 420.512 6.018 50 0 HKAARN FC(F)(F)c1ccc(-c2nc(CSc3nc4ccccc4s3)cs2)cc1 ZINC000023454866 559175992 /nfs/dbraw/zinc/17/59/92/559175992.db2.gz LZTMSQDHUWHACE-UHFFFAOYSA-N 0 0 408.495 6.731 50 0 HKAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n2Cc1ccccn1 ZINC000023454885 559176017 /nfs/dbraw/zinc/17/60/17/559176017.db2.gz QTVWOYHOJSMHBW-UHFFFAOYSA-N 0 0 421.497 5.088 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023454922 559176013 /nfs/dbraw/zinc/17/60/13/559176013.db2.gz NDHOJVOZENPERV-MHZLTWQESA-N 0 0 407.488 6.281 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023454925 559176035 /nfs/dbraw/zinc/17/60/35/559176035.db2.gz NDHOJVOZENPERV-HHHXNRCGSA-N 0 0 407.488 6.281 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4cc(C)c(C)cc4C)oc3c2)c(OC)c1OC ZINC000023454931 559176001 /nfs/dbraw/zinc/17/60/01/559176001.db2.gz STOXINZXAUNMJT-UHFFFAOYSA-N 0 0 403.478 6.113 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)c3ccccc3n2)cc1 ZINC000023454943 559175990 /nfs/dbraw/zinc/17/59/90/559175990.db2.gz JXENNPLAAYKWGV-RUZDIDTESA-N 0 0 408.501 5.718 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3ccccc3n2)cc1 ZINC000023454946 559175999 /nfs/dbraw/zinc/17/59/99/559175999.db2.gz JXENNPLAAYKWGV-VWLOTQADSA-N 0 0 408.501 5.718 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1cccc(Cl)c1F ZINC000023454989 559176002 /nfs/dbraw/zinc/17/60/02/559176002.db2.gz FORZOWDPUJRUPF-UHFFFAOYSA-N 0 0 409.823 5.723 50 0 HKAARN COc1cc(F)c(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)cc1OC ZINC000023455018 559175983 /nfs/dbraw/zinc/17/59/83/559175983.db2.gz OXAKAXZFVZBWDJ-UHFFFAOYSA-N 0 0 407.441 5.944 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)NCc3cccc(F)c3F)c3ccccc3n2)cc1 ZINC000023455268 559176118 /nfs/dbraw/zinc/17/61/18/559176118.db2.gz OKSNDDYGQUCDBA-UHFFFAOYSA-N 0 0 418.443 5.509 50 0 HKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000023455334 559176104 /nfs/dbraw/zinc/17/61/04/559176104.db2.gz ARYXJCVBIYIBII-UHFFFAOYSA-N 0 0 409.823 5.723 50 0 HKAARN COc1cccc(CNC(=O)c2cc(-c3cccs3)nc3cc(C)c(C)cc32)c1 ZINC000023455420 559176127 /nfs/dbraw/zinc/17/61/27/559176127.db2.gz LKFKJHXKBIRFNQ-UHFFFAOYSA-N 0 0 402.519 5.519 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023455451 559176107 /nfs/dbraw/zinc/17/61/07/559176107.db2.gz XJRZQTNAWOSQGE-UHFFFAOYSA-N 0 0 417.896 5.762 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(C)c2)cc1 ZINC000023455472 559176116 /nfs/dbraw/zinc/17/61/16/559176116.db2.gz VXNYQJVCFFNSFN-UHFFFAOYSA-N 0 0 417.896 5.762 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023455605 559176106 /nfs/dbraw/zinc/17/61/06/559176106.db2.gz PNXOAQVZOIVYNT-UHFFFAOYSA-N 0 0 422.315 6.407 50 0 HKAARN O=C(NCc1cccc(OC(F)F)c1)c1sc2ccc3ccccc3c2c1Cl ZINC000023455706 559176128 /nfs/dbraw/zinc/17/61/28/559176128.db2.gz JWOPBUQPOKHGET-UHFFFAOYSA-N 0 0 417.864 6.239 50 0 HKAARN CCCOc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1 ZINC000023455786 559176114 /nfs/dbraw/zinc/17/61/14/559176114.db2.gz ZVWYLWJTGKBDHX-UHFFFAOYSA-N 0 0 419.477 5.976 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000023455825 559176111 /nfs/dbraw/zinc/17/61/11/559176111.db2.gz WLOMFPBHODBABF-CQSZACIVSA-N 0 0 424.422 6.313 50 0 HKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023455828 559176110 /nfs/dbraw/zinc/17/61/10/559176110.db2.gz WLOMFPBHODBABF-AWEZNQCLSA-N 0 0 424.422 6.313 50 0 HKAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(c4ccc(F)cc4F)CC3)n2)cc1 ZINC000023455941 559176113 /nfs/dbraw/zinc/17/61/13/559176113.db2.gz VBXKJUXFABUZLP-UHFFFAOYSA-N 0 0 416.475 5.210 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1F ZINC000023456133 559176112 /nfs/dbraw/zinc/17/61/12/559176112.db2.gz VUPNGHCGXRALLU-UHFFFAOYSA-N 0 0 409.413 5.335 50 0 HKAARN CN(C(=O)c1sc2ccccc2c1Cl)c1ccc(-c2onc3c2CCC3)cc1 ZINC000023456219 559176131 /nfs/dbraw/zinc/17/61/31/559176131.db2.gz AKNVRFTYFWRPCV-UHFFFAOYSA-N 0 0 408.910 5.975 50 0 HKAARN COc1cc(F)c(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc1OC ZINC000023456290 559176123 /nfs/dbraw/zinc/17/61/23/559176123.db2.gz ZIOVTQVFDYBDBE-UHFFFAOYSA-N 0 0 417.358 6.337 50 0 HKAARN O=C(c1ccc(-c2cccc(Cl)c2)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000023456314 559176102 /nfs/dbraw/zinc/17/61/02/559176102.db2.gz MRILWJVADOHVJQ-UHFFFAOYSA-N 0 0 417.961 6.911 50 0 HKAARN CN(C(=O)c1cc(F)cc(F)c1)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023456387 559176121 /nfs/dbraw/zinc/17/61/21/559176121.db2.gz BQPOORPAGTYQND-UHFFFAOYSA-N 0 0 416.427 5.662 50 0 HKAARN Cc1cc(C)cc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1 ZINC000023456462 559176122 /nfs/dbraw/zinc/17/61/22/559176122.db2.gz XMICYYSPVKNRIF-UHFFFAOYSA-N 0 0 410.473 5.177 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4ccc(F)c(OC)c4)oc3c2)c(OC)c1OC ZINC000023456484 559176125 /nfs/dbraw/zinc/17/61/25/559176125.db2.gz CNXFGVJDZSWOOS-UHFFFAOYSA-N 0 0 409.413 5.335 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023456546 559176126 /nfs/dbraw/zinc/17/61/26/559176126.db2.gz CTTYZNNPYIYLGM-HHHXNRCGSA-N 0 0 407.488 6.281 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023456549 559176115 /nfs/dbraw/zinc/17/61/15/559176115.db2.gz CTTYZNNPYIYLGM-MHZLTWQESA-N 0 0 407.488 6.281 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)cc2)cc1 ZINC000023456628 559176119 /nfs/dbraw/zinc/17/61/19/559176119.db2.gz PGIHJRKSBJSWSL-UHFFFAOYSA-N 0 0 421.859 5.593 50 0 HKAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023456649 559176207 /nfs/dbraw/zinc/17/62/07/559176207.db2.gz XIZWULUEFHXHFW-UHFFFAOYSA-N 0 0 415.514 5.612 50 0 HKAARN CCN(Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000023456790 558558770 /nfs/dbraw/zinc/55/87/70/558558770.db2.gz FCEMNHRJUIBNOM-UHFFFAOYSA-N 0 0 407.439 6.342 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023457062 559176193 /nfs/dbraw/zinc/17/61/93/559176193.db2.gz VDBCEYQQZWMXPZ-UHFFFAOYSA-N 0 0 421.859 5.593 50 0 HKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(F)c2)cc1 ZINC000023457199 559176223 /nfs/dbraw/zinc/17/62/23/559176223.db2.gz DJLAGVCTCZQDIX-UHFFFAOYSA-N 0 0 421.859 5.593 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4cc(Cl)ccc4O)oc3c2)c(OC)c1OC ZINC000023457336 559176213 /nfs/dbraw/zinc/17/62/13/559176213.db2.gz QYNBFANUAGGJLP-UHFFFAOYSA-N 0 0 411.841 5.547 50 0 HKAARN COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000023457340 559176268 /nfs/dbraw/zinc/17/62/68/559176268.db2.gz HRFHCHUWSJGMKA-UHFFFAOYSA-N 0 0 421.859 5.593 50 0 HKAARN CN(C(=O)c1c(F)cccc1F)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023457606 559176205 /nfs/dbraw/zinc/17/62/05/559176205.db2.gz YSPQNEKFWJIVIW-UHFFFAOYSA-N 0 0 416.427 5.662 50 0 HKAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N2Cc3ccccc3C2)cc1 ZINC000023457626 559176189 /nfs/dbraw/zinc/17/61/89/559176189.db2.gz ROKOZCWTHXSXCZ-UHFFFAOYSA-N 0 0 421.500 5.007 50 0 HKAARN COc1ccc(F)c(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1 ZINC000023457647 559176201 /nfs/dbraw/zinc/17/62/01/559176201.db2.gz BONRSCIRWVMKGT-UHFFFAOYSA-N 0 0 409.413 5.335 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3ccc(F)c(F)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023457723 559176234 /nfs/dbraw/zinc/17/62/34/559176234.db2.gz AXTYYACIGWWMRQ-UHFFFAOYSA-N 0 0 419.431 5.387 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)cc1 ZINC000023457743 559176199 /nfs/dbraw/zinc/17/61/99/559176199.db2.gz QOMGOIJYBSIHTR-UHFFFAOYSA-N 0 0 421.422 6.119 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc12 ZINC000023457830 559176243 /nfs/dbraw/zinc/17/62/43/559176243.db2.gz VJEDLFNOBUQQDC-UHFFFAOYSA-N 0 0 406.485 5.468 50 0 HKAARN COc1ccc(F)cc1-c1nc2ccc(-c3ccc(OC)c(OC)c3OC)cc2o1 ZINC000023458070 559176203 /nfs/dbraw/zinc/17/62/03/559176203.db2.gz FIFPPXOUFXVXSY-UHFFFAOYSA-N 0 0 409.413 5.335 50 0 HKAARN CCC[C@@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023458220 559175569 /nfs/dbraw/zinc/17/55/69/559175569.db2.gz VWLUWZWCEUECDC-MRXNPFEDSA-N 0 0 404.539 5.127 50 0 HKAARN CCC[C@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023458223 559175558 /nfs/dbraw/zinc/17/55/58/559175558.db2.gz VWLUWZWCEUECDC-INIZCTEOSA-N 0 0 404.539 5.127 50 0 HKAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl ZINC000023458291 559175610 /nfs/dbraw/zinc/17/56/10/559175610.db2.gz YZNCXMPYVDSSDP-UHFFFAOYSA-N 0 0 417.896 5.844 50 0 HKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc2ccccc21 ZINC000023458490 559175632 /nfs/dbraw/zinc/17/56/32/559175632.db2.gz DYLLFKOUURYLND-UHFFFAOYSA-N 0 0 415.514 5.921 50 0 HKAARN CCOc1ccccc1C(=O)N(C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000023458510 559175594 /nfs/dbraw/zinc/17/55/94/559175594.db2.gz BVVPEEHCINBPLV-UHFFFAOYSA-N 0 0 424.500 5.783 50 0 HKAARN O=C(c1ccc(-c2ccc(F)c(F)c2)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000023458620 559175619 /nfs/dbraw/zinc/17/56/19/559175619.db2.gz VBUMBPXUWRUCRR-UHFFFAOYSA-N 0 0 419.496 6.536 50 0 HKAARN C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)c1ccc(F)cc1 ZINC000023458681 559175589 /nfs/dbraw/zinc/17/55/89/559175589.db2.gz XAWYGEYFQDVMOE-OAHLLOKOSA-N 0 0 414.436 5.261 50 0 HKAARN C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)c1ccc(F)cc1 ZINC000023458684 559175615 /nfs/dbraw/zinc/17/56/15/559175615.db2.gz XAWYGEYFQDVMOE-HNNXBMFYSA-N 0 0 414.436 5.261 50 0 HKAARN CCC(CC)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023458759 559175630 /nfs/dbraw/zinc/17/56/30/559175630.db2.gz RPRQJZGDVBHXJN-UHFFFAOYSA-N 0 0 404.539 5.127 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000023458822 559175602 /nfs/dbraw/zinc/17/56/02/559175602.db2.gz KPMKVGXZBKWKRH-UHFFFAOYSA-N 0 0 422.484 5.748 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)NCc3cccc(F)c3F)c2cc1C ZINC000023458904 559175608 /nfs/dbraw/zinc/17/56/08/559175608.db2.gz PXGOGBNXVZIABJ-UHFFFAOYSA-N 0 0 408.473 5.788 50 0 HKAARN Fc1ccc(N2CCN(c3nc(-c4ccccc4F)nc4ccccc43)CC2)c(F)c1 ZINC000023458975 559175611 /nfs/dbraw/zinc/17/56/11/559175611.db2.gz ZLFZUFDEVPDIMN-UHFFFAOYSA-N 0 0 420.438 5.041 50 0 HKAARN CCCCN(C)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023459059 559175634 /nfs/dbraw/zinc/17/56/34/559175634.db2.gz KYSGWOAQQBGSKA-UHFFFAOYSA-N 0 0 404.539 5.080 50 0 HKAARN COc1cc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)cc(OC)c1OC ZINC000023459088 559175579 /nfs/dbraw/zinc/17/55/79/559175579.db2.gz FNEVRZNLWSNEKN-UHFFFAOYSA-N 0 0 419.477 5.813 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023459304 559175629 /nfs/dbraw/zinc/17/56/29/559175629.db2.gz GFBHPCODDVUHLH-MHZLTWQESA-N 0 0 423.943 6.795 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023459307 559175621 /nfs/dbraw/zinc/17/56/21/559175621.db2.gz GFBHPCODDVUHLH-HHHXNRCGSA-N 0 0 423.943 6.795 50 0 HKAARN COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)c4ccccc4C)c3)n2)c1 ZINC000023459506 559175606 /nfs/dbraw/zinc/17/56/06/559175606.db2.gz BJZMDJLZHUCMHI-UHFFFAOYSA-N 0 0 424.500 5.994 50 0 HKAARN Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cc(Cl)ccc2Cl)c1 ZINC000023459515 559175613 /nfs/dbraw/zinc/17/56/13/559175613.db2.gz PIRIXMKGSBCGEQ-UHFFFAOYSA-N 0 0 422.315 6.407 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4cc(F)c(F)c(F)c4)oc3c2)c(OC)c1OC ZINC000023459618 559175627 /nfs/dbraw/zinc/17/56/27/559175627.db2.gz JFWHMURFTKKUQZ-UHFFFAOYSA-N 0 0 415.367 5.605 50 0 HKAARN Cc1ccc(C[C@@H](NC(=O)c2sc3cc(F)ccc3c2Cl)c2ccccc2)cc1 ZINC000023459633 559175599 /nfs/dbraw/zinc/17/55/99/559175599.db2.gz QNYHCOGWCXHFDF-HXUWFJFHSA-N 0 0 423.940 6.716 50 0 HKAARN Cc1ccc(C[C@H](NC(=O)c2sc3cc(F)ccc3c2Cl)c2ccccc2)cc1 ZINC000023459636 559175584 /nfs/dbraw/zinc/17/55/84/559175584.db2.gz QNYHCOGWCXHFDF-FQEVSTJZSA-N 0 0 423.940 6.716 50 0 HKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cnc3ccccc3c2)cc1 ZINC000023459684 559175617 /nfs/dbraw/zinc/17/56/17/559175617.db2.gz CBZHGTWHEFYNHF-GOSISDBHSA-N 0 0 405.501 6.114 50 0 HKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cnc3ccccc3c2)cc1 ZINC000023459687 559175600 /nfs/dbraw/zinc/17/56/00/559175600.db2.gz CBZHGTWHEFYNHF-SFHVURJKSA-N 0 0 405.501 6.114 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3ccccc3C(F)(F)F)n(-c3ccccc3)n2)cc1 ZINC000023459798 559175742 /nfs/dbraw/zinc/17/57/42/559175742.db2.gz GKMJFIKHJOBYAV-UHFFFAOYSA-N 0 0 421.422 6.119 50 0 HKAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@@H](C)c3cccc4ccccc43)cc1CC2 ZINC000023459929 559175732 /nfs/dbraw/zinc/17/57/32/559175732.db2.gz RSQAXDHQAWRCBB-INIZCTEOSA-N 0 0 413.542 6.167 50 0 HKAARN COc1ccc2c(c1)-c1sc(C(=O)N[C@H](C)c3cccc4ccccc43)cc1CC2 ZINC000023459931 559175744 /nfs/dbraw/zinc/17/57/44/559175744.db2.gz RSQAXDHQAWRCBB-MRXNPFEDSA-N 0 0 413.542 6.167 50 0 HKAARN COc1cc(OC)c(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)cc1OC ZINC000023459953 559175737 /nfs/dbraw/zinc/17/57/37/559175737.db2.gz YSKHZJMUABXEHW-UHFFFAOYSA-N 0 0 419.477 5.813 50 0 HKAARN COc1ccc2c(c1)-c1sc(C(=O)N(C)Cc3cccc4ccccc43)cc1CC2 ZINC000023459986 559175734 /nfs/dbraw/zinc/17/57/34/559175734.db2.gz YJXGYWHDJSVWFY-UHFFFAOYSA-N 0 0 413.542 5.948 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)c(OC)c1OC ZINC000023460229 559175721 /nfs/dbraw/zinc/17/57/21/559175721.db2.gz ZDWDIADCODEHPN-UHFFFAOYSA-N 0 0 419.477 5.813 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4ccc(F)c(F)c4F)oc3c2)c(OC)c1OC ZINC000023460375 559175725 /nfs/dbraw/zinc/17/57/25/559175725.db2.gz DVCIGXCGTCTDMI-UHFFFAOYSA-N 0 0 415.367 5.605 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1OC ZINC000023460382 559175714 /nfs/dbraw/zinc/17/57/14/559175714.db2.gz AJFROCKPTIRVTE-UHFFFAOYSA-N 0 0 421.449 5.205 50 0 HKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c(C)c1C ZINC000023460644 559175723 /nfs/dbraw/zinc/17/57/23/559175723.db2.gz LOSXJCRNPGCGNS-UHFFFAOYSA-N 0 0 419.477 5.813 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4cc(F)cc(F)c4F)oc3c2)c(OC)c1OC ZINC000023460723 559175745 /nfs/dbraw/zinc/17/57/45/559175745.db2.gz OZSGUPXAFSDWHG-UHFFFAOYSA-N 0 0 415.367 5.605 50 0 HKAARN COc1cc(OC)cc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1 ZINC000023460962 559175750 /nfs/dbraw/zinc/17/57/50/559175750.db2.gz HDLROGAJISLYBX-UHFFFAOYSA-N 0 0 421.449 5.205 50 0 HKAARN CCOc1cccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1O ZINC000023461096 559175704 /nfs/dbraw/zinc/17/57/04/559175704.db2.gz ZJVSLCIGDOJWSH-UHFFFAOYSA-N 0 0 421.449 5.292 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000023461167 559175743 /nfs/dbraw/zinc/17/57/43/559175743.db2.gz XCCDVEHRUJHBHR-SANMLTNESA-N 0 0 408.501 5.746 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000023461170 559175740 /nfs/dbraw/zinc/17/57/40/559175740.db2.gz XCCDVEHRUJHBHR-AREMUKBSSA-N 0 0 408.501 5.746 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023461236 559175698 /nfs/dbraw/zinc/17/56/98/559175698.db2.gz PGDIGTHVLWIVSQ-HHHXNRCGSA-N 0 0 423.943 6.795 50 0 HKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023461239 559175738 /nfs/dbraw/zinc/17/57/38/559175738.db2.gz PGDIGTHVLWIVSQ-MHZLTWQESA-N 0 0 423.943 6.795 50 0 HKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1c2c(nc3ccccc31)CCC2 ZINC000023461316 559175752 /nfs/dbraw/zinc/17/57/52/559175752.db2.gz FZJFARAIWVFGSU-UHFFFAOYSA-N 0 0 420.969 5.948 50 0 HKAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cccc3ccccc32)cc1 ZINC000023461441 559175749 /nfs/dbraw/zinc/17/57/49/559175749.db2.gz KHZCGLNDGNFGDB-LJQANCHMSA-N 0 0 404.513 6.719 50 0 HKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3nc2-c2cccc3ccccc32)cc1 ZINC000023461444 559175746 /nfs/dbraw/zinc/17/57/46/559175746.db2.gz KHZCGLNDGNFGDB-IBGZPJMESA-N 0 0 404.513 6.719 50 0 HKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)NCc3ccc(F)c(Cl)c3)c2cc1C ZINC000023461721 559175747 /nfs/dbraw/zinc/17/57/47/559175747.db2.gz IKDYCZUGLDJXEW-UHFFFAOYSA-N 0 0 424.928 6.303 50 0 HKAARN CC(C)C[C@@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023461769 559175755 /nfs/dbraw/zinc/17/57/55/559175755.db2.gz CVRYFHGDPNCXOH-QGZVFWFLSA-N 0 0 418.566 5.373 50 0 HKAARN CC(C)C[C@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023461772 559175754 /nfs/dbraw/zinc/17/57/54/559175754.db2.gz CVRYFHGDPNCXOH-KRWDZBQOSA-N 0 0 418.566 5.373 50 0 HKAARN COc1ccc(OC)c(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1 ZINC000023461912 559175717 /nfs/dbraw/zinc/17/57/17/559175717.db2.gz ORXQOFNCTPTJMO-UHFFFAOYSA-N 0 0 421.449 5.205 50 0 HKAARN CCC[C@@H](C)NC(=O)c1cc(C)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2n1 ZINC000023462179 559175753 /nfs/dbraw/zinc/17/57/53/559175753.db2.gz QJTYJGHNZMJYPS-QGZVFWFLSA-N 0 0 416.500 5.453 50 0 HKAARN CCC[C@H](C)NC(=O)c1cc(C)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2n1 ZINC000023462182 559175751 /nfs/dbraw/zinc/17/57/51/559175751.db2.gz QJTYJGHNZMJYPS-KRWDZBQOSA-N 0 0 416.500 5.453 50 0 HKAARN COc1cccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1OC ZINC000023462188 559175748 /nfs/dbraw/zinc/17/57/48/559175748.db2.gz MAGJOXLOJYWTCK-UHFFFAOYSA-N 0 0 421.449 5.205 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)o1 ZINC000023462368 559175709 /nfs/dbraw/zinc/17/57/09/559175709.db2.gz YOGCWRUGIWIMKA-UHFFFAOYSA-N 0 0 407.473 5.728 50 0 HKAARN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023462516 559175814 /nfs/dbraw/zinc/17/58/14/559175814.db2.gz YRXCLQXDLCXTPW-UHFFFAOYSA-N 0 0 403.485 5.827 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023462588 559175820 /nfs/dbraw/zinc/17/58/20/559175820.db2.gz JLZLWZRGNKXLHC-VWLOTQADSA-N 0 0 412.464 5.577 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023462591 559175801 /nfs/dbraw/zinc/17/58/01/559175801.db2.gz JLZLWZRGNKXLHC-RUZDIDTESA-N 0 0 412.464 5.577 50 0 HKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000023467641 558558969 /nfs/dbraw/zinc/55/89/69/558558969.db2.gz SOOXDUICTSBYRM-GAJHUEQPSA-N 0 0 424.466 6.293 50 0 HKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000023467643 558558904 /nfs/dbraw/zinc/55/89/04/558558904.db2.gz SOOXDUICTSBYRM-UZUQRXQVSA-N 0 0 424.466 6.293 50 0 HKAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000023467646 558558898 /nfs/dbraw/zinc/55/88/98/558558898.db2.gz SOOXDUICTSBYRM-SBUREZEXSA-N 0 0 424.466 6.293 50 0 HKAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000023467649 558558934 /nfs/dbraw/zinc/55/89/34/558558934.db2.gz SOOXDUICTSBYRM-HXOBKFHXSA-N 0 0 424.466 6.293 50 0 HKAARN CCCCc1ccc(N2C(=O)c3cccc4c(NCCCOC)ccc(c43)C2=O)cc1 ZINC000023477792 558559475 /nfs/dbraw/zinc/55/94/75/558559475.db2.gz DBHJGUJLJIMHNT-UHFFFAOYSA-N 0 0 416.521 5.431 50 0 HKAARN Clc1cc2c(cc1[C@@H]1CCN(Cc3cccnc3)c3ccccc3S1)OCO2 ZINC000023478573 558559493 /nfs/dbraw/zinc/55/94/93/558559493.db2.gz UPLPRNQCQDDTNA-NRFANRHFSA-N 0 0 410.926 5.707 50 0 HKAARN Clc1cc2c(cc1[C@H]1CCN(Cc3cccnc3)c3ccccc3S1)OCO2 ZINC000023478575 558559512 /nfs/dbraw/zinc/55/95/12/558559512.db2.gz UPLPRNQCQDDTNA-OAQYLSRUSA-N 0 0 410.926 5.707 50 0 HKAARN COc1ccc(CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC ZINC000023492954 558559938 /nfs/dbraw/zinc/55/99/38/558559938.db2.gz KRUKBDOQDZQKPF-UHFFFAOYSA-N 0 0 421.562 5.185 50 0 HKAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023500048 558560197 /nfs/dbraw/zinc/56/01/97/558560197.db2.gz OVHSUOFXQNHDLM-UHFFFAOYSA-N 0 0 424.909 5.076 50 0 HKAARN O=C(c1cc2c(nc3sccn23)s1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023500082 559176495 /nfs/dbraw/zinc/17/64/95/559176495.db2.gz WYSMUOKZTZEBBJ-UHFFFAOYSA-N 0 0 424.576 5.240 50 0 HKAARN Cc1nc(C2(NC(=O)CSC(c3ccccc3)c3ccccc3)CCCCC2)no1 ZINC000023508017 558560443 /nfs/dbraw/zinc/56/04/43/558560443.db2.gz JLCMMFPQDYLYEJ-UHFFFAOYSA-N 0 0 421.566 5.176 50 0 HKAARN COc1c(Br)cc(F)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000023512910 558560768 /nfs/dbraw/zinc/56/07/68/558560768.db2.gz HQPHSFDWDVAASD-UHFFFAOYSA-N 0 0 418.262 5.013 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4cccc[n+]4[O-])cc3)sc2c1 ZINC000023515362 559176617 /nfs/dbraw/zinc/17/66/17/559176617.db2.gz TZNUCCJIMKAMBF-OAHLLOKOSA-N 0 0 421.547 5.024 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4cccc[n+]4[O-])cc3)sc2c1 ZINC000023515365 559176631 /nfs/dbraw/zinc/17/66/31/559176631.db2.gz TZNUCCJIMKAMBF-HNNXBMFYSA-N 0 0 421.547 5.024 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000023547868 559176864 /nfs/dbraw/zinc/17/68/64/559176864.db2.gz CVVQSWCAEJJFIS-LLVKDONJSA-N 0 0 424.278 5.316 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000023547870 559176850 /nfs/dbraw/zinc/17/68/50/559176850.db2.gz CVVQSWCAEJJFIS-NSHDSACASA-N 0 0 424.278 5.316 50 0 HKAARN CC(=O)N(c1nc(CSc2nc3ccccc3[nH]2)cs1)c1c(C)cc(C)cc1C ZINC000023551828 559176940 /nfs/dbraw/zinc/17/69/40/559176940.db2.gz LUUDMUFYTWVOKN-UHFFFAOYSA-N 0 0 422.579 5.922 50 0 HKAARN C[C@@H](Sc1nc2ccccc2o1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023551868 558562026 /nfs/dbraw/zinc/56/20/26/558562026.db2.gz HRHLXTKSUBEORU-GFCCVEGCSA-N 0 0 405.504 5.646 50 0 HKAARN C[C@H](Sc1nc2ccccc2o1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023551871 558561999 /nfs/dbraw/zinc/56/19/99/558561999.db2.gz HRHLXTKSUBEORU-LBPRGKRZSA-N 0 0 405.504 5.646 50 0 HKAARN Cc1cc(SCC(=O)Nc2ccc(Br)cc2F)nc2ccccc12 ZINC000023561251 558562418 /nfs/dbraw/zinc/56/24/18/558562418.db2.gz DMMNAVHHAXNLHD-UHFFFAOYSA-N 0 0 405.292 5.176 50 0 HKAARN CCCn1c(C)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2cc(OC)ccc21 ZINC000023565204 558562652 /nfs/dbraw/zinc/56/26/52/558562652.db2.gz LIBVSMQGVSEYBI-KRWDZBQOSA-N 0 0 416.525 5.045 50 0 HKAARN CCCn1c(C)c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c2cc(OC)ccc21 ZINC000023565208 558562642 /nfs/dbraw/zinc/56/26/42/558562642.db2.gz LIBVSMQGVSEYBI-QGZVFWFLSA-N 0 0 416.525 5.045 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3Br)ccc2c1 ZINC000023572553 559177166 /nfs/dbraw/zinc/17/71/66/559177166.db2.gz TYMYWUPYHHLXKC-HNNXBMFYSA-N 0 0 412.327 5.373 50 0 HKAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccccc1Br ZINC000023572644 559177182 /nfs/dbraw/zinc/17/71/82/559177182.db2.gz WMBNJVQRRKXART-UHFFFAOYSA-N 0 0 401.329 5.153 50 0 HKAARN CN1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000023607834 558563480 /nfs/dbraw/zinc/56/34/80/558563480.db2.gz IYARRLASVXRVMS-UHFFFAOYSA-N 0 0 417.456 5.069 50 0 HKAARN Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc4ccccc4c3)c2)cs1 ZINC000023644365 558564534 /nfs/dbraw/zinc/56/45/34/558564534.db2.gz JJEMJPYPOUCNKX-UHFFFAOYSA-N 0 0 402.519 5.456 50 0 HKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000023649418 558564931 /nfs/dbraw/zinc/56/49/31/558564931.db2.gz METHFWBVDNEVTA-UHFFFAOYSA-N 0 0 419.912 5.377 50 0 HKAARN CCCOc1c(Br)cc(C(=O)Nc2cccc3cccnc32)cc1OC ZINC000023652052 558564978 /nfs/dbraw/zinc/56/49/78/558564978.db2.gz KRCJBZMDCUMRIB-UHFFFAOYSA-N 0 0 415.287 5.047 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000023659825 558566568 /nfs/dbraw/zinc/56/65/68/558566568.db2.gz OSEGWXPBJFCZTG-XYPWUTKMSA-N 0 0 408.464 5.030 50 0 HKAARN COC(=O)c1ccccc1NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000023679880 558567323 /nfs/dbraw/zinc/56/73/23/558567323.db2.gz XPPCJOZMFABKCE-UHFFFAOYSA-N 0 0 421.305 5.085 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)o2)cc1 ZINC000023680722 559179077 /nfs/dbraw/zinc/17/90/77/559179077.db2.gz LQRAVQXTAFRUIK-UHFFFAOYSA-N 0 0 406.438 5.664 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)cs1 ZINC000023700102 558568548 /nfs/dbraw/zinc/56/85/48/558568548.db2.gz ZXTANVDRQNVLDH-UHFFFAOYSA-N 0 0 423.567 5.322 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Cl)s2)o1 ZINC000023706621 558568760 /nfs/dbraw/zinc/56/87/60/558568760.db2.gz HETUWLBECLIXPI-UHFFFAOYSA-N 0 0 400.891 5.047 50 0 HKAARN CCOc1ccc(Oc2ccccc2NC(=O)CCNC(=O)Nc2ccccc2)cc1 ZINC000023723321 558570951 /nfs/dbraw/zinc/57/09/51/558570951.db2.gz AXAWWWXIWJTZFV-UHFFFAOYSA-N 0 0 419.481 5.028 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc2ccccc2o1 ZINC000023731867 558571625 /nfs/dbraw/zinc/57/16/25/558571625.db2.gz HLAVOLRINVPYLV-UHFFFAOYSA-N 0 0 407.901 5.220 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc2ncsc2c1 ZINC000023731885 558571582 /nfs/dbraw/zinc/57/15/82/558571582.db2.gz RWNYHDCIAIILPI-UHFFFAOYSA-N 0 0 424.957 5.084 50 0 HKAARN Clc1ccc(-c2nc(CSc3nnc(NC4CCCCC4)s3)co2)cc1 ZINC000023761491 558574448 /nfs/dbraw/zinc/57/44/48/558574448.db2.gz SKIINWZKSVLYHN-UHFFFAOYSA-N 0 0 406.964 5.883 50 0 HKAARN CC(C)C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000023762511 558574710 /nfs/dbraw/zinc/57/47/10/558574710.db2.gz QCLFUDXLJNWJEP-HXUWFJFHSA-N 0 0 419.491 5.220 50 0 HKAARN CC(C)C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000023762515 558574723 /nfs/dbraw/zinc/57/47/23/558574723.db2.gz QCLFUDXLJNWJEP-FQEVSTJZSA-N 0 0 419.491 5.220 50 0 HKAARN Cc1csc(SCc2ccc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2)n1 ZINC000023765687 559180961 /nfs/dbraw/zinc/18/09/61/559180961.db2.gz PAMJCTJUBIEKGU-CQSZACIVSA-N 0 0 418.534 5.855 50 0 HKAARN Cc1csc(SCc2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2)n1 ZINC000023765690 559180984 /nfs/dbraw/zinc/18/09/84/559180984.db2.gz PAMJCTJUBIEKGU-AWEZNQCLSA-N 0 0 418.534 5.855 50 0 HKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000023765944 558575426 /nfs/dbraw/zinc/57/54/26/558575426.db2.gz ZLVOGZCKIXKFCJ-CYBMUJFWSA-N 0 0 404.844 5.425 50 0 HKAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000023765947 558575436 /nfs/dbraw/zinc/57/54/36/558575436.db2.gz ZLVOGZCKIXKFCJ-ZDUSSCGKSA-N 0 0 404.844 5.425 50 0 HKAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000023785807 558575620 /nfs/dbraw/zinc/57/56/20/558575620.db2.gz OCWIWBHITKPBQE-UHFFFAOYSA-N 0 0 411.716 5.046 50 0 HKAARN CCN(CC)C(=O)c1cccc(NC(=O)CCCCc2nc3ccccc3s2)c1 ZINC000023793274 559181158 /nfs/dbraw/zinc/18/11/58/559181158.db2.gz BCFZFWJPFOTVCF-UHFFFAOYSA-N 0 0 409.555 5.130 50 0 HKAARN CCCCCCOc1ccc(/C=C2/N=C(c3ccccc3OCC)OC2=O)cc1OC ZINC000023805887 520103567 /nfs/dbraw/zinc/10/35/67/520103567.db2.gz KHBBMDLFYISKIO-CAPFRKAQSA-N 0 0 423.509 5.398 50 0 HKAARN Cc1sc2[nH]c(CN(C)Cc3cccc(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023816599 526891228 /nfs/dbraw/zinc/89/12/28/526891228.db2.gz QXQXYLVQJBDYMF-UHFFFAOYSA-N 0 0 407.514 5.040 50 0 HKAARN Cc1sc2[nH]c(CN(C)Cc3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023818640 558577047 /nfs/dbraw/zinc/57/70/47/558577047.db2.gz TXBMOLFCCSEYLJ-UHFFFAOYSA-N 0 0 403.551 5.209 50 0 HKAARN Cc1sc2nc([C@@H](C)N3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2c1C ZINC000023828695 558577260 /nfs/dbraw/zinc/57/72/60/558577260.db2.gz GOLFUVVMWJGGDR-CYBMUJFWSA-N 0 0 424.595 5.152 50 0 HKAARN Cc1sc2nc([C@H](C)N3CCC(c4nc5ccccc5s4)CC3)[nH]c(=O)c2c1C ZINC000023828698 558577483 /nfs/dbraw/zinc/57/74/83/558577483.db2.gz GOLFUVVMWJGGDR-ZDUSSCGKSA-N 0 0 424.595 5.152 50 0 HKAARN Cc1ccccc1Nc1nn(CN(C)Cc2nc3ccccc3s2)c(=S)s1 ZINC000023850683 558578007 /nfs/dbraw/zinc/57/80/07/558578007.db2.gz OIUZOKMPBJDBDO-UHFFFAOYSA-N 0 0 413.597 5.425 50 0 HKAARN O=C1c2cccc3cccc(c23)N1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855510 558578029 /nfs/dbraw/zinc/57/80/29/558578029.db2.gz AQVSHKQPFTZPKJ-JOCHJYFZSA-N 0 0 402.544 5.528 50 0 HKAARN O=C1c2cccc3cccc(c23)N1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000023855512 558577875 /nfs/dbraw/zinc/57/78/75/558577875.db2.gz AQVSHKQPFTZPKJ-QFIPXVFZSA-N 0 0 402.544 5.528 50 0 HKAARN S=c1n(-c2ccccc2)cnn1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855520 558578015 /nfs/dbraw/zinc/57/80/15/558578015.db2.gz NDDFKRGBKUYPSN-LJQANCHMSA-N 0 0 410.593 5.131 50 0 HKAARN S=c1n(-c2ccccc2)cnn1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000023855522 558577992 /nfs/dbraw/zinc/57/79/92/558577992.db2.gz NDDFKRGBKUYPSN-IBGZPJMESA-N 0 0 410.593 5.131 50 0 HKAARN CCn1c(=S)n(CN2CCc3sccc3[C@@H]2c2cccs2)nc1C1CC1 ZINC000023855769 558578170 /nfs/dbraw/zinc/57/81/70/558578170.db2.gz HCJBFCGAPZDEDK-QGZVFWFLSA-N 0 0 402.614 5.040 50 0 HKAARN CCn1c(=S)n(CN2CCc3sccc3[C@H]2c2cccs2)nc1C1CC1 ZINC000023855771 558578138 /nfs/dbraw/zinc/57/81/38/558578138.db2.gz HCJBFCGAPZDEDK-KRWDZBQOSA-N 0 0 402.614 5.040 50 0 HKAARN COc1ccc(NC(=O)c2ccc(CN(Cc3ccco3)CC(F)(F)F)cc2)cc1 ZINC000023866996 558578667 /nfs/dbraw/zinc/57/86/67/558578667.db2.gz BQAXGURXMWOEMK-UHFFFAOYSA-N 0 0 418.415 5.105 50 0 HKAARN Clc1ccc(-c2nc(CSc3nnc(Nc4ccccc4)s3)cs2)cc1 ZINC000023882782 558580090 /nfs/dbraw/zinc/58/00/90/558580090.db2.gz XBRKHPLLRIVBPW-UHFFFAOYSA-N 0 0 416.984 6.351 50 0 HKAARN O=C(CSCc1csc(-c2ccccc2)n1)Nc1ccc(Br)cc1 ZINC000023885929 558580673 /nfs/dbraw/zinc/58/06/73/558580673.db2.gz YFIQTQNKGHJRFG-UHFFFAOYSA-N 0 0 419.369 5.445 50 0 HKAARN Cc1oc(-c2cccs2)nc1CS[C@H](C)C(=O)NCc1ccccc1Cl ZINC000023886047 558580702 /nfs/dbraw/zinc/58/07/02/558580702.db2.gz WTTFVOWUKJRCPY-CYBMUJFWSA-N 0 0 406.960 5.303 50 0 HKAARN Cc1oc(-c2cccs2)nc1CS[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000023886050 558580648 /nfs/dbraw/zinc/58/06/48/558580648.db2.gz WTTFVOWUKJRCPY-ZDUSSCGKSA-N 0 0 406.960 5.303 50 0 HKAARN O=C(NC1CCCCCC1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000023908034 558580844 /nfs/dbraw/zinc/58/08/44/558580844.db2.gz LTBHYEIQWJQFPV-UHFFFAOYSA-N 0 0 413.565 5.246 50 0 HKAARN COc1ccc(-c2nc(CN3CCc4sccc4[C@@H]3C3CC3)cs2)cc1OC ZINC000023936534 558581943 /nfs/dbraw/zinc/58/19/43/558581943.db2.gz GWVAYIUKRGMAJM-NRFANRHFSA-N 0 0 412.580 5.398 50 0 HKAARN COc1ccc(-c2nc(CN3CCc4sccc4[C@H]3C3CC3)cs2)cc1OC ZINC000023936537 558581879 /nfs/dbraw/zinc/58/18/79/558581879.db2.gz GWVAYIUKRGMAJM-OAQYLSRUSA-N 0 0 412.580 5.398 50 0 HKAARN O=c1nc(CN2CCc3sccc3[C@@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955955 558582409 /nfs/dbraw/zinc/58/24/09/558582409.db2.gz FPUSUTWZNNIZMY-NRFANRHFSA-N 0 0 419.575 5.223 50 0 HKAARN O=c1nc(CN2CCc3sccc3[C@H]2C2CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000023955957 558582348 /nfs/dbraw/zinc/58/23/48/558582348.db2.gz FPUSUTWZNNIZMY-OAQYLSRUSA-N 0 0 419.575 5.223 50 0 HKAARN Cc1sc2[nH]c(CN3CCc4sccc4[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023956245 558582451 /nfs/dbraw/zinc/58/24/51/558582451.db2.gz DEEPDJUQCGWTKK-AWEZNQCLSA-N 0 0 421.591 5.449 50 0 HKAARN Cc1sc2[nH]c(CN3CCc4sccc4[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023956247 558582370 /nfs/dbraw/zinc/58/23/70/558582370.db2.gz DEEPDJUQCGWTKK-CQSZACIVSA-N 0 0 421.591 5.449 50 0 HKAARN Cc1ccc(C)c(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000023956957 559186441 /nfs/dbraw/zinc/18/64/41/559186441.db2.gz RENDRTRRZQZLQY-MRXNPFEDSA-N 0 0 423.582 5.057 50 0 HKAARN Cc1ccc(C)c(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000023956959 559186431 /nfs/dbraw/zinc/18/64/31/559186431.db2.gz RENDRTRRZQZLQY-INIZCTEOSA-N 0 0 423.582 5.057 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 ZINC000023957011 569357662 /nfs/dbraw/zinc/35/76/62/569357662.db2.gz MGVKNTUAEMGVEW-UHFFFAOYSA-N 0 0 420.900 5.127 50 0 HKAARN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000023967984 526581250 /nfs/dbraw/zinc/58/12/50/526581250.db2.gz CKLXTFCOXBHQLI-AREMUKBSSA-N 0 0 423.516 5.009 50 0 HKAARN O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000023967986 526580718 /nfs/dbraw/zinc/58/07/18/526580718.db2.gz CKLXTFCOXBHQLI-SANMLTNESA-N 0 0 423.516 5.009 50 0 HKAARN Clc1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968217 526936536 /nfs/dbraw/zinc/93/65/36/526936536.db2.gz YCDYDLINQPCAPP-QGZVFWFLSA-N 0 0 410.930 5.727 50 0 HKAARN Clc1ccc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023968219 526935871 /nfs/dbraw/zinc/93/58/71/526935871.db2.gz YCDYDLINQPCAPP-KRWDZBQOSA-N 0 0 410.930 5.727 50 0 HKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccnc1N1CCCC1 ZINC000023968563 527312701 /nfs/dbraw/zinc/31/27/01/527312701.db2.gz UNPGCDSURPXHNX-UHFFFAOYSA-N 0 0 400.507 5.211 50 0 HKAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc4ccccc4c3)c2c1C ZINC000023982419 558583302 /nfs/dbraw/zinc/58/33/02/558583302.db2.gz GYUCUXQQPMHLSQ-UHFFFAOYSA-N 0 0 405.523 5.086 50 0 HKAARN CCc1sc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1C ZINC000023982903 558583321 /nfs/dbraw/zinc/58/33/21/558583321.db2.gz WZXZNKQWOBTRJJ-MRXNPFEDSA-N 0 0 424.595 6.006 50 0 HKAARN CCc1sc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1C ZINC000023982906 558583358 /nfs/dbraw/zinc/58/33/58/558583358.db2.gz WZXZNKQWOBTRJJ-INIZCTEOSA-N 0 0 424.595 6.006 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 ZINC000023983782 558583568 /nfs/dbraw/zinc/58/35/68/558583568.db2.gz WYJVZWUORUDPGY-HSZRJFAPSA-N 0 0 422.575 5.523 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 ZINC000023983785 558583550 /nfs/dbraw/zinc/58/35/50/558583550.db2.gz WYJVZWUORUDPGY-QHCPKHFHSA-N 0 0 422.575 5.523 50 0 HKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC(F)F ZINC000023987083 559186944 /nfs/dbraw/zinc/18/69/44/559186944.db2.gz ACCARGKSMANBON-WYMLVPIESA-N 0 0 420.415 5.166 50 0 HKAARN CCc1sc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989994 558583838 /nfs/dbraw/zinc/58/38/38/558583838.db2.gz IAKIGQSZCOIEMI-OAHLLOKOSA-N 0 0 424.595 5.658 50 0 HKAARN CCc1sc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989995 558583818 /nfs/dbraw/zinc/58/38/18/558583818.db2.gz IAKIGQSZCOIEMI-HNNXBMFYSA-N 0 0 424.595 5.658 50 0 HKAARN Cc1cc(NC(=O)[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990081 558583794 /nfs/dbraw/zinc/58/37/94/558583794.db2.gz HQZPESHGXDMVDB-XLIONFOSSA-N 0 0 413.930 5.143 50 0 HKAARN Cc1cc(NC(=O)[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990082 558583763 /nfs/dbraw/zinc/58/37/63/558583763.db2.gz HQZPESHGXDMVDB-YLJYHZDGSA-N 0 0 413.930 5.143 50 0 HKAARN Cc1cc(NC(=O)[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990083 558583841 /nfs/dbraw/zinc/58/38/41/558583841.db2.gz HQZPESHGXDMVDB-PXNSSMCTSA-N 0 0 413.930 5.143 50 0 HKAARN Cc1cc(NC(=O)[C@H](N[C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 ZINC000023990084 558583846 /nfs/dbraw/zinc/58/38/46/558583846.db2.gz HQZPESHGXDMVDB-FXAWDEMLSA-N 0 0 413.930 5.143 50 0 HKAARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc(Cl)sc1Cl ZINC000023990225 559187094 /nfs/dbraw/zinc/18/70/94/559187094.db2.gz IXHARDDSGAAQIS-UHFFFAOYSA-N 0 0 419.333 5.280 50 0 HKAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000023994028 559187243 /nfs/dbraw/zinc/18/72/43/559187243.db2.gz JFPFYLFNUMOUFG-UHFFFAOYSA-N 0 0 403.530 5.510 50 0 HKAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCCCC4)nc32)cc1Cl ZINC000023994040 559187207 /nfs/dbraw/zinc/18/72/07/559187207.db2.gz WJIGRWREUWDMJE-UHFFFAOYSA-N 0 0 409.917 5.204 50 0 HKAARN O=c1[nH]c(CN2CCc3sccc3[C@@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000023995533 558584279 /nfs/dbraw/zinc/58/42/79/558584279.db2.gz HBACWSCEFVEAJU-LJQANCHMSA-N 0 0 413.955 5.260 50 0 HKAARN O=c1[nH]c(CN2CCc3sccc3[C@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000023995535 558584225 /nfs/dbraw/zinc/58/42/25/558584225.db2.gz HBACWSCEFVEAJU-IBGZPJMESA-N 0 0 413.955 5.260 50 0 HKAARN CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc12 ZINC000024012971 559187477 /nfs/dbraw/zinc/18/74/77/559187477.db2.gz YKRWHZLSTOUUMR-UHFFFAOYSA-N 0 0 402.445 5.757 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000024015609 558584631 /nfs/dbraw/zinc/58/46/31/558584631.db2.gz YPWMAJREMJDBOQ-FOSCPWQOSA-N 0 0 409.338 5.451 50 0 HKAARN CCC(CC)C(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(OC)cc3)n2)cc1 ZINC000024023325 559187864 /nfs/dbraw/zinc/18/78/64/559187864.db2.gz XWCFFTPBUGFBTA-UHFFFAOYSA-N 0 0 419.529 5.656 50 0 HKAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000024023347 559187760 /nfs/dbraw/zinc/18/77/60/559187760.db2.gz FABDPUAYCJUPMQ-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(cccc2F)s1 ZINC000024023483 558584815 /nfs/dbraw/zinc/58/48/15/558584815.db2.gz ZGYSHARYGVRVAW-UHFFFAOYSA-N 0 0 424.419 5.160 50 0 HKAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032142 559187970 /nfs/dbraw/zinc/18/79/70/559187970.db2.gz ZTBSVPRAVOVEFN-RUZDIDTESA-N 0 0 412.558 5.431 50 0 HKAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032145 559187949 /nfs/dbraw/zinc/18/79/49/559187949.db2.gz ZTBSVPRAVOVEFN-VWLOTQADSA-N 0 0 412.558 5.431 50 0 HKAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000024040533 559188603 /nfs/dbraw/zinc/18/86/03/559188603.db2.gz ARQNYLSGPGRCHW-UHFFFAOYSA-N 0 0 420.818 6.202 50 0 HKAARN O=c1oc2cc(Oc3nc(-c4ccncc4)nc4ccccc43)ccc2c2c1CCC2 ZINC000024040846 558585951 /nfs/dbraw/zinc/58/59/51/558585951.db2.gz SIXTYNJEWDWJGF-UHFFFAOYSA-N 0 0 407.429 5.079 50 0 HKAARN O=C(CNc1ccccc1Cc1ccccc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000024041005 558585997 /nfs/dbraw/zinc/58/59/97/558585997.db2.gz YNVUICVLFLORRM-UHFFFAOYSA-N 0 0 418.846 6.000 50 0 HKAARN COC(=O)c1cc2ccccc2cc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000024041516 558586012 /nfs/dbraw/zinc/58/60/12/558586012.db2.gz ZIULKIFAXZUTQD-UHFFFAOYSA-N 0 0 407.429 5.424 50 0 HKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000024045027 558586286 /nfs/dbraw/zinc/58/62/86/558586286.db2.gz GQWMVHLGZUHCEO-NSHDSACASA-N 0 0 405.549 5.214 50 0 HKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000024045028 558586261 /nfs/dbraw/zinc/58/62/61/558586261.db2.gz GQWMVHLGZUHCEO-LLVKDONJSA-N 0 0 405.549 5.214 50 0 HKAARN CC(C)(C)c1noc(CSc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000024046121 558586276 /nfs/dbraw/zinc/58/62/76/558586276.db2.gz ZMQPQCUBSACNTR-UHFFFAOYSA-N 0 0 400.504 5.470 50 0 HKAARN Cc1ccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2-c2ccccc2)cc1 ZINC000024046145 558586270 /nfs/dbraw/zinc/58/62/70/558586270.db2.gz IHGSUIZFSDNLKH-UHFFFAOYSA-N 0 0 405.527 5.216 50 0 HKAARN C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000024046753 558586226 /nfs/dbraw/zinc/58/62/26/558586226.db2.gz JOBJNXOQWJZCQE-LLVKDONJSA-N 0 0 407.337 5.169 50 0 HKAARN C[C@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000024046755 558586253 /nfs/dbraw/zinc/58/62/53/558586253.db2.gz JOBJNXOQWJZCQE-NSHDSACASA-N 0 0 407.337 5.169 50 0 HKAARN Cc1cc2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)n2c2ccccc12 ZINC000024047627 558586428 /nfs/dbraw/zinc/58/64/28/558586428.db2.gz QPQZDTYHXQCCCY-UHFFFAOYSA-N 0 0 406.898 5.792 50 0 HKAARN Clc1cccc(-c2cnc(CSc3nncn3-c3cccc(Cl)c3)o2)c1 ZINC000024047660 558586437 /nfs/dbraw/zinc/58/64/37/558586437.db2.gz QTHOUFWMJKAURV-UHFFFAOYSA-N 0 0 403.294 5.521 50 0 HKAARN CC(C)n1c(=O)c2ccccc2nc1SCc1ncc(-c2cccc(Cl)c2)o1 ZINC000024047823 559188716 /nfs/dbraw/zinc/18/87/16/559188716.db2.gz GTLKWUCBDZOHHK-UHFFFAOYSA-N 0 0 411.914 5.578 50 0 HKAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000024049448 559189175 /nfs/dbraw/zinc/18/91/75/559189175.db2.gz AROACWUPQJEBPX-UHFFFAOYSA-N 0 0 416.502 5.356 50 0 HKAARN COc1ccccc1Nc1nnc(Sc2ncnc3c4ccccc4oc32)s1 ZINC000024067693 558587289 /nfs/dbraw/zinc/58/72/89/558587289.db2.gz WKHIHBYTFUMGKI-UHFFFAOYSA-N 0 0 407.480 5.131 50 0 HKAARN Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000024068811 558587696 /nfs/dbraw/zinc/58/76/96/558587696.db2.gz KYRGBLLSUISOQR-UHFFFAOYSA-N 0 0 401.260 5.027 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000024069786 558587630 /nfs/dbraw/zinc/58/76/30/558587630.db2.gz NUZKRRHZCYQCCH-UHFFFAOYSA-N 0 0 421.497 5.330 50 0 HKAARN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(-c4ccccc4F)o3)nc2c1 ZINC000024069833 559189582 /nfs/dbraw/zinc/18/95/82/559189582.db2.gz QLJXPNQBIBYPMJ-WJDWOHSUSA-N 0 0 424.815 5.258 50 0 HKAARN Clc1ccc(-c2csc3ncnc(Sc4nnc(-c5ccco5)o4)c23)cc1 ZINC000024071240 559189622 /nfs/dbraw/zinc/18/96/22/559189622.db2.gz SYUGIOCUHNTDBP-UHFFFAOYSA-N 0 0 412.883 5.806 50 0 HKAARN Cc1sc2nc(-c3cccs3)nc(Sc3nnc(-c4ccco4)o3)c2c1C ZINC000024071247 558587618 /nfs/dbraw/zinc/58/76/18/558587618.db2.gz UVCFOTMGSMHRAC-UHFFFAOYSA-N 0 0 412.521 5.831 50 0 HKAARN COc1ccc(Nc2nn(CN3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083217 558588132 /nfs/dbraw/zinc/58/81/32/558588132.db2.gz BISZXNGEDYAHSP-OAHLLOKOSA-N 0 0 404.586 5.282 50 0 HKAARN COc1ccc(Nc2nn(CN3CCC[C@H]3c3cccs3)c(=S)s2)cc1 ZINC000024083221 558588045 /nfs/dbraw/zinc/58/80/45/558588045.db2.gz BISZXNGEDYAHSP-HNNXBMFYSA-N 0 0 404.586 5.282 50 0 HKAARN Cn1c(=S)n(CN2CCC[C@@H]2c2nc3ccccc3s2)nc1-c1ccccc1 ZINC000024083854 558588178 /nfs/dbraw/zinc/58/81/78/558588178.db2.gz FQBFKRJFPXELTA-QGZVFWFLSA-N 0 0 407.568 5.022 50 0 HKAARN Cn1c(=S)n(CN2CCC[C@H]2c2nc3ccccc3s2)nc1-c1ccccc1 ZINC000024083858 558588093 /nfs/dbraw/zinc/58/80/93/558588093.db2.gz FQBFKRJFPXELTA-KRWDZBQOSA-N 0 0 407.568 5.022 50 0 HKAARN Cc1noc(C)c1CC(=O)N(c1nc2ccccc2s1)c1ccc(C(C)C)cc1 ZINC000024093501 559189872 /nfs/dbraw/zinc/18/98/72/559189872.db2.gz DVGASQGCXCTTMI-UHFFFAOYSA-N 0 0 405.523 5.932 50 0 HKAARN Cc1c(Cl)c(CSc2nnc3ccc(C(F)(F)F)cn32)nc2ccccc12 ZINC000024144770 558590618 /nfs/dbraw/zinc/59/06/18/558590618.db2.gz GWIXGFXVMWEMPA-UHFFFAOYSA-N 0 0 408.836 5.550 50 0 HKAARN CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000024149618 558590828 /nfs/dbraw/zinc/59/08/28/558590828.db2.gz ISQHGRBZJZTBHO-UHFFFAOYSA-N 0 0 413.399 5.466 50 0 HKAARN C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000024159872 558590881 /nfs/dbraw/zinc/59/08/81/558590881.db2.gz AFODHTLWCHDYRP-MRXNPFEDSA-N 0 0 421.456 5.206 50 0 HKAARN C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000024159876 558590814 /nfs/dbraw/zinc/59/08/14/558590814.db2.gz AFODHTLWCHDYRP-INIZCTEOSA-N 0 0 421.456 5.206 50 0 HKAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1c(C)cccc1C ZINC000024167473 559274936 /nfs/dbraw/zinc/27/49/36/559274936.db2.gz QTHMOXGAXBEFPM-UHFFFAOYSA-N 0 0 421.488 5.813 50 0 HKAARN CCc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000024167816 558590848 /nfs/dbraw/zinc/59/08/48/558590848.db2.gz LYGRNNUQNWCKNI-UHFFFAOYSA-N 0 0 403.301 5.037 50 0 HKAARN COCCn1c(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 ZINC000024168835 558590743 /nfs/dbraw/zinc/59/07/43/558590743.db2.gz BCJQDFKCHLLMCL-KRWDZBQOSA-N 0 0 423.582 5.253 50 0 HKAARN COCCn1c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 ZINC000024168838 558590869 /nfs/dbraw/zinc/59/08/69/558590869.db2.gz BCJQDFKCHLLMCL-QGZVFWFLSA-N 0 0 423.582 5.253 50 0 HKAARN COc1ccc(-c2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cs2)cc1 ZINC000024176395 559275237 /nfs/dbraw/zinc/27/52/37/559275237.db2.gz JREICIYGTVMOBW-UHFFFAOYSA-N 0 0 410.520 5.316 50 0 HKAARN Cc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000024193207 558591421 /nfs/dbraw/zinc/59/14/21/558591421.db2.gz VOQRCUKEJQSGNF-UHFFFAOYSA-N 0 0 424.544 5.218 50 0 HKAARN COCCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1 ZINC000024196309 558591696 /nfs/dbraw/zinc/59/16/96/558591696.db2.gz DRNYJDCTUUOKAT-UHFFFAOYSA-N 0 0 422.579 5.316 50 0 HKAARN CN(C)c1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cn1 ZINC000024207453 558592179 /nfs/dbraw/zinc/59/21/79/558592179.db2.gz MABFEWQKKOPFEA-UHFFFAOYSA-N 0 0 412.493 5.041 50 0 HKAARN O=C(CSC12CC3CC(CC(C3)C1)C2)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000024213352 558592361 /nfs/dbraw/zinc/59/23/61/558592361.db2.gz KEZOMPDQHHLULS-YLSHDAJPSA-N 0 0 410.539 5.252 50 0 HKAARN O=C(CSC12CC3CC(CC(C3)C1)C2)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000024213357 558592358 /nfs/dbraw/zinc/59/23/58/558592358.db2.gz KEZOMPDQHHLULS-UVLALUNPSA-N 0 0 410.539 5.252 50 0 HKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000024214227 559278891 /nfs/dbraw/zinc/27/88/91/559278891.db2.gz GIDZGZQUTSBSEX-UHFFFAOYSA-N 0 0 423.542 5.384 50 0 HKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000024225374 558592778 /nfs/dbraw/zinc/59/27/78/558592778.db2.gz QSHBVCDEYAYYFL-UHFFFAOYSA-N 0 0 409.489 5.032 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000024262694 559281346 /nfs/dbraw/zinc/28/13/46/559281346.db2.gz QMFUFMUTQGCRSG-UHFFFAOYSA-N 0 0 414.214 5.128 50 0 HKAARN O=C(Cc1nc(-c2c3ccccc3[nH]c2-c2ccccc2)cs1)NCc1ccccc1 ZINC000024280958 558594099 /nfs/dbraw/zinc/59/40/99/558594099.db2.gz CTKWYJQMXBQKJL-UHFFFAOYSA-N 0 0 423.541 5.817 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCc1ccccc1C(F)(F)F ZINC000024343313 558595364 /nfs/dbraw/zinc/59/53/64/558595364.db2.gz KBNIWUYRKLGJCK-UHFFFAOYSA-N 0 0 422.428 5.355 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1Oc1ccccc1 ZINC000024347727 558595557 /nfs/dbraw/zinc/59/55/57/558595557.db2.gz HQPJEIZHXUGGRM-UHFFFAOYSA-N 0 0 412.474 5.502 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024354497 558595933 /nfs/dbraw/zinc/59/59/33/558595933.db2.gz KNQJUVSUKRYJFO-UHFFFAOYSA-N 0 0 418.177 5.589 50 0 HKAARN CSc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 ZINC000024355160 560647502 /nfs/dbraw/zinc/64/75/02/560647502.db2.gz AHXFXHXWIDGGTK-UHFFFAOYSA-N 0 0 403.507 5.196 50 0 HKAARN O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2cc(F)ccc2s1 ZINC000024355451 558595941 /nfs/dbraw/zinc/59/59/41/558595941.db2.gz MHCKLXFCTDTZFL-UHFFFAOYSA-N 0 0 402.922 5.088 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000024356075 558595985 /nfs/dbraw/zinc/59/59/85/558595985.db2.gz NYXSUZPQERFKTJ-UHFFFAOYSA-N 0 0 421.449 5.230 50 0 HKAARN COc1ccccc1CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1 ZINC000024376000 558596574 /nfs/dbraw/zinc/59/65/74/558596574.db2.gz FMZJNCMTTWGHRY-UHFFFAOYSA-N 0 0 408.498 5.753 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCCc2nc3ccccc3s2)cc1 ZINC000024392355 560773011 /nfs/dbraw/zinc/77/30/11/560773011.db2.gz CJLIEYNQBDTLJY-NRFANRHFSA-N 0 0 408.567 5.772 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCCc2nc3ccccc3s2)cc1 ZINC000024392358 560773026 /nfs/dbraw/zinc/77/30/26/560773026.db2.gz CJLIEYNQBDTLJY-OAQYLSRUSA-N 0 0 408.567 5.772 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000024392405 560773033 /nfs/dbraw/zinc/77/30/33/560773033.db2.gz ZJKJCMHIRCBFEQ-SFHVURJKSA-N 0 0 405.441 5.063 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000024392408 560773007 /nfs/dbraw/zinc/77/30/07/560773007.db2.gz ZJKJCMHIRCBFEQ-GOSISDBHSA-N 0 0 405.441 5.063 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 ZINC000024392466 558596973 /nfs/dbraw/zinc/59/69/73/558596973.db2.gz BSJDQHPCYJXKBW-DVQDXYAYSA-N 0 0 415.946 5.215 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 ZINC000024392468 558596909 /nfs/dbraw/zinc/59/69/09/558596909.db2.gz BSJDQHPCYJXKBW-SXSDINLZSA-N 0 0 415.946 5.215 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000024393510 560773131 /nfs/dbraw/zinc/77/31/31/560773131.db2.gz TXVLAQVUFFIDHQ-FQEVSTJZSA-N 0 0 407.539 5.280 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000024393513 560773122 /nfs/dbraw/zinc/77/31/22/560773122.db2.gz TXVLAQVUFFIDHQ-HXUWFJFHSA-N 0 0 407.539 5.280 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)c2ccc(SC)cc2)cc1 ZINC000024393541 560773210 /nfs/dbraw/zinc/77/32/10/560773210.db2.gz SXUMKVWOYHPWBI-QFIPXVFZSA-N 0 0 411.567 5.524 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)c2ccc(SC)cc2)cc1 ZINC000024393542 560773241 /nfs/dbraw/zinc/77/32/41/560773241.db2.gz SXUMKVWOYHPWBI-JOCHJYFZSA-N 0 0 411.567 5.524 50 0 HKAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000024395766 558596902 /nfs/dbraw/zinc/59/69/02/558596902.db2.gz YFQBTESSBMZZNW-UHFFFAOYSA-N 0 0 405.498 5.071 50 0 HKAARN Cc1cc2occ(CC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2cc1C(C)C ZINC000024395888 560774518 /nfs/dbraw/zinc/77/45/18/560774518.db2.gz QEQUWPODYNDXRK-UHFFFAOYSA-N 0 0 415.537 5.311 50 0 HKAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Oc1ccccc1Cl ZINC000024401318 560779769 /nfs/dbraw/zinc/77/97/69/560779769.db2.gz YTHGIHIBBAULMO-UHFFFAOYSA-N 0 0 419.868 5.754 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000024401482 558597175 /nfs/dbraw/zinc/59/71/75/558597175.db2.gz YXBQIMWDNPXVAH-UHFFFAOYSA-N 0 0 421.909 6.212 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1csc(-c3ccco3)n1)oc1ccccc12 ZINC000024428709 558597327 /nfs/dbraw/zinc/59/73/27/558597327.db2.gz UVMHNSZSIMIZQU-UHFFFAOYSA-N 0 0 404.447 5.492 50 0 HKAARN Cc1nc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)cs1 ZINC000024439515 560817454 /nfs/dbraw/zinc/81/74/54/560817454.db2.gz RHEARZBEPUTWQS-UHFFFAOYSA-N 0 0 403.507 5.054 50 0 HKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(C2SCCS2)cc1 ZINC000024454686 558598111 /nfs/dbraw/zinc/59/81/11/558598111.db2.gz MDULZMGHMSUUHY-CQSZACIVSA-N 0 0 407.988 5.417 50 0 HKAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(C2SCCS2)cc1 ZINC000024454693 558598005 /nfs/dbraw/zinc/59/80/05/558598005.db2.gz MDULZMGHMSUUHY-AWEZNQCLSA-N 0 0 407.988 5.417 50 0 HKAARN Cc1ccc(C(=O)C2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)c(C)c1 ZINC000024455235 558598075 /nfs/dbraw/zinc/59/80/75/558598075.db2.gz SPYSBZVWNSOPBT-UHFFFAOYSA-N 0 0 404.485 5.034 50 0 HKAARN Cc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c(C)n1CC(F)(F)F ZINC000024455305 558598121 /nfs/dbraw/zinc/59/81/21/558598121.db2.gz JGQZIBFOTFKKCG-UHFFFAOYSA-N 0 0 420.475 5.019 50 0 HKAARN Cc1ccc(C(=O)C2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000024455550 560829788 /nfs/dbraw/zinc/82/97/88/560829788.db2.gz SJMIQIHZVYFLME-UHFFFAOYSA-N 0 0 416.521 5.013 50 0 HKAARN Cc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1NC(=O)c1ccco1 ZINC000024459108 558598268 /nfs/dbraw/zinc/59/82/68/558598268.db2.gz JMLAIEHCYXWFKP-UHFFFAOYSA-N 0 0 420.490 5.337 50 0 HKAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1nc2ccc(Cl)cc2s1 ZINC000024461193 558598184 /nfs/dbraw/zinc/59/81/84/558598184.db2.gz LAXBKWGZJMFLRW-UHFFFAOYSA-N 0 0 411.870 5.155 50 0 HKAARN O=C(c1cccc(OCc2cscn2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000024461264 568511848 /nfs/dbraw/zinc/51/18/48/568511848.db2.gz ALNLGOHWTAYNIA-UHFFFAOYSA-N 0 0 410.520 5.219 50 0 HKAARN O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)s1)c1ccco1 ZINC000024461986 558598216 /nfs/dbraw/zinc/59/82/16/558598216.db2.gz APCJMDUXQTYARL-UHFFFAOYSA-N 0 0 412.492 5.091 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N(Cc1cccs1)Cc1cccs1 ZINC000024464835 558598485 /nfs/dbraw/zinc/59/84/85/558598485.db2.gz IALDWMCSYDFHAP-UHFFFAOYSA-N 0 0 416.618 5.740 50 0 HKAARN COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(Cl)c1OC ZINC000024465015 560836254 /nfs/dbraw/zinc/83/62/54/560836254.db2.gz DJDHMXKESMKOKK-UHFFFAOYSA-N 0 0 407.944 5.323 50 0 HKAARN O=C(COCc1nc2ccccc2s1)N(Cc1cccs1)Cc1cccs1 ZINC000024466099 568511836 /nfs/dbraw/zinc/51/18/36/568511836.db2.gz YQNVVGBBWYQVHS-UHFFFAOYSA-N 0 0 414.577 5.165 50 0 HKAARN O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1cccs1)Cc1cccs1 ZINC000024466492 558598502 /nfs/dbraw/zinc/59/85/02/558598502.db2.gz UCOYKUJGJACYBU-UHFFFAOYSA-N 0 0 409.536 5.021 50 0 HKAARN CCOC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 ZINC000024466640 558598476 /nfs/dbraw/zinc/59/84/76/558598476.db2.gz UARKHKZCVNXLNW-UHFFFAOYSA-N 0 0 400.525 5.221 50 0 HKAARN O=C(CCc1cnn(-c2ccccc2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000024467444 560836449 /nfs/dbraw/zinc/83/64/49/560836449.db2.gz KCJGAIWWUDKKKZ-UHFFFAOYSA-N 0 0 407.564 5.157 50 0 HKAARN Cc1cn2c(/C=C/C(=O)N(Cc3cccs3)Cc3cccs3)c(C)nc2s1 ZINC000024467621 560836459 /nfs/dbraw/zinc/83/64/59/560836459.db2.gz AHJYEHPJRMTAOY-BQYQJAHWSA-N 0 0 413.593 5.378 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccc(F)cc1F ZINC000024468085 558598445 /nfs/dbraw/zinc/59/84/45/558598445.db2.gz VKLFPAOWQNRLFD-UHFFFAOYSA-N 0 0 411.235 5.507 50 0 HKAARN O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1cccs1)Cc1cccs1 ZINC000024469036 558598394 /nfs/dbraw/zinc/59/83/94/558598394.db2.gz GUKNSISQFDAHKS-UHFFFAOYSA-N 0 0 415.565 5.083 50 0 HKAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024471569 560837680 /nfs/dbraw/zinc/83/76/80/560837680.db2.gz CAXKGNSIIGJBBC-UHFFFAOYSA-N 0 0 422.834 5.079 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(C)c3ncccc23)ccc1OCc1ccncc1 ZINC000024472244 558598578 /nfs/dbraw/zinc/59/85/78/558598578.db2.gz SMWMCPYHUPSBGJ-UHFFFAOYSA-N 0 0 413.477 5.168 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024472922 558598633 /nfs/dbraw/zinc/59/86/33/558598633.db2.gz HKNMNDQSXADKMQ-UHFFFAOYSA-N 0 0 418.390 5.412 50 0 HKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000024503767 558599421 /nfs/dbraw/zinc/59/94/21/558599421.db2.gz KBGYPLHZXAUKTB-GOSISDBHSA-N 0 0 411.505 5.182 50 0 HKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000024503772 558599426 /nfs/dbraw/zinc/59/94/26/558599426.db2.gz KBGYPLHZXAUKTB-SFHVURJKSA-N 0 0 411.505 5.182 50 0 HKAARN COc1cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C ZINC000024504279 560842329 /nfs/dbraw/zinc/84/23/29/560842329.db2.gz OLYWNOINJDWXDA-SFHVURJKSA-N 0 0 402.494 5.089 50 0 HKAARN COc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C ZINC000024504283 560842336 /nfs/dbraw/zinc/84/23/36/560842336.db2.gz OLYWNOINJDWXDA-GOSISDBHSA-N 0 0 402.494 5.089 50 0 HKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(Cl)cc1F ZINC000024504854 558599419 /nfs/dbraw/zinc/59/94/19/558599419.db2.gz ZYPHMMYZICNKHK-OAHLLOKOSA-N 0 0 410.876 5.565 50 0 HKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(Cl)cc1F ZINC000024504857 558599414 /nfs/dbraw/zinc/59/94/14/558599414.db2.gz ZYPHMMYZICNKHK-HNNXBMFYSA-N 0 0 410.876 5.565 50 0 HKAARN COc1ccc2cc(C(=O)Nc3ccc(OC)c(OC4CCCC4)c3)c(C)nc2c1 ZINC000024507674 560842318 /nfs/dbraw/zinc/84/23/18/560842318.db2.gz PPNILTFQNMQFQG-UHFFFAOYSA-N 0 0 406.482 5.134 50 0 HKAARN O=c1nc(C[N@H+](Cc2ccccc2)Cc2cccc3ccccc32)[n-]c2ccsc21 ZINC000024528704 558600357 /nfs/dbraw/zinc/60/03/57/558600357.db2.gz QQHPYZGSUQVJIK-UHFFFAOYSA-N 0 0 411.530 5.340 50 0 HKAARN Cc1nc(-c2ccc(CCNC(=O)CCC(=O)c3ccc(C)c(C)c3)s2)cs1 ZINC000024539138 558600616 /nfs/dbraw/zinc/60/06/16/558600616.db2.gz YRVUPYZGATVSQP-UHFFFAOYSA-N 0 0 412.580 5.119 50 0 HKAARN O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000024539375 558600624 /nfs/dbraw/zinc/60/06/24/558600624.db2.gz MKZGYRJVSYMCLK-XDHOZWIPSA-N 0 0 416.735 6.504 50 0 HKAARN CCCSc1nc2c3c(sc2c(NCc2ccccc2)n1)C[C@@](C)(CC)OC3 ZINC000024545203 560844712 /nfs/dbraw/zinc/84/47/12/560844712.db2.gz KCEZFTFICWGJOK-JOCHJYFZSA-N 0 0 413.612 6.047 50 0 HKAARN CCCSc1nc2c3c(sc2c(NCc2ccccc2)n1)C[C@](C)(CC)OC3 ZINC000024545209 560844718 /nfs/dbraw/zinc/84/47/18/560844718.db2.gz KCEZFTFICWGJOK-QFIPXVFZSA-N 0 0 413.612 6.047 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)c2sc3[nH]c(-c4ccco4)nc(=O)c3c2C)cc1 ZINC000024549403 558601070 /nfs/dbraw/zinc/60/10/70/558601070.db2.gz DIENIDNWJVBTSM-GFCCVEGCSA-N 0 0 407.495 5.319 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)c2sc3[nH]c(-c4ccco4)nc(=O)c3c2C)cc1 ZINC000024549408 558601016 /nfs/dbraw/zinc/60/10/16/558601016.db2.gz DIENIDNWJVBTSM-LBPRGKRZSA-N 0 0 407.495 5.319 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000024549804 560845126 /nfs/dbraw/zinc/84/51/26/560845126.db2.gz YVZJWIKOQGZILB-GFCCVEGCSA-N 0 0 401.919 5.123 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000024549809 560845139 /nfs/dbraw/zinc/84/51/39/560845139.db2.gz YVZJWIKOQGZILB-LBPRGKRZSA-N 0 0 401.919 5.123 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000024567213 558601216 /nfs/dbraw/zinc/60/12/16/558601216.db2.gz FXIPLFFCXZHRIZ-UHFFFAOYSA-N 0 0 403.838 5.500 50 0 HKAARN Cc1ccsc1CN(C)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O ZINC000024572903 558601494 /nfs/dbraw/zinc/60/14/94/558601494.db2.gz XXUBHLJYKQNHLL-UHFFFAOYSA-N 0 0 403.551 5.140 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3ccco3)on1)CC2 ZINC000024573627 558601431 /nfs/dbraw/zinc/60/14/31/558601431.db2.gz YKEWTQFHRFBCFJ-HSZRJFAPSA-N 0 0 422.506 5.161 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3ccco3)on1)CC2 ZINC000024573630 558601395 /nfs/dbraw/zinc/60/13/95/558601395.db2.gz YKEWTQFHRFBCFJ-QHCPKHFHSA-N 0 0 422.506 5.161 50 0 HKAARN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(C2CCCCC2)cc1 ZINC000024576229 558601520 /nfs/dbraw/zinc/60/15/20/558601520.db2.gz GPOJYSGSPAKKJT-UHFFFAOYSA-N 0 0 409.511 5.117 50 0 HKAARN C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1Cl ZINC000024586458 558601859 /nfs/dbraw/zinc/60/18/59/558601859.db2.gz IYJPJGKXLASQQK-MRXNPFEDSA-N 0 0 405.885 5.058 50 0 HKAARN C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1Cl ZINC000024586463 558601797 /nfs/dbraw/zinc/60/17/97/558601797.db2.gz IYJPJGKXLASQQK-INIZCTEOSA-N 0 0 405.885 5.058 50 0 HKAARN Cc1cc(SCC(=O)NCc2nc3ccccc3s2)c(C)cc1Br ZINC000024588993 560875438 /nfs/dbraw/zinc/87/54/38/560875438.db2.gz ABZJLEXKTMSKFM-UHFFFAOYSA-N 0 0 421.385 5.084 50 0 HKAARN Cc1noc(C)c1CC(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024592155 558601946 /nfs/dbraw/zinc/60/19/46/558601946.db2.gz ZHYUQCBPQYDOKJ-UHFFFAOYSA-N 0 0 421.884 5.083 50 0 HKAARN O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000024632853 558605832 /nfs/dbraw/zinc/60/58/32/558605832.db2.gz LICMFMZGPQIYBF-UHFFFAOYSA-N 0 0 413.521 5.157 50 0 HKAARN Cc1ccc(-c2csc(SCC(=O)N3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000024633852 558605821 /nfs/dbraw/zinc/60/58/21/558605821.db2.gz RERSSJLKMYATAN-QGZVFWFLSA-N 0 0 400.594 5.636 50 0 HKAARN Cc1ccc(-c2csc(SCC(=O)N3CCC[C@H]3c3cccs3)n2)cc1 ZINC000024633859 558605755 /nfs/dbraw/zinc/60/57/55/558605755.db2.gz RERSSJLKMYATAN-KRWDZBQOSA-N 0 0 400.594 5.636 50 0 HKAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000024650717 558606200 /nfs/dbraw/zinc/60/62/00/558606200.db2.gz PEKGZHVVMKADJR-UHFFFAOYSA-N 0 0 416.521 5.065 50 0 HKAARN CN(Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657515 558606384 /nfs/dbraw/zinc/60/63/84/558606384.db2.gz XUUHIMJFJDKGQZ-UHFFFAOYSA-N 0 0 400.617 5.191 50 0 HKAARN CC(=O)N(c1nc(CSc2nc3ccccc3[nH]2)cs1)c1cccc(C)c1C ZINC000024662964 558606794 /nfs/dbraw/zinc/60/67/94/558606794.db2.gz LXFJZTSGDJCHOG-UHFFFAOYSA-N 0 0 408.552 5.613 50 0 HKAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(OCc2cccnc2)cc1 ZINC000024672464 568456445 /nfs/dbraw/zinc/45/64/45/568456445.db2.gz VRROOWPXCYPBES-UHFFFAOYSA-N 0 0 405.454 5.176 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000024673820 558607210 /nfs/dbraw/zinc/60/72/10/558607210.db2.gz KKZLXYSJFDUQCG-UHFFFAOYSA-N 0 0 403.429 5.348 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000024692549 558607686 /nfs/dbraw/zinc/60/76/86/558607686.db2.gz MZQQKZAUXXWTEP-IBGZPJMESA-N 0 0 423.438 5.452 50 0 HKAARN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000024692552 558607585 /nfs/dbraw/zinc/60/75/85/558607585.db2.gz MZQQKZAUXXWTEP-LJQANCHMSA-N 0 0 423.438 5.452 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)Nc3cccc(-c4nnco4)c3)c2oc1-c1ccccc1 ZINC000024696686 558607806 /nfs/dbraw/zinc/60/78/06/558607806.db2.gz XISSYQVOAFUPRT-UHFFFAOYSA-N 0 0 423.428 5.071 50 0 HKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl ZINC000024716785 558608656 /nfs/dbraw/zinc/60/86/56/558608656.db2.gz LJOSSMLQIZPTEI-UHFFFAOYSA-N 0 0 403.960 6.078 50 0 HKAARN COc1ccc(-c2nnc(CN[C@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 ZINC000024716889 558608691 /nfs/dbraw/zinc/60/86/91/558608691.db2.gz OVSRVUBFDMRUAU-VWLOTQADSA-N 0 0 419.569 6.280 50 0 HKAARN COc1ccc(-c2nnc(CN[C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 ZINC000024716892 558608671 /nfs/dbraw/zinc/60/86/71/558608671.db2.gz OVSRVUBFDMRUAU-RUZDIDTESA-N 0 0 419.569 6.280 50 0 HKAARN COc1cccc(-c2nc(COc3ccc(F)cc3Br)cs2)c1OC ZINC000024725411 558608858 /nfs/dbraw/zinc/60/88/58/558608858.db2.gz BGLRGRAPYKIJOG-UHFFFAOYSA-N 0 0 424.291 5.308 50 0 HKAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(cccc2F)s1 ZINC000024734116 558609027 /nfs/dbraw/zinc/60/90/27/558609027.db2.gz XALJASQRVFOBQM-UHFFFAOYSA-N 0 0 411.285 5.058 50 0 HKAARN CCCN(C(=O)c1cccc(C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000024735288 558609082 /nfs/dbraw/zinc/60/90/82/558609082.db2.gz KSHFSUZWCGODNS-UHFFFAOYSA-N 0 0 406.338 5.877 50 0 HKAARN Cc1cc(C)c(C)c2[nH]c(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc21 ZINC000024736663 558609019 /nfs/dbraw/zinc/60/90/19/558609019.db2.gz VXRLIGXAUJKADS-UHFFFAOYSA-N 0 0 418.324 5.111 50 0 HKAARN COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OCc1ccncc1 ZINC000024745741 558609565 /nfs/dbraw/zinc/60/95/65/558609565.db2.gz RULPYKBRLBCYET-SFHVURJKSA-N 0 0 416.521 5.039 50 0 HKAARN COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OCc1ccncc1 ZINC000024745748 558609558 /nfs/dbraw/zinc/60/95/58/558609558.db2.gz RULPYKBRLBCYET-GOSISDBHSA-N 0 0 416.521 5.039 50 0 HKAARN CC[C@@H](NC(=O)c1ccc(OC)c(OCc2ccncc2)c1)c1ccc(Cl)cc1 ZINC000024745804 568460786 /nfs/dbraw/zinc/46/07/86/568460786.db2.gz SCCZPGDENRZZNH-HXUWFJFHSA-N 0 0 410.901 5.204 50 0 HKAARN CC[C@H](NC(=O)c1ccc(OC)c(OCc2ccncc2)c1)c1ccc(Cl)cc1 ZINC000024745809 568460882 /nfs/dbraw/zinc/46/08/82/568460882.db2.gz SCCZPGDENRZZNH-FQEVSTJZSA-N 0 0 410.901 5.204 50 0 HKAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000024746544 568460960 /nfs/dbraw/zinc/46/09/60/568460960.db2.gz BQPQKVXSTQVMBI-UHFFFAOYSA-N 0 0 415.415 5.521 50 0 HKAARN Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccc(C)cc1 ZINC000024749446 525569895 /nfs/dbraw/zinc/56/98/95/525569895.db2.gz UXIBMOJLAJOWRY-UHFFFAOYSA-N 0 0 416.550 5.119 50 0 HKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Cl)c1Cl ZINC000024751179 558609999 /nfs/dbraw/zinc/60/99/99/558609999.db2.gz AJXRNETWSCDWFZ-UHFFFAOYSA-N 0 0 424.715 5.749 50 0 HKAARN COc1ccccc1N(C(C)=O)c1nc(COc2c(Cl)cccc2Cl)cs1 ZINC000024754303 524523367 /nfs/dbraw/zinc/52/33/67/524523367.db2.gz DAEULAFVIAPOPH-UHFFFAOYSA-N 0 0 423.321 5.722 50 0 HKAARN CSCc1nnc(SCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)o1 ZINC000024755737 558610371 /nfs/dbraw/zinc/61/03/71/558610371.db2.gz SYOMKRWGHOFHMJ-UHFFFAOYSA-N 0 0 409.536 5.066 50 0 HKAARN Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1C ZINC000024755958 558610344 /nfs/dbraw/zinc/61/03/44/558610344.db2.gz IAJUYNHFEKTIPN-MRXNPFEDSA-N 0 0 420.538 5.362 50 0 HKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1C ZINC000024755962 558610409 /nfs/dbraw/zinc/61/04/09/558610409.db2.gz IAJUYNHFEKTIPN-INIZCTEOSA-N 0 0 420.538 5.362 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2)co1 ZINC000024756538 558610606 /nfs/dbraw/zinc/61/06/06/558610606.db2.gz DARPRJHCXRYGEP-UHFFFAOYSA-N 0 0 421.456 6.224 50 0 HKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000024757985 568461453 /nfs/dbraw/zinc/46/14/53/568461453.db2.gz MTCJAQIAACUYSO-UHFFFAOYSA-N 0 0 413.443 5.209 50 0 HKAARN COCc1c(C(=O)Nc2nc3ccc(OC)cc3s2)sc2cccc(F)c21 ZINC000024761264 522901536 /nfs/dbraw/zinc/90/15/36/522901536.db2.gz WOPGIJIJRDOGON-UHFFFAOYSA-N 0 0 402.472 5.057 50 0 HKAARN CCCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000024762003 520406192 /nfs/dbraw/zinc/40/61/92/520406192.db2.gz QBJHIWZLUFFLKH-UHFFFAOYSA-N 0 0 419.481 5.137 50 0 HKAARN COc1cc2c(cc1NC(=O)c1cccc(Nc3ncccn3)c1)oc1ccccc12 ZINC000024762341 523020234 /nfs/dbraw/zinc/02/02/34/523020234.db2.gz FZDZHUUYPINBSR-UHFFFAOYSA-N 0 0 410.433 5.381 50 0 HKAARN COc1cc2c(cc1NC(=O)Cc1c(C)[nH]c3ccc(F)cc31)oc1ccccc12 ZINC000024762428 523016012 /nfs/dbraw/zinc/01/60/12/523016012.db2.gz IYVIWMUKLKAJLI-UHFFFAOYSA-N 0 0 402.425 5.705 50 0 HKAARN O=C(NCCc1cccc(Cl)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000024763051 558611241 /nfs/dbraw/zinc/61/12/41/558611241.db2.gz KFQSCNLSYQEOLN-UHFFFAOYSA-N 0 0 415.924 5.224 50 0 HKAARN Cc1occc1-c1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)n1C ZINC000024766666 558611618 /nfs/dbraw/zinc/61/16/18/558611618.db2.gz NYACZBSUFSBBJG-FQEVSTJZSA-N 0 0 422.579 5.186 50 0 HKAARN Cc1occc1-c1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)n1C ZINC000024766673 558611711 /nfs/dbraw/zinc/61/17/11/558611711.db2.gz NYACZBSUFSBBJG-HXUWFJFHSA-N 0 0 422.579 5.186 50 0 HKAARN Cc1c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000024774444 558612310 /nfs/dbraw/zinc/61/23/10/558612310.db2.gz JVQAQEYFBJQFCQ-UHFFFAOYSA-N 0 0 418.522 5.107 50 0 HKAARN COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1ccncc1 ZINC000024775207 568462380 /nfs/dbraw/zinc/46/23/80/568462380.db2.gz ZFJIXOYWVUJNRI-QHCPKHFHSA-N 0 0 424.928 5.450 50 0 HKAARN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1ccncc1 ZINC000024775216 568462355 /nfs/dbraw/zinc/46/23/55/568462355.db2.gz ZFJIXOYWVUJNRI-HSZRJFAPSA-N 0 0 424.928 5.450 50 0 HKAARN COc1ccc2c(c1)CCCN2C(=O)c1ccccc1CSc1nc(C)cs1 ZINC000024777041 558612601 /nfs/dbraw/zinc/61/26/01/558612601.db2.gz DPQPBFJMORXICY-UHFFFAOYSA-N 0 0 410.564 5.345 50 0 HKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)ccc2c1 ZINC000024778645 558612832 /nfs/dbraw/zinc/61/28/32/558612832.db2.gz WVQZOOFYFFNCQQ-QGZVFWFLSA-N 0 0 404.510 5.575 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)ccc2c1 ZINC000024778652 558612882 /nfs/dbraw/zinc/61/28/82/558612882.db2.gz WVQZOOFYFFNCQQ-KRWDZBQOSA-N 0 0 404.510 5.575 50 0 HKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccnc1SC(F)F ZINC000024782853 569041051 /nfs/dbraw/zinc/04/10/51/569041051.db2.gz OCOCOKMZUSWJMH-UHFFFAOYSA-N 0 0 413.474 5.925 50 0 HKAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n2)c(C)c1 ZINC000024783467 568463122 /nfs/dbraw/zinc/46/31/22/568463122.db2.gz LADIOGANVFHRRL-UHFFFAOYSA-N 0 0 423.563 5.422 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000024799151 568465589 /nfs/dbraw/zinc/46/55/89/568465589.db2.gz HCYNNPVBAPUUOZ-UHFFFAOYSA-N 0 0 421.246 5.353 50 0 HKAARN COc1ccccc1CN(Cc1cccs1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000024816616 558613711 /nfs/dbraw/zinc/61/37/11/558613711.db2.gz FTQCVYQNJUOLSV-UHFFFAOYSA-N 0 0 409.486 5.148 50 0 HKAARN COc1cc(C(C)=O)ccc1OCc1csc(COc2ccc(Cl)cc2)n1 ZINC000024827456 558614160 /nfs/dbraw/zinc/61/41/60/558614160.db2.gz VSIXUSGJSHOCIC-UHFFFAOYSA-N 0 0 403.887 5.166 50 0 HKAARN Cc1nc(-c2ccc([C@@H](C)Nc3cnn(-c4ccccc4)c(=O)c3Cl)cc2)cs1 ZINC000024828482 558614101 /nfs/dbraw/zinc/61/41/01/558614101.db2.gz CAIBTHRYGGQKCD-CQSZACIVSA-N 0 0 422.941 5.491 50 0 HKAARN Cc1nc(-c2ccc([C@H](C)Nc3cnn(-c4ccccc4)c(=O)c3Cl)cc2)cs1 ZINC000024828485 558614150 /nfs/dbraw/zinc/61/41/50/558614150.db2.gz CAIBTHRYGGQKCD-AWEZNQCLSA-N 0 0 422.941 5.491 50 0 HKAARN Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000024828605 558614056 /nfs/dbraw/zinc/61/40/56/558614056.db2.gz JHTAHVZVQIVZRC-UHFFFAOYSA-N 0 0 410.326 5.713 50 0 HKAARN O=C(COc1cccc2ccccc21)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000024828729 558614093 /nfs/dbraw/zinc/61/40/93/558614093.db2.gz HCLJIUHVSNVNHN-UHFFFAOYSA-N 0 0 411.461 5.501 50 0 HKAARN Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1F ZINC000024828772 558614143 /nfs/dbraw/zinc/61/41/43/558614143.db2.gz XTDCXFRWGNIVKT-CQSZACIVSA-N 0 0 424.501 5.193 50 0 HKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1F ZINC000024828775 558614097 /nfs/dbraw/zinc/61/40/97/558614097.db2.gz XTDCXFRWGNIVKT-AWEZNQCLSA-N 0 0 424.501 5.193 50 0 HKAARN Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000024828863 558614113 /nfs/dbraw/zinc/61/41/13/558614113.db2.gz TXGFMGBURBDOKK-UHFFFAOYSA-N 0 0 410.326 5.217 50 0 HKAARN CCOc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC ZINC000024829269 558614288 /nfs/dbraw/zinc/61/42/88/558614288.db2.gz FGQLFWPBZBEOTR-UHFFFAOYSA-N 0 0 420.490 5.730 50 0 HKAARN CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 ZINC000024829552 558614314 /nfs/dbraw/zinc/61/43/14/558614314.db2.gz NOKRENZBVLTEJN-CQSZACIVSA-N 0 0 409.490 5.433 50 0 HKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 ZINC000024829555 558614350 /nfs/dbraw/zinc/61/43/50/558614350.db2.gz NOKRENZBVLTEJN-AWEZNQCLSA-N 0 0 409.490 5.433 50 0 HKAARN COc1ccc(-c2nc(COC(=O)c3cccc(C(F)(F)F)c3)cs2)c(OC)c1 ZINC000024829959 558614591 /nfs/dbraw/zinc/61/45/91/558614591.db2.gz KTVJZSHPZGVPEH-UHFFFAOYSA-N 0 0 423.412 5.203 50 0 HKAARN O=C(/C=C/c1cccc(Cl)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000024830215 568469884 /nfs/dbraw/zinc/46/98/84/568469884.db2.gz UNRMWZGYLOJLCR-DHZHZOJOSA-N 0 0 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CCOC(=O)c1cc(Cl)c(OCc2ncc(-c3ccc(F)cc3)o2)c(Cl)c1 ZINC000024985682 558624774 /nfs/dbraw/zinc/62/47/74/558624774.db2.gz JEULGLNUAMRZHQ-UHFFFAOYSA-N 0 0 410.228 5.543 50 0 HKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000024986507 558624985 /nfs/dbraw/zinc/62/49/85/558624985.db2.gz QMXUDSJXJDWCFZ-AYHJJNSGSA-N 0 0 410.608 5.981 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000024986922 568710500 /nfs/dbraw/zinc/71/05/00/568710500.db2.gz GRSZCPIDRLKLSO-UHFFFAOYSA-N 0 0 408.601 5.024 50 0 HKAARN CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1 ZINC000024990587 558625940 /nfs/dbraw/zinc/62/59/40/558625940.db2.gz IXBQCYXILWBZCN-UHFFFAOYSA-N 0 0 403.507 5.192 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000024992735 558626295 /nfs/dbraw/zinc/62/62/95/558626295.db2.gz XBJMVBMKPNNZJJ-UHFFFAOYSA-N 0 0 410.539 5.381 50 0 HKAARN C[C@@H](NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 ZINC000024993529 568711546 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558628788 /nfs/dbraw/zinc/62/87/88/558628788.db2.gz YFUWMMQZPSFPDI-LVXARBLLSA-N 0 0 424.548 5.520 50 0 HKAARN COc1c(Br)cc(F)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000025052558 558628838 /nfs/dbraw/zinc/62/88/38/558628838.db2.gz FBMULWXCKDQZRS-UHFFFAOYSA-N 0 0 406.251 5.141 50 0 HKAARN O=c1nc(CSc2ccc3c(c2)OCCCO3)[nH]c2sc(-c3ccccc3)cc21 ZINC000025052891 558628975 /nfs/dbraw/zinc/62/89/75/558628975.db2.gz FFRBCILEKDJEJS-UHFFFAOYSA-N 0 0 422.531 5.105 50 0 HKAARN CCc1ccc(OCc2nnc(S[C@@H]3CCCC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000025053828 568739972 /nfs/dbraw/zinc/73/99/72/568739972.db2.gz YXVSHQBEMJQNCX-HTAPYJJXSA-N 0 0 421.566 5.243 50 0 HKAARN CCc1ccc(OCc2nnc(S[C@H]3CCCC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000025053835 568739992 /nfs/dbraw/zinc/73/99/92/568739992.db2.gz YXVSHQBEMJQNCX-JTSKRJEESA-N 0 0 421.566 5.243 50 0 HKAARN CCc1ccc(OCc2nnc(S[C@@H]3CCCC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000025053841 568739967 /nfs/dbraw/zinc/73/99/67/568739967.db2.gz YXVSHQBEMJQNCX-VGOFRKELSA-N 0 0 421.566 5.243 50 0 HKAARN CCc1ccc(OCc2nnc(S[C@H]3CCCC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000025053846 568739988 /nfs/dbraw/zinc/73/99/88/568739988.db2.gz YXVSHQBEMJQNCX-VGSWGCGISA-N 0 0 421.566 5.243 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000025057501 568740817 /nfs/dbraw/zinc/74/08/17/568740817.db2.gz XSKDWAUKMCPAHX-UHFFFAOYSA-N 0 0 424.909 6.338 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1cccs1)c1ccccc1 ZINC000025058638 558629479 /nfs/dbraw/zinc/62/94/79/558629479.db2.gz PNIVZLQVOSOHKS-NRFANRHFSA-N 0 0 400.931 5.036 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1cccs1)c1ccccc1 ZINC000025058644 558629421 /nfs/dbraw/zinc/62/94/21/558629421.db2.gz PNIVZLQVOSOHKS-OAQYLSRUSA-N 0 0 400.931 5.036 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c(C)c1 ZINC000025059448 558629410 /nfs/dbraw/zinc/62/94/10/558629410.db2.gz SXWQHRKHJFUPOO-UHFFFAOYSA-N 0 0 409.511 5.057 50 0 HKAARN COc1cc2nc(NC(=O)c3cc(F)c(Cl)cc3Cl)sc2cc1OC ZINC000025060381 558629733 /nfs/dbraw/zinc/62/97/33/558629733.db2.gz QOFIYTXNUPRKGF-UHFFFAOYSA-N 0 0 401.246 5.012 50 0 HKAARN CC(C)C(=O)Nc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000025061362 568742272 /nfs/dbraw/zinc/74/22/72/568742272.db2.gz GRIZIAZKEZTICA-UHFFFAOYSA-N 0 0 405.523 5.441 50 0 HKAARN COc1ccccc1-c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)on1 ZINC000025063593 558629885 /nfs/dbraw/zinc/62/98/85/558629885.db2.gz FFAXDRBXCLGBNJ-UHFFFAOYSA-N 0 0 404.495 5.101 50 0 HKAARN CCOC(=O)c1sc2nc(Oc3ccc(Br)cc3)cc(C)c2c1C ZINC000025066948 558630104 /nfs/dbraw/zinc/63/01/04/558630104.db2.gz AOKHCBOZGDIQSR-UHFFFAOYSA-N 0 0 406.301 5.645 50 0 HKAARN CCOC(=O)c1sc2nc(Sc3ccc(NC(C)=O)cc3)cc(C)c2c1C ZINC000025066967 558629998 /nfs/dbraw/zinc/62/99/98/558629998.db2.gz VYFFWGWKTYIFDL-UHFFFAOYSA-N 0 0 400.525 5.199 50 0 HKAARN O=C(c1cc(Oc2ccc(-c3ccccc3)cc2)nc2ccccc21)N1CCOCC1 ZINC000025067004 558630082 /nfs/dbraw/zinc/63/00/82/558630082.db2.gz RXUJJOLSTHKPKL-UHFFFAOYSA-N 0 0 410.473 5.167 50 0 HKAARN O=C(c1ccc(CSCc2ncc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1 ZINC000025083581 558631066 /nfs/dbraw/zinc/63/10/66/558631066.db2.gz MSBVCEGLKBQLFE-UHFFFAOYSA-N 0 0 412.942 5.664 50 0 HKAARN O=C(c1ccc(Br)s1)N(Cc1ccc(Br)cc1)C1CC1 ZINC000025088620 568749639 /nfs/dbraw/zinc/74/96/39/568749639.db2.gz VNSDJMCKIXBYSZ-UHFFFAOYSA-N 0 0 415.150 5.078 50 0 HKAARN O=C(c1ccc(Br)s1)N(Cc1cccc(Br)c1)C1CC1 ZINC000025089735 568749652 /nfs/dbraw/zinc/74/96/52/568749652.db2.gz CEAFDLNVEPKFFJ-UHFFFAOYSA-N 0 0 415.150 5.078 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Br)s2)c1 ZINC000025092588 568749526 /nfs/dbraw/zinc/74/95/26/568749526.db2.gz JKQMBWNXSCNAPJ-UHFFFAOYSA-N 0 0 416.300 5.407 50 0 HKAARN CC(C)C(=O)Nc1cccc(CNC(=O)CCOc2ccccc2-c2ccccc2)c1 ZINC000025094353 558631608 /nfs/dbraw/zinc/63/16/08/558631608.db2.gz FUFFAEYPGFEFAA-UHFFFAOYSA-N 0 0 416.521 5.033 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000025097934 558631564 /nfs/dbraw/zinc/63/15/64/558631564.db2.gz RLDCIRYFPWULKL-CYBMUJFWSA-N 0 0 421.353 5.310 50 0 HKAARN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000025097938 558631587 /nfs/dbraw/zinc/63/15/87/558631587.db2.gz RLDCIRYFPWULKL-ZDUSSCGKSA-N 0 0 421.353 5.310 50 0 HKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000025118085 558631963 /nfs/dbraw/zinc/63/19/63/558631963.db2.gz MGAAFRWWECLQNL-UHFFFAOYSA-N 0 0 424.482 5.100 50 0 HKAARN O=C(c1ccc(F)c(F)c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000025130459 558632198 /nfs/dbraw/zinc/63/21/98/558632198.db2.gz HPEQOFSSQMAKGO-QPJJXVBHSA-N 0 0 407.416 5.096 50 0 HKAARN Cc1cc(CN(C)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)no1 ZINC000025138239 568751311 /nfs/dbraw/zinc/75/13/11/568751311.db2.gz XDYJCQCTSAFREW-UHFFFAOYSA-N 0 0 410.470 5.188 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000025139703 558632525 /nfs/dbraw/zinc/63/25/25/558632525.db2.gz NYWXNUDDESZYRM-CYBMUJFWSA-N 0 0 413.547 5.017 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000025139706 558632456 /nfs/dbraw/zinc/63/24/56/558632456.db2.gz NYWXNUDDESZYRM-ZDUSSCGKSA-N 0 0 413.547 5.017 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000025139747 558632517 /nfs/dbraw/zinc/63/25/17/558632517.db2.gz YBIONEUWNPDYJI-CYBMUJFWSA-N 0 0 413.547 5.017 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000025139750 558632397 /nfs/dbraw/zinc/63/23/97/558632397.db2.gz YBIONEUWNPDYJI-ZDUSSCGKSA-N 0 0 413.547 5.017 50 0 HKAARN COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c2ccccc12 ZINC000025141844 568752205 /nfs/dbraw/zinc/75/22/05/568752205.db2.gz KDQYPULUDNLOFR-UHFFFAOYSA-N 0 0 410.448 5.413 50 0 HKAARN CCC(CC)NC(=O)c1cc(C)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2n1 ZINC000025141848 568752209 /nfs/dbraw/zinc/75/22/09/568752209.db2.gz TYHSOLXJWNSPID-UHFFFAOYSA-N 0 0 416.500 5.453 50 0 HKAARN Cc1cc(C(=O)N[C@H](C)C(C)C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025141861 568752189 /nfs/dbraw/zinc/75/21/89/568752189.db2.gz MUXNJHRATDZJTN-QGZVFWFLSA-N 0 0 416.500 5.309 50 0 HKAARN Cc1cc(C(=O)N[C@@H](C)C(C)C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025141863 568752261 /nfs/dbraw/zinc/75/22/61/568752261.db2.gz MUXNJHRATDZJTN-KRWDZBQOSA-N 0 0 416.500 5.309 50 0 HKAARN COc1ccc(-c2ccc3nc(-c4c(OC)cccc4OC)oc3c2)c(OC)c1OC ZINC000025142190 568752431 /nfs/dbraw/zinc/75/24/31/568752431.db2.gz GRAFRLCALHNUGT-UHFFFAOYSA-N 0 0 421.449 5.205 50 0 HKAARN O=C(NC1CCCCC1)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025142212 568752398 /nfs/dbraw/zinc/75/23/98/568752398.db2.gz DXVLZBBKVYVRCE-UHFFFAOYSA-N 0 0 416.550 5.271 50 0 HKAARN Cc1cc(C(=O)NC2CCCC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025142389 568752418 /nfs/dbraw/zinc/75/24/18/568752418.db2.gz FLDQYHFHJBOUNA-UHFFFAOYSA-N 0 0 414.484 5.207 50 0 HKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000025142651 568752396 /nfs/dbraw/zinc/75/23/96/568752396.db2.gz WPXOMAHKLVDYLD-LJAQVGFWSA-N 0 0 417.552 6.301 50 0 HKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000025142653 568752387 /nfs/dbraw/zinc/75/23/87/568752387.db2.gz WPXOMAHKLVDYLD-GDLZYMKVSA-N 0 0 417.552 6.301 50 0 HKAARN COc1ccc2ccccc2c1-c1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000025142696 568752397 /nfs/dbraw/zinc/75/23/97/568752397.db2.gz OXIJLOZTRMWWKO-UHFFFAOYSA-N 0 0 410.448 5.413 50 0 HKAARN CCCN(CCC)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025142701 568752465 /nfs/dbraw/zinc/75/24/65/568752465.db2.gz HYTJGEPGNHVOOP-UHFFFAOYSA-N 0 0 418.566 5.470 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000025142741 568752427 /nfs/dbraw/zinc/75/24/27/568752427.db2.gz LWZBADBAYWBSTD-RUZDIDTESA-N 0 0 412.464 5.577 50 0 HKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000025142743 568752371 /nfs/dbraw/zinc/75/23/71/568752371.db2.gz LWZBADBAYWBSTD-VWLOTQADSA-N 0 0 412.464 5.577 50 0 HKAARN COc1ccc2ccccc2c1-c1nc2ccccc2c(=O)n1CCc1ccc(F)cc1 ZINC000025143172 568752374 /nfs/dbraw/zinc/75/23/74/568752374.db2.gz WZCKGRZFHZFSHH-UHFFFAOYSA-N 0 0 424.475 5.607 50 0 HKAARN Cc1cc(C(=O)N2CCCCC2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025143345 568752443 /nfs/dbraw/zinc/75/24/43/568752443.db2.gz HUCBMZJAWYDJMW-UHFFFAOYSA-N 0 0 414.484 5.161 50 0 HKAARN C[C@@H]1CCCN(C(=O)c2nn(Cc3ccccc3)c3nccc(-c4cccs4)c23)C1 ZINC000025143706 568752496 /nfs/dbraw/zinc/75/24/96/568752496.db2.gz KNNBXDORPCEOKQ-QGZVFWFLSA-N 0 0 416.550 5.080 50 0 HKAARN C[C@H]1CCCN(C(=O)c2nn(Cc3ccccc3)c3nccc(-c4cccs4)c23)C1 ZINC000025143709 568752459 /nfs/dbraw/zinc/75/24/59/568752459.db2.gz KNNBXDORPCEOKQ-KRWDZBQOSA-N 0 0 416.550 5.080 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000025143926 568752593 /nfs/dbraw/zinc/75/25/93/568752593.db2.gz KTISDIWKIPLWRR-NDEPHWFRSA-N 0 0 421.515 6.132 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000025143929 568752539 /nfs/dbraw/zinc/75/25/39/568752539.db2.gz KTISDIWKIPLWRR-MUUNZHRXSA-N 0 0 421.515 6.132 50 0 HKAARN O=C(NCc1ccsc1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025144722 568752708 /nfs/dbraw/zinc/75/27/08/568752708.db2.gz WYOHFXISYHIYOW-UHFFFAOYSA-N 0 0 409.514 5.888 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000025145054 568752795 /nfs/dbraw/zinc/75/27/95/568752795.db2.gz ITOYDCQVRMYPIG-MUUNZHRXSA-N 0 0 421.515 6.132 50 0 HKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000025145056 568752725 /nfs/dbraw/zinc/75/27/25/568752725.db2.gz ITOYDCQVRMYPIG-NDEPHWFRSA-N 0 0 421.515 6.132 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)c1 ZINC000025145094 568752704 /nfs/dbraw/zinc/75/27/04/568752704.db2.gz AULLVIWKUNTYHE-UHFFFAOYSA-N 0 0 417.512 6.135 50 0 HKAARN O=C(NCc1cccs1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025145400 568752584 /nfs/dbraw/zinc/75/25/84/568752584.db2.gz GRYDXYRSYUHWAU-UHFFFAOYSA-N 0 0 409.514 5.888 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025145469 568752631 /nfs/dbraw/zinc/75/26/31/568752631.db2.gz NGLALTILMSPIBZ-UHFFFAOYSA-N 0 0 417.512 6.135 50 0 HKAARN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1)c1ccccc1 ZINC000025145929 568752775 /nfs/dbraw/zinc/75/27/75/568752775.db2.gz IVBLVNCDKNTWFH-LJQANCHMSA-N 0 0 417.512 6.388 50 0 HKAARN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1)c1ccccc1 ZINC000025145932 568752740 /nfs/dbraw/zinc/75/27/40/568752740.db2.gz IVBLVNCDKNTWFH-IBGZPJMESA-N 0 0 417.512 6.388 50 0 HKAARN COc1ccc2nc(-c3c(OC)ccc4ccccc43)n(Cc3ccccc3)c(=O)c2c1 ZINC000025146583 568752719 /nfs/dbraw/zinc/75/27/19/568752719.db2.gz MKZZEUVLAHJDLD-UHFFFAOYSA-N 0 0 422.484 5.282 50 0 HKAARN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000025146717 568752716 /nfs/dbraw/zinc/75/27/16/568752716.db2.gz JEAXVVCIPRBXAP-UHFFFAOYSA-N 0 0 421.475 5.966 50 0 HKAARN CN(Cc1ccco1)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000025148253 568752896 /nfs/dbraw/zinc/75/28/96/568752896.db2.gz ZHWOSBIJHNRVMX-UHFFFAOYSA-N 0 0 407.473 6.319 50 0 HKAARN O=C(c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1)N1Cc2ccccc2C1 ZINC000025148939 568753945 /nfs/dbraw/zinc/75/39/45/568753945.db2.gz DUZKBRVOFYSSTF-UHFFFAOYSA-N 0 0 415.496 6.053 50 0 HKAARN CN(Cc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000025149468 568754056 /nfs/dbraw/zinc/75/40/56/568754056.db2.gz IZXDRYIVVKXPPU-UHFFFAOYSA-N 0 0 401.513 6.600 50 0 HKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc3ccccc32)cc1 ZINC000025150985 568754488 /nfs/dbraw/zinc/75/44/88/568754488.db2.gz GLJPBKPSHQHVQU-UHFFFAOYSA-N 0 0 420.512 6.440 50 0 HKAARN CN(Cc1cccc2ccccc21)c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000025151836 568754486 /nfs/dbraw/zinc/75/44/86/568754486.db2.gz NDOCGDDGUNXQTQ-UHFFFAOYSA-N 0 0 409.920 6.740 50 0 HKAARN CCOc1ccc(-c2nc3ccccc3c(N(C)Cc3cccc4ccccc43)n2)cc1 ZINC000025154285 568754671 /nfs/dbraw/zinc/75/46/71/568754671.db2.gz ZKQBYUZGHXGNPR-UHFFFAOYSA-N 0 0 419.528 6.485 50 0 HKAARN CN(Cc1cccc2ccccc21)c1nc(-c2ccc(F)cc2F)nc2ccccc21 ZINC000025154610 558632928 /nfs/dbraw/zinc/63/29/28/558632928.db2.gz WRFSTSMUEFNWBG-UHFFFAOYSA-N 0 0 411.455 6.365 50 0 HKAARN O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cc2ccccc2s1 ZINC000025154712 568754640 /nfs/dbraw/zinc/75/46/40/568754640.db2.gz LSYUACCIAUHJJZ-UHFFFAOYSA-N 0 0 424.500 7.022 50 0 HKAARN CCCNC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025157106 568754633 /nfs/dbraw/zinc/75/46/33/568754633.db2.gz NHXMKRKFZUVKAJ-UHFFFAOYSA-N 0 0 411.530 6.047 50 0 HKAARN COc1ccc([C@@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C(C)C)cc1 ZINC000025158187 558633055 /nfs/dbraw/zinc/63/30/55/558633055.db2.gz WTHFYBGMMDKLCN-SFHVURJKSA-N 0 0 402.560 5.177 50 0 HKAARN COc1ccc([C@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C(C)C)cc1 ZINC000025158192 558633033 /nfs/dbraw/zinc/63/30/33/558633033.db2.gz WTHFYBGMMDKLCN-GOSISDBHSA-N 0 0 402.560 5.177 50 0 HKAARN O=C(c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1)N1CCC1 ZINC000025158395 568755011 /nfs/dbraw/zinc/75/50/11/568755011.db2.gz JQTZMGBHEWGYRQ-UHFFFAOYSA-N 0 0 409.514 5.753 50 0 HKAARN O=C(NCc1ccccc1)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025158631 568757315 /nfs/dbraw/zinc/75/73/15/568757315.db2.gz HYEGPXJPPNBNTG-UHFFFAOYSA-N 0 0 424.529 5.138 50 0 HKAARN O=C(NCC1CC1)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025159542 568757240 /nfs/dbraw/zinc/75/72/40/568757240.db2.gz PCIAGVDMNRMQSL-UHFFFAOYSA-N 0 0 423.541 6.047 50 0 HKAARN Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000025161862 558633241 /nfs/dbraw/zinc/63/32/41/558633241.db2.gz RSDCFEZMNOCWEU-HNNXBMFYSA-N 0 0 419.554 5.244 50 0 HKAARN Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000025161868 558633322 /nfs/dbraw/zinc/63/33/22/558633322.db2.gz RSDCFEZMNOCWEU-OAHLLOKOSA-N 0 0 419.554 5.244 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1OCC ZINC000025171697 558633661 /nfs/dbraw/zinc/63/36/61/558633661.db2.gz VAWJHCMTTZINSA-UHFFFAOYSA-N 0 0 413.905 5.025 50 0 HKAARN FC(F)(F)c1cccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000025177771 560891304 /nfs/dbraw/zinc/89/13/04/560891304.db2.gz YKNDUJNADAQOGQ-UHFFFAOYSA-N 0 0 409.761 5.099 50 0 HKAARN Fc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2CN2CCOCC2)cc1 ZINC000025178212 560891335 /nfs/dbraw/zinc/89/13/35/560891335.db2.gz UVKUZTAQONESKM-QHCPKHFHSA-N 0 0 407.510 5.155 50 0 HKAARN Fc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2CN2CCOCC2)cc1 ZINC000025178220 560891287 /nfs/dbraw/zinc/89/12/87/560891287.db2.gz UVKUZTAQONESKM-HSZRJFAPSA-N 0 0 407.510 5.155 50 0 HKAARN COc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2CN2CCOCC2)cc1 ZINC000025178230 560891252 /nfs/dbraw/zinc/89/12/52/560891252.db2.gz URUPYTQUYKECIT-DEOSSOPVSA-N 0 0 419.546 5.025 50 0 HKAARN COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2CN2CCOCC2)cc1 ZINC000025178239 560891245 /nfs/dbraw/zinc/89/12/45/560891245.db2.gz URUPYTQUYKECIT-XMMPIXPASA-N 0 0 419.546 5.025 50 0 HKAARN Fc1ccccc1N1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000025180558 558633969 /nfs/dbraw/zinc/63/39/69/558633969.db2.gz SDYIOINMSYTEIX-UHFFFAOYSA-N 0 0 421.463 5.290 50 0 HKAARN CN(C(=O)CSc1ccccc1C(=O)NCCC1=CCCCC1)C1CCCCC1 ZINC000025183406 558634229 /nfs/dbraw/zinc/63/42/29/558634229.db2.gz 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CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000025241903 558635558 /nfs/dbraw/zinc/63/55/58/558635558.db2.gz WWFVBOBSCHJTDU-UHFFFAOYSA-N 0 0 410.518 5.300 50 0 HKAARN CCc1cc2c(ncn(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c2=O)s1 ZINC000025244096 568760677 /nfs/dbraw/zinc/76/06/77/568760677.db2.gz FXCBWKYDZUJJBL-UHFFFAOYSA-N 0 0 421.469 5.211 50 0 HKAARN FC(F)(F)c1nc2ccccc2c(Sc2nnc3sc4ccccc4n23)n1 ZINC000025249305 558635867 /nfs/dbraw/zinc/63/58/67/558635867.db2.gz FPQHVQRYOQPTTG-UHFFFAOYSA-N 0 0 403.414 5.057 50 0 HKAARN CS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC2CCCC2)ccc1Cl ZINC000025265595 558636219 /nfs/dbraw/zinc/63/62/19/558636219.db2.gz YTZUWYVOGZICHQ-UHFFFAOYSA-N 0 0 409.960 5.031 50 0 HKAARN O=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000025267596 568761182 /nfs/dbraw/zinc/76/11/82/568761182.db2.gz BXEKIHJJMBYMBZ-UHFFFAOYSA-N 0 0 414.596 5.274 50 0 HKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000025273184 568762242 /nfs/dbraw/zinc/76/22/42/568762242.db2.gz VGDIMMDMSJFSQE-UHFFFAOYSA-N 0 0 401.919 5.228 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000025275833 558636353 /nfs/dbraw/zinc/63/63/53/558636353.db2.gz WZUKRHAOGKIHMS-UHFFFAOYSA-N 0 0 423.519 5.811 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2ccccc2c1Cl ZINC000025275911 558636444 /nfs/dbraw/zinc/63/64/44/558636444.db2.gz QNDKODDBVSKTCJ-UHFFFAOYSA-N 0 0 401.875 5.250 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000025276253 558636606 /nfs/dbraw/zinc/63/66/06/558636606.db2.gz WUZCJJJSCKPYTB-UHFFFAOYSA-N 0 0 411.458 5.250 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000025276455 558636560 /nfs/dbraw/zinc/63/65/60/558636560.db2.gz ISIASAAEAHGGGH-UHFFFAOYSA-N 0 0 423.444 5.100 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000025276740 568762214 /nfs/dbraw/zinc/76/22/14/568762214.db2.gz BFYIWCFHFCIIGY-UHFFFAOYSA-N 0 0 419.506 5.209 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000025276743 558636616 /nfs/dbraw/zinc/63/66/16/558636616.db2.gz ZBAJOKYTDHYBIO-UHFFFAOYSA-N 0 0 421.478 5.003 50 0 HKAARN Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)cc1C ZINC000025286947 558636799 /nfs/dbraw/zinc/63/67/99/558636799.db2.gz VBGTUEQILKCBNT-OAHLLOKOSA-N 0 0 423.582 5.057 50 0 HKAARN Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)cc1C ZINC000025286952 558636847 /nfs/dbraw/zinc/63/68/47/558636847.db2.gz VBGTUEQILKCBNT-HNNXBMFYSA-N 0 0 423.582 5.057 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F ZINC000025300174 558637122 /nfs/dbraw/zinc/63/71/22/558637122.db2.gz JIXWNYGFAAWQKT-GFCCVEGCSA-N 0 0 422.378 5.031 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F ZINC000025300177 558637083 /nfs/dbraw/zinc/63/70/83/558637083.db2.gz JIXWNYGFAAWQKT-LBPRGKRZSA-N 0 0 422.378 5.031 50 0 HKAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000025302119 558637274 /nfs/dbraw/zinc/63/72/74/558637274.db2.gz ZKFYXDWUITUJKU-UHFFFAOYSA-N 0 0 407.470 5.452 50 0 HKAARN CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)s1 ZINC000025302237 568762412 /nfs/dbraw/zinc/76/24/12/568762412.db2.gz FCZVRRYSBKOTAA-UHFFFAOYSA-N 0 0 403.862 5.575 50 0 HKAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4ccc(C)cc4C)CC3)s2)o1 ZINC000025303126 558637318 /nfs/dbraw/zinc/63/73/18/558637318.db2.gz OGSMDLDEFNPBRI-UHFFFAOYSA-N 0 0 422.550 5.372 50 0 HKAARN c1ccc(COc2ccccc2[C@@H]2Nc3ccccc3-c3nc4ccccc4n32)nc1 ZINC000025308781 558637515 /nfs/dbraw/zinc/63/75/15/558637515.db2.gz SWGDACKRNSVUEZ-AREMUKBSSA-N 0 0 404.473 5.650 50 0 HKAARN c1ccc(COc2ccccc2[C@H]2Nc3ccccc3-c3nc4ccccc4n32)nc1 ZINC000025308784 558637562 /nfs/dbraw/zinc/63/75/62/558637562.db2.gz SWGDACKRNSVUEZ-SANMLTNESA-N 0 0 404.473 5.650 50 0 HKAARN Cc1cccc(-n2c3ccccc3n(CN3CC=C(c4ccccc4)CC3)c2=S)c1 ZINC000025315340 558637776 /nfs/dbraw/zinc/63/77/76/558637776.db2.gz BDFGAHMMLVDMIQ-UHFFFAOYSA-N 0 0 411.574 6.217 50 0 HKAARN CN1c2ccccc2C(C)(C)C1=C[P@@](=O)(Nc1ccc(F)cc1)c1ccccc1 ZINC000025316122 568763614 /nfs/dbraw/zinc/76/36/14/568763614.db2.gz HNMNOSZDBVYWHN-BUZOZPSQSA-N 0 0 406.441 6.160 50 0 HKAARN CC(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)s1 ZINC000025317937 558637651 /nfs/dbraw/zinc/63/76/51/558637651.db2.gz ZCBLTJWYCBPAEQ-UHFFFAOYSA-N 0 0 423.519 5.020 50 0 HKAARN COc1cc(OC)c(NC(=O)c2nc(-c3ccc(Cl)cc3)oc2C)cc1Cl ZINC000025324350 558637994 /nfs/dbraw/zinc/63/79/94/558637994.db2.gz MLOGXPTZKLEOBH-UHFFFAOYSA-N 0 0 407.253 5.226 50 0 HKAARN CCCCc1ccc(-n2c(=S)n(CN3CCOCC3)nc2-c2ccc(C)cc2)cc1 ZINC000025338259 568763338 /nfs/dbraw/zinc/76/33/38/568763338.db2.gz XDERBUKAZCQDTM-UHFFFAOYSA-N 0 0 422.598 5.011 50 0 HKAARN COc1ccc(C)cc1-c1csc(NC(=O)CCCC(=O)c2cccs2)n1 ZINC000025346216 523798402 /nfs/dbraw/zinc/79/84/02/523798402.db2.gz VWXRKUOZGQBNFP-UHFFFAOYSA-N 0 0 400.525 5.180 50 0 HKAARN O=C(CCc1ccccc1O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349612 526613637 /nfs/dbraw/zinc/61/36/37/526613637.db2.gz VPIJTAFQJNSHNU-FQEVSTJZSA-N 0 0 418.924 5.408 50 0 HKAARN O=C(CCc1ccccc1O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349616 526614403 /nfs/dbraw/zinc/61/44/03/526614403.db2.gz VPIJTAFQJNSHNU-HXUWFJFHSA-N 0 0 418.924 5.408 50 0 HKAARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1c(O)ccc2ccccc21 ZINC000025356179 527093281 /nfs/dbraw/zinc/09/32/81/527093281.db2.gz WYEDJDVBDCNDAY-KQWNVCNZSA-N 0 0 407.425 5.682 50 0 HKAARN O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025376691 568764488 /nfs/dbraw/zinc/76/44/88/568764488.db2.gz QKAJRFMSJCAIKO-UHFFFAOYSA-N 0 0 404.335 5.058 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000025378397 558639369 /nfs/dbraw/zinc/63/93/69/558639369.db2.gz QJWQNIKBRHAEDZ-UHFFFAOYSA-N 0 0 409.411 5.635 50 0 HKAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000025388035 558639665 /nfs/dbraw/zinc/63/96/65/558639665.db2.gz YTYLQYKQGMCHQW-UHFFFAOYSA-N 0 0 421.305 5.069 50 0 HKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCc2c(C)noc2C)cc1 ZINC000025389823 558639804 /nfs/dbraw/zinc/63/98/04/558639804.db2.gz HLTOSWPAXLDLAB-UHFFFAOYSA-N 0 0 404.466 5.124 50 0 HKAARN Cc1c(Cl)cccc1N(CC(=O)N(C)c1ccccc1)c1nc2ccccc2s1 ZINC000025390344 558639772 /nfs/dbraw/zinc/63/97/72/558639772.db2.gz MYPYTPQKCNDBJK-UHFFFAOYSA-N 0 0 421.953 6.059 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000025390380 558639760 /nfs/dbraw/zinc/63/97/60/558639760.db2.gz WOXXKTHDYHBKRV-UHFFFAOYSA-N 0 0 412.255 6.071 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000025391420 558639788 /nfs/dbraw/zinc/63/97/88/558639788.db2.gz XXFIJYUZVMUSDQ-UHFFFAOYSA-N 0 0 421.544 5.662 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000025391680 558640007 /nfs/dbraw/zinc/64/00/07/558640007.db2.gz ZTJDZMYPKUEIMT-UHFFFAOYSA-N 0 0 421.544 5.662 50 0 HKAARN CCc1cccc(NC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000025391692 558640002 /nfs/dbraw/zinc/64/00/02/558640002.db2.gz UOWZTBOWNLWXRI-UHFFFAOYSA-N 0 0 421.544 5.608 50 0 HKAARN COc1ccc2c(c1)nc(SCC(=O)c1c[nH]c3ccccc31)cc2-c1ccccc1 ZINC000025392339 558639996 /nfs/dbraw/zinc/63/99/96/558639996.db2.gz MHRYXKKEQPVSPI-UHFFFAOYSA-N 0 0 424.525 6.367 50 0 HKAARN c1sc2nc(CN3CCOCC3)nc(NC3CCCCCC3)c2c1-c1ccccc1 ZINC000025392644 558640035 /nfs/dbraw/zinc/64/00/35/558640035.db2.gz CQPUTVYCWJJCCC-UHFFFAOYSA-N 0 0 422.598 5.325 50 0 HKAARN Cc1nc(NC(=O)CSc2nc3ccccc3n2CC(C)C)c(Cl)cc1Cl ZINC000025392728 558640016 /nfs/dbraw/zinc/64/00/16/558640016.db2.gz IODRESFHXWVIOU-UHFFFAOYSA-N 0 0 423.369 5.433 50 0 HKAARN C[C@@H]1CCCC[C@@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000025397574 558640029 /nfs/dbraw/zinc/64/00/29/558640029.db2.gz WXIRFYHJNRISRN-XLIONFOSSA-N 0 0 422.598 5.181 50 0 HKAARN C[C@H]1CCCC[C@@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000025397580 558639972 /nfs/dbraw/zinc/63/99/72/558639972.db2.gz WXIRFYHJNRISRN-PXNSSMCTSA-N 0 0 422.598 5.181 50 0 HKAARN C[C@@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000025397586 558639989 /nfs/dbraw/zinc/63/99/89/558639989.db2.gz WXIRFYHJNRISRN-YLJYHZDGSA-N 0 0 422.598 5.181 50 0 HKAARN C[C@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000025397591 558640055 /nfs/dbraw/zinc/64/00/55/558640055.db2.gz WXIRFYHJNRISRN-FXAWDEMLSA-N 0 0 422.598 5.181 50 0 HKAARN CC(C)c1csc(NC(=O)c2ccc(C(=O)Nc3nc(C(C)C)cs3)cc2)n1 ZINC000025405109 568766823 /nfs/dbraw/zinc/76/68/23/568766823.db2.gz ZJWTVVLNGIBVME-UHFFFAOYSA-N 0 0 414.556 5.351 50 0 HKAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414392 568767515 /nfs/dbraw/zinc/76/75/15/568767515.db2.gz KWKKKDFQDMOPAC-SFHVURJKSA-N 0 0 412.839 5.143 50 0 HKAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414396 568767481 /nfs/dbraw/zinc/76/74/81/568767481.db2.gz KWKKKDFQDMOPAC-GOSISDBHSA-N 0 0 412.839 5.143 50 0 HKAARN CC(C)(C)OC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000025422681 568767849 /nfs/dbraw/zinc/76/78/49/568767849.db2.gz HGBFIYFKZPWGNW-UHFFFAOYSA-N 0 0 422.472 5.537 50 0 HKAARN Cc1nc2ccc(NCc3cc(=O)oc4cc(Br)ccc34)cc2s1 ZINC000025425935 558640809 /nfs/dbraw/zinc/64/08/09/558640809.db2.gz MFHJSXJHVFJSJD-UHFFFAOYSA-N 0 0 401.285 5.086 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cc2ccccc2nc1N1CCCCC1 ZINC000025426661 132227092 /nfs/dbraw/zinc/22/70/92/132227092.db2.gz CCPSZPYGIYNLSD-QNGOZBTKSA-N 0 0 417.896 5.223 50 0 HKAARN Cc1c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cnn1-c1ccc(Cl)cc1 ZINC000025434169 568767243 /nfs/dbraw/zinc/76/72/43/568767243.db2.gz DHQJLRPTKMGUNG-UHFFFAOYSA-N 0 0 412.223 5.341 50 0 HKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)o1 ZINC000025447327 558641381 /nfs/dbraw/zinc/64/13/81/558641381.db2.gz CIRHBXHXFDCCQA-UHFFFAOYSA-N 0 0 418.522 5.718 50 0 HKAARN COc1ccc(Oc2cc(NC(=O)c3cccc4ncccc43)ccc2OC)cc1 ZINC000025467151 558641869 /nfs/dbraw/zinc/64/18/69/558641869.db2.gz YQJNGQPLPPYHJS-UHFFFAOYSA-N 0 0 400.434 5.297 50 0 HKAARN C[C@@H]1CCc2c(sc3[nH]c(CN(C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480392 524726779 /nfs/dbraw/zinc/72/67/79/524726779.db2.gz JEKNXUHMFCRAHG-OAHLLOKOSA-N 0 0 409.599 5.039 50 0 HKAARN C[C@H]1CCc2c(sc3[nH]c(CN(C)Cc4ccc(C(C)(C)C)cc4)nc(=O)c23)C1 ZINC000025480394 524436966 /nfs/dbraw/zinc/43/69/66/524436966.db2.gz JEKNXUHMFCRAHG-HNNXBMFYSA-N 0 0 409.599 5.039 50 0 HKAARN COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025504102 558642365 /nfs/dbraw/zinc/64/23/65/558642365.db2.gz MLHWUXUTDHHXKI-REFWVTMDSA-N 0 0 419.322 5.385 50 0 HKAARN COc1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCCCCCCCCC4)N23)cc1 ZINC000025504114 558642359 /nfs/dbraw/zinc/64/23/59/558642359.db2.gz FNBKCOOEYMPQGK-KXNYULQOSA-N 0 0 416.609 6.924 50 0 HKAARN COc1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCCCCCCCCC4)N32)cc1 ZINC000025504116 558642332 /nfs/dbraw/zinc/64/23/32/558642332.db2.gz FNBKCOOEYMPQGK-SDLWSTGNSA-N 0 0 416.609 6.924 50 0 HKAARN COc1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCCCCCCCC4)N32)cc1 ZINC000025504120 558642310 /nfs/dbraw/zinc/64/23/10/558642310.db2.gz FNBKCOOEYMPQGK-QERCTFSXSA-N 0 0 416.609 6.924 50 0 HKAARN COc1ccc([C@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCCCCCCCC4)N32)cc1 ZINC000025504124 558642285 /nfs/dbraw/zinc/64/22/85/558642285.db2.gz FNBKCOOEYMPQGK-WPVVHWIUSA-N 0 0 416.609 6.924 50 0 HKAARN Clc1ccc([C@@H]2N=C(c3ccc(Br)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025504187 558642291 /nfs/dbraw/zinc/64/22/91/558642291.db2.gz LYDNKZCLCAPWHA-LLNWNZGGSA-N 0 0 423.741 6.030 50 0 HKAARN Clc1ccc([C@@H]2N=C(c3ccc(Br)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000025504195 558642330 /nfs/dbraw/zinc/64/23/30/558642330.db2.gz LYDNKZCLCAPWHA-CHJIAWOGSA-N 0 0 423.741 6.030 50 0 HKAARN COc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)[C@@H]2[C@@H](c3ccccc3)N21 ZINC000025504202 558642345 /nfs/dbraw/zinc/64/23/45/558642345.db2.gz IPKXJAZVJRQVSG-FUKBKCBYSA-N 0 0 419.322 5.385 50 0 HKAARN COc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)[C@H]2[C@@H](c3ccccc3)N21 ZINC000025504210 558642343 /nfs/dbraw/zinc/64/23/43/558642343.db2.gz IPKXJAZVJRQVSG-ZZOOTDKOSA-N 0 0 419.322 5.385 50 0 HKAARN Cc1cccc(C2(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CCC2)c1 ZINC000025504988 568773127 /nfs/dbraw/zinc/77/31/27/568773127.db2.gz XKNJZFWGOVCQBK-UHFFFAOYSA-N 0 0 400.526 5.040 50 0 HKAARN Cc1cc(C)cc(N(C(=O)CCNC(=O)C(C)(C)C)c2nc3ccccc3s2)c1 ZINC000025510544 558642326 /nfs/dbraw/zinc/64/23/26/558642326.db2.gz XTMMCHPVIIWAES-UHFFFAOYSA-N 0 0 409.555 5.130 50 0 HKAARN CC(=O)Nc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)ccc1F ZINC000025511439 568773674 /nfs/dbraw/zinc/77/36/74/568773674.db2.gz ARIZISYFYWNEFC-UHFFFAOYSA-N 0 0 417.415 5.391 50 0 HKAARN Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3)c3c(C)noc3n2)c(C)o1 ZINC000025512149 558642306 /nfs/dbraw/zinc/64/23/06/558642306.db2.gz PUYILJCHZMUSGL-OAQYLSRUSA-N 0 0 401.466 5.385 50 0 HKAARN Cc1cc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)c3c(C)noc3n2)c(C)o1 ZINC000025512152 558642296 /nfs/dbraw/zinc/64/22/96/558642296.db2.gz PUYILJCHZMUSGL-NRFANRHFSA-N 0 0 401.466 5.385 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000025519339 568772632 /nfs/dbraw/zinc/77/26/32/568772632.db2.gz ORDYLQWJGHEOMP-HXUWFJFHSA-N 0 0 406.551 5.186 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000025519343 568772708 /nfs/dbraw/zinc/77/27/08/568772708.db2.gz ORDYLQWJGHEOMP-FQEVSTJZSA-N 0 0 406.551 5.186 50 0 HKAARN COc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025529491 568774427 /nfs/dbraw/zinc/77/44/27/568774427.db2.gz UWZYJPVAUIILSM-UHFFFAOYSA-N 0 0 407.413 5.619 50 0 HKAARN COc1ccccc1CN(Cc1cccs1)C(=O)Cc1csc(-c2ccco2)n1 ZINC000025529806 558642700 /nfs/dbraw/zinc/64/27/00/558642700.db2.gz AYNSQNZWRZEASC-UHFFFAOYSA-N 0 0 424.547 5.245 50 0 HKAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000025535749 558642981 /nfs/dbraw/zinc/64/29/81/558642981.db2.gz WWSZWAMCTSIHCR-UHFFFAOYSA-N 0 0 413.568 5.725 50 0 HKAARN CCOC(=O)C1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 ZINC000025539543 558643177 /nfs/dbraw/zinc/64/31/77/558643177.db2.gz WXVHMYKKBBKOTR-UHFFFAOYSA-N 0 0 417.534 5.291 50 0 HKAARN Cc1c(Br)cccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000025539656 558643347 /nfs/dbraw/zinc/64/33/47/558643347.db2.gz BOXUAKXRCQPJSK-NTCAYCPXSA-N 0 0 422.322 5.988 50 0 HKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1c3cccc4cccc(c34)[C@H]12 ZINC000025540471 558643377 /nfs/dbraw/zinc/64/33/77/558643377.db2.gz YZJNINMFAVGVBQ-ALJLHCSFSA-N 0 0 412.532 7.241 50 0 HKAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1c3cccc4cccc(c34)[C@H]12 ZINC000025540476 558643437 /nfs/dbraw/zinc/64/34/37/558643437.db2.gz YZJNINMFAVGVBQ-BCIHRMBNSA-N 0 0 412.532 7.241 50 0 HKAARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000025549716 569357646 /nfs/dbraw/zinc/35/76/46/569357646.db2.gz BVLATQJWOBJIGT-JRMSDDHXSA-N 0 0 424.713 8.089 50 0 HKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000025552525 569357669 /nfs/dbraw/zinc/35/76/69/569357669.db2.gz PUGBZUWUTZUUCP-AZDQDNTNSA-N 0 0 400.691 7.635 50 0 HKAARN CO[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]1(C)CC3 ZINC000025552727 569357631 /nfs/dbraw/zinc/35/76/31/569357631.db2.gz ANHYVSUOAWVKKC-NBCSKUQDSA-N 0 0 412.702 8.209 50 0 HKAARN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000025552836 558643648 /nfs/dbraw/zinc/64/36/48/558643648.db2.gz FUUPHHVMOSNLTD-DUUUWNCASA-N 0 0 422.653 7.691 50 0 HKAARN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]31 ZINC000025552840 558643700 /nfs/dbraw/zinc/64/37/00/558643700.db2.gz FUUPHHVMOSNLTD-AJNNMHBQSA-N 0 0 422.653 7.691 50 0 HKAARN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000025552844 558643652 /nfs/dbraw/zinc/64/36/52/558643652.db2.gz FUUPHHVMOSNLTD-WOXPUFMCSA-N 0 0 422.653 7.691 50 0 HKAARN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000025552848 558643635 /nfs/dbraw/zinc/64/36/35/558643635.db2.gz FUUPHHVMOSNLTD-IMIDKQIJSA-N 0 0 422.653 7.691 50 0 HKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]21C ZINC000025555343 569357651 /nfs/dbraw/zinc/35/76/51/569357651.db2.gz HXZHKSJRLUJGSY-OTMYABIWSA-N 0 0 404.591 5.325 50 0 HKAARN CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000025555390 569357655 /nfs/dbraw/zinc/35/76/55/569357655.db2.gz HEBSTICEHROLMY-VRZLJCHHSA-N 0 0 416.602 5.373 50 0 HKAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000025555393 569357649 /nfs/dbraw/zinc/35/76/49/569357649.db2.gz HEBSTICEHROLMY-ASFPMFTBSA-N 0 0 416.602 5.373 50 0 HKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558829 558643684 /nfs/dbraw/zinc/64/36/84/558643684.db2.gz GPOHDEGIIXLODR-MJGOQNOKSA-N 0 0 405.723 5.772 50 0 HKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000025558833 558643633 /nfs/dbraw/zinc/64/36/33/558643633.db2.gz GPOHDEGIIXLODR-IEBWSBKVSA-N 0 0 405.723 5.772 50 0 HKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000025559222 558643626 /nfs/dbraw/zinc/64/36/26/558643626.db2.gz BRGNUEDQCNLUQT-PXNSSMCTSA-N 0 0 421.324 5.680 50 0 HKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000025559226 558643654 /nfs/dbraw/zinc/64/36/54/558643654.db2.gz BRGNUEDQCNLUQT-FXAWDEMLSA-N 0 0 421.324 5.680 50 0 HKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000025559230 558643690 /nfs/dbraw/zinc/64/36/90/558643690.db2.gz BRGNUEDQCNLUQT-XLIONFOSSA-N 0 0 421.324 5.680 50 0 HKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000025559233 558643675 /nfs/dbraw/zinc/64/36/75/558643675.db2.gz BRGNUEDQCNLUQT-YLJYHZDGSA-N 0 0 421.324 5.680 50 0 HKAARN O=C(Nc1ccc(Br)cc1)Nc1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000025559253 558643666 /nfs/dbraw/zinc/64/36/66/558643666.db2.gz KWQSWVQJAZXFGR-UHFFFAOYSA-N 0 0 415.290 6.894 50 0 HKAARN CCc1cccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1CC ZINC000025560668 558643905 /nfs/dbraw/zinc/64/39/05/558643905.db2.gz KSFUJBAZENRNJD-SFHVURJKSA-N 0 0 422.472 5.272 50 0 HKAARN CCc1cccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1CC ZINC000025560672 558643910 /nfs/dbraw/zinc/64/39/10/558643910.db2.gz KSFUJBAZENRNJD-GOSISDBHSA-N 0 0 422.472 5.272 50 0 HKAARN CCOC(=O)[C@@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 ZINC000025562686 132486682 /nfs/dbraw/zinc/48/66/82/132486682.db2.gz XXUJGIBJYRPXTC-MRXNPFEDSA-N 0 0 417.534 5.291 50 0 HKAARN CCOC(=O)[C@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 ZINC000025562689 568821505 /nfs/dbraw/zinc/82/15/05/568821505.db2.gz XXUJGIBJYRPXTC-INIZCTEOSA-N 0 0 417.534 5.291 50 0 HKAARN O=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000025564029 558643815 /nfs/dbraw/zinc/64/38/15/558643815.db2.gz HDDCUCRRBATEOU-UHFFFAOYSA-N 0 0 405.454 5.734 50 0 HKAARN O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)N1C(=O)OC[C@H]1c1ccccc1 ZINC000025572677 558644150 /nfs/dbraw/zinc/64/41/50/558644150.db2.gz LZMYNXHWLOJCFQ-DACFSCGWSA-N 0 0 422.484 5.423 50 0 HKAARN O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000025572683 558644172 /nfs/dbraw/zinc/64/41/72/558644172.db2.gz LZMYNXHWLOJCFQ-KVACCUTFSA-N 0 0 422.484 5.423 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000025572723 558644153 /nfs/dbraw/zinc/64/41/53/558644153.db2.gz YIIGYUNCCICRRB-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000025572728 558644175 /nfs/dbraw/zinc/64/41/75/558644175.db2.gz YIIGYUNCCICRRB-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](C1CCCCC1)O2 ZINC000025572995 568439982 /nfs/dbraw/zinc/43/99/82/568439982.db2.gz OFLFWKSYDDEGJF-XLIONFOSSA-N 0 0 401.304 5.492 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573035 558644309 /nfs/dbraw/zinc/64/43/09/558644309.db2.gz OPNMMOOPESGRMH-PXNSSMCTSA-N 0 0 413.246 5.424 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573042 558644323 /nfs/dbraw/zinc/64/43/23/558644323.db2.gz OPNMMOOPESGRMH-FXAWDEMLSA-N 0 0 413.246 5.424 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573049 558644311 /nfs/dbraw/zinc/64/43/11/558644311.db2.gz OPNMMOOPESGRMH-XLIONFOSSA-N 0 0 413.246 5.424 50 0 HKAARN Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025573055 558644302 /nfs/dbraw/zinc/64/43/02/558644302.db2.gz OPNMMOOPESGRMH-YLJYHZDGSA-N 0 0 413.246 5.424 50 0 HKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000025576301 569053805 /nfs/dbraw/zinc/05/38/05/569053805.db2.gz ALAGMANZMPMQEH-WMZHIEFXSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000025576307 569053801 /nfs/dbraw/zinc/05/38/01/569053801.db2.gz ALAGMANZMPMQEH-AUSIDOKSSA-N 0 0 404.853 5.311 50 0 HKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCC1)O2 ZINC000025576633 569053813 /nfs/dbraw/zinc/05/38/13/569053813.db2.gz LIJKRHBQMNUOKK-JOCHJYFZSA-N 0 0 423.343 6.960 50 0 HKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCC1)O2 ZINC000025576638 569053794 /nfs/dbraw/zinc/05/37/94/569053794.db2.gz LIJKRHBQMNUOKK-QFIPXVFZSA-N 0 0 423.343 6.960 50 0 HKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576644 569053793 /nfs/dbraw/zinc/05/37/93/569053793.db2.gz CYGFBDPINSJTHV-YADHBBJMSA-N 0 0 411.332 6.816 50 0 HKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576650 569053781 /nfs/dbraw/zinc/05/37/81/569053781.db2.gz CYGFBDPINSJTHV-FGZHOGPDSA-N 0 0 411.332 6.816 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576656 569053807 /nfs/dbraw/zinc/05/38/07/569053807.db2.gz FUJUJDABVWGXFE-GMAHTHKFSA-N 0 0 421.338 6.128 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576662 569053810 /nfs/dbraw/zinc/05/38/10/569053810.db2.gz FUJUJDABVWGXFE-JTHBVZDNSA-N 0 0 421.338 6.128 50 0 HKAARN CC(C)[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576668 569053783 /nfs/dbraw/zinc/05/37/83/569053783.db2.gz FUJUJDABVWGXFE-GGAORHGYSA-N 0 0 421.338 6.128 50 0 HKAARN CC(C)[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025576675 569053809 /nfs/dbraw/zinc/05/38/09/569053809.db2.gz FUJUJDABVWGXFE-FYYLOGMGSA-N 0 0 421.338 6.128 50 0 HKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025576822 569053817 /nfs/dbraw/zinc/05/38/17/569053817.db2.gz UZMDSMZHXIQDKE-VPUSJEBWSA-N 0 0 406.485 6.091 50 0 HKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025576828 569053778 /nfs/dbraw/zinc/05/37/78/569053778.db2.gz UZMDSMZHXIQDKE-XNMGPUDCSA-N 0 0 406.485 6.091 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577067 569053820 /nfs/dbraw/zinc/05/38/20/569053820.db2.gz CZQZDTLCAQYKNX-BDYUSTAISA-N 0 0 424.931 7.044 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577073 569053806 /nfs/dbraw/zinc/05/38/06/569053806.db2.gz CZQZDTLCAQYKNX-AHKZPQOWSA-N 0 0 424.931 7.044 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577081 569053795 /nfs/dbraw/zinc/05/37/95/569053795.db2.gz CZQZDTLCAQYKNX-VPUSJEBWSA-N 0 0 424.931 7.044 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000025577087 569053870 /nfs/dbraw/zinc/05/38/70/569053870.db2.gz CZQZDTLCAQYKNX-XNMGPUDCSA-N 0 0 424.931 7.044 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2 ZINC000025577541 569053837 /nfs/dbraw/zinc/05/38/37/569053837.db2.gz FUAJTTSBRFIAJX-HSZRJFAPSA-N 0 0 402.925 6.697 50 0 HKAARN CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577583 569053856 /nfs/dbraw/zinc/05/38/56/569053856.db2.gz ZAIFMZZEMNREOG-GGAORHGYSA-N 0 0 411.332 6.672 50 0 HKAARN CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577588 569053844 /nfs/dbraw/zinc/05/38/44/569053844.db2.gz ZAIFMZZEMNREOG-FYYLOGMGSA-N 0 0 411.332 6.672 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C(C)C)cc1OC ZINC000025579164 558644538 /nfs/dbraw/zinc/64/45/38/558644538.db2.gz JRAZUURDSZAUTD-LAUBAEHRSA-N 0 0 421.324 5.536 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C(C)C)cc1OC ZINC000025579169 558644530 /nfs/dbraw/zinc/64/45/30/558644530.db2.gz JRAZUURDSZAUTD-UWJYYQICSA-N 0 0 421.324 5.536 50 0 HKAARN O=C(CSc1nc2ccccc2c(=S)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000025579832 558644618 /nfs/dbraw/zinc/64/46/18/558644618.db2.gz SFHBFLMLSFXAAK-UHFFFAOYSA-N 0 0 422.962 6.383 50 0 HKAARN COc1ccccc1[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025581835 558644606 /nfs/dbraw/zinc/64/46/06/558644606.db2.gz VMAMYDANOQOVBS-GBXCKJPGSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccccc1[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025581840 558644491 /nfs/dbraw/zinc/64/44/91/558644491.db2.gz VMAMYDANOQOVBS-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000025581888 558644481 /nfs/dbraw/zinc/64/44/81/558644481.db2.gz LWPFKCPDXILEFX-ISKFKSNPSA-N 0 0 404.897 5.899 50 0 HKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccc(OC)c3)=NN21 ZINC000025582006 558644608 /nfs/dbraw/zinc/64/46/08/558644608.db2.gz MZRTTYBZJQYLAF-QUCCMNQESA-N 0 0 401.304 5.127 50 0 HKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccc(OC)c3)=NN21 ZINC000025582011 558644590 /nfs/dbraw/zinc/64/45/90/558644590.db2.gz MZRTTYBZJQYLAF-UYAOXDASSA-N 0 0 401.304 5.127 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000025582321 558644615 /nfs/dbraw/zinc/64/46/15/558644615.db2.gz LELGUUHIWYEYTA-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000025582328 558644620 /nfs/dbraw/zinc/64/46/20/558644620.db2.gz LELGUUHIWYEYTA-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000025582331 558644543 /nfs/dbraw/zinc/64/45/43/558644543.db2.gz LELGUUHIWYEYTA-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000025582336 558644703 /nfs/dbraw/zinc/64/47/03/558644703.db2.gz LELGUUHIWYEYTA-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C)c1 ZINC000025582365 558644687 /nfs/dbraw/zinc/64/46/87/558644687.db2.gz WMKWCSATMUZUNX-UPVQGACJSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C)c1 ZINC000025582371 558644750 /nfs/dbraw/zinc/64/47/50/558644750.db2.gz WMKWCSATMUZUNX-LADGPHEKSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C)c1 ZINC000025582377 558644709 /nfs/dbraw/zinc/64/47/09/558644709.db2.gz WMKWCSATMUZUNX-VWNXMTODSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C)c1 ZINC000025582383 558644738 /nfs/dbraw/zinc/64/47/38/558644738.db2.gz WMKWCSATMUZUNX-ISKFKSNPSA-N 0 0 423.343 6.853 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582434 558644768 /nfs/dbraw/zinc/64/47/68/558644768.db2.gz DXQIZTGDUMNTFG-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582440 558644757 /nfs/dbraw/zinc/64/47/57/558644757.db2.gz DXQIZTGDUMNTFG-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582445 558644745 /nfs/dbraw/zinc/64/47/45/558644745.db2.gz DXQIZTGDUMNTFG-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582449 558644778 /nfs/dbraw/zinc/64/47/78/558644778.db2.gz DXQIZTGDUMNTFG-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025582575 558644698 /nfs/dbraw/zinc/64/46/98/558644698.db2.gz WWXYZRFIJIPQOJ-URXFXBBRSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025582581 558644766 /nfs/dbraw/zinc/64/47/66/558644766.db2.gz WWXYZRFIJIPQOJ-XUZZJYLKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025582586 558644752 /nfs/dbraw/zinc/64/47/52/558644752.db2.gz WWXYZRFIJIPQOJ-QPPBQGQZSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025582592 558644735 /nfs/dbraw/zinc/64/47/35/558644735.db2.gz WWXYZRFIJIPQOJ-ZJSXRUAMSA-N 0 0 422.887 6.120 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c(C)c1 ZINC000025582597 558644683 /nfs/dbraw/zinc/64/46/83/558644683.db2.gz NGSZYDCOZFRPGO-VWNXMTODSA-N 0 0 406.888 6.338 50 0 HKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c(C)c1 ZINC000025582603 558644728 /nfs/dbraw/zinc/64/47/28/558644728.db2.gz NGSZYDCOZFRPGO-ISKFKSNPSA-N 0 0 406.888 6.338 50 0 HKAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000025582685 558644706 /nfs/dbraw/zinc/64/47/06/558644706.db2.gz FIZVMBRXJJJMHK-OFVILXPXSA-N 0 0 400.478 5.255 50 0 HKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1OC ZINC000025582690 558644691 /nfs/dbraw/zinc/64/46/91/558644691.db2.gz FIZVMBRXJJJMHK-BWKNWUBXSA-N 0 0 400.478 5.255 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000025582696 558644716 /nfs/dbraw/zinc/64/47/16/558644716.db2.gz WBKAIRMTZFADDV-GJZUVCINSA-N 0 0 414.505 5.645 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1OC ZINC000025582700 558644762 /nfs/dbraw/zinc/64/47/62/558644762.db2.gz WBKAIRMTZFADDV-ATIYNZHBSA-N 0 0 414.505 5.645 50 0 HKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000025582890 558644741 /nfs/dbraw/zinc/64/47/41/558644741.db2.gz YOYDGAKQGHRCNZ-ISKFKSNPSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1)O2 ZINC000025582946 558644712 /nfs/dbraw/zinc/64/47/12/558644712.db2.gz MMIWJINCWMWRSN-ISKFKSNPSA-N 0 0 404.897 5.981 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583001 558644723 /nfs/dbraw/zinc/64/47/23/558644723.db2.gz DKRJXBYZGLTOTL-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583007 558644776 /nfs/dbraw/zinc/64/47/76/558644776.db2.gz DKRJXBYZGLTOTL-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583011 558644774 /nfs/dbraw/zinc/64/47/74/558644774.db2.gz DKRJXBYZGLTOTL-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583017 558644695 /nfs/dbraw/zinc/64/46/95/558644695.db2.gz DKRJXBYZGLTOTL-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025583143 558644771 /nfs/dbraw/zinc/64/47/71/558644771.db2.gz HVKNKCULPYIGIA-QPPBQGQZSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000025583149 558644944 /nfs/dbraw/zinc/64/49/44/558644944.db2.gz HVKNKCULPYIGIA-ZJSXRUAMSA-N 0 0 404.441 5.085 50 0 HKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025583233 558645017 /nfs/dbraw/zinc/64/50/17/558645017.db2.gz HLZUBVKOJKBIIE-YKSBVNFPSA-N 0 0 404.441 5.085 50 0 HKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1OC ZINC000025583238 558645016 /nfs/dbraw/zinc/64/50/16/558645016.db2.gz HLZUBVKOJKBIIE-HYBUGGRVSA-N 0 0 404.441 5.085 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000025583325 558644940 /nfs/dbraw/zinc/64/49/40/558644940.db2.gz HCTZOJSRSXFYLI-BWKNWUBXSA-N 0 0 400.478 5.336 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000025583330 558644985 /nfs/dbraw/zinc/64/49/85/558644985.db2.gz HCTZOJSRSXFYLI-PXDATVDWSA-N 0 0 400.478 5.336 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000025583570 558645002 /nfs/dbraw/zinc/64/50/02/558645002.db2.gz ZDSMBFCZENIMEJ-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 ZINC000025583576 558644925 /nfs/dbraw/zinc/64/49/25/558644925.db2.gz ZDSMBFCZENIMEJ-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN O=C(CSc1ncnc2ccsc21)N1c2ccccc2CCc2ccccc21 ZINC000025584489 558645011 /nfs/dbraw/zinc/64/50/11/558645011.db2.gz XDKDIKONOPDDIV-UHFFFAOYSA-N 0 0 403.532 5.247 50 0 HKAARN Clc1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025586312 558644883 /nfs/dbraw/zinc/64/48/83/558644883.db2.gz IIOKXQGXWDBTOB-VSIHYXFCSA-N 0 0 421.028 7.569 50 0 HKAARN Clc1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 ZINC000025586317 558644957 /nfs/dbraw/zinc/64/49/57/558644957.db2.gz IIOKXQGXWDBTOB-RSWNPTKKSA-N 0 0 421.028 7.569 50 0 HKAARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1OC ZINC000025586347 558644989 /nfs/dbraw/zinc/64/49/89/558644989.db2.gz NFGMDTLOCXECTL-WOOZGKCQSA-N 0 0 404.897 5.284 50 0 HKAARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1OC ZINC000025586358 558645027 /nfs/dbraw/zinc/64/50/27/558645027.db2.gz NFGMDTLOCXECTL-XCBKLIHMSA-N 0 0 404.897 5.284 50 0 HKAARN Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025586399 558644964 /nfs/dbraw/zinc/64/49/64/558644964.db2.gz HERMCSUPISYYCQ-REFWVTMDSA-N 0 0 403.323 5.685 50 0 HKAARN Cc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000025593696 568823249 /nfs/dbraw/zinc/82/32/49/568823249.db2.gz CAVGHHBLWJIFBJ-UHFFFAOYSA-N 0 0 419.472 5.177 50 0 HKAARN C[C@@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc2S1 ZINC000025597754 568823289 /nfs/dbraw/zinc/82/32/89/568823289.db2.gz HEEPMJPBFBOPLS-CQSZACIVSA-N 0 0 414.527 5.392 50 0 HKAARN C[C@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc2S1 ZINC000025597759 568823267 /nfs/dbraw/zinc/82/32/67/568823267.db2.gz HEEPMJPBFBOPLS-AWEZNQCLSA-N 0 0 414.527 5.392 50 0 HKAARN CCn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 ZINC000025607305 558645787 /nfs/dbraw/zinc/64/57/87/558645787.db2.gz MDOBBJLWQGANHH-UHFFFAOYSA-N 0 0 423.973 5.519 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000025613765 558645938 /nfs/dbraw/zinc/64/59/38/558645938.db2.gz DMTCKJGHORZRMT-UHFFFAOYSA-N 0 0 402.479 5.435 50 0 HKAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025616728 558645986 /nfs/dbraw/zinc/64/59/86/558645986.db2.gz VUHRNIBMBUHYSF-CQSZACIVSA-N 0 0 404.457 5.591 50 0 HKAARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025616732 558645936 /nfs/dbraw/zinc/64/59/36/558645936.db2.gz VUHRNIBMBUHYSF-AWEZNQCLSA-N 0 0 404.457 5.591 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC ZINC000025617668 568835108 /nfs/dbraw/zinc/83/51/08/568835108.db2.gz PFYAPILNQPSIHG-FQEVSTJZSA-N 0 0 410.901 5.191 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC ZINC000025617673 568835038 /nfs/dbraw/zinc/83/50/38/568835038.db2.gz PFYAPILNQPSIHG-HXUWFJFHSA-N 0 0 410.901 5.191 50 0 HKAARN Cc1c(Cl)cccc1-n1ccnc1SCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025621611 558646124 /nfs/dbraw/zinc/64/61/24/558646124.db2.gz CRTOAOWFRVFLKV-UHFFFAOYSA-N 0 0 411.958 5.362 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-n2ccnc2)nc1 ZINC000025655059 558646674 /nfs/dbraw/zinc/64/66/74/558646674.db2.gz ARRSHOBPBMIKRI-UHFFFAOYSA-N 0 0 423.501 5.310 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000025668924 558647224 /nfs/dbraw/zinc/64/72/24/558647224.db2.gz GJQWJWNHXXPUKN-UHFFFAOYSA-N 0 0 402.479 5.435 50 0 HKAARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025675211 558647439 /nfs/dbraw/zinc/64/74/39/558647439.db2.gz SHIAWWZKUSEABE-UHFFFAOYSA-N 0 0 412.493 5.274 50 0 HKAARN CC(C)n1c(=O)c2ccccc2nc1SCc1csc(Nc2ccccc2)n1 ZINC000025677148 558647413 /nfs/dbraw/zinc/64/74/13/558647413.db2.gz PPPQEDYEBKNIAT-UHFFFAOYSA-N 0 0 408.552 5.470 50 0 HKAARN Cc1cccc2c1NC(=O)[C@@]21NC[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686066 558647867 /nfs/dbraw/zinc/64/78/67/558647867.db2.gz CCFQSLGUMVNBMA-SSOJOUAXSA-N 0 0 413.908 5.061 50 0 HKAARN Cc1cccc2c1NC(=O)[C@]21NC[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686069 558647880 /nfs/dbraw/zinc/64/78/80/558647880.db2.gz CCFQSLGUMVNBMA-GKVSMKOHSA-N 0 0 413.908 5.061 50 0 HKAARN Cc1cccc2c1NC(=O)[C@@]21NC[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686072 558647775 /nfs/dbraw/zinc/64/77/75/558647775.db2.gz CCFQSLGUMVNBMA-CRICUBBOSA-N 0 0 413.908 5.061 50 0 HKAARN Cc1cccc2c1NC(=O)[C@]21NC[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000025686075 558647810 /nfs/dbraw/zinc/64/78/10/558647810.db2.gz CCFQSLGUMVNBMA-NSYGIPOTSA-N 0 0 413.908 5.061 50 0 HKAARN CC(=O)c1c(C)cc(C)c(CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000025691113 568909109 /nfs/dbraw/zinc/90/91/09/568909109.db2.gz NYDHYHUGQCQORH-MRXNPFEDSA-N 0 0 423.500 6.094 50 0 HKAARN CC(=O)c1c(C)cc(C)c(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000025691117 568909277 /nfs/dbraw/zinc/90/92/77/568909277.db2.gz NYDHYHUGQCQORH-INIZCTEOSA-N 0 0 423.500 6.094 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O[C@H](c1ccccc1)[C@@H](C)c1ccccc1 ZINC000025691606 569012818 /nfs/dbraw/zinc/01/28/18/569012818.db2.gz YPMQXOFDCXSPCT-FAYRPWDUSA-N 0 0 408.582 6.552 50 0 HKAARN CCCCCCOC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000025691727 558648074 /nfs/dbraw/zinc/64/80/74/558648074.db2.gz DMRXGPJLFKCOJL-UHFFFAOYSA-N 0 0 409.313 6.375 50 0 HKAARN COc1cccc2c1CC[C@@H]1[C@H]2CC[C@@H]2C[C@H](OC(=O)c3ccccc3)CC[C@@]21C ZINC000025691930 558648092 /nfs/dbraw/zinc/64/80/92/558648092.db2.gz HSLOORALMSUDQM-XCANOERRSA-N 0 0 404.550 6.167 50 0 HKAARN Cc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000025695069 569012846 /nfs/dbraw/zinc/01/28/46/569012846.db2.gz ZDXKGQMSNOWJBI-UHFFFAOYSA-N 0 0 419.956 5.588 50 0 HKAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000025712588 558648440 /nfs/dbraw/zinc/64/84/40/558648440.db2.gz NUDJVGDBKUGDMR-IBGZPJMESA-N 0 0 413.468 5.035 50 0 HKAARN Cn1cccc1[C@H]1CCCCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000025712594 558648424 /nfs/dbraw/zinc/64/84/24/558648424.db2.gz NUDJVGDBKUGDMR-LJQANCHMSA-N 0 0 413.468 5.035 50 0 HKAARN CC1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000025720378 558648644 /nfs/dbraw/zinc/64/86/44/558648644.db2.gz FFMWOEAQZRLFTF-UHFFFAOYSA-N 0 0 422.598 5.181 50 0 HKAARN Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000025733291 568913362 /nfs/dbraw/zinc/91/33/62/568913362.db2.gz GDNGJEYYVHTTOQ-UHFFFAOYSA-N 0 0 418.562 5.142 50 0 HKAARN c1ccc(Cn2c(CN3CCCC3)nnc2SCc2cccc3ccccc32)cc1 ZINC000025746548 568913559 /nfs/dbraw/zinc/91/35/59/568913559.db2.gz SADVRTQYNPAJBA-UHFFFAOYSA-N 0 0 414.578 5.368 50 0 HKAARN Cc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)ccc1C(C)C ZINC000025777346 568914110 /nfs/dbraw/zinc/91/41/10/568914110.db2.gz ALPNRCHCOCRORB-UHFFFAOYSA-N 0 0 423.582 5.236 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782173 558649747 /nfs/dbraw/zinc/64/97/47/558649747.db2.gz NQVQBGWJWSOPMY-URXFXBBRSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782175 558649763 /nfs/dbraw/zinc/64/97/63/558649763.db2.gz NQVQBGWJWSOPMY-XUZZJYLKSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782177 558649771 /nfs/dbraw/zinc/64/97/71/558649771.db2.gz NQVQBGWJWSOPMY-QPPBQGQZSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782179 558649739 /nfs/dbraw/zinc/64/97/39/558649739.db2.gz NQVQBGWJWSOPMY-ZJSXRUAMSA-N 0 0 404.897 5.981 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000025782210 558649792 /nfs/dbraw/zinc/64/97/92/558649792.db2.gz GFXLXCXDLLXLJR-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000025782212 558649693 /nfs/dbraw/zinc/64/96/93/558649693.db2.gz GFXLXCXDLLXLJR-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000025782214 558649781 /nfs/dbraw/zinc/64/97/81/558649781.db2.gz GFXLXCXDLLXLJR-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1Br ZINC000025782216 558649750 /nfs/dbraw/zinc/64/97/50/558649750.db2.gz GFXLXCXDLLXLJR-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000025782248 558649743 /nfs/dbraw/zinc/64/97/43/558649743.db2.gz GUHSLWYYAGMEFA-JTHBVZDNSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 ZINC000025782250 558649732 /nfs/dbraw/zinc/64/97/32/558649732.db2.gz GUHSLWYYAGMEFA-FYYLOGMGSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782309 558649699 /nfs/dbraw/zinc/64/96/99/558649699.db2.gz RPHYZZHFKOFWGP-NZQKXSOJSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000025782311 558649931 /nfs/dbraw/zinc/64/99/31/558649931.db2.gz RPHYZZHFKOFWGP-NFBKMPQASA-N 0 0 408.860 5.730 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782322 558649943 /nfs/dbraw/zinc/64/99/43/558649943.db2.gz DXBMRRBTBWMDPJ-UGKGYDQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782324 558649912 /nfs/dbraw/zinc/64/99/12/558649912.db2.gz DXBMRRBTBWMDPJ-SIKLNZKXSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782326 558649957 /nfs/dbraw/zinc/64/99/57/558649957.db2.gz DXBMRRBTBWMDPJ-KNQAVFIVSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025782328 558649896 /nfs/dbraw/zinc/64/98/96/558649896.db2.gz DXBMRRBTBWMDPJ-DENIHFKCSA-N 0 0 413.279 6.375 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2c(F)cccc2Cl)c1 ZINC000025782352 558649904 /nfs/dbraw/zinc/64/99/04/558649904.db2.gz SRURWPSNHLRWPG-NZQKXSOJSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2c(F)cccc2Cl)c1 ZINC000025782354 558649959 /nfs/dbraw/zinc/64/99/59/558649959.db2.gz SRURWPSNHLRWPG-NFBKMPQASA-N 0 0 408.860 5.730 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 ZINC000025782379 569286426 /nfs/dbraw/zinc/28/64/26/569286426.db2.gz UIUHDAFCHYHAAU-PZJWPPBQSA-N 0 0 414.267 5.770 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 ZINC000025782381 569286492 /nfs/dbraw/zinc/28/64/92/569286492.db2.gz UIUHDAFCHYHAAU-TZIWHRDSSA-N 0 0 414.267 5.770 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025782387 558649880 /nfs/dbraw/zinc/64/98/80/558649880.db2.gz MBCIPQWDDXAQTN-UGKGYDQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025782389 558649963 /nfs/dbraw/zinc/64/99/63/558649963.db2.gz MBCIPQWDDXAQTN-SIKLNZKXSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025782391 558649946 /nfs/dbraw/zinc/64/99/46/558649946.db2.gz MBCIPQWDDXAQTN-KNQAVFIVSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025782393 558649915 /nfs/dbraw/zinc/64/99/15/558649915.db2.gz MBCIPQWDDXAQTN-DENIHFKCSA-N 0 0 413.279 6.375 50 0 HKAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1OC ZINC000025782483 558649961 /nfs/dbraw/zinc/64/99/61/558649961.db2.gz SSMWYTFDDFMCPJ-RDPSFJRHSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1OC ZINC000025782485 558649934 /nfs/dbraw/zinc/64/99/34/558649934.db2.gz SSMWYTFDDFMCPJ-GBXCKJPGSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1OC ZINC000025782487 558649923 /nfs/dbraw/zinc/64/99/23/558649923.db2.gz SSMWYTFDDFMCPJ-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1OC ZINC000025782489 558649953 /nfs/dbraw/zinc/64/99/53/558649953.db2.gz SSMWYTFDDFMCPJ-HYBUGGRVSA-N 0 0 420.896 5.600 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccs2)cc1 ZINC000025782625 569288946 /nfs/dbraw/zinc/28/89/46/569288946.db2.gz IUMXMODYAXVCHJ-FXAWDEMLSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccs2)cc1 ZINC000025782627 569288904 /nfs/dbraw/zinc/28/89/04/569288904.db2.gz IUMXMODYAXVCHJ-YLJYHZDGSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025782682 558649901 /nfs/dbraw/zinc/64/99/01/558649901.db2.gz RVCJUPSBJKYDQG-JXFKEZNVSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025782684 558649955 /nfs/dbraw/zinc/64/99/55/558649955.db2.gz RVCJUPSBJKYDQG-OXJNMPFZSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025782686 558649883 /nfs/dbraw/zinc/64/98/83/558649883.db2.gz RVCJUPSBJKYDQG-UZLBHIALSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025782688 558649897 /nfs/dbraw/zinc/64/98/97/558649897.db2.gz RVCJUPSBJKYDQG-OXQOHEQNSA-N 0 0 419.308 6.436 50 0 HKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2C)cc1 ZINC000025783560 558650208 /nfs/dbraw/zinc/65/02/08/558650208.db2.gz ZRFPJWMWNHCZAD-LOSJGSFVSA-N 0 0 406.489 5.108 50 0 HKAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2C)cc1 ZINC000025783562 558650047 /nfs/dbraw/zinc/65/00/47/558650047.db2.gz ZRFPJWMWNHCZAD-RPBOFIJWSA-N 0 0 406.489 5.108 50 0 HKAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2C)cc1 ZINC000025783563 558650203 /nfs/dbraw/zinc/65/02/03/558650203.db2.gz ZRFPJWMWNHCZAD-DQEYMECFSA-N 0 0 406.489 5.108 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000025783640 558650195 /nfs/dbraw/zinc/65/01/95/558650195.db2.gz WHHGDRWNLWDZGL-FTJBHMTQSA-N 0 0 420.516 5.362 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000025783642 558650228 /nfs/dbraw/zinc/65/02/28/558650228.db2.gz WHHGDRWNLWDZGL-UIOOFZCWSA-N 0 0 420.516 5.362 50 0 HKAARN CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000025783644 558650136 /nfs/dbraw/zinc/65/01/36/558650136.db2.gz WHHGDRWNLWDZGL-IZZNHLLZSA-N 0 0 420.516 5.362 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000025783688 558650225 /nfs/dbraw/zinc/65/02/25/558650225.db2.gz BLSZAHCACSVSKA-RPBOFIJWSA-N 0 0 424.479 5.192 50 0 HKAARN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000025783690 558650213 /nfs/dbraw/zinc/65/02/13/558650213.db2.gz BLSZAHCACSVSKA-DQEYMECFSA-N 0 0 424.479 5.192 50 0 HKAARN CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000025783692 558650089 /nfs/dbraw/zinc/65/00/89/558650089.db2.gz BLSZAHCACSVSKA-LOSJGSFVSA-N 0 0 424.479 5.192 50 0 HKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(-c3ccncc3)cc12 ZINC000025783848 558650222 /nfs/dbraw/zinc/65/02/22/558650222.db2.gz GUTZBKFLFHZLTC-UHFFFAOYSA-N 0 0 420.468 5.562 50 0 HKAARN COc1ccc(OC)c(CN(C(=O)c2ccc(SC(F)(F)F)cc2)C2CC2)c1 ZINC000025807699 568916876 /nfs/dbraw/zinc/91/68/76/568916876.db2.gz ISSSYJKAFKZQSC-UHFFFAOYSA-N 0 0 411.445 5.121 50 0 HKAARN COc1ccc(OC)c(CN(C(=O)c2sc(-c3cccs3)nc2C)C2CC2)c1 ZINC000025808131 558650552 /nfs/dbraw/zinc/65/05/52/558650552.db2.gz GTIHYMJEJZUWHL-UHFFFAOYSA-N 0 0 414.552 5.002 50 0 HKAARN COc1ccc(OC)c(CN(C(=O)c2cc3cc(Cl)ccc3nc2C)C2CC2)c1 ZINC000025808674 558650576 /nfs/dbraw/zinc/65/05/76/558650576.db2.gz MUVUMZRGGIBIHI-UHFFFAOYSA-N 0 0 410.901 5.019 50 0 HKAARN COc1ccc(OC)c(CN(C(=O)c2sc3nc(C)cc(C)c3c2C)C2CC2)c1 ZINC000025808702 558650522 /nfs/dbraw/zinc/65/05/22/558650522.db2.gz FPGXOVOWGRPHHR-UHFFFAOYSA-N 0 0 410.539 5.044 50 0 HKAARN Cc1noc(-c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)cc2)n1 ZINC000025848079 558651142 /nfs/dbraw/zinc/65/11/42/558651142.db2.gz ZJUCEAZKEMGXDR-UHFFFAOYSA-N 0 0 409.536 5.053 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2SC(F)F)cc1OCc1ccncc1 ZINC000025852205 558651137 /nfs/dbraw/zinc/65/11/37/558651137.db2.gz ZYFPQYGLZGNDEW-UHFFFAOYSA-N 0 0 416.449 5.236 50 0 HKAARN COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1OC ZINC000025862743 558651446 /nfs/dbraw/zinc/65/14/46/558651446.db2.gz ARHUNKZXPVNXSW-UHFFFAOYSA-N 0 0 416.502 5.747 50 0 HKAARN COc1ccc2nc(C)c(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2c1 ZINC000025876818 558651440 /nfs/dbraw/zinc/65/14/40/558651440.db2.gz BLUYBBNYAQRORA-JOCHJYFZSA-N 0 0 420.559 5.463 50 0 HKAARN COc1ccc2nc(C)c(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2c1 ZINC000025876822 558651367 /nfs/dbraw/zinc/65/13/67/558651367.db2.gz BLUYBBNYAQRORA-QFIPXVFZSA-N 0 0 420.559 5.463 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC ZINC000025878354 558651407 /nfs/dbraw/zinc/65/14/07/558651407.db2.gz VEMUMDAIHHYRNL-QFIPXVFZSA-N 0 0 404.510 5.041 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC ZINC000025878358 558651452 /nfs/dbraw/zinc/65/14/52/558651452.db2.gz VEMUMDAIHHYRNL-JOCHJYFZSA-N 0 0 404.510 5.041 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025897476 568929820 /nfs/dbraw/zinc/92/98/20/568929820.db2.gz UXVRTDBARVRNCO-NRFANRHFSA-N 0 0 422.600 5.624 50 0 HKAARN O=C(CSc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025897481 568930051 /nfs/dbraw/zinc/93/00/51/568930051.db2.gz UXVRTDBARVRNCO-OAQYLSRUSA-N 0 0 422.600 5.624 50 0 HKAARN O=C(c1csc(-c2ccsc2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900012 568934335 /nfs/dbraw/zinc/93/43/35/568934335.db2.gz SEAUXJFAAVEDEZ-IBGZPJMESA-N 0 0 408.573 5.721 50 0 HKAARN O=C(c1csc(-c2ccsc2)n1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900018 568934228 /nfs/dbraw/zinc/93/42/28/568934228.db2.gz SEAUXJFAAVEDEZ-LJQANCHMSA-N 0 0 408.573 5.721 50 0 HKAARN O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025900786 558651922 /nfs/dbraw/zinc/65/19/22/558651922.db2.gz WWFSKROYTLVCTN-IBGZPJMESA-N 0 0 408.573 5.721 50 0 HKAARN O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900791 558651893 /nfs/dbraw/zinc/65/18/93/558651893.db2.gz WWFSKROYTLVCTN-LJQANCHMSA-N 0 0 408.573 5.721 50 0 HKAARN CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc21 ZINC000025902829 558651914 /nfs/dbraw/zinc/65/19/14/558651914.db2.gz ITTTZRNFVMMOEG-NRFANRHFSA-N 0 0 403.507 5.196 50 0 HKAARN CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cc21 ZINC000025902835 558651891 /nfs/dbraw/zinc/65/18/91/558651891.db2.gz ITTTZRNFVMMOEG-OAQYLSRUSA-N 0 0 403.507 5.196 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(F)cc2cccnc21 ZINC000025931892 558652354 /nfs/dbraw/zinc/65/23/54/558652354.db2.gz DJZJRRKRZXITCX-UHFFFAOYSA-N 0 0 406.288 5.141 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025933125 558652277 /nfs/dbraw/zinc/65/22/77/558652277.db2.gz FSEDLILEFMFXMY-QFIPXVFZSA-N 0 0 413.477 5.122 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025933128 558652387 /nfs/dbraw/zinc/65/23/87/558652387.db2.gz FSEDLILEFMFXMY-JOCHJYFZSA-N 0 0 413.477 5.122 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000025950320 568952408 /nfs/dbraw/zinc/95/24/08/568952408.db2.gz RQQMGRRYLVNEEW-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc(-c2ccco2)on1 ZINC000025956459 558652759 /nfs/dbraw/zinc/65/27/59/558652759.db2.gz KCRZTQOMDDQYER-UHFFFAOYSA-N 0 0 424.460 5.060 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1C(F)F)[C@@H]1CCCc2ccccc21 ZINC000025981845 558652984 /nfs/dbraw/zinc/65/29/84/558652984.db2.gz LQTGFYCLDHLENW-QGZVFWFLSA-N 0 0 401.482 5.060 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1C(F)F)[C@H]1CCCc2ccccc21 ZINC000025981853 558652967 /nfs/dbraw/zinc/65/29/67/558652967.db2.gz LQTGFYCLDHLENW-KRWDZBQOSA-N 0 0 401.482 5.060 50 0 HKAARN CCN(C(=O)CSc1nc2ccccc2n1C(F)F)c1nc2ccccc2s1 ZINC000025981965 558653038 /nfs/dbraw/zinc/65/30/38/558653038.db2.gz XNBQHWNMMLHSDK-UHFFFAOYSA-N 0 0 418.494 5.186 50 0 HKAARN Cc1ccc(-c2csc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)n2)cc1 ZINC000026014544 558653612 /nfs/dbraw/zinc/65/36/12/558653612.db2.gz FIZZGODUORJKKQ-INIZCTEOSA-N 0 0 423.592 5.211 50 0 HKAARN Cc1ccc(-c2csc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)n2)cc1 ZINC000026014550 558653589 /nfs/dbraw/zinc/65/35/89/558653589.db2.gz FIZZGODUORJKKQ-MRXNPFEDSA-N 0 0 423.592 5.211 50 0 HKAARN Cc1c(C(=O)N2CCCSc3ccccc32)sc2nc(-c3ccco3)nc(C)c12 ZINC000026026400 558653887 /nfs/dbraw/zinc/65/38/87/558653887.db2.gz MSEJGQQBRIDZNZ-UHFFFAOYSA-N 0 0 421.547 5.711 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)c3cc(=O)c4ccccc4o3)s2)c1Cl ZINC000026037303 569002614 /nfs/dbraw/zinc/00/26/14/569002614.db2.gz KRSFLOJJQRQBFK-UHFFFAOYSA-N 0 0 410.882 5.054 50 0 HKAARN CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000026042384 558654008 /nfs/dbraw/zinc/65/40/08/558654008.db2.gz IWBKDXCTKCPIIW-UHFFFAOYSA-N 0 0 415.603 5.704 50 0 HKAARN O=C(NCc1coc(-c2cccs2)n1)c1cc(-c2ccco2)nc2ccccc21 ZINC000026064700 558654737 /nfs/dbraw/zinc/65/47/37/558654737.db2.gz CTJVSSLZFNIVMF-UHFFFAOYSA-N 0 0 401.447 5.141 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000026068182 569006077 /nfs/dbraw/zinc/00/60/77/569006077.db2.gz QAVFGXCKSNNPER-UHFFFAOYSA-N 0 0 409.294 5.139 50 0 HKAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 ZINC000026107833 558655326 /nfs/dbraw/zinc/65/53/26/558655326.db2.gz OXIMZQLDBFJHDR-MRXNPFEDSA-N 0 0 413.587 5.177 50 0 HKAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 ZINC000026107841 558655287 /nfs/dbraw/zinc/65/52/87/558655287.db2.gz OXIMZQLDBFJHDR-INIZCTEOSA-N 0 0 413.587 5.177 50 0 HKAARN Cc1c(-c2ccccc2)sc2ncn(Cc3coc(-c4cccc(F)c4)n3)c(=O)c12 ZINC000026109115 569016540 /nfs/dbraw/zinc/01/65/40/569016540.db2.gz VAESXMSZOICQFU-UHFFFAOYSA-N 0 0 417.465 5.276 50 0 HKAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1 ZINC000026118193 558655688 /nfs/dbraw/zinc/65/56/88/558655688.db2.gz RSRSDFQMNNUEQR-SNVBAGLBSA-N 0 0 421.598 5.219 50 0 HKAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1 ZINC000026118201 558655707 /nfs/dbraw/zinc/65/57/07/558655707.db2.gz RSRSDFQMNNUEQR-JTQLQIEISA-N 0 0 421.598 5.219 50 0 HKAARN COc1ccc2c(c1)CCCN2C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000026121692 536969907 /nfs/dbraw/zinc/96/99/07/536969907.db2.gz WCEZVZQFJKNMBB-UHFFFAOYSA-N 0 0 419.506 5.170 50 0 HKAARN CN(C)C(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000026130918 569024586 /nfs/dbraw/zinc/02/45/86/569024586.db2.gz NJVJTDRDGFZLSG-UHFFFAOYSA-N 0 0 412.411 5.327 50 0 HKAARN O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131607 558656175 /nfs/dbraw/zinc/65/61/75/558656175.db2.gz GTXJOVBGBKBBDD-HNNXBMFYSA-N 0 0 422.428 5.248 50 0 HKAARN O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000026131613 558656140 /nfs/dbraw/zinc/65/61/40/558656140.db2.gz GTXJOVBGBKBBDD-OAHLLOKOSA-N 0 0 422.428 5.248 50 0 HKAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000026147124 569027153 /nfs/dbraw/zinc/02/71/53/569027153.db2.gz HMAMDKCNLNZKGY-UHFFFAOYSA-N 0 0 416.462 5.178 50 0 HKAARN Cc1nc(-c2ccc(Oc3ncnc4scc(-c5ccc(F)cc5)c43)cc2)no1 ZINC000026227219 558657536 /nfs/dbraw/zinc/65/75/36/558657536.db2.gz NKDYGEAADJKFDQ-UHFFFAOYSA-N 0 0 404.426 5.648 50 0 HKAARN COc1ccccc1-c1cc(CSc2nn(-c3ccccc3)c(=S)s2)on1 ZINC000026252117 558657915 /nfs/dbraw/zinc/65/79/15/558657915.db2.gz UZGWGAZLGVEQED-UHFFFAOYSA-N 0 0 413.549 5.619 50 0 HKAARN COc1ccccc1-c1cc(CSc2nnc(Nc3cccc(F)c3)s2)on1 ZINC000026270092 558658184 /nfs/dbraw/zinc/65/81/84/558658184.db2.gz MAXKRVIDHLPYHZ-UHFFFAOYSA-N 0 0 414.487 5.377 50 0 HKAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000026319688 558659265 /nfs/dbraw/zinc/65/92/65/558659265.db2.gz BMMTYGJAYGCTDD-UHFFFAOYSA-N 0 0 410.445 5.235 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000026367192 558659668 /nfs/dbraw/zinc/65/96/68/558659668.db2.gz GFJWMXMIZGFNBX-GFCCVEGCSA-N 0 0 422.337 5.468 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000026367195 558659626 /nfs/dbraw/zinc/65/96/26/558659626.db2.gz GFJWMXMIZGFNBX-LBPRGKRZSA-N 0 0 422.337 5.468 50 0 HKAARN CC(=O)N(c1nc(CSc2ncc3ccccn32)cs1)c1c(C)cc(C)cc1C ZINC000026371429 558659645 /nfs/dbraw/zinc/65/96/45/558659645.db2.gz PPDCAZBWCVYQQX-UHFFFAOYSA-N 0 0 422.579 5.693 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000026390643 558660088 /nfs/dbraw/zinc/66/00/88/558660088.db2.gz OWUIPBPAASTURH-QGZVFWFLSA-N 0 0 402.523 5.137 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000026390647 558660224 /nfs/dbraw/zinc/66/02/24/558660224.db2.gz OWUIPBPAASTURH-KRWDZBQOSA-N 0 0 402.523 5.137 50 0 HKAARN Cc1ccc(-c2nnc([C@@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 ZINC000026420484 558660543 /nfs/dbraw/zinc/66/05/43/558660543.db2.gz ZRWKKNAULONAGQ-CQSZACIVSA-N 0 0 400.862 5.160 50 0 HKAARN Cc1ccc(-c2nnc([C@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 ZINC000026420488 558660561 /nfs/dbraw/zinc/66/05/61/558660561.db2.gz ZRWKKNAULONAGQ-AWEZNQCLSA-N 0 0 400.862 5.160 50 0 HKAARN FC(F)(F)Oc1ccc(-n2c(=S)[nH]cc2-c2ccc(Br)cc2)cc1 ZINC000026423115 558660847 /nfs/dbraw/zinc/66/08/47/558660847.db2.gz HXBDCVQRERZWAX-UHFFFAOYSA-N 0 0 415.234 5.863 50 0 HKAARN FC(F)(F)Oc1ccc(-n2c(=S)[nH]cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000026424397 569031789 /nfs/dbraw/zinc/03/17/89/569031789.db2.gz GJZYKERTOQRETD-UHFFFAOYSA-N 0 0 405.228 6.407 50 0 HKAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 ZINC000026433296 558660751 /nfs/dbraw/zinc/66/07/51/558660751.db2.gz PHBXHVKXWPWDPH-SNVBAGLBSA-N 0 0 420.903 5.267 50 0 HKAARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 ZINC000026433299 558660856 /nfs/dbraw/zinc/66/08/56/558660856.db2.gz PHBXHVKXWPWDPH-JTQLQIEISA-N 0 0 420.903 5.267 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000026457569 569031902 /nfs/dbraw/zinc/03/19/02/569031902.db2.gz KBFGWSJILXNMLQ-SFHVURJKSA-N 0 0 416.308 5.252 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000026457572 569031913 /nfs/dbraw/zinc/03/19/13/569031913.db2.gz KBFGWSJILXNMLQ-GOSISDBHSA-N 0 0 416.308 5.252 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000026457923 569031861 /nfs/dbraw/zinc/03/18/61/569031861.db2.gz PDQBNWAYAUZJKJ-INIZCTEOSA-N 0 0 422.337 5.313 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000026457927 569031881 /nfs/dbraw/zinc/03/18/81/569031881.db2.gz PDQBNWAYAUZJKJ-MRXNPFEDSA-N 0 0 422.337 5.313 50 0 HKAARN CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026486337 558661867 /nfs/dbraw/zinc/66/18/67/558661867.db2.gz GGVPFHHXYFPILY-CQSZACIVSA-N 0 0 422.356 5.014 50 0 HKAARN CC(C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026486342 558661919 /nfs/dbraw/zinc/66/19/19/558661919.db2.gz GGVPFHHXYFPILY-AWEZNQCLSA-N 0 0 422.356 5.014 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000026548302 558662883 /nfs/dbraw/zinc/66/28/83/558662883.db2.gz DRYMHJWZLFJMCU-UHFFFAOYSA-N 0 0 409.294 5.327 50 0 HKAARN FC(F)(F)c1ccc(CN(Cn2nc(C3CC3)n(C3CC3)c2=S)C2CC2)cc1 ZINC000026618656 558663809 /nfs/dbraw/zinc/66/38/09/558663809.db2.gz RVXZXVFAKNSEAT-UHFFFAOYSA-N 0 0 408.493 5.267 50 0 HKAARN CC(C)c1nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)n1C1CC1 ZINC000026618814 558663775 /nfs/dbraw/zinc/66/37/75/558663775.db2.gz DFADBFJDZADFKN-UHFFFAOYSA-N 0 0 410.509 5.513 50 0 HKAARN S=c1[nH]c(-c2ccc(Br)cc2)nn1CN(Cc1cccs1)C1CC1 ZINC000026637315 558663828 /nfs/dbraw/zinc/66/38/28/558663828.db2.gz DMSSJKYHXCYCNH-UHFFFAOYSA-N 0 0 421.389 5.054 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000026638730 569052081 /nfs/dbraw/zinc/05/20/81/569052081.db2.gz XHKXWCRMYHNTDD-GFCCVEGCSA-N 0 0 407.272 5.598 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000026638736 569052099 /nfs/dbraw/zinc/05/20/99/569052099.db2.gz XHKXWCRMYHNTDD-LBPRGKRZSA-N 0 0 407.272 5.598 50 0 HKAARN CCOc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)o1 ZINC000026682085 558664208 /nfs/dbraw/zinc/66/42/08/558664208.db2.gz NGVZMWGFXGAPEH-AWEZNQCLSA-N 0 0 408.483 5.347 50 0 HKAARN CCOc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)o1 ZINC000026682086 558664150 /nfs/dbraw/zinc/66/41/50/558664150.db2.gz NGVZMWGFXGAPEH-CQSZACIVSA-N 0 0 408.483 5.347 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000026684992 558664087 /nfs/dbraw/zinc/66/40/87/558664087.db2.gz PHRQHDLPYIXKEX-CYBMUJFWSA-N 0 0 422.834 5.824 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000026684993 558664147 /nfs/dbraw/zinc/66/41/47/558664147.db2.gz PHRQHDLPYIXKEX-ZDUSSCGKSA-N 0 0 422.834 5.824 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)c1 ZINC000026688029 558664350 /nfs/dbraw/zinc/66/43/50/558664350.db2.gz KOGWMULGSJZUIX-UHFFFAOYSA-N 0 0 403.931 6.122 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1 ZINC000026688055 558664370 /nfs/dbraw/zinc/66/43/70/558664370.db2.gz LLDNWKIXEIDIHL-UHFFFAOYSA-N 0 0 400.931 6.063 50 0 HKAARN CCC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccc(C)cc1 ZINC000026688361 558664269 /nfs/dbraw/zinc/66/42/69/558664269.db2.gz QEXCRPNPEWLNKW-NJGFXUCASA-N 0 0 421.566 5.285 50 0 HKAARN CCC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccc(C)cc1 ZINC000026688365 558664265 /nfs/dbraw/zinc/66/42/65/558664265.db2.gz QEXCRPNPEWLNKW-CPSPCKPPSA-N 0 0 421.566 5.285 50 0 HKAARN CCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 ZINC000026688680 558664368 /nfs/dbraw/zinc/66/43/68/558664368.db2.gz ZVJWDPHUNKFZJS-IZHYLOQSSA-N 0 0 417.534 6.094 50 0 HKAARN CSCC[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000026756549 569056445 /nfs/dbraw/zinc/05/64/45/569056445.db2.gz HCJILUZBGHKPKB-MRXNPFEDSA-N 0 0 407.511 5.102 50 0 HKAARN O=c1cc(C(F)(F)F)c2ccc(OCc3coc(-c4cccc(F)c4)n3)cc2o1 ZINC000026777194 558665012 /nfs/dbraw/zinc/66/50/12/558665012.db2.gz CSGIZQSDXAFKNR-UHFFFAOYSA-N 0 0 405.303 5.185 50 0 HKAARN Cc1cc2oc(=O)cc(CNc3ccc(C(=O)N4CCCC4)cc3)c2cc1C(C)C ZINC000026782053 558665237 /nfs/dbraw/zinc/66/52/37/558665237.db2.gz KMHFISKPZCCDLZ-UHFFFAOYSA-N 0 0 404.510 5.073 50 0 HKAARN Cc1nc(Nc2ccc3c(c2)OCCO3)sc1Cc1cc(Cl)ccc1Cl ZINC000026786607 558665182 /nfs/dbraw/zinc/66/51/82/558665182.db2.gz CXOWPLZKDHLURB-UHFFFAOYSA-N 0 0 407.322 5.864 50 0 HKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3cccs3)n2)cc1 ZINC000026791709 569056690 /nfs/dbraw/zinc/05/66/90/569056690.db2.gz KEPKMJFDASBQGP-UHFFFAOYSA-N 0 0 419.575 5.672 50 0 HKAARN CCC1=N[C@H](SCC(=O)c2ccccc2)c2c3c(sc2N1)COC(C)(C)C3 ZINC000026802832 569056795 /nfs/dbraw/zinc/05/67/95/569056795.db2.gz AEIFTZWDNNSWBW-LJQANCHMSA-N 0 0 400.569 5.257 50 0 HKAARN CCC1=N[C@@H](SCC(=O)c2ccccc2)c2c3c(sc2N1)COC(C)(C)C3 ZINC000026802839 569056814 /nfs/dbraw/zinc/05/68/14/569056814.db2.gz AEIFTZWDNNSWBW-IBGZPJMESA-N 0 0 400.569 5.257 50 0 HKAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)sc(C)c3-c2ccc(Cl)cc2)cc1 ZINC000026840999 558665733 /nfs/dbraw/zinc/66/57/33/558665733.db2.gz GIQJKDLTEIQYEB-UHFFFAOYSA-N 0 0 414.939 5.747 50 0 HKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2ccc(C)cc2)cc1 ZINC000026841224 569057162 /nfs/dbraw/zinc/05/71/62/569057162.db2.gz AUJISDLSIXEDIQ-UHFFFAOYSA-N 0 0 402.519 5.665 50 0 HKAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000026861320 558665992 /nfs/dbraw/zinc/66/59/92/558665992.db2.gz LGIWSZVHODMRRY-GOSISDBHSA-N 0 0 414.383 5.146 50 0 HKAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000026861326 558665990 /nfs/dbraw/zinc/66/59/90/558665990.db2.gz LGIWSZVHODMRRY-SFHVURJKSA-N 0 0 414.383 5.146 50 0 HKAARN O=C(Cc1csc(-c2ccccn2)n1)OCc1sc2ccccc2c1Cl ZINC000026887639 558666278 /nfs/dbraw/zinc/66/62/78/558666278.db2.gz XTDCMROWCSTURU-UHFFFAOYSA-N 0 0 400.912 5.359 50 0 HKAARN O=C(OCc1sc2ccccc2c1Cl)C1CCN(C(=O)c2cccs2)CC1 ZINC000026887669 569059744 /nfs/dbraw/zinc/05/97/44/569059744.db2.gz RZRMKJMUKXSTIL-UHFFFAOYSA-N 0 0 419.955 5.212 50 0 HKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1 ZINC000026893465 569059925 /nfs/dbraw/zinc/05/99/25/569059925.db2.gz WCCLESANOMRKAG-UHFFFAOYSA-N 0 0 414.686 5.586 50 0 HKAARN CCN(CC)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000026921180 558667308 /nfs/dbraw/zinc/66/73/08/558667308.db2.gz CHZBDTQPHUMTPU-HYARGMPZSA-N 0 0 419.550 5.025 50 0 HKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc(F)cc2Cl)cc1 ZINC000026926614 558667157 /nfs/dbraw/zinc/66/71/57/558667157.db2.gz VAXCGBOBFJPNTO-UHFFFAOYSA-N 0 0 412.892 5.167 50 0 HKAARN Clc1ccc(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)cc1Cl ZINC000026947116 558667551 /nfs/dbraw/zinc/66/75/51/558667551.db2.gz BLYLMYMVUIFXTG-UHFFFAOYSA-N 0 0 403.250 5.680 50 0 HKAARN O=C(CSc1ncnc2ccsc21)Nc1c(Cl)cccc1C(F)(F)F ZINC000026953475 558667478 /nfs/dbraw/zinc/66/74/78/558667478.db2.gz WBBJMETWIIHLET-UHFFFAOYSA-N 0 0 403.838 5.094 50 0 HKAARN CSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000026961992 558667663 /nfs/dbraw/zinc/66/76/63/558667663.db2.gz VXPWQNBKEIVYIS-OAHLLOKOSA-N 0 0 404.514 6.173 50 0 in-vivo HKAARN Cc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 ZINC000026964438 558667675 /nfs/dbraw/zinc/66/76/75/558667675.db2.gz DAZBKJQQZWPORB-UHFFFAOYSA-N 0 0 409.492 5.278 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl ZINC000026965867 558667948 /nfs/dbraw/zinc/66/79/48/558667948.db2.gz GRYHKULMDRKZKD-UHFFFAOYSA-N 0 0 401.915 5.891 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(=O)c2cccs2)cc1 ZINC000026966993 558667880 /nfs/dbraw/zinc/66/78/80/558667880.db2.gz LDQVGOBIPNDECH-FQEVSTJZSA-N 0 0 401.940 5.441 50 0 HKAARN Cc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(=O)c2cccs2)cc1 ZINC000026966998 558667909 /nfs/dbraw/zinc/66/79/09/558667909.db2.gz LDQVGOBIPNDECH-HXUWFJFHSA-N 0 0 401.940 5.441 50 0 HKAARN COC(=O)c1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000026967036 558667875 /nfs/dbraw/zinc/66/78/75/558667875.db2.gz HTUJKUZFZGHBGV-UHFFFAOYSA-N 0 0 414.697 5.900 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(C)c3nc4ccccc4s3)c3c(C)noc3n2)s1 ZINC000026967892 558667933 /nfs/dbraw/zinc/66/79/33/558667933.db2.gz BOASXFUVPNHYGA-UHFFFAOYSA-N 0 0 420.519 5.454 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3ccc(C(C)=O)s3)ccc2OC(F)F)cc1 ZINC000027012589 569070358 /nfs/dbraw/zinc/07/03/58/569070358.db2.gz GUDBPETXWPMHOZ-UHFFFAOYSA-N 0 0 417.433 5.480 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn32)cc1 ZINC000027015377 558668109 /nfs/dbraw/zinc/66/81/09/558668109.db2.gz TWORLQGOQMASHD-UHFFFAOYSA-N 0 0 403.913 6.205 50 0 HKAARN CCOC(=O)Nc1sc(=Nc2ccccc2)n(CCCOC)c1-c1ccccc1 ZINC000027015712 558668351 /nfs/dbraw/zinc/66/83/51/558668351.db2.gz PAKVUARBLZFXCN-LNVKXUELSA-N 0 0 411.527 5.054 50 0 HKAARN COc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 ZINC000027016119 558668252 /nfs/dbraw/zinc/66/82/52/558668252.db2.gz UDQHAQSIMYVBKU-QFIPXVFZSA-N 0 0 411.910 5.080 50 0 HKAARN COc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 ZINC000027016126 558668257 /nfs/dbraw/zinc/66/82/57/558668257.db2.gz UDQHAQSIMYVBKU-JOCHJYFZSA-N 0 0 411.910 5.080 50 0 HKAARN Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2ccc(F)cc2)cc1 ZINC000027018316 558668286 /nfs/dbraw/zinc/66/82/86/558668286.db2.gz PNEYDTDFASIRBZ-UHFFFAOYSA-N 0 0 406.482 5.495 50 0 HKAARN Cc1cc(C)c(OCC(=O)n2c3ccccc3nc2SCc2ccccc2)c(C)c1 ZINC000027018349 558668293 /nfs/dbraw/zinc/66/82/93/558668293.db2.gz DMFUYNWAJYIYEL-UHFFFAOYSA-N 0 0 416.546 5.973 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)cc(C)cc4C)cc3)sc2c1 ZINC000027018634 558668306 /nfs/dbraw/zinc/66/83/06/558668306.db2.gz OQSCFKZHKBRYCA-UHFFFAOYSA-N 0 0 416.546 6.214 50 0 HKAARN Cc1ccc(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027018929 558668329 /nfs/dbraw/zinc/66/83/29/558668329.db2.gz MYZCTAIJHNCLFW-UHFFFAOYSA-N 0 0 420.317 5.338 50 0 HKAARN O=C(COc1ccc(F)cc1)n1c2ccccc2nc1SCc1ccccc1F ZINC000027019134 558668339 /nfs/dbraw/zinc/66/83/39/558668339.db2.gz FCUJTIUMKQSUDW-UHFFFAOYSA-N 0 0 410.445 5.326 50 0 HKAARN CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 ZINC000027023985 569070987 /nfs/dbraw/zinc/07/09/87/569070987.db2.gz PISHXBQFVTURKX-UHFFFAOYSA-N 0 0 401.747 5.381 50 0 HKAARN COc1ccc2c(Cl)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)sc2c1 ZINC000027024563 569070997 /nfs/dbraw/zinc/07/09/97/569070997.db2.gz WWQSDLSMINUZHL-UHFFFAOYSA-N 0 0 420.239 6.488 50 0 HKAARN Cc1ccc(OCC(=O)n2c3ccccc3nc2SCc2ccccc2F)cc1 ZINC000027026493 569071048 /nfs/dbraw/zinc/07/10/48/569071048.db2.gz NZUIXIJLKCGPIS-UHFFFAOYSA-N 0 0 406.482 5.495 50 0 HKAARN Cc1cc(-c2ccccc2)nc(S[C@H](C)C(=O)Nc2cccc3ncccc32)n1 ZINC000027028321 558669013 /nfs/dbraw/zinc/66/90/13/558669013.db2.gz XGWCSCLFDFMHPX-MRXNPFEDSA-N 0 0 400.507 5.120 50 0 HKAARN Cc1cc(-c2ccccc2)nc(S[C@@H](C)C(=O)Nc2cccc3ncccc32)n1 ZINC000027028328 558669046 /nfs/dbraw/zinc/66/90/46/558669046.db2.gz XGWCSCLFDFMHPX-INIZCTEOSA-N 0 0 400.507 5.120 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)c2)cs1 ZINC000027042013 558669007 /nfs/dbraw/zinc/66/90/07/558669007.db2.gz VEEBXJTXEJKWMQ-SFHVURJKSA-N 0 0 410.564 5.642 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)c2)cs1 ZINC000027042020 558669093 /nfs/dbraw/zinc/66/90/93/558669093.db2.gz VEEBXJTXEJKWMQ-GOSISDBHSA-N 0 0 410.564 5.642 50 0 HKAARN Cc1nc(C)c(-c2nnc(SCC(=O)c3ccc(C(C)C)cc3C(C)C)o2)s1 ZINC000027059663 569072153 /nfs/dbraw/zinc/07/21/53/569072153.db2.gz FOGZERPNOMKWLF-UHFFFAOYSA-N 0 0 415.584 6.032 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000027106257 569278432 /nfs/dbraw/zinc/27/84/32/569278432.db2.gz ZRTVRHZCXMIQRH-UHFFFAOYSA-N 0 0 401.510 5.053 50 0 HKAARN Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Br)cc3)nc12 ZINC000027117633 558669706 /nfs/dbraw/zinc/66/97/06/558669706.db2.gz BUBKONKQLOTJAF-UHFFFAOYSA-N 0 0 421.125 6.076 50 0 HKAARN Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000027117650 558669674 /nfs/dbraw/zinc/66/96/74/558669674.db2.gz UOMUYLWAPGMAIU-UHFFFAOYSA-N 0 0 421.125 6.076 50 0 HKAARN O=C(Nc1cccc(C2SCCS2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000027133406 558669813 /nfs/dbraw/zinc/66/98/13/558669813.db2.gz AISRCOOCPNLHDT-UHFFFAOYSA-N 0 0 415.971 5.316 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000027136781 558670107 /nfs/dbraw/zinc/67/01/07/558670107.db2.gz NUBVOKRPWMQPKS-UHFFFAOYSA-N 0 0 422.937 6.656 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCSCCC(=O)Nc1ccccc1Cl ZINC000027186039 569286196 /nfs/dbraw/zinc/28/61/96/569286196.db2.gz FPOHSBSYQLIICO-UHFFFAOYSA-N 0 0 404.963 5.438 50 0 HKAARN O=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000027198068 558670952 /nfs/dbraw/zinc/67/09/52/558670952.db2.gz FUIPYXJSDPOEKI-UHFFFAOYSA-N 0 0 404.267 5.312 50 0 HKAARN CC(C)C(=O)Nc1cccc(CNCc2cc(Cl)ccc2OCc2cccnc2)c1 ZINC000027217558 558671129 /nfs/dbraw/zinc/67/11/29/558671129.db2.gz UJXNYRMZZJXTSF-UHFFFAOYSA-N 0 0 423.944 5.198 50 0 HKAARN Clc1ccc(-c2noc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000027236048 558671258 /nfs/dbraw/zinc/67/12/58/558671258.db2.gz YREXRLJXQIOKHR-UHFFFAOYSA-N 0 0 411.889 5.064 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2ccccc2c1 ZINC000027320517 558671776 /nfs/dbraw/zinc/67/17/76/558671776.db2.gz VSEJYLNXVUIBHE-OAHLLOKOSA-N 0 0 406.432 5.583 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2ccccc2c1 ZINC000027320522 558671723 /nfs/dbraw/zinc/67/17/23/558671723.db2.gz VSEJYLNXVUIBHE-HNNXBMFYSA-N 0 0 406.432 5.583 50 0 HKAARN COc1cccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCC2)c1 ZINC000027341027 558672096 /nfs/dbraw/zinc/67/20/96/558672096.db2.gz QTOSHJUJXHLNQI-GOSISDBHSA-N 0 0 414.958 5.130 50 0 HKAARN COc1cccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCC2)c1 ZINC000027341029 558672131 /nfs/dbraw/zinc/67/21/31/558672131.db2.gz QTOSHJUJXHLNQI-SFHVURJKSA-N 0 0 414.958 5.130 50 0 HKAARN O=C(/C=C/c1ccccc1Br)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027375840 558672743 /nfs/dbraw/zinc/67/27/43/558672743.db2.gz TUSXBVGPCSWNBQ-LPQFERQCSA-N 0 0 411.299 5.010 50 0 HKAARN O=C(/C=C/c1ccccc1Br)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027375843 558672769 /nfs/dbraw/zinc/67/27/69/558672769.db2.gz TUSXBVGPCSWNBQ-PCUGXKRQSA-N 0 0 411.299 5.010 50 0 HKAARN COC(=O)CC[C@]1(C)C(=C(C)C)CC[C@H](C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000027439427 569323728 /nfs/dbraw/zinc/32/37/28/569323728.db2.gz LYSHMNVQUVJTGP-SBJAYZTMSA-N 0 0 412.526 5.514 50 0 biogenic HKAARN Cc1nc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)no1 ZINC000027444617 558673099 /nfs/dbraw/zinc/67/30/99/558673099.db2.gz XNFSAPHFDYKTKO-UHFFFAOYSA-N 0 0 419.554 5.275 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1 ZINC000027447963 558673253 /nfs/dbraw/zinc/67/32/53/558673253.db2.gz QVSUOSHJBOVPHQ-UHFFFAOYSA-N 0 0 404.495 5.130 50 0 HKAARN Cc1ccc2c(C)c(CCC(=O)Oc3ccc(Cl)c4cccnc34)c(=O)oc2c1 ZINC000027450764 558673268 /nfs/dbraw/zinc/67/32/68/558673268.db2.gz BDJFSRDASOOOPS-UHFFFAOYSA-N 0 0 407.853 5.150 50 0 HKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000027460265 558673244 /nfs/dbraw/zinc/67/32/44/558673244.db2.gz MIHPZRFHIJWLLW-QHCPKHFHSA-N 0 0 415.880 5.181 50 0 HKAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000027460271 558673300 /nfs/dbraw/zinc/67/33/00/558673300.db2.gz MIHPZRFHIJWLLW-HSZRJFAPSA-N 0 0 415.880 5.181 50 0 HKAARN O=C(Oc1ccc2ccccc2c1)c1cccc(C(=O)Oc2ccc3ccccc3c2)n1 ZINC000027469231 569324895 /nfs/dbraw/zinc/32/48/95/569324895.db2.gz WIHXPXRSMKDVCV-UHFFFAOYSA-N 0 0 419.436 5.826 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000027470291 569323980 /nfs/dbraw/zinc/32/39/80/569323980.db2.gz BFHJGYVTDPISJV-UHFFFAOYSA-N 0 0 420.295 6.630 50 0 HKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000027489147 569325091 /nfs/dbraw/zinc/32/50/91/569325091.db2.gz PEKQVRCHYRHVOW-DEOSSOPVSA-N 0 0 400.909 5.918 50 0 HKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000027489150 569325077 /nfs/dbraw/zinc/32/50/77/569325077.db2.gz PEKQVRCHYRHVOW-XMMPIXPASA-N 0 0 400.909 5.918 50 0 HKAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000027496433 569325264 /nfs/dbraw/zinc/32/52/64/569325264.db2.gz FSYDRNFIXIJVMU-RQZCQDPDSA-N 0 0 423.321 5.498 50 0 HKAARN Brc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000027497533 569325310 /nfs/dbraw/zinc/32/53/10/569325310.db2.gz LWXKCMVWSZLHBI-GYHWCHFESA-N 0 0 416.278 5.971 50 0 HKAARN CCCCOC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000027499759 558673645 /nfs/dbraw/zinc/67/36/45/558673645.db2.gz XOOXDZSVHTXSME-YBEGLDIGSA-N 0 0 421.927 5.886 50 0 HKAARN CCOc1ccc2nc(NC(=O)c3ccc(OCC)c(Br)c3)sc2c1 ZINC000027499903 569325964 /nfs/dbraw/zinc/32/59/64/569325964.db2.gz MULJBDNMJBYYJW-UHFFFAOYSA-N 0 0 421.316 5.109 50 0 HKAARN COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O ZINC000027499947 569325996 /nfs/dbraw/zinc/32/59/96/569325996.db2.gz NGHUERILXPKHAX-RQZCQDPDSA-N 0 0 420.943 5.176 50 0 HKAARN CCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000027500721 569325960 /nfs/dbraw/zinc/32/59/60/569325960.db2.gz WGFRBHOZYNWESG-UHFFFAOYSA-N 0 0 424.500 6.133 50 0 HKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)cc1Cl ZINC000027501059 569325948 /nfs/dbraw/zinc/32/59/48/569325948.db2.gz TVMCFBVQAGEDOM-UHFFFAOYSA-N 0 0 417.683 5.633 50 0 HKAARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000027501064 569325953 /nfs/dbraw/zinc/32/59/53/569325953.db2.gz RNKKCZRBHFAZBW-UHFFFAOYSA-N 0 0 417.683 5.633 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1)c1cccc(Cl)c1 ZINC000027519539 569328111 /nfs/dbraw/zinc/32/81/11/569328111.db2.gz FSLBULIGIABUQR-UHFFFAOYSA-N 0 0 419.695 6.151 50 0 HKAARN Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000027519845 569328060 /nfs/dbraw/zinc/32/80/60/569328060.db2.gz XTLDMSLBNGODJL-FAJYDZGRSA-N 0 0 422.406 6.245 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1 ZINC000027520509 569327999 /nfs/dbraw/zinc/32/79/99/569327999.db2.gz WFHUGNOAIODWCT-LVWGJNHUSA-N 0 0 419.278 5.680 50 0 HKAARN Cc1cc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2Cl)ccc1Br ZINC000027521093 569328103 /nfs/dbraw/zinc/32/81/03/569328103.db2.gz OHDDDZAEWCWJDH-MRXNPFEDSA-N 0 0 417.155 5.843 50 0 HKAARN Cc1cc(N2C(=O)CS[C@H]2c2cccc(Cl)c2Cl)ccc1Br ZINC000027521095 569328090 /nfs/dbraw/zinc/32/80/90/569328090.db2.gz OHDDDZAEWCWJDH-INIZCTEOSA-N 0 0 417.155 5.843 50 0 HKAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000027521121 569328145 /nfs/dbraw/zinc/32/81/45/569328145.db2.gz RUMJDBQLRZOGTC-OAQYLSRUSA-N 0 0 416.329 6.564 50 0 HKAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000027521123 569328137 /nfs/dbraw/zinc/32/81/37/569328137.db2.gz RUMJDBQLRZOGTC-NRFANRHFSA-N 0 0 416.329 6.564 50 0 HKAARN CCCCc1ccc(C(=O)N/C(=C\c2ccc(C)cc2)C(=O)Nc2ccccc2)cc1 ZINC000027521196 569328087 /nfs/dbraw/zinc/32/80/87/569328087.db2.gz SOHVLSCJROGBLL-PLRJNAJWSA-N 0 0 412.533 5.747 50 0 HKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000027521213 569328081 /nfs/dbraw/zinc/32/80/81/569328081.db2.gz JRTDKAXPLZFREL-UHFFFAOYSA-N 0 0 422.267 7.405 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1 ZINC000027521259 569328139 /nfs/dbraw/zinc/32/81/39/569328139.db2.gz QPDLQFCPSHBYJM-UHFFFAOYSA-N 0 0 424.447 6.748 50 0 HKAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)C1CCCCC1 ZINC000027521271 569328046 /nfs/dbraw/zinc/32/80/46/569328046.db2.gz DXKVZMLDIAEINQ-UHFFFAOYSA-N 0 0 420.734 5.852 50 0 HKAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1cccs1)O2 ZINC000027521382 558673918 /nfs/dbraw/zinc/67/39/18/558673918.db2.gz YQWFXWDKBISWTO-QPPBQGQZSA-N 0 0 416.933 6.797 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(-c2ccccc2)cc1 ZINC000027521712 569328062 /nfs/dbraw/zinc/32/80/62/569328062.db2.gz QRXLFXCNWYTRNQ-UHFFFAOYSA-N 0 0 422.509 6.588 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000027521716 569328094 /nfs/dbraw/zinc/32/80/94/569328094.db2.gz CJUWILYQJADCPF-UHFFFAOYSA-N 0 0 414.686 5.586 50 0 HKAARN O=C(CSc1nnc(COc2ccccc2)o1)N(c1ccccc1)c1ccccc1 ZINC000027525728 558673877 /nfs/dbraw/zinc/67/38/77/558673877.db2.gz LRNLPHJQRFJCPW-UHFFFAOYSA-N 0 0 417.490 5.106 50 0 HKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027527383 569363915 /nfs/dbraw/zinc/36/39/15/569363915.db2.gz NJBBUSDIWBJIAU-UHFFFAOYSA-N 0 0 420.468 6.423 50 0 HKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000027527384 569363990 /nfs/dbraw/zinc/36/39/90/569363990.db2.gz XXAXFBVRPNQYIM-UHFFFAOYSA-N 0 0 424.887 7.068 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1OC ZINC000027527387 569363912 /nfs/dbraw/zinc/36/39/12/569363912.db2.gz QXCAHNANJHGAAS-UHFFFAOYSA-N 0 0 422.868 5.726 50 0 HKAARN CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 ZINC000027527747 569364126 /nfs/dbraw/zinc/36/41/26/569364126.db2.gz VGGSCAPFRFBFAE-UHFFFAOYSA-N 0 0 422.937 6.658 50 0 HKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000027527762 569364124 /nfs/dbraw/zinc/36/41/24/569364124.db2.gz WFJJHMUZDSYLEL-IAPPQJPRSA-N 0 0 420.512 6.481 50 0 HKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000027527763 569364103 /nfs/dbraw/zinc/36/41/03/569364103.db2.gz WFJJHMUZDSYLEL-IXCJQBJRSA-N 0 0 420.512 6.481 50 0 HKAARN COc1cccc(C(=O)Nc2nnc(CCSc3ccc4ccccc4c3)s2)c1 ZINC000027527787 569364121 /nfs/dbraw/zinc/36/41/21/569364121.db2.gz DRICPJGQQOJKOO-UHFFFAOYSA-N 0 0 421.547 5.287 50 0 HKAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000027527864 569364116 /nfs/dbraw/zinc/36/41/16/569364116.db2.gz INEGMBCURHYVHP-UHFFFAOYSA-N 0 0 412.582 5.828 50 0 HKAARN CC(C)(C)C1CCC(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)CC1 ZINC000027528041 569364111 /nfs/dbraw/zinc/36/41/11/569364111.db2.gz FGZRXXUORWNCST-UHFFFAOYSA-N 0 0 421.516 5.125 50 0 HKAARN O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000027528323 569364225 /nfs/dbraw/zinc/36/42/25/569364225.db2.gz ISESDPRVFYNYGM-UHFFFAOYSA-N 0 0 421.327 6.181 50 0 HKAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000027528335 569364261 /nfs/dbraw/zinc/36/42/61/569364261.db2.gz YPQSOMPIOLTWQJ-UHFFFAOYSA-N 0 0 424.460 5.332 50 0 HKAARN CCCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000027528415 569364265 /nfs/dbraw/zinc/36/42/65/569364265.db2.gz UDYMTDRRTNHHLQ-UHFFFAOYSA-N 0 0 419.525 5.007 50 0 HKAARN O=C1OC(c2ccccc2)=N/C1=C(/Sc1nc2ccccc2s1)c1ccccc1 ZINC000027529775 569366073 /nfs/dbraw/zinc/36/60/73/569366073.db2.gz YPJSINXLYOTBRC-FMQUCBEESA-N 0 0 414.511 5.761 50 0 HKAARN CCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC ZINC000027529795 569366075 /nfs/dbraw/zinc/36/60/75/569366075.db2.gz AOZGKMSDNAOGRZ-UHFFFAOYSA-N 0 0 409.486 5.084 50 0 HKAARN O=c1c2ccccc2nc(-c2cccs2)n1NCc1ccc(Cl)cc1Cl ZINC000027530996 569366397 /nfs/dbraw/zinc/36/63/97/569366397.db2.gz RDWALMZCQYCQAN-UHFFFAOYSA-N 0 0 402.306 5.176 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)c1ccccc1oc2=O ZINC000027531283 569366783 /nfs/dbraw/zinc/36/67/83/569366783.db2.gz IGKGRLQPMHHSLN-UHFFFAOYSA-N 0 0 405.353 5.159 50 0 HKAARN CCCCOc1ccc(CNn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000027531289 569366706 /nfs/dbraw/zinc/36/67/06/569366706.db2.gz CLVAULKDMOOGIJ-UHFFFAOYSA-N 0 0 417.484 5.125 50 0 HKAARN O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Cl)cc1Cl ZINC000027531304 569366780 /nfs/dbraw/zinc/36/67/80/569366780.db2.gz HHDBYFCXBZNXOQ-UHFFFAOYSA-N 0 0 414.267 5.253 50 0 HKAARN O=c1c2ccccc2nc(-c2ccccc2F)n1NCc1ccc(Cl)cc1Cl ZINC000027531326 569366855 /nfs/dbraw/zinc/36/68/55/569366855.db2.gz AXZDMYCDDCOUQT-UHFFFAOYSA-N 0 0 414.267 5.253 50 0 HKAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c1C ZINC000027531900 569367113 /nfs/dbraw/zinc/36/71/13/569367113.db2.gz UYEVYORFFNEGPN-GOSISDBHSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c1C ZINC000027531903 569367103 /nfs/dbraw/zinc/36/71/03/569367103.db2.gz UYEVYORFFNEGPN-SFHVURJKSA-N 0 0 420.365 5.042 50 0 HKAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2ccc(Cl)cc2Cl)c1 ZINC000027532193 569367422 /nfs/dbraw/zinc/36/74/22/569367422.db2.gz DXVLSPMCYZDUPK-UHFFFAOYSA-N 0 0 410.304 5.422 50 0 HKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(F)cc2)cc1 ZINC000027532283 569367587 /nfs/dbraw/zinc/36/75/87/569367587.db2.gz HRCZWBXUYNULLM-UHFFFAOYSA-N 0 0 401.485 5.289 50 0 HKAARN CCCCOc1ccc(CNn2c(=O)c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000027532302 569367546 /nfs/dbraw/zinc/36/75/46/569367546.db2.gz GOAZURUYWJYFOQ-UHFFFAOYSA-N 0 0 413.521 5.295 50 0 HKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2cccc(F)c2)cc1 ZINC000027532304 569367547 /nfs/dbraw/zinc/36/75/47/569367547.db2.gz CQJVBEUBAVWPQW-UHFFFAOYSA-N 0 0 401.485 5.289 50 0 HKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccccc2Cl)cc1 ZINC000027532307 569367539 /nfs/dbraw/zinc/36/75/39/569367539.db2.gz MYNRSYWXPMIKSO-UHFFFAOYSA-N 0 0 417.940 5.803 50 0 HKAARN CCCCc1ccc(-c2nc3ccccc3c(=O)n2NC/C=C/c2ccccc2)cc1 ZINC000027532319 569367584 /nfs/dbraw/zinc/36/75/84/569367584.db2.gz RLCBRUJGCBRJPP-UKTHLTGXSA-N 0 0 409.533 5.663 50 0 HKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(OC)cc3OC)n2)cc1 ZINC000027532341 569367586 /nfs/dbraw/zinc/36/75/86/569367586.db2.gz HTINYDOXIHBUDP-UHFFFAOYSA-N 0 0 413.521 6.400 50 0 HKAARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000027532453 558674305 /nfs/dbraw/zinc/67/43/05/558674305.db2.gz GNYMLVZZFMGBIF-YBEGLDIGSA-N 0 0 419.911 5.287 50 0 HKAARN O=C(Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1)c1cc2ccccc2o1 ZINC000027533445 569367972 /nfs/dbraw/zinc/36/79/72/569367972.db2.gz OEQPSVBXRKXPOC-UHFFFAOYSA-N 0 0 422.366 5.438 50 0 HKAARN O=C(COc1cccc2ccccc21)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000027533510 569367933 /nfs/dbraw/zinc/36/79/33/569367933.db2.gz OBNVQBDXUUCPOA-UHFFFAOYSA-N 0 0 402.475 5.171 50 0 HKAARN Cc1cc(Br)ccc1Nc1nc(-c2ccccc2F)nc2ccccc21 ZINC000027534189 569368585 /nfs/dbraw/zinc/36/85/85/569368585.db2.gz TVNXFWDDXBQDJQ-UHFFFAOYSA-N 0 0 408.274 6.250 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000027534243 571049487 /nfs/dbraw/zinc/04/94/87/571049487.db2.gz HGLSORNJIZZLJS-HXUWFJFHSA-N 0 0 424.850 5.139 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000027534245 571049522 /nfs/dbraw/zinc/04/95/22/571049522.db2.gz HGLSORNJIZZLJS-FQEVSTJZSA-N 0 0 424.850 5.139 50 0 HKAARN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)cc1 ZINC000027534513 571049454 /nfs/dbraw/zinc/04/94/54/571049454.db2.gz OCFFVRZNZDJFLU-AWEZNQCLSA-N 0 0 410.543 5.030 50 0 HKAARN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)cc1 ZINC000027534515 571049405 /nfs/dbraw/zinc/04/94/05/571049405.db2.gz OCFFVRZNZDJFLU-CQSZACIVSA-N 0 0 410.543 5.030 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2ncnc(N3CCCC[C@@H]3C)c2c1C ZINC000027534532 132491383 /nfs/dbraw/zinc/49/13/83/132491383.db2.gz LUGONXWYOYDVPO-AWEZNQCLSA-N 0 0 410.543 5.030 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2ncnc(N3CCCC[C@H]3C)c2c1C ZINC000027534534 571049377 /nfs/dbraw/zinc/04/93/77/571049377.db2.gz LUGONXWYOYDVPO-CQSZACIVSA-N 0 0 410.543 5.030 50 0 HKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000027534670 571049478 /nfs/dbraw/zinc/04/94/78/571049478.db2.gz PQIRAJYGNOMFMC-UHFFFAOYSA-N 0 0 424.806 5.836 50 0 HKAARN COc1cccc(-c2nc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)[nH]2)c1OC ZINC000027548119 569372084 /nfs/dbraw/zinc/37/20/84/569372084.db2.gz VOPZBJWXMNHQEV-UHFFFAOYSA-N 0 0 424.422 6.447 50 0 HKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OC ZINC000027548123 569372066 /nfs/dbraw/zinc/37/20/66/569372066.db2.gz XXSXNGMSKHZJHG-UHFFFAOYSA-N 0 0 424.422 6.447 50 0 HKAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000027549183 569372579 /nfs/dbraw/zinc/37/25/79/569372579.db2.gz IRZWNZLTBSAVOE-UHFFFAOYSA-N 0 0 406.360 5.062 50 0 HKAARN O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000027551282 569372681 /nfs/dbraw/zinc/37/26/81/569372681.db2.gz QIGBIECHXAPIDO-WQRHYEAKSA-N 0 0 413.260 5.346 50 0 HKAARN Cc1ccc(SC(Sc2ccc(C)cc2)=C2N=C(c3ccccc3)OC2=O)cc1 ZINC000027562083 558675002 /nfs/dbraw/zinc/67/50/02/558675002.db2.gz XWSAXBSVZMVQDK-UHFFFAOYSA-N 0 0 417.555 6.361 50 0 HKAARN O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1ccco1 ZINC000027562107 558675097 /nfs/dbraw/zinc/67/50/97/558675097.db2.gz QVIWVPODONQHHQ-UHFFFAOYSA-N 0 0 414.442 5.429 50 0 HKAARN N=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000027562113 558675083 /nfs/dbraw/zinc/67/50/83/558675083.db2.gz HSJZUHIFAZAKCU-UHFFFAOYSA-N 0 0 413.458 5.548 50 0 HKAARN COC(=O)C(NC(=O)c1ccccc1)=C(Sc1ccccc1)Sc1ccccc1 ZINC000027562139 558674972 /nfs/dbraw/zinc/67/49/72/558674972.db2.gz BOLOESGKFSFNJW-UHFFFAOYSA-N 0 0 421.543 5.343 50 0 HKAARN Cc1ccc(C2=NC(=C(Sc3ccccc3)Sc3ccccc3)C(=O)O2)cc1 ZINC000027562157 558675078 /nfs/dbraw/zinc/67/50/78/558675078.db2.gz KZWDPRZFAZYGIK-UHFFFAOYSA-N 0 0 403.528 6.052 50 0 HKAARN COC(=O)c1sc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1N ZINC000027562661 558675072 /nfs/dbraw/zinc/67/50/72/558675072.db2.gz ZWYGNINAZYEOTN-UHFFFAOYSA-N 0 0 418.927 5.174 50 0 HKAARN O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C1N(c2ccccc2)CCN1c1ccccc1 ZINC000027571337 569374576 /nfs/dbraw/zinc/37/45/76/569374576.db2.gz INEKIFZTFHFNBP-UHFFFAOYSA-N 0 0 410.688 5.345 50 0 HKAARN Cc1ccc(SC(=C(c2nc3ccccc3s2)[N+](=O)[O-])C(Cl)Cl)cc1 ZINC000027571444 569374732 /nfs/dbraw/zinc/37/47/32/569374732.db2.gz UVYRKYFXEABXPP-SAPNQHFASA-N 0 0 411.335 6.397 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(C(F)(F)F)cc2)C1=O ZINC000027572783 569374697 /nfs/dbraw/zinc/37/46/97/569374697.db2.gz QADSQYPKNCNWAD-XSFVSMFZSA-N 0 0 422.406 5.654 50 0 HKAARN Cc1ccccc1C1=N/C(=C/c2cc3ccccc3nc2Sc2ccccc2)C(=O)O1 ZINC000027573030 569374777 /nfs/dbraw/zinc/37/47/77/569374777.db2.gz RNYVRXYIMQOKKY-XQNSMLJCSA-N 0 0 422.509 6.039 50 0 HKAARN CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc2ccc(C)cc2)C1=O ZINC000027573053 569374747 /nfs/dbraw/zinc/37/47/47/569374747.db2.gz SDSJFRHKHRJEET-PTOVGEMASA-N 0 0 419.531 5.092 50 0 HKAARN CC(=O)N1C(=N)S/C(=C/c2cc3cc(C)ccc3nc2Sc2ccccc2)C1=O ZINC000027573064 569374816 /nfs/dbraw/zinc/37/48/16/569374816.db2.gz OQSLJCSDVRBPDY-PTOVGEMASA-N 0 0 419.531 5.092 50 0 HKAARN Cc1ccc(Sc2nc3c(C)cccc3cc2C=C2SC(=S)NC2=O)cc1 ZINC000027573067 569374809 /nfs/dbraw/zinc/37/48/09/569374809.db2.gz AYDGFFICHOSXAP-BOPFTXTBSA-N 0 0 408.573 6.332 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(OCC)cc4s3)no2)cc1 ZINC000027579945 558675466 /nfs/dbraw/zinc/67/54/66/558675466.db2.gz XICFDIXAINEUQC-UHFFFAOYSA-N 0 0 409.467 5.001 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1 ZINC000027579960 558675463 /nfs/dbraw/zinc/67/54/63/558675463.db2.gz HDILGYOJYWEKFX-UHFFFAOYSA-N 0 0 412.445 5.224 50 0 HKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027580196 558675442 /nfs/dbraw/zinc/67/54/42/558675442.db2.gz MGGLMDAVGDAXCU-UHFFFAOYSA-N 0 0 412.489 5.814 50 0 HKAARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)oc2cc(C)cc(C)c12 ZINC000027580374 558675674 /nfs/dbraw/zinc/67/56/74/558675674.db2.gz PLDDEQQFMSULIQ-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000027580519 558675793 /nfs/dbraw/zinc/67/57/93/558675793.db2.gz RGEZWGJOCWWPSX-UHFFFAOYSA-N 0 0 405.454 5.449 50 0 HKAARN Cc1c(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)oc2cc(C)cc(C)c12 ZINC000027580536 558675667 /nfs/dbraw/zinc/67/56/67/558675667.db2.gz BJHLUPXEJXUBFZ-UHFFFAOYSA-N 0 0 405.454 5.448 50 0 HKAARN Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580557 558675696 /nfs/dbraw/zinc/67/56/96/558675696.db2.gz VCXVLIYBYZLENV-OAQYLSRUSA-N 0 0 424.972 5.968 50 0 HKAARN Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580560 558675678 /nfs/dbraw/zinc/67/56/78/558675678.db2.gz VCXVLIYBYZLENV-NRFANRHFSA-N 0 0 424.972 5.968 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(C)c3)on1)CCCC2 ZINC000027582611 558675966 /nfs/dbraw/zinc/67/59/66/558675966.db2.gz BSBGBBXOCVFJGV-UHFFFAOYSA-N 0 0 424.522 5.328 50 0 HKAARN CCCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000027583218 558676167 /nfs/dbraw/zinc/67/61/67/558676167.db2.gz SHPXSUCFUBOVHF-UHFFFAOYSA-N 0 0 409.417 5.362 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027583264 558676122 /nfs/dbraw/zinc/67/61/22/558676122.db2.gz RILYXVWSJRYFRC-HXUWFJFHSA-N 0 0 414.908 5.491 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027583271 558676179 /nfs/dbraw/zinc/67/61/79/558676179.db2.gz RILYXVWSJRYFRC-FQEVSTJZSA-N 0 0 414.908 5.491 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2coc3ccccc3c2=O)cc1 ZINC000027583671 558676099 /nfs/dbraw/zinc/67/60/99/558676099.db2.gz LGJHCKDSDYSNCD-UHFFFAOYSA-N 0 0 423.424 5.331 50 0 HKAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCC(Cc2ccccc2)CC1 ZINC000027584860 558676509 /nfs/dbraw/zinc/67/65/09/558676509.db2.gz GSWSPQAIOVAIBT-UHFFFAOYSA-N 0 0 424.592 6.035 50 0 HKAARN CCCc1cc(Nc2ccc(Br)cc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000027584904 558676381 /nfs/dbraw/zinc/67/63/81/558676381.db2.gz KSNHIHSIGVSEQX-UHFFFAOYSA-N 0 0 421.342 6.163 50 0 HKAARN Cc1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000027584910 558676352 /nfs/dbraw/zinc/67/63/52/558676352.db2.gz NTQZJQDXNLWILE-UHFFFAOYSA-N 0 0 413.706 5.864 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(Cl)cc2)c1-c1ccccc1 ZINC000027584982 558676493 /nfs/dbraw/zinc/67/64/93/558676493.db2.gz WEULBJYSIUTULJ-UHFFFAOYSA-N 0 0 410.908 6.769 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2NCCc2ccccc2)c1-c1ccccc1 ZINC000027584993 558676429 /nfs/dbraw/zinc/67/64/29/558676429.db2.gz LLOFUQDUKZQILS-UHFFFAOYSA-N 0 0 404.517 6.026 50 0 HKAARN COc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000027584998 558676497 /nfs/dbraw/zinc/67/64/97/558676497.db2.gz IYTJYKWUQAREDF-UHFFFAOYSA-N 0 0 406.489 6.124 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000027585011 558676401 /nfs/dbraw/zinc/67/64/01/558676401.db2.gz ZFKNZBCTLPDENA-UHFFFAOYSA-N 0 0 410.908 6.769 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(C)c(C)c2)c1-c1ccccc1 ZINC000027585024 558676409 /nfs/dbraw/zinc/67/64/09/558676409.db2.gz XBLGKJLNAKNEGK-UHFFFAOYSA-N 0 0 404.517 6.732 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(N(C)C)cc2)c1-c1ccccc1 ZINC000027585029 558676422 /nfs/dbraw/zinc/67/64/22/558676422.db2.gz MAINHKUFBLNNEN-UHFFFAOYSA-N 0 0 419.532 6.181 50 0 HKAARN CCOc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000027585040 558676363 /nfs/dbraw/zinc/67/63/63/558676363.db2.gz BOYFHOWZJNSYBU-UHFFFAOYSA-N 0 0 420.516 6.514 50 0 HKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(C(C)C)cc2)c1-c1ccccc1 ZINC000027585083 558676513 /nfs/dbraw/zinc/67/65/13/558676513.db2.gz XCTAGMXDRBZEDZ-UHFFFAOYSA-N 0 0 418.544 7.239 50 0 HKAARN COc1cccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn32)c1 ZINC000027585088 558676448 /nfs/dbraw/zinc/67/64/48/558676448.db2.gz ADODTVRSONWMQZ-UHFFFAOYSA-N 0 0 406.489 6.124 50 0 HKAARN COc1ccc(-c2nc(CSc3ccc(NC(C)=O)cc3)cs2)c(OC)c1 ZINC000027593970 558677056 /nfs/dbraw/zinc/67/70/56/558677056.db2.gz JYYJJWQDUVFCKD-UHFFFAOYSA-N 0 0 400.525 5.078 50 0 HKAARN COc1ccc(-c2nc(CSc3nnc(C(C)C)n3C3CC3)cs2)c(OC)c1 ZINC000027595531 569375631 /nfs/dbraw/zinc/37/56/31/569375631.db2.gz UYYSTQAKGRWKJP-UHFFFAOYSA-N 0 0 416.572 5.169 50 0 HKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000027638979 558677463 /nfs/dbraw/zinc/67/74/63/558677463.db2.gz CKYRDUYLZURYNW-UHFFFAOYSA-N 0 0 421.353 5.601 50 0 HKAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCCC(=O)c1cccs1 ZINC000027644028 569385689 /nfs/dbraw/zinc/38/56/89/569385689.db2.gz JNVOEWSKOWMZQX-UHFFFAOYSA-N 0 0 422.554 5.033 50 0 HKAARN NC(=O)c1cccc(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)c1 ZINC000027646193 569385690 /nfs/dbraw/zinc/38/56/90/569385690.db2.gz JMLPLSJWSHVJLP-UHFFFAOYSA-N 0 0 416.521 5.344 50 0 in-vivo HKAARN COc1ccc(-c2nc(CSc3nc(-c4ccccc4)c[nH]3)cs2)cc1OC ZINC000027660186 558677970 /nfs/dbraw/zinc/67/79/70/558677970.db2.gz XUWNSITZDLDASG-UHFFFAOYSA-N 0 0 409.536 5.510 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027662292 558678251 /nfs/dbraw/zinc/67/82/51/558678251.db2.gz DRYYRAQMHKWBIV-LJQANCHMSA-N 0 0 400.881 5.101 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027662294 558678138 /nfs/dbraw/zinc/67/81/38/558678138.db2.gz DRYYRAQMHKWBIV-IBGZPJMESA-N 0 0 400.881 5.101 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027662340 558678146 /nfs/dbraw/zinc/67/81/46/558678146.db2.gz YJIYZJJGQVXBHX-JOCHJYFZSA-N 0 0 424.972 5.968 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027662342 558678243 /nfs/dbraw/zinc/67/82/43/558678243.db2.gz YJIYZJJGQVXBHX-QFIPXVFZSA-N 0 0 424.972 5.968 50 0 HKAARN Cc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000027662413 558678226 /nfs/dbraw/zinc/67/82/26/558678226.db2.gz XWJFBJGPUNVUDM-UHFFFAOYSA-N 0 0 414.328 5.092 50 0 HKAARN COc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1OC ZINC000027662678 558678366 /nfs/dbraw/zinc/67/83/66/558678366.db2.gz AVIIICKJLRNMHN-UHFFFAOYSA-N 0 0 404.510 5.243 50 0 HKAARN O=C(c1cc2ccccc2oc1=O)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662829 558678337 /nfs/dbraw/zinc/67/83/37/558678337.db2.gz ZPEFCRZSHRNJGU-UHFFFAOYSA-N 0 0 406.441 5.188 50 0 HKAARN CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1Cl ZINC000027662943 558678341 /nfs/dbraw/zinc/67/83/41/558678341.db2.gz GAQNMBLMMCSGQB-UHFFFAOYSA-N 0 0 424.309 5.172 50 0 HKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027663236 558678580 /nfs/dbraw/zinc/67/85/80/558678580.db2.gz BCTNHYPPFGQSQC-UHFFFAOYSA-N 0 0 405.454 5.449 50 0 HKAARN CCCCOc1ccc(-c2nonc2NC(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027663238 558678553 /nfs/dbraw/zinc/67/85/53/558678553.db2.gz RVZAQXCOTXGQJE-UHFFFAOYSA-N 0 0 419.481 5.839 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000027663245 558678774 /nfs/dbraw/zinc/67/87/74/558678774.db2.gz UBPSIZFZELZPPP-UHFFFAOYSA-N 0 0 405.454 5.448 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1Cl ZINC000027663392 558678838 /nfs/dbraw/zinc/67/88/38/558678838.db2.gz CTDISEGQXUWAKU-UHFFFAOYSA-N 0 0 422.268 5.093 50 0 HKAARN CCc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1 ZINC000027663602 558678913 /nfs/dbraw/zinc/67/89/13/558678913.db2.gz DIYGLTSNJYPCAU-UHFFFAOYSA-N 0 0 404.897 6.199 50 0 HKAARN CCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663732 558679007 /nfs/dbraw/zinc/67/90/07/558679007.db2.gz CKMKOCYCVCXUHH-JOCHJYFZSA-N 0 0 400.950 5.086 50 0 HKAARN CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663734 558678940 /nfs/dbraw/zinc/67/89/40/558678940.db2.gz CKMKOCYCVCXUHH-QFIPXVFZSA-N 0 0 400.950 5.086 50 0 HKAARN CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663753 558678936 /nfs/dbraw/zinc/67/89/36/558678936.db2.gz DQOAGCSARZNRLK-HSZRJFAPSA-N 0 0 414.977 5.186 50 0 HKAARN CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663755 558678926 /nfs/dbraw/zinc/67/89/26/558678926.db2.gz DQOAGCSARZNRLK-QHCPKHFHSA-N 0 0 414.977 5.186 50 0 HKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc4ccccc43)n2)c1 ZINC000027663844 558678966 /nfs/dbraw/zinc/67/89/66/558678966.db2.gz XBUSALVKQGVZMV-UHFFFAOYSA-N 0 0 419.937 6.136 50 0 HKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc4ccccc4c3)n2)c1 ZINC000027663848 558678969 /nfs/dbraw/zinc/67/89/69/558678969.db2.gz XSKFWHZDZSWSRO-UHFFFAOYSA-N 0 0 419.937 6.136 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663885 558679186 /nfs/dbraw/zinc/67/91/86/558679186.db2.gz ZZRGWZHRJDXSMP-JOCHJYFZSA-N 0 0 400.950 5.084 50 0 HKAARN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027663887 558679257 /nfs/dbraw/zinc/67/92/57/558679257.db2.gz ZZRGWZHRJDXSMP-QFIPXVFZSA-N 0 0 400.950 5.084 50 0 HKAARN CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1 ZINC000027664104 558679252 /nfs/dbraw/zinc/67/92/52/558679252.db2.gz XMHDMFBPFPSUMX-UHFFFAOYSA-N 0 0 416.340 5.756 50 0 HKAARN Cc1cccc(NC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)c1 ZINC000027664157 558679400 /nfs/dbraw/zinc/67/94/00/558679400.db2.gz WBAYDGPHWWCKEC-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN O=C(Nc1ccccc1F)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000027664159 558679409 /nfs/dbraw/zinc/67/94/09/558679409.db2.gz LIIMUUSTLUWQBZ-UHFFFAOYSA-N 0 0 408.285 5.467 50 0 HKAARN CCOc1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Cl ZINC000027664166 558679490 /nfs/dbraw/zinc/67/94/90/558679490.db2.gz VYIUSXNJFLEAPU-UHFFFAOYSA-N 0 0 413.930 5.382 50 0 HKAARN Cc1cccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)c1 ZINC000027664169 558679454 /nfs/dbraw/zinc/67/94/54/558679454.db2.gz BUMCIDGIEGASAK-UHFFFAOYSA-N 0 0 404.322 5.636 50 0 HKAARN O=C(Nc1ccccc1F)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000027664170 558679405 /nfs/dbraw/zinc/67/94/05/558679405.db2.gz ZCXLDWATZNNLEF-UHFFFAOYSA-N 0 0 408.285 5.467 50 0 HKAARN Cc1c2ccc(Br)cc2oc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000027664175 558679407 /nfs/dbraw/zinc/67/94/07/558679407.db2.gz KLOIPDDLPGSAML-UHFFFAOYSA-N 0 0 414.255 5.532 50 0 HKAARN CCCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027664284 558679426 /nfs/dbraw/zinc/67/94/26/558679426.db2.gz JUNZIKYJLUAXOW-OAQYLSRUSA-N 0 0 400.950 5.086 50 0 HKAARN CCCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027664285 558679495 /nfs/dbraw/zinc/67/94/95/558679495.db2.gz JUNZIKYJLUAXOW-NRFANRHFSA-N 0 0 400.950 5.086 50 0 HKAARN COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2Br)c1 ZINC000027664308 558679536 /nfs/dbraw/zinc/67/95/36/558679536.db2.gz BMBCDVVXZAXCLS-UHFFFAOYSA-N 0 0 402.313 5.366 50 0 HKAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(C)c2)cc1 ZINC000027664433 558679700 /nfs/dbraw/zinc/67/97/00/558679700.db2.gz YKMYGPFDBACYIZ-UHFFFAOYSA-N 0 0 414.461 5.183 50 0 HKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000027664493 558679632 /nfs/dbraw/zinc/67/96/32/558679632.db2.gz DVVTXKMZQWIJBV-UHFFFAOYSA-N 0 0 414.339 5.549 50 0 HKAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)c1 ZINC000027664501 558679629 /nfs/dbraw/zinc/67/96/29/558679629.db2.gz BAROLNRIZWQVGU-UHFFFAOYSA-N 0 0 400.434 5.011 50 0 HKAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027664514 558679609 /nfs/dbraw/zinc/67/96/09/558679609.db2.gz FSCXFLREYLAUHU-SOSWSAFESA-N 0 0 400.994 5.200 50 0 HKAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027664515 558679648 /nfs/dbraw/zinc/67/96/48/558679648.db2.gz FSCXFLREYLAUHU-NIRMEOIISA-N 0 0 400.994 5.200 50 0 HKAARN CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000027664516 558679666 /nfs/dbraw/zinc/67/96/66/558679666.db2.gz BGBXYDOHWOYWEW-OAQYLSRUSA-N 0 0 400.950 5.086 50 0 HKAARN CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000027664517 558679603 /nfs/dbraw/zinc/67/96/03/558679603.db2.gz BGBXYDOHWOYWEW-NRFANRHFSA-N 0 0 400.950 5.086 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000027664671 558679840 /nfs/dbraw/zinc/67/98/40/558679840.db2.gz UDABJJKNEONRDC-UHFFFAOYSA-N 0 0 411.910 6.312 50 0 HKAARN CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000027666545 558679897 /nfs/dbraw/zinc/67/98/97/558679897.db2.gz NDYVPWDWOFEOEB-RUZDIDTESA-N 0 0 403.607 5.834 50 0 HKAARN CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 ZINC000027666546 558679836 /nfs/dbraw/zinc/67/98/36/558679836.db2.gz NDYVPWDWOFEOEB-VWLOTQADSA-N 0 0 403.607 5.834 50 0 HKAARN CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1cccc(Br)c1 ZINC000027680007 558680360 /nfs/dbraw/zinc/68/03/60/558680360.db2.gz ZRAWPQSDTMZUTA-UHFFFAOYSA-N 0 0 405.317 5.070 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000027680354 569390007 /nfs/dbraw/zinc/39/00/07/569390007.db2.gz MFERFNBYAXHQSW-CYBMUJFWSA-N 0 0 424.863 5.119 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000027680360 569389939 /nfs/dbraw/zinc/38/99/39/569389939.db2.gz MFERFNBYAXHQSW-ZDUSSCGKSA-N 0 0 424.863 5.119 50 0 HKAARN O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1Cl ZINC000027694302 558680301 /nfs/dbraw/zinc/68/03/01/558680301.db2.gz NZGXEPFARNAEAD-UHFFFAOYSA-N 0 0 410.304 5.573 50 0 HKAARN O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000027694308 558680256 /nfs/dbraw/zinc/68/02/56/558680256.db2.gz BFGQGMCARNFBMZ-UHFFFAOYSA-N 0 0 410.304 5.573 50 0 HKAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(F)cc2)c(Br)c1 ZINC000027698652 569390338 /nfs/dbraw/zinc/39/03/38/569390338.db2.gz XXORDHYNBXLHBZ-UHFFFAOYSA-N 0 0 408.311 5.683 50 0 HKAARN Cc1sc(NC(=O)COc2ccccc2Br)nc1-c1ccc(C)cc1 ZINC000027698678 569390953 /nfs/dbraw/zinc/39/09/53/569390953.db2.gz ZHEJXAFNLCPWSV-UHFFFAOYSA-N 0 0 417.328 5.207 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000027698691 569390950 /nfs/dbraw/zinc/39/09/50/569390950.db2.gz ZQRKOUYEBZGGSE-UHFFFAOYSA-N 0 0 400.931 5.779 50 0 HKAARN C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Br)c1 ZINC000027736045 558680496 /nfs/dbraw/zinc/68/04/96/558680496.db2.gz KXXOFOYRVOWFQH-LLVKDONJSA-N 0 0 407.358 5.054 50 0 HKAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Br)c1 ZINC000027736052 558680550 /nfs/dbraw/zinc/68/05/50/558680550.db2.gz KXXOFOYRVOWFQH-NSHDSACASA-N 0 0 407.358 5.054 50 0 HKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1C ZINC000027739882 558680432 /nfs/dbraw/zinc/68/04/32/558680432.db2.gz AIPOEZHGVVNBSL-UHFFFAOYSA-N 0 0 400.341 5.974 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)c2ccccn2)cc(C)c1Cl ZINC000027739944 558680518 /nfs/dbraw/zinc/68/05/18/558680518.db2.gz XTXWILXZZVXQET-MRXNPFEDSA-N 0 0 400.931 5.414 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)c2ccccn2)cc(C)c1Cl ZINC000027739954 558680494 /nfs/dbraw/zinc/68/04/94/558680494.db2.gz XTXWILXZZVXQET-INIZCTEOSA-N 0 0 400.931 5.414 50 0 HKAARN CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1 ZINC000027740177 558680756 /nfs/dbraw/zinc/68/07/56/558680756.db2.gz DWGXHBUZIUSULH-UHFFFAOYSA-N 0 0 416.340 5.756 50 0 HKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1C ZINC000027740318 558680742 /nfs/dbraw/zinc/68/07/42/558680742.db2.gz JNQLGNHXKIAWNW-UHFFFAOYSA-N 0 0 400.341 5.974 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000027740559 558680689 /nfs/dbraw/zinc/68/06/89/558680689.db2.gz ACNOBQRHCJYAQD-UHFFFAOYSA-N 0 0 402.155 5.371 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1ccccc1 ZINC000027742027 558680777 /nfs/dbraw/zinc/68/07/77/558680777.db2.gz RFIZKYVMXJASDU-HXUWFJFHSA-N 0 0 419.322 5.492 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1ccccc1 ZINC000027742036 558680747 /nfs/dbraw/zinc/68/07/47/558680747.db2.gz RFIZKYVMXJASDU-FQEVSTJZSA-N 0 0 419.322 5.492 50 0 HKAARN CCC(CC)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027742060 558680693 /nfs/dbraw/zinc/68/06/93/558680693.db2.gz YTOIBEWWHRRCBO-IBGZPJMESA-N 0 0 413.359 5.615 50 0 HKAARN CCC(CC)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000027742068 558680661 /nfs/dbraw/zinc/68/06/61/558680661.db2.gz YTOIBEWWHRRCBO-LJQANCHMSA-N 0 0 413.359 5.615 50 0 HKAARN CCCOc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 ZINC000027742145 558680657 /nfs/dbraw/zinc/68/06/57/558680657.db2.gz OVJSGPIOERBMJQ-UHFFFAOYSA-N 0 0 401.260 5.145 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1 ZINC000027742152 558680675 /nfs/dbraw/zinc/68/06/75/558680675.db2.gz YMGSKXYDYWTWBS-UHFFFAOYSA-N 0 0 406.869 5.645 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027743970 558681026 /nfs/dbraw/zinc/68/10/26/558681026.db2.gz OSMXXFRMCJGJAB-UHFFFAOYSA-N 0 0 415.287 5.245 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc1OC ZINC000027744154 558680999 /nfs/dbraw/zinc/68/09/99/558680999.db2.gz RRXGSPLAWHYDPT-UHFFFAOYSA-N 0 0 402.450 5.000 50 0 HKAARN COc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000027744344 558680973 /nfs/dbraw/zinc/68/09/73/558680973.db2.gz HJLFWRBJJHBKPX-FQEVSTJZSA-N 0 0 404.897 5.392 50 0 HKAARN COc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000027744354 558681041 /nfs/dbraw/zinc/68/10/41/558681041.db2.gz HJLFWRBJJHBKPX-HXUWFJFHSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744364 558681070 /nfs/dbraw/zinc/68/10/70/558681070.db2.gz WFKSGRIEJAPHIH-FQEVSTJZSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744373 558680995 /nfs/dbraw/zinc/68/09/95/558680995.db2.gz WFKSGRIEJAPHIH-HXUWFJFHSA-N 0 0 404.897 5.392 50 0 HKAARN Cc1ccccc1OCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027744416 558681074 /nfs/dbraw/zinc/68/10/74/558681074.db2.gz GXFYNEWAUFRIEL-FQEVSTJZSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1ccccc1OCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027744424 558681046 /nfs/dbraw/zinc/68/10/46/558681046.db2.gz GXFYNEWAUFRIEL-HXUWFJFHSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1cccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000027744434 558680987 /nfs/dbraw/zinc/68/09/87/558680987.db2.gz WKKXDYSFSZNKAY-NRFANRHFSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1cccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000027744443 558681114 /nfs/dbraw/zinc/68/11/14/558681114.db2.gz WKKXDYSFSZNKAY-OAQYLSRUSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744455 558681007 /nfs/dbraw/zinc/68/10/07/558681007.db2.gz GPOQDCBVFBKJTP-NRFANRHFSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027744465 558681066 /nfs/dbraw/zinc/68/10/66/558681066.db2.gz GPOQDCBVFBKJTP-OAQYLSRUSA-N 0 0 418.924 5.457 50 0 HKAARN CCOc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC000027744547 558680977 /nfs/dbraw/zinc/68/09/77/558680977.db2.gz NCEWEZIJJXIBRG-QHCPKHFHSA-N 0 0 414.505 5.137 50 0 HKAARN CCOc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC000027744554 558681002 /nfs/dbraw/zinc/68/10/02/558681002.db2.gz NCEWEZIJJXIBRG-HSZRJFAPSA-N 0 0 414.505 5.137 50 0 HKAARN CCOc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027744566 558681034 /nfs/dbraw/zinc/68/10/34/558681034.db2.gz WMHUWISAFFSXMJ-QHCPKHFHSA-N 0 0 414.505 5.137 50 0 HKAARN CCOc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000027744574 558680991 /nfs/dbraw/zinc/68/09/91/558680991.db2.gz WMHUWISAFFSXMJ-HSZRJFAPSA-N 0 0 414.505 5.137 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1ccco1 ZINC000027744705 558681051 /nfs/dbraw/zinc/68/10/51/558681051.db2.gz IYMJPEYXYMUFHX-QGZVFWFLSA-N 0 0 409.283 5.085 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1)c1ccco1 ZINC000027744711 558681081 /nfs/dbraw/zinc/68/10/81/558681081.db2.gz IYMJPEYXYMUFHX-KRWDZBQOSA-N 0 0 409.283 5.085 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)no2)cc1 ZINC000027745065 558681060 /nfs/dbraw/zinc/68/10/60/558681060.db2.gz QHKKCYKGYFKVGK-UHFFFAOYSA-N 0 0 410.779 5.665 50 0 HKAARN CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000027745487 558681251 /nfs/dbraw/zinc/68/12/51/558681251.db2.gz IBRYHTWIOYVMPT-UHFFFAOYSA-N 0 0 404.240 6.026 50 0 HKAARN COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000027746067 558681209 /nfs/dbraw/zinc/68/12/09/558681209.db2.gz QSTXNTILINMQKH-HXUWFJFHSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc([C@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc32)cc1 ZINC000027746076 558681242 /nfs/dbraw/zinc/68/12/42/558681242.db2.gz QSTXNTILINMQKH-FQEVSTJZSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746083 558681298 /nfs/dbraw/zinc/68/12/98/558681298.db2.gz QFQWRHXTJRCXMT-OAQYLSRUSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc32)cc1 ZINC000027746092 558681165 /nfs/dbraw/zinc/68/11/65/558681165.db2.gz QFQWRHXTJRCXMT-NRFANRHFSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746102 558681189 /nfs/dbraw/zinc/68/11/89/558681189.db2.gz FOCQPFYRLUPTII-OAQYLSRUSA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1 ZINC000027746109 558681226 /nfs/dbraw/zinc/68/12/26/558681226.db2.gz FOCQPFYRLUPTII-NRFANRHFSA-N 0 0 404.897 5.392 50 0 HKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1C ZINC000027746779 558681316 /nfs/dbraw/zinc/68/13/16/558681316.db2.gz DVNYDCWUZJOMPG-UHFFFAOYSA-N 0 0 411.845 5.404 50 0 HKAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746841 558681447 /nfs/dbraw/zinc/68/14/47/558681447.db2.gz XTQWXTCWXRLCIY-NRFANRHFSA-N 0 0 404.897 5.148 50 0 HKAARN CCOc1ccc(CN(C)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1 ZINC000027746848 558681487 /nfs/dbraw/zinc/68/14/87/558681487.db2.gz XPTWUYXFGRMZLU-UHFFFAOYSA-N 0 0 402.853 5.113 50 0 HKAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746849 558681427 /nfs/dbraw/zinc/68/14/27/558681427.db2.gz XTQWXTCWXRLCIY-OAQYLSRUSA-N 0 0 404.897 5.148 50 0 HKAARN Cc1cc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)ccc1Cl ZINC000027746913 558681465 /nfs/dbraw/zinc/68/14/65/558681465.db2.gz IMIYYAOEBDXNLU-NRFANRHFSA-N 0 0 418.924 5.457 50 0 HKAARN Cc1cc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)ccc1Cl ZINC000027746921 558681485 /nfs/dbraw/zinc/68/14/85/558681485.db2.gz IMIYYAOEBDXNLU-OAQYLSRUSA-N 0 0 418.924 5.457 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(Br)cc1 ZINC000027746949 558681430 /nfs/dbraw/zinc/68/14/30/558681430.db2.gz PUVYZYZKZUPNQQ-FQEVSTJZSA-N 0 0 419.322 5.492 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(Br)cc1 ZINC000027746959 558681498 /nfs/dbraw/zinc/68/14/98/558681498.db2.gz PUVYZYZKZUPNQQ-HXUWFJFHSA-N 0 0 419.322 5.492 50 0 HKAARN COc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1Cl ZINC000027746966 558681479 /nfs/dbraw/zinc/68/14/79/558681479.db2.gz QLMQXNTYVJGYJB-IBGZPJMESA-N 0 0 404.897 5.392 50 0 HKAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1Cl ZINC000027746974 558681444 /nfs/dbraw/zinc/68/14/44/558681444.db2.gz QLMQXNTYVJGYJB-LJQANCHMSA-N 0 0 404.897 5.392 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027747156 558681439 /nfs/dbraw/zinc/68/14/39/558681439.db2.gz CKFNANCLIFCHRZ-UHFFFAOYSA-N 0 0 401.260 5.144 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C ZINC000027747175 558681433 /nfs/dbraw/zinc/68/14/33/558681433.db2.gz PILOYRKLDVNNHC-CQSZACIVSA-N 0 0 415.287 5.127 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C ZINC000027747182 558681415 /nfs/dbraw/zinc/68/14/15/558681415.db2.gz PILOYRKLDVNNHC-AWEZNQCLSA-N 0 0 415.287 5.127 50 0 HKAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 ZINC000027747272 558681406 /nfs/dbraw/zinc/68/14/06/558681406.db2.gz HMBJLFJVJIOCJV-CQSZACIVSA-N 0 0 415.287 5.127 50 0 HKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 ZINC000027747282 558681519 /nfs/dbraw/zinc/68/15/19/558681519.db2.gz HMBJLFJVJIOCJV-AWEZNQCLSA-N 0 0 415.287 5.127 50 0 HKAARN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027747369 558681511 /nfs/dbraw/zinc/68/15/11/558681511.db2.gz SGQRMKADIWLYER-UHFFFAOYSA-N 0 0 401.260 5.145 50 0 HKAARN O=C(COc1cccc(Cl)c1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027747571 558681585 /nfs/dbraw/zinc/68/15/85/558681585.db2.gz XZDBZAKTHIZXGC-NRFANRHFSA-N 0 0 404.897 5.148 50 0 HKAARN O=C(COc1cccc(Cl)c1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027747580 558681712 /nfs/dbraw/zinc/68/17/12/558681712.db2.gz XZDBZAKTHIZXGC-OAQYLSRUSA-N 0 0 404.897 5.148 50 0 HKAARN CCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000027748204 558681708 /nfs/dbraw/zinc/68/17/08/558681708.db2.gz OAZKRHFHFVXJOF-UHFFFAOYSA-N 0 0 418.267 6.416 50 0 HKAARN O=C(COc1ccccc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027749135 558681833 /nfs/dbraw/zinc/68/18/33/558681833.db2.gz CURHCDJFKJNOFF-HXUWFJFHSA-N 0 0 404.897 5.148 50 0 HKAARN O=C(COc1ccccc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027749145 558681847 /nfs/dbraw/zinc/68/18/47/558681847.db2.gz CURHCDJFKJNOFF-FQEVSTJZSA-N 0 0 404.897 5.148 50 0 HKAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(Cl)cc3o2)c2ccccn2)cc1 ZINC000027749682 558681914 /nfs/dbraw/zinc/68/19/14/558681914.db2.gz STMVSEGZFSXMNY-UHFFFAOYSA-N 0 0 418.880 5.305 50 0 HKAARN Cc1cc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(=O)c2cc1Cl ZINC000027750130 558681915 /nfs/dbraw/zinc/68/19/15/558681915.db2.gz VDDPAZCFEQUXJL-UHFFFAOYSA-N 0 0 416.182 5.679 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 ZINC000027753381 558682104 /nfs/dbraw/zinc/68/21/04/558682104.db2.gz LIJOZEBTVWTZPU-UHFFFAOYSA-N 0 0 400.931 5.407 50 0 HKAARN CCc1cc([C@H](c2ccncc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000027755712 569393098 /nfs/dbraw/zinc/39/30/98/569393098.db2.gz QDWZKDRBEXLOQO-QFIPXVFZSA-N 0 0 405.567 5.533 50 0 HKAARN CCc1cc([C@@H](c2ccncc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000027755721 569393107 /nfs/dbraw/zinc/39/31/07/569393107.db2.gz QDWZKDRBEXLOQO-JOCHJYFZSA-N 0 0 405.567 5.533 50 0 HKAARN Cc1cc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2cc1Cl ZINC000027757657 569393206 /nfs/dbraw/zinc/39/32/06/569393206.db2.gz HLEMMMAEQWEXJT-UHFFFAOYSA-N 0 0 413.882 5.252 50 0 HKAARN CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 ZINC000027766605 569393705 /nfs/dbraw/zinc/39/37/05/569393705.db2.gz GPKKIWFIAZGDKD-CYBMUJFWSA-N 0 0 417.966 6.073 50 0 HKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 ZINC000027766612 569393723 /nfs/dbraw/zinc/39/37/23/569393723.db2.gz GPKKIWFIAZGDKD-ZDUSSCGKSA-N 0 0 417.966 6.073 50 0 HKAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCc1cccnc1 ZINC000027767808 558682078 /nfs/dbraw/zinc/68/20/78/558682078.db2.gz RNCLMTGYZGDSKH-UHFFFAOYSA-N 0 0 423.925 5.043 50 0 HKAARN COc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccccc2Cl)cc1 ZINC000027768575 569393765 /nfs/dbraw/zinc/39/37/65/569393765.db2.gz YYADICAVBMCMNK-UHFFFAOYSA-N 0 0 408.914 5.284 50 0 HKAARN CCn1c(SCc2cccnc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000027772813 558682306 /nfs/dbraw/zinc/68/23/06/558682306.db2.gz DPMXFTGCLOMCLS-UHFFFAOYSA-N 0 0 423.545 5.868 50 0 HKAARN COc1ccc(C)cc1-n1c(=O)c2ccc(Cl)cc2nc1SCc1cccnc1 ZINC000027774164 569394062 /nfs/dbraw/zinc/39/40/62/569394062.db2.gz NGWZUOIRVYNSII-UHFFFAOYSA-N 0 0 423.925 5.043 50 0 HKAARN Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nnc2-c2ccccc2)cc1C ZINC000027774950 558682267 /nfs/dbraw/zinc/68/22/67/558682267.db2.gz CWAITFRYDPVRMP-QGZVFWFLSA-N 0 0 419.554 5.911 50 0 HKAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nnc2-c2ccccc2)cc1C ZINC000027774955 558682325 /nfs/dbraw/zinc/68/23/25/558682325.db2.gz CWAITFRYDPVRMP-KRWDZBQOSA-N 0 0 419.554 5.911 50 0 HKAARN Cc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O ZINC000027775083 569394120 /nfs/dbraw/zinc/39/41/20/569394120.db2.gz IHXYPAFRXCWIFP-OAHLLOKOSA-N 0 0 406.511 5.054 50 0 HKAARN Cc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O ZINC000027775089 569394110 /nfs/dbraw/zinc/39/41/10/569394110.db2.gz IHXYPAFRXCWIFP-HNNXBMFYSA-N 0 0 406.511 5.054 50 0 HKAARN Clc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccncc2)cc1Cl ZINC000027776675 558682293 /nfs/dbraw/zinc/68/22/93/558682293.db2.gz RERWMAYSEHCSLB-UHFFFAOYSA-N 0 0 414.321 5.323 50 0 HKAARN CC(C)c1noc([C@@H](C)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777753 569394249 /nfs/dbraw/zinc/39/42/49/569394249.db2.gz UDKAFTVIRHJWQE-CYBMUJFWSA-N 0 0 404.308 5.409 50 0 HKAARN CC(C)c1noc([C@H](C)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000027777756 569394283 /nfs/dbraw/zinc/39/42/83/569394283.db2.gz UDKAFTVIRHJWQE-ZDUSSCGKSA-N 0 0 404.308 5.409 50 0 HKAARN COc1ccc(-c2nnc(SCc3cccnc3)n2C2CCCCC2)cc1OC ZINC000027777864 558682358 /nfs/dbraw/zinc/68/23/58/558682358.db2.gz QISISJYXOWBOTQ-UHFFFAOYSA-N 0 0 410.543 5.155 50 0 HKAARN Cc1ccc(-c2cc(-c3nnc(SCc4cccnc4)n3C)c3ccccc3n2)cc1 ZINC000027778550 558682273 /nfs/dbraw/zinc/68/22/73/558682273.db2.gz CVTYJVWWAOWXJP-UHFFFAOYSA-N 0 0 423.545 5.693 50 0 HKAARN CC(C)c1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000027780111 569395018 /nfs/dbraw/zinc/39/50/18/569395018.db2.gz HPHJRVPZHLUUNI-LLVKDONJSA-N 0 0 400.504 5.857 50 0 HKAARN CC(C)c1noc([C@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000027780114 569395082 /nfs/dbraw/zinc/39/50/82/569395082.db2.gz HPHJRVPZHLUUNI-NSHDSACASA-N 0 0 400.504 5.857 50 0 HKAARN CCCc1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000027780117 558682298 /nfs/dbraw/zinc/68/22/98/558682298.db2.gz PREFJDCOQDYXQB-LLVKDONJSA-N 0 0 400.504 5.686 50 0 HKAARN CCCc1noc([C@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000027780120 558682262 /nfs/dbraw/zinc/68/22/62/558682262.db2.gz PREFJDCOQDYXQB-NSHDSACASA-N 0 0 400.504 5.686 50 0 HKAARN NC(=O)c1ccc(-c2nnc(Nc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1 ZINC000027788786 558682513 /nfs/dbraw/zinc/68/25/13/558682513.db2.gz ZIFCHQXUCAOZCF-UHFFFAOYSA-N 0 0 408.383 5.158 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O ZINC000027792475 558682433 /nfs/dbraw/zinc/68/24/33/558682433.db2.gz AXCFVTGUOAFYFC-INIZCTEOSA-N 0 0 416.352 5.507 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O ZINC000027792477 558682455 /nfs/dbraw/zinc/68/24/55/558682455.db2.gz AXCFVTGUOAFYFC-MRXNPFEDSA-N 0 0 416.352 5.507 50 0 HKAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O ZINC000027792491 558682446 /nfs/dbraw/zinc/68/24/46/558682446.db2.gz KLLAQVPJTSONJQ-INIZCTEOSA-N 0 0 416.352 5.507 50 0 HKAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O ZINC000027792494 558682421 /nfs/dbraw/zinc/68/24/21/558682421.db2.gz KLLAQVPJTSONJQ-MRXNPFEDSA-N 0 0 416.352 5.507 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000027792692 558682406 /nfs/dbraw/zinc/68/24/06/558682406.db2.gz SWMSFVRYIREHDY-IBGZPJMESA-N 0 0 415.924 5.567 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000027792695 558682526 /nfs/dbraw/zinc/68/25/26/558682526.db2.gz SWMSFVRYIREHDY-LJQANCHMSA-N 0 0 415.924 5.567 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000027792724 558682535 /nfs/dbraw/zinc/68/25/35/558682535.db2.gz DUINMNVPLYOODM-QFIPXVFZSA-N 0 0 409.533 5.498 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 ZINC000027792727 558682459 /nfs/dbraw/zinc/68/24/59/558682459.db2.gz DUINMNVPLYOODM-JOCHJYFZSA-N 0 0 409.533 5.498 50 0 HKAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(Cl)cc5s4)no3)ccc2O1 ZINC000027792863 558682475 /nfs/dbraw/zinc/68/24/75/558682475.db2.gz CMYDBUBFVSJOAV-SNVBAGLBSA-N 0 0 411.870 5.180 50 0 HKAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(Cl)cc5s4)no3)ccc2O1 ZINC000027792866 558682484 /nfs/dbraw/zinc/68/24/84/558682484.db2.gz CMYDBUBFVSJOAV-JTQLQIEISA-N 0 0 411.870 5.180 50 0 HKAARN Cc1cc2c(=O)cc(C(=O)N(Cc3cccs3)c3ccccn3)oc2cc1Cl ZINC000027792928 558682402 /nfs/dbraw/zinc/68/24/02/558682402.db2.gz IGHPCQIAHKUJJN-UHFFFAOYSA-N 0 0 410.882 5.058 50 0 HKAARN Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2cc1Cl ZINC000027792942 558682391 /nfs/dbraw/zinc/68/23/91/558682391.db2.gz PUCMSDOYPMIDLC-UHFFFAOYSA-N 0 0 413.882 5.252 50 0 HKAARN O=C(c1cc(=O)c2cc(Cl)cc(Cl)c2o1)N1CCC(Cc2ccccc2)CC1 ZINC000027792948 558682386 /nfs/dbraw/zinc/68/23/86/558682386.db2.gz IAEMWQJSLQBPGJ-UHFFFAOYSA-N 0 0 416.304 5.195 50 0 HKAARN O=C(Nc1ccccc1Br)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 ZINC000027793023 558682491 /nfs/dbraw/zinc/68/24/91/558682491.db2.gz JXQVQKOYTGTRAD-UHFFFAOYSA-N 0 0 413.054 5.115 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 ZINC000027793031 558682436 /nfs/dbraw/zinc/68/24/36/558682436.db2.gz TYQLGHOQFTWSRX-UHFFFAOYSA-N 0 0 402.155 5.371 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1 ZINC000027793341 558682617 /nfs/dbraw/zinc/68/26/17/558682617.db2.gz SDUJGFHITHIZNM-UHFFFAOYSA-N 0 0 408.479 5.237 50 0 HKAARN Cc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(F)cc2)cc1 ZINC000027793490 558682602 /nfs/dbraw/zinc/68/26/02/558682602.db2.gz BAGYXUWZIKOLEX-VWLOTQADSA-N 0 0 402.469 5.242 50 0 HKAARN Cc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(F)cc2)cc1 ZINC000027793493 558682680 /nfs/dbraw/zinc/68/26/80/558682680.db2.gz BAGYXUWZIKOLEX-RUZDIDTESA-N 0 0 402.469 5.242 50 0 HKAARN CCc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027793496 558682692 /nfs/dbraw/zinc/68/26/92/558682692.db2.gz ORJDNTJZVQPTJZ-MHZLTWQESA-N 0 0 412.533 5.666 50 0 HKAARN CCc1ccc(OCC(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027793499 558682721 /nfs/dbraw/zinc/68/27/21/558682721.db2.gz ORJDNTJZVQPTJZ-HHHXNRCGSA-N 0 0 412.533 5.666 50 0 HKAARN CCc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027793584 558682703 /nfs/dbraw/zinc/68/27/03/558682703.db2.gz MFVWHRNUKFHUJA-ZDUSSCGKSA-N 0 0 415.287 5.073 50 0 HKAARN CCc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027793587 558682669 /nfs/dbraw/zinc/68/26/69/558682669.db2.gz MFVWHRNUKFHUJA-CYBMUJFWSA-N 0 0 415.287 5.073 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)CC1 ZINC000027793637 558682674 /nfs/dbraw/zinc/68/26/74/558682674.db2.gz RFZUEHLQDQDUMC-UHFFFAOYSA-N 0 0 403.548 5.157 50 0 HKAARN O=C(COc1ccc(F)cc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027793649 558682628 /nfs/dbraw/zinc/68/26/28/558682628.db2.gz CKEDAZSLOFZIHO-FQEVSTJZSA-N 0 0 422.887 5.288 50 0 HKAARN O=C(COc1ccc(F)cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027793651 558682677 /nfs/dbraw/zinc/68/26/77/558682677.db2.gz CKEDAZSLOFZIHO-HXUWFJFHSA-N 0 0 422.887 5.288 50 0 HKAARN COc1ccc(-c2nsc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000027793883 558682877 /nfs/dbraw/zinc/68/28/77/558682877.db2.gz HSUUNSZVAAMUCC-UHFFFAOYSA-N 0 0 401.900 5.334 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(=O)c2ccc(Br)cc2o1 ZINC000027793918 558682884 /nfs/dbraw/zinc/68/28/84/558682884.db2.gz FSHNZIXLOUKVOP-UHFFFAOYSA-N 0 0 413.054 5.115 50 0 HKAARN COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccn2)cc1 ZINC000027793964 558682919 /nfs/dbraw/zinc/68/29/19/558682919.db2.gz WFZQNPPGILKUIZ-UHFFFAOYSA-N 0 0 408.910 5.805 50 0 HKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027794252 558682800 /nfs/dbraw/zinc/68/28/00/558682800.db2.gz JVEIDPUWRQTCQG-MRXNPFEDSA-N 0 0 419.250 5.039 50 0 HKAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027794255 558682804 /nfs/dbraw/zinc/68/28/04/558682804.db2.gz JVEIDPUWRQTCQG-INIZCTEOSA-N 0 0 419.250 5.039 50 0 HKAARN Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C ZINC000027794257 558682870 /nfs/dbraw/zinc/68/28/70/558682870.db2.gz ZVPCWFZLRLFQKR-CQSZACIVSA-N 0 0 415.287 5.127 50 0 HKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C ZINC000027794260 558682849 /nfs/dbraw/zinc/68/28/49/558682849.db2.gz ZVPCWFZLRLFQKR-AWEZNQCLSA-N 0 0 415.287 5.127 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027794287 558682777 /nfs/dbraw/zinc/68/27/77/558682777.db2.gz JJINYQBPDACCJZ-QFIPXVFZSA-N 0 0 408.501 6.093 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027794290 558682797 /nfs/dbraw/zinc/68/27/97/558682797.db2.gz JJINYQBPDACCJZ-JOCHJYFZSA-N 0 0 408.501 6.093 50 0 HKAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027794301 558682824 /nfs/dbraw/zinc/68/28/24/558682824.db2.gz FSBYTUQMGAZYIR-UHFFFAOYSA-N 0 0 406.441 5.188 50 0 HKAARN CCCSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000027794472 558683106 /nfs/dbraw/zinc/68/31/06/558683106.db2.gz SFGOPMDNAXUHIM-UHFFFAOYSA-N 0 0 406.536 5.508 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027794527 558683091 /nfs/dbraw/zinc/68/30/91/558683091.db2.gz NNVCBTRJUBKBBP-OAQYLSRUSA-N 0 0 410.945 5.660 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027794529 558683026 /nfs/dbraw/zinc/68/30/26/558683026.db2.gz NNVCBTRJUBKBBP-NRFANRHFSA-N 0 0 410.945 5.660 50 0 HKAARN COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027794582 558683103 /nfs/dbraw/zinc/68/31/03/558683103.db2.gz FZRVNDWZACFIMI-JOCHJYFZSA-N 0 0 424.500 5.793 50 0 HKAARN COc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C)c2c[nH]c3ccccc32)cc1 ZINC000027794584 558683033 /nfs/dbraw/zinc/68/30/33/558683033.db2.gz FZRVNDWZACFIMI-QFIPXVFZSA-N 0 0 424.500 5.793 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(=O)c2cc(Br)ccc2o1 ZINC000027794852 558683087 /nfs/dbraw/zinc/68/30/87/558683087.db2.gz MVYMNQALCIZVAP-UHFFFAOYSA-N 0 0 413.054 5.115 50 0 HKAARN O=C(NC[C@H](c1cccs1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000027794975 558683043 /nfs/dbraw/zinc/68/30/43/558683043.db2.gz SGTUMBVWBJLRJG-OAHLLOKOSA-N 0 0 404.988 5.573 50 0 HKAARN O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000027794978 558683054 /nfs/dbraw/zinc/68/30/54/558683054.db2.gz SGTUMBVWBJLRJG-HNNXBMFYSA-N 0 0 404.988 5.573 50 0 HKAARN CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)sc2c1 ZINC000027795138 558683211 /nfs/dbraw/zinc/68/32/11/558683211.db2.gz AMDUWIUEFBVXQU-UHFFFAOYSA-N 0 0 414.870 5.016 50 0 HKAARN O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795274 558683215 /nfs/dbraw/zinc/68/32/15/558683215.db2.gz HEMZBAVPUXGWJT-UHFFFAOYSA-N 0 0 402.302 6.648 50 0 HKAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795282 558683253 /nfs/dbraw/zinc/68/32/53/558683253.db2.gz GNIDRFZXHNBOTE-UHFFFAOYSA-N 0 0 420.690 5.308 50 0 HKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1Cl ZINC000027795290 558683259 /nfs/dbraw/zinc/68/32/59/558683259.db2.gz CRMMBSCBVMOZFY-UHFFFAOYSA-N 0 0 424.711 6.486 50 0 HKAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000027795392 558683212 /nfs/dbraw/zinc/68/32/12/558683212.db2.gz DOMZCEUCTHDERR-UHFFFAOYSA-N 0 0 414.328 5.092 50 0 HKAARN COc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795395 558683228 /nfs/dbraw/zinc/68/32/28/558683228.db2.gz PDFAESAAYUNARB-SANMLTNESA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc(OCC(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795398 558683231 /nfs/dbraw/zinc/68/32/31/558683231.db2.gz PDFAESAAYUNARB-AREMUKBSSA-N 0 0 414.505 5.112 50 0 HKAARN Cc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2C)cc1 ZINC000027795408 558683214 /nfs/dbraw/zinc/68/32/14/558683214.db2.gz FHJHDOOCNILEIL-MHZLTWQESA-N 0 0 412.533 5.720 50 0 HKAARN Cc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2C)cc1 ZINC000027795411 558683233 /nfs/dbraw/zinc/68/32/33/558683233.db2.gz FHJHDOOCNILEIL-HHHXNRCGSA-N 0 0 412.533 5.720 50 0 HKAARN CCCOc1ccc(C(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795420 558683264 /nfs/dbraw/zinc/68/32/64/558683264.db2.gz NKHQFBXHUWNJST-SANMLTNESA-N 0 0 412.533 6.127 50 0 HKAARN CCCOc1ccc(C(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795422 558683195 /nfs/dbraw/zinc/68/31/95/558683195.db2.gz NKHQFBXHUWNJST-AREMUKBSSA-N 0 0 412.533 6.127 50 0 HKAARN Cc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000027795425 558683209 /nfs/dbraw/zinc/68/32/09/558683209.db2.gz DLXYOOZFIQSVAA-MHZLTWQESA-N 0 0 412.533 5.720 50 0 HKAARN Cc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000027795428 558683250 /nfs/dbraw/zinc/68/32/50/558683250.db2.gz DLXYOOZFIQSVAA-HHHXNRCGSA-N 0 0 412.533 5.720 50 0 HKAARN CCCSc1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 ZINC000027795431 558683199 /nfs/dbraw/zinc/68/31/99/558683199.db2.gz HPYAMMVXPVNKMQ-UHFFFAOYSA-N 0 0 402.317 5.147 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000027795474 558683241 /nfs/dbraw/zinc/68/32/41/558683241.db2.gz OPKAHQMPGRKHNS-UHFFFAOYSA-N 0 0 404.293 5.815 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795477 558683217 /nfs/dbraw/zinc/68/32/17/558683217.db2.gz NVMSCHCUFADRNS-UHFFFAOYSA-N 0 0 410.684 5.852 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3ccco3)c3ccc(Cl)cc3)sc2c1 ZINC000027795479 558683261 /nfs/dbraw/zinc/68/32/61/558683261.db2.gz GCBYQUNYINOZNP-UHFFFAOYSA-N 0 0 416.329 6.957 50 0 HKAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccccc2)n1 ZINC000027795521 558683219 /nfs/dbraw/zinc/68/32/19/558683219.db2.gz OIAXNGCYSCTHSK-UHFFFAOYSA-N 0 0 414.328 5.092 50 0 HKAARN Cc1cccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3)n2)c1 ZINC000027795550 558683244 /nfs/dbraw/zinc/68/32/44/558683244.db2.gz IOICOTWQVXUNSU-UHFFFAOYSA-N 0 0 414.328 5.092 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccco2)c2cccc(Cl)c2)cc(C)c1Cl ZINC000027795728 558683332 /nfs/dbraw/zinc/68/33/32/558683332.db2.gz JVDMQPYGACRQER-UHFFFAOYSA-N 0 0 404.293 5.815 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027795763 558683367 /nfs/dbraw/zinc/68/33/67/558683367.db2.gz RBCPOPSFPQTVGT-NRFANRHFSA-N 0 0 412.464 5.924 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027795766 558683386 /nfs/dbraw/zinc/68/33/86/558683386.db2.gz RBCPOPSFPQTVGT-OAQYLSRUSA-N 0 0 412.464 5.924 50 0 HKAARN Clc1ccccc1OCc1nnc(SCc2cccnc2)n1-c1ccccc1 ZINC000027809507 558683402 /nfs/dbraw/zinc/68/34/02/558683402.db2.gz KJWYCCBVBNHOPI-UHFFFAOYSA-N 0 0 408.914 5.187 50 0 HKAARN CCn1c(=O)c2c(nc1SCc1cccnc1)sc(C)c2-c1ccc(F)cc1 ZINC000027812252 558683371 /nfs/dbraw/zinc/68/33/71/558683371.db2.gz WASBHTTYXUVUTQ-UHFFFAOYSA-N 0 0 411.527 5.280 50 0 HKAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1cc2c(c(Cl)c1)OCO2 ZINC000027815692 558683583 /nfs/dbraw/zinc/68/35/83/558683583.db2.gz BGXAKFZMWKBSEJ-MRXNPFEDSA-N 0 0 424.909 5.173 50 0 HKAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1cc2c(c(Cl)c1)OCO2 ZINC000027815698 558683557 /nfs/dbraw/zinc/68/35/57/558683557.db2.gz BGXAKFZMWKBSEJ-INIZCTEOSA-N 0 0 424.909 5.173 50 0 HKAARN O=C(Nc1ccccc1SCc1ccsc1)c1cc2c(c(Cl)c1)OCO2 ZINC000027820960 558683712 /nfs/dbraw/zinc/68/37/12/558683712.db2.gz JDGHIJGZFPOIGH-UHFFFAOYSA-N 0 0 403.912 5.675 50 0 HKAARN Cc1ccc2c(c1)[C@H](Sc1nc3ccccc3o1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000027839313 569398769 /nfs/dbraw/zinc/39/87/69/569398769.db2.gz XCVZLOZNQKINSN-UZUQRXQVSA-N 0 0 414.530 6.409 50 0 HKAARN Cc1ccc2c(c1)[C@H](Sc1nc3ccccc3o1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000027839319 569398715 /nfs/dbraw/zinc/39/87/15/569398715.db2.gz XCVZLOZNQKINSN-GAJHUEQPSA-N 0 0 414.530 6.409 50 0 HKAARN Cc1ccc2c(c1)[C@@H](Sc1nc3ccccc3o1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000027839332 569398697 /nfs/dbraw/zinc/39/86/97/569398697.db2.gz XCVZLOZNQKINSN-SBUREZEXSA-N 0 0 414.530 6.409 50 0 HKAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 ZINC000027913938 568772071 /nfs/dbraw/zinc/77/20/71/568772071.db2.gz NOBYZINQHBVVJK-UHFFFAOYSA-N 0 0 410.495 5.695 50 0 HKAARN O=C(CCCCc1nc2ccccc2s1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027919958 558684717 /nfs/dbraw/zinc/68/47/17/558684717.db2.gz FFXPAHVBBOSHRN-UHFFFAOYSA-N 0 0 421.566 5.274 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000027921945 569414153 /nfs/dbraw/zinc/41/41/53/569414153.db2.gz JXWHDXASBPRAQL-UHFFFAOYSA-N 0 0 415.468 5.732 50 0 HKAARN Cc1nn(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)c(C)c1Br ZINC000027924674 569423296 /nfs/dbraw/zinc/42/32/96/569423296.db2.gz BHTKPBLQMWAJFF-UHFFFAOYSA-N 0 0 422.685 5.296 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3oc4cc(C)cc(C)c4c3C)on2)cc1OC ZINC000027985717 558687310 /nfs/dbraw/zinc/68/73/10/558687310.db2.gz WHBRPAKTQMJBJE-UHFFFAOYSA-N 0 0 406.438 5.283 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3sc4ccccc4c3Cl)on2)cc1OC ZINC000027985737 568775588 /nfs/dbraw/zinc/77/55/88/568775588.db2.gz LTIKSGNLRJPMCK-UHFFFAOYSA-N 0 0 414.870 5.479 50 0 HKAARN COc1ccc(-c2cc(NC(=O)c3oc4ccc(Cl)cc4c3C)on2)cc1OC ZINC000027985763 558687371 /nfs/dbraw/zinc/68/73/71/558687371.db2.gz CIHSTBXRGPIRFT-UHFFFAOYSA-N 0 0 412.829 5.319 50 0 HKAARN CC(C)c1ccc(CC(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)cc1 ZINC000027985990 558687305 /nfs/dbraw/zinc/68/73/05/558687305.db2.gz VJAHAKZGVHBZHP-RMKNXTFCSA-N 0 0 409.580 5.648 50 0 HKAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)C1(C)C ZINC000027987508 568775585 /nfs/dbraw/zinc/77/55/85/568775585.db2.gz GMRLDCPCEVWYMQ-QUCCMNQESA-N 0 0 402.494 5.862 50 0 HKAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)C1(C)C ZINC000027987514 568775649 /nfs/dbraw/zinc/77/56/49/568775649.db2.gz GMRLDCPCEVWYMQ-ICSRJNTNSA-N 0 0 402.494 5.862 50 0 HKAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)C1(C)C ZINC000027987520 568775643 /nfs/dbraw/zinc/77/56/43/568775643.db2.gz GMRLDCPCEVWYMQ-UYAOXDASSA-N 0 0 402.494 5.862 50 0 HKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)C1(C)C ZINC000027987526 568775630 /nfs/dbraw/zinc/77/56/30/568775630.db2.gz GMRLDCPCEVWYMQ-AZUAARDMSA-N 0 0 402.494 5.862 50 0 HKAARN Cc1ccc(N[C@@H](NC(=O)OCc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000027987835 568775679 /nfs/dbraw/zinc/77/56/79/568775679.db2.gz NMOXDOFFZQRTHG-HNNXBMFYSA-N 0 0 422.139 5.683 50 0 HKAARN Cc1ccc(N[C@H](NC(=O)OCc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000027987839 568775661 /nfs/dbraw/zinc/77/56/61/568775661.db2.gz NMOXDOFFZQRTHG-OAHLLOKOSA-N 0 0 422.139 5.683 50 0 HKAARN CCOc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027989046 558687769 /nfs/dbraw/zinc/68/77/69/558687769.db2.gz ONXFUIAZRPGUSS-FQEVSTJZSA-N 0 0 418.924 5.782 50 0 HKAARN CCOc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027989050 558687903 /nfs/dbraw/zinc/68/79/03/558687903.db2.gz ONXFUIAZRPGUSS-HXUWFJFHSA-N 0 0 418.924 5.782 50 0 HKAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027989096 558687802 /nfs/dbraw/zinc/68/78/02/558687802.db2.gz OSPMKIBYYSHGNU-UHFFFAOYSA-N 0 0 424.431 5.327 50 0 HKAARN CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000027989553 558687743 /nfs/dbraw/zinc/68/77/43/558687743.db2.gz UYZVGBITMDTMMZ-UHFFFAOYSA-N 0 0 401.462 5.352 50 0 HKAARN O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000027989638 558687752 /nfs/dbraw/zinc/68/77/52/558687752.db2.gz GLNKQHTWAAEZDP-UHFFFAOYSA-N 0 0 402.302 6.648 50 0 HKAARN COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027989681 558688033 /nfs/dbraw/zinc/68/80/33/558688033.db2.gz WOTSVRANKIPAPP-QGZVFWFLSA-N 0 0 410.901 5.053 50 0 HKAARN COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027989687 558688036 /nfs/dbraw/zinc/68/80/36/558688036.db2.gz WOTSVRANKIPAPP-KRWDZBQOSA-N 0 0 410.901 5.053 50 0 HKAARN COc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027989693 558688013 /nfs/dbraw/zinc/68/80/13/558688013.db2.gz OYWYZVAVUGWCBM-GOSISDBHSA-N 0 0 424.928 5.361 50 0 HKAARN COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027989699 558688105 /nfs/dbraw/zinc/68/81/05/558688105.db2.gz OYWYZVAVUGWCBM-SFHVURJKSA-N 0 0 424.928 5.361 50 0 HKAARN O=C(N(Cc1cccs1)c1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000027989740 558688140 /nfs/dbraw/zinc/68/81/40/558688140.db2.gz FUVIBXHGGCHEKJ-UHFFFAOYSA-N 0 0 419.512 6.517 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000027989959 558688129 /nfs/dbraw/zinc/68/81/29/558688129.db2.gz JPMFHRHXMNFBHJ-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nonc1-c1ccc(Br)cc1 ZINC000027989996 558688122 /nfs/dbraw/zinc/68/81/22/558688122.db2.gz DQAJWBPNHJIKLY-UHFFFAOYSA-N 0 0 412.243 5.114 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c2ccccn2)cc1 ZINC000027990011 558688098 /nfs/dbraw/zinc/68/80/98/558688098.db2.gz DCZQSSNJIVGEBX-UHFFFAOYSA-N 0 0 420.896 5.954 50 0 HKAARN CC(C)(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 ZINC000027990040 558688009 /nfs/dbraw/zinc/68/80/09/558688009.db2.gz PYQSAGOETQKJCJ-UHFFFAOYSA-N 0 0 412.489 5.333 50 0 HKAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 ZINC000027990043 558688151 /nfs/dbraw/zinc/68/81/51/558688151.db2.gz UGMMBPUQPVUSDS-UHFFFAOYSA-N 0 0 416.452 5.298 50 0 HKAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)cc(=O)c2c1 ZINC000027990050 558688149 /nfs/dbraw/zinc/68/81/49/558688149.db2.gz XGTYOJPEPGUGNQ-UHFFFAOYSA-N 0 0 418.880 5.305 50 0 HKAARN CCOc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027990101 558688138 /nfs/dbraw/zinc/68/81/38/558688138.db2.gz DDNQOFQYNVQMGG-QFIPXVFZSA-N 0 0 414.505 5.137 50 0 HKAARN CCOc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027990105 558688029 /nfs/dbraw/zinc/68/80/29/558688029.db2.gz DDNQOFQYNVQMGG-JOCHJYFZSA-N 0 0 414.505 5.137 50 0 HKAARN CCCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000027990132 558688163 /nfs/dbraw/zinc/68/81/63/558688163.db2.gz IWHICUNRTQYAKD-UHFFFAOYSA-N 0 0 405.454 5.531 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 ZINC000027990150 558688108 /nfs/dbraw/zinc/68/81/08/558688108.db2.gz RDVBXMQIMMZYQP-UHFFFAOYSA-N 0 0 409.417 5.217 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000027990175 558688062 /nfs/dbraw/zinc/68/80/62/558688062.db2.gz QOCDTBRBZSGBMY-UHFFFAOYSA-N 0 0 412.558 5.609 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027990233 558688045 /nfs/dbraw/zinc/68/80/45/558688045.db2.gz ZEPPBEAHSUYKTL-MRXNPFEDSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027990237 558688022 /nfs/dbraw/zinc/68/80/22/558688022.db2.gz ZEPPBEAHSUYKTL-INIZCTEOSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000027990277 558688025 /nfs/dbraw/zinc/68/80/25/558688025.db2.gz ZGBIQRHRAGZWTP-UHFFFAOYSA-N 0 0 408.567 5.154 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ncccc1C ZINC000027990361 558688300 /nfs/dbraw/zinc/68/83/00/558688300.db2.gz MQXKQGDFUMTPLN-UHFFFAOYSA-N 0 0 410.926 6.315 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000027990365 558688311 /nfs/dbraw/zinc/68/83/11/558688311.db2.gz FTHJVMVTNUVTRP-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000027990448 558688235 /nfs/dbraw/zinc/68/82/35/558688235.db2.gz PUPVEGLAKMZBSC-GOSISDBHSA-N 0 0 422.594 5.542 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000027990454 558688236 /nfs/dbraw/zinc/68/82/36/558688236.db2.gz PUPVEGLAKMZBSC-SFHVURJKSA-N 0 0 422.594 5.542 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000027990497 558688305 /nfs/dbraw/zinc/68/83/05/558688305.db2.gz PBBHXIYNJSRBGD-IBGZPJMESA-N 0 0 422.594 5.677 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000027990503 558688212 /nfs/dbraw/zinc/68/82/12/558688212.db2.gz PBBHXIYNJSRBGD-LJQANCHMSA-N 0 0 422.594 5.677 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000027990525 558688313 /nfs/dbraw/zinc/68/83/13/558688313.db2.gz CDPNJZYQNUPRAU-UHFFFAOYSA-N 0 0 410.926 5.799 50 0 HKAARN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000027990812 558688214 /nfs/dbraw/zinc/68/82/14/558688214.db2.gz MOIKQAAVBPDRGY-UHFFFAOYSA-N 0 0 415.489 5.526 50 0 HKAARN CCN(C(=O)COc1cccc(C)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027991081 558688276 /nfs/dbraw/zinc/68/82/76/558688276.db2.gz HHBXMDMAVBWJLM-MHZLTWQESA-N 0 0 412.533 5.802 50 0 HKAARN CCN(C(=O)COc1cccc(C)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027991086 558688266 /nfs/dbraw/zinc/68/82/66/558688266.db2.gz HHBXMDMAVBWJLM-HHHXNRCGSA-N 0 0 412.533 5.802 50 0 HKAARN CCN(C(=O)COc1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991143 558688330 /nfs/dbraw/zinc/68/83/30/558688330.db2.gz LQGXLJLESWOCEQ-SANMLTNESA-N 0 0 414.505 5.193 50 0 HKAARN CCN(C(=O)COc1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027991148 558688240 /nfs/dbraw/zinc/68/82/40/558688240.db2.gz LQGXLJLESWOCEQ-AREMUKBSSA-N 0 0 414.505 5.193 50 0 HKAARN CCN(C(=O)COc1ccc(F)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027991238 558688326 /nfs/dbraw/zinc/68/83/26/558688326.db2.gz SBYPVAHQXLEHBZ-SANMLTNESA-N 0 0 416.496 5.632 50 0 HKAARN CCN(C(=O)COc1ccc(F)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027991243 558688322 /nfs/dbraw/zinc/68/83/22/558688322.db2.gz SBYPVAHQXLEHBZ-AREMUKBSSA-N 0 0 416.496 5.632 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000027991899 558688495 /nfs/dbraw/zinc/68/84/95/558688495.db2.gz HHYILYRFUBOBOO-UHFFFAOYSA-N 0 0 424.953 6.107 50 0 HKAARN Cc1c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)oc2cc(C)cc(C)c12 ZINC000027992133 558688503 /nfs/dbraw/zinc/68/85/03/558688503.db2.gz YKBZXPXKGYAYNJ-QFIPXVFZSA-N 0 0 422.528 6.401 50 0 HKAARN Cc1c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)oc2cc(C)cc(C)c12 ZINC000027992138 558688458 /nfs/dbraw/zinc/68/84/58/558688458.db2.gz YKBZXPXKGYAYNJ-JOCHJYFZSA-N 0 0 422.528 6.401 50 0 HKAARN CCOc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027992148 558688465 /nfs/dbraw/zinc/68/84/65/558688465.db2.gz VVVFOTZHKPPRRN-NRFANRHFSA-N 0 0 418.924 5.782 50 0 HKAARN CCOc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000027992152 558688510 /nfs/dbraw/zinc/68/85/10/558688510.db2.gz VVVFOTZHKPPRRN-OAQYLSRUSA-N 0 0 418.924 5.782 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027992230 558688489 /nfs/dbraw/zinc/68/84/89/558688489.db2.gz XQJFHLCHOLVMJK-UHFFFAOYSA-N 0 0 414.958 5.126 50 0 HKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000027992617 558688541 /nfs/dbraw/zinc/68/85/41/558688541.db2.gz FDSDXXUEOAZNLH-UHFFFAOYSA-N 0 0 410.926 5.799 50 0 HKAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)cc(C)c4c3C)n2)cc1OC ZINC000027992712 558688512 /nfs/dbraw/zinc/68/85/12/558688512.db2.gz JABOEMBVHRGUDW-UHFFFAOYSA-N 0 0 423.494 5.146 50 0 HKAARN CCN(C(=O)COc1ccc(C)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993024 558688498 /nfs/dbraw/zinc/68/84/98/558688498.db2.gz CXHYMBGEWVVTFK-MHZLTWQESA-N 0 0 412.533 5.802 50 0 HKAARN CCN(C(=O)COc1ccc(C)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993030 558688559 /nfs/dbraw/zinc/68/85/59/558688559.db2.gz CXHYMBGEWVVTFK-HHHXNRCGSA-N 0 0 412.533 5.802 50 0 HKAARN CCN(C(=O)c1cccc(OC)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993036 558688589 /nfs/dbraw/zinc/68/85/89/558688589.db2.gz NNLVYGSAQRIDLM-VWLOTQADSA-N 0 0 414.505 5.437 50 0 HKAARN CCN(C(=O)c1cccc(OC)c1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993041 558688582 /nfs/dbraw/zinc/68/85/82/558688582.db2.gz NNLVYGSAQRIDLM-RUZDIDTESA-N 0 0 414.505 5.437 50 0 HKAARN CCCSc1ncc(Br)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000027993332 558688562 /nfs/dbraw/zinc/68/85/62/558688562.db2.gz ZBTFELBFAOVMHT-UHFFFAOYSA-N 0 0 411.712 5.112 50 0 HKAARN Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027993350 558688751 /nfs/dbraw/zinc/68/87/51/558688751.db2.gz PMYGNDXMDMAQCY-OAQYLSRUSA-N 0 0 424.972 5.968 50 0 HKAARN Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027993355 558688727 /nfs/dbraw/zinc/68/87/27/558688727.db2.gz PMYGNDXMDMAQCY-NRFANRHFSA-N 0 0 424.972 5.968 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000027993366 558688764 /nfs/dbraw/zinc/68/87/64/558688764.db2.gz NTHBVEZGCOQPON-UHFFFAOYSA-N 0 0 405.519 6.275 50 0 HKAARN Cc1c(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)oc2cc(C)cc(C)c12 ZINC000027993376 558688717 /nfs/dbraw/zinc/68/87/17/558688717.db2.gz KSBRLLYWCWIRBF-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000027993382 558688759 /nfs/dbraw/zinc/68/87/59/558688759.db2.gz GNKKCGMWHJFFHA-HXUWFJFHSA-N 0 0 410.945 5.578 50 0 HKAARN Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000027993387 558688817 /nfs/dbraw/zinc/68/88/17/558688817.db2.gz GNKKCGMWHJFFHA-FQEVSTJZSA-N 0 0 410.945 5.578 50 0 HKAARN Cc1c(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)oc2cc(C)cc(C)c12 ZINC000027993415 558688794 /nfs/dbraw/zinc/68/87/94/558688794.db2.gz RDPFRGYDVUYMIP-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1 ZINC000027993419 558688748 /nfs/dbraw/zinc/68/87/48/558688748.db2.gz NGMUXWLEWPMIBG-UHFFFAOYSA-N 0 0 400.478 5.609 50 0 HKAARN Cc1c(C(=O)N(Cc2cccs2)c2ccccc2Cl)oc2cc(C)cc(C)c12 ZINC000027993446 558688776 /nfs/dbraw/zinc/68/87/76/558688776.db2.gz JRCJOFJPJOSMIE-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc(C)c1Cl ZINC000027993467 558688738 /nfs/dbraw/zinc/68/87/38/558688738.db2.gz ULQHWWSTTBEIGM-MRXNPFEDSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc(C)c1Cl ZINC000027993473 558688779 /nfs/dbraw/zinc/68/87/79/558688779.db2.gz ULQHWWSTTBEIGM-INIZCTEOSA-N 0 0 414.958 5.207 50 0 HKAARN CCCCC1CCC(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000027993774 558688714 /nfs/dbraw/zinc/68/87/14/558688714.db2.gz ZFBLJGUYZIDOCP-UHFFFAOYSA-N 0 0 400.588 5.474 50 0 HKAARN O=C(Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000027994407 558688905 /nfs/dbraw/zinc/68/89/05/558688905.db2.gz GJZRLNFFLRTTIX-UHFFFAOYSA-N 0 0 415.301 6.629 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000027995095 558689125 /nfs/dbraw/zinc/68/91/25/558689125.db2.gz HBZTYGNXEVVSSB-UHFFFAOYSA-N 0 0 423.325 5.120 50 0 HKAARN CC(C)Oc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 ZINC000027995462 558689158 /nfs/dbraw/zinc/68/91/58/558689158.db2.gz GNEWGPYEXXIOFG-UHFFFAOYSA-N 0 0 415.287 5.071 50 0 HKAARN Cc1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 ZINC000027995518 558689197 /nfs/dbraw/zinc/68/91/97/558689197.db2.gz JAAOPZVZQVEVRX-UHFFFAOYSA-N 0 0 405.306 5.603 50 0 HKAARN CC(C)Cc1nc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)no1 ZINC000028006961 568776784 /nfs/dbraw/zinc/77/67/84/568776784.db2.gz SWSVYYVFJBTTJG-UHFFFAOYSA-N 0 0 423.517 5.006 50 0 HKAARN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCc1noc(C(C)(C)C)n1 ZINC000028011283 558689440 /nfs/dbraw/zinc/68/94/40/558689440.db2.gz QATVNLAQPORTMB-UHFFFAOYSA-N 0 0 420.966 5.069 50 0 HKAARN CC(C)(C)c1nc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)no1 ZINC000028012273 558689435 /nfs/dbraw/zinc/68/94/35/558689435.db2.gz OXJFZQXNZSZEMN-UHFFFAOYSA-N 0 0 424.570 5.260 50 0 HKAARN CC(C)(C)c1nc(CSc2ncnc3scc(-c4ccc(F)cc4)c32)no1 ZINC000028012332 558689390 /nfs/dbraw/zinc/68/93/90/558689390.db2.gz ACOLZCOFWMJAEJ-UHFFFAOYSA-N 0 0 400.504 5.470 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000028024161 558689906 /nfs/dbraw/zinc/68/99/06/558689906.db2.gz BOQFWYGIHPNENA-UHFFFAOYSA-N 0 0 423.563 5.466 50 0 HKAARN CC[C@@H](C)c1ccc(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000028048252 568778574 /nfs/dbraw/zinc/77/85/74/568778574.db2.gz MMTUNOBAFRYHAS-GOSISDBHSA-N 0 0 401.510 5.463 50 0 HKAARN CC[C@H](C)c1ccc(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000028048253 568778459 /nfs/dbraw/zinc/77/84/59/568778459.db2.gz MMTUNOBAFRYHAS-SFHVURJKSA-N 0 0 401.510 5.463 50 0 HKAARN CCc1nnc(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3Cl)oc2C)s1 ZINC000028048571 558690424 /nfs/dbraw/zinc/69/04/24/558690424.db2.gz YMWWUEJSIPSGAI-UHFFFAOYSA-N 0 0 415.824 5.593 50 0 HKAARN Cc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(C)cc3)n2)cc1 ZINC000028049283 568778687 /nfs/dbraw/zinc/77/86/87/568778687.db2.gz RWWCTUHPAGGZMA-UHFFFAOYSA-N 0 0 403.530 5.874 50 0 HKAARN O=C(Oc1ccc2cc(Br)ccc2c1)N(c1ccccc1)c1ccccc1 ZINC000028051412 558690430 /nfs/dbraw/zinc/69/04/30/558690430.db2.gz JHOWALJLVGITEN-UHFFFAOYSA-N 0 0 418.290 6.939 50 0 HKAARN Brc1ccc2nc(-c3nc4ccccc4[nH]3)cc(-c3ccccc3)c2c1 ZINC000028051579 558690413 /nfs/dbraw/zinc/69/04/13/558690413.db2.gz RYBAEHTZDLWHPE-UHFFFAOYSA-N 0 0 400.279 6.208 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000028064423 569012803 /nfs/dbraw/zinc/01/28/03/569012803.db2.gz CQFCPAORHJMWGZ-OAQYLSRUSA-N 0 0 401.560 6.536 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)n2)cc1 ZINC000028064428 569012835 /nfs/dbraw/zinc/01/28/35/569012835.db2.gz CQFCPAORHJMWGZ-NRFANRHFSA-N 0 0 401.560 6.536 50 0 HKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000028064457 569012794 /nfs/dbraw/zinc/01/27/94/569012794.db2.gz ICKSOWOOSSDZAJ-OAQYLSRUSA-N 0 0 417.559 6.236 50 0 HKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)n2)cc1 ZINC000028064462 569012840 /nfs/dbraw/zinc/01/28/40/569012840.db2.gz ICKSOWOOSSDZAJ-NRFANRHFSA-N 0 0 417.559 6.236 50 0 HKAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064513 569012852 /nfs/dbraw/zinc/01/28/52/569012852.db2.gz UJQJZJGNMVAMBH-NRFANRHFSA-N 0 0 401.560 6.536 50 0 HKAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064518 569012827 /nfs/dbraw/zinc/01/28/27/569012827.db2.gz UJQJZJGNMVAMBH-OAQYLSRUSA-N 0 0 401.560 6.536 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2)cc1 ZINC000028064523 569012806 /nfs/dbraw/zinc/01/28/06/569012806.db2.gz AELMIOASZLIZIP-QFIPXVFZSA-N 0 0 415.587 6.844 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2)cc1 ZINC000028064527 569012825 /nfs/dbraw/zinc/01/28/25/569012825.db2.gz AELMIOASZLIZIP-JOCHJYFZSA-N 0 0 415.587 6.844 50 0 HKAARN Clc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064697 569012855 /nfs/dbraw/zinc/01/28/55/569012855.db2.gz DHTDFZUEEVVCCL-FQEVSTJZSA-N 0 0 421.978 6.881 50 0 HKAARN Clc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064701 569012836 /nfs/dbraw/zinc/01/28/36/569012836.db2.gz DHTDFZUEEVVCCL-HXUWFJFHSA-N 0 0 421.978 6.881 50 0 HKAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc(F)ccc2s1 ZINC000028064766 558690549 /nfs/dbraw/zinc/69/05/49/558690549.db2.gz SRKXSKCFOBRODJ-UHFFFAOYSA-N 0 0 411.285 5.058 50 0 HKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064954 569026478 /nfs/dbraw/zinc/02/64/78/569026478.db2.gz BSMKGMCBGGOAIX-NRFANRHFSA-N 0 0 417.559 6.236 50 0 HKAARN COc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028064959 569012814 /nfs/dbraw/zinc/01/28/14/569012814.db2.gz BSMKGMCBGGOAIX-OAQYLSRUSA-N 0 0 417.559 6.236 50 0 HKAARN O=C(CN(c1ccccc1)C1=NCCCS1)c1ccc(Oc2ccccc2)cc1 ZINC000028114383 558691221 /nfs/dbraw/zinc/69/12/21/558691221.db2.gz GEINGOMZDNJIMW-UHFFFAOYSA-N 0 0 402.519 5.661 50 0 HKAARN COc1ccc(-n2c(CSc3nccc(C(F)(F)F)n3)nc3ccccc32)cc1 ZINC000028190422 558692070 /nfs/dbraw/zinc/69/20/70/558692070.db2.gz OAVJAOARYVZPAE-UHFFFAOYSA-N 0 0 416.428 5.135 50 0 HKAARN Cc1nc2ccccc2nc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000028190980 568782063 /nfs/dbraw/zinc/78/20/63/568782063.db2.gz WOVUMQGNFINCSQ-UHFFFAOYSA-N 0 0 413.546 5.278 50 0 HKAARN CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2ccccc2o1 ZINC000028211374 558692642 /nfs/dbraw/zinc/69/26/42/558692642.db2.gz WZQZMJLQGYEIDB-DOTOQJQBSA-N 0 0 412.559 5.059 50 0 HKAARN CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2ccccc2o1 ZINC000028211377 558692709 /nfs/dbraw/zinc/69/27/09/558692709.db2.gz WZQZMJLQGYEIDB-RDJZCZTQSA-N 0 0 412.559 5.059 50 0 HKAARN CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2ccccc2o1 ZINC000028211381 558692677 /nfs/dbraw/zinc/69/26/77/558692677.db2.gz WZQZMJLQGYEIDB-NVXWUHKLSA-N 0 0 412.559 5.059 50 0 HKAARN CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2ccccc2o1 ZINC000028211384 558692624 /nfs/dbraw/zinc/69/26/24/558692624.db2.gz WZQZMJLQGYEIDB-WBVHZDCISA-N 0 0 412.559 5.059 50 0 HKAARN COCCn1c(SCc2sc3ccccc3c2Cl)nnc1-c1ccncc1 ZINC000028213269 558692976 /nfs/dbraw/zinc/69/29/76/558692976.db2.gz MQLWNRCKKISQEJ-UHFFFAOYSA-N 0 0 416.959 5.147 50 0 HKAARN CCOc1ccc(-c2nc(-c3cccc(NC(=O)Cc4cccs4)c3)no2)cc1 ZINC000028221862 568782642 /nfs/dbraw/zinc/78/26/42/568782642.db2.gz BAPWFUJCYCFEDK-UHFFFAOYSA-N 0 0 405.479 5.045 50 0 HKAARN Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)o2)c(C)c1Br ZINC000028224928 568782707 /nfs/dbraw/zinc/78/27/07/568782707.db2.gz SUNJIHYOHVJTHW-UHFFFAOYSA-N 0 0 422.710 5.118 50 0 HKAARN COc1cccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c1 ZINC000028224998 568782663 /nfs/dbraw/zinc/78/26/63/568782663.db2.gz UDNKAVFKJFJYMO-UHFFFAOYSA-N 0 0 420.234 5.021 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c(OC)c1 ZINC000028225180 568782710 /nfs/dbraw/zinc/78/27/10/568782710.db2.gz CQQMQVDHMSSBCQ-UHFFFAOYSA-N 0 0 409.482 5.426 50 0 HKAARN O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000028225907 568782733 /nfs/dbraw/zinc/78/27/33/568782733.db2.gz SKGAKGKDICXNKZ-UHFFFAOYSA-N 0 0 412.927 5.598 50 0 HKAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(F)ccc3F)c3ccccc3n2)c1 ZINC000028226408 568782668 /nfs/dbraw/zinc/78/26/68/568782668.db2.gz HXSIHPILSBHZQP-UHFFFAOYSA-N 0 0 420.415 5.450 50 0 HKAARN COc1cccc(OCc2ccc(C(=O)Nc3ccc(C)cc3Br)o2)c1 ZINC000028226611 568782654 /nfs/dbraw/zinc/78/26/54/568782654.db2.gz VQPZRXXEDORVDB-UHFFFAOYSA-N 0 0 416.271 5.190 50 0 HKAARN O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2ccccc2Br)o1 ZINC000028229282 568783092 /nfs/dbraw/zinc/78/30/92/568783092.db2.gz CLAFJKUXLYGRIB-UHFFFAOYSA-N 0 0 422.662 5.232 50 0 HKAARN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2ccccc2Cl)o1 ZINC000028230673 568783105 /nfs/dbraw/zinc/78/31/05/568783105.db2.gz VQJIOPKMEYWFCW-UHFFFAOYSA-N 0 0 407.857 5.009 50 0 HKAARN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2F)o1 ZINC000028231033 568783138 /nfs/dbraw/zinc/78/31/38/568783138.db2.gz NTHHGEHZTMDRMP-UHFFFAOYSA-N 0 0 420.234 5.021 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Br)o1 ZINC000028231457 568783119 /nfs/dbraw/zinc/78/31/19/568783119.db2.gz DPCJTQICJNBMCT-UHFFFAOYSA-N 0 0 416.271 5.190 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000028231947 558693341 /nfs/dbraw/zinc/69/33/41/558693341.db2.gz LXBWLRKSVLXINV-UHFFFAOYSA-N 0 0 414.255 5.532 50 0 HKAARN COc1ccc([C@@H]2SCCN2C(=O)Nc2cc(C)ccc2C)cc1Br ZINC000028232330 568783098 /nfs/dbraw/zinc/78/30/98/568783098.db2.gz HOTDDAVHNGIXHJ-SFHVURJKSA-N 0 0 421.360 5.354 50 0 HKAARN COc1ccc([C@H]2SCCN2C(=O)Nc2cc(C)ccc2C)cc1Br ZINC000028232335 568783163 /nfs/dbraw/zinc/78/31/63/568783163.db2.gz HOTDDAVHNGIXHJ-GOSISDBHSA-N 0 0 421.360 5.354 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)COc2cc(Cl)ccc2Cl)n1 ZINC000028232786 568783306 /nfs/dbraw/zinc/78/33/06/568783306.db2.gz YRSGAALWTCIPIX-UHFFFAOYSA-N 0 0 409.294 5.143 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000028242436 558693512 /nfs/dbraw/zinc/69/35/12/558693512.db2.gz CUMXMOMGJBVDJG-UHFFFAOYSA-N 0 0 418.956 5.604 50 0 HKAARN CCc1ccc(N(C(=O)Cc2noc3ccccc32)c2nc3ccccc3s2)cc1 ZINC000028242745 558693527 /nfs/dbraw/zinc/69/35/27/558693527.db2.gz PNETYCFSSVZEKC-UHFFFAOYSA-N 0 0 413.502 5.907 50 0 HKAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 ZINC000028250823 568783528 /nfs/dbraw/zinc/78/35/28/568783528.db2.gz QUDPLHPCHTZZKU-UHFFFAOYSA-N 0 0 416.344 5.011 50 0 HKAARN Cc1nc(CCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cs1 ZINC000028251601 568783597 /nfs/dbraw/zinc/78/35/97/568783597.db2.gz ZDSYBGNBFRPIPY-UHFFFAOYSA-N 0 0 405.759 5.599 50 0 HKAARN COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000028251641 558693748 /nfs/dbraw/zinc/69/37/48/558693748.db2.gz BKWLLYRKYMKKML-UHFFFAOYSA-N 0 0 407.322 5.098 50 0 HKAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3sccc3C)no2)cc1 ZINC000028251694 558693787 /nfs/dbraw/zinc/69/37/87/558693787.db2.gz QNGGAMVVFZJKNW-UHFFFAOYSA-N 0 0 408.479 5.156 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)c2ccccn2)cc1OC ZINC000028251737 558693820 /nfs/dbraw/zinc/69/38/20/558693820.db2.gz OQXQJPOTTVPAES-UHFFFAOYSA-N 0 0 420.440 5.140 50 0 HKAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000028269340 558694068 /nfs/dbraw/zinc/69/40/68/558694068.db2.gz ZONWHMLRFVXBBN-UHFFFAOYSA-N 0 0 418.562 5.120 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000028271313 558693989 /nfs/dbraw/zinc/69/39/89/558693989.db2.gz HCCKVZSGNDCTOK-UHFFFAOYSA-N 0 0 410.901 5.670 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 ZINC000028272689 568783825 /nfs/dbraw/zinc/78/38/25/568783825.db2.gz MUBLCUBZZAAYPI-UHFFFAOYSA-N 0 0 401.491 5.082 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1 ZINC000028286852 558694232 /nfs/dbraw/zinc/69/42/32/558694232.db2.gz MOIMSQVRMLDUDS-JOCHJYFZSA-N 0 0 423.944 5.260 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1 ZINC000028286854 558694211 /nfs/dbraw/zinc/69/42/11/558694211.db2.gz MOIMSQVRMLDUDS-QFIPXVFZSA-N 0 0 423.944 5.260 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000028286888 558694447 /nfs/dbraw/zinc/69/44/47/558694447.db2.gz NDFZMLUHLARXIC-UHFFFAOYSA-N 0 0 415.218 5.550 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)c1ccccn1 ZINC000028286890 558694376 /nfs/dbraw/zinc/69/43/76/558694376.db2.gz AOOOUYVFSQMYOP-UHFFFAOYSA-N 0 0 402.469 6.246 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000028286914 558694383 /nfs/dbraw/zinc/69/43/83/558694383.db2.gz OZSSYMYAVAXBHV-UHFFFAOYSA-N 0 0 405.454 5.448 50 0 HKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1C ZINC000028286939 558694371 /nfs/dbraw/zinc/69/43/71/558694371.db2.gz RLEGGCGWPIBDCX-UHFFFAOYSA-N 0 0 405.454 5.367 50 0 HKAARN CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000028286958 558694391 /nfs/dbraw/zinc/69/43/91/558694391.db2.gz SMHFRRROOLMXGB-UHFFFAOYSA-N 0 0 416.477 5.348 50 0 HKAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(Cl)cc3)no2)cc1 ZINC000028286962 558694445 /nfs/dbraw/zinc/69/44/45/558694445.db2.gz UVQGINGWYOXBGD-UHFFFAOYSA-N 0 0 422.868 5.439 50 0 HKAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4C(=O)c4ccccc4)no3)ccc2O1 ZINC000028286985 558694459 /nfs/dbraw/zinc/69/44/59/558694459.db2.gz NEIAZQUQOKLUNM-MRXNPFEDSA-N 0 0 424.456 5.148 50 0 HKAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4C(=O)c4ccccc4)no3)ccc2O1 ZINC000028286987 558694398 /nfs/dbraw/zinc/69/43/98/558694398.db2.gz NEIAZQUQOKLUNM-INIZCTEOSA-N 0 0 424.456 5.148 50 0 HKAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)no3)ccc2O1 ZINC000028287006 558694400 /nfs/dbraw/zinc/69/44/00/558694400.db2.gz QYLBKIUIYCYSJB-SNVBAGLBSA-N 0 0 422.790 5.590 50 0 HKAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)no3)ccc2O1 ZINC000028287008 558694453 /nfs/dbraw/zinc/69/44/53/558694453.db2.gz QYLBKIUIYCYSJB-JTQLQIEISA-N 0 0 422.790 5.590 50 0 HKAARN COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)c(C)cc3c2C)cc1 ZINC000028287040 558694427 /nfs/dbraw/zinc/69/44/27/558694427.db2.gz ZXWADZZWLAOWBQ-UHFFFAOYSA-N 0 0 405.519 6.275 50 0 HKAARN c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCc5ccccc5C4)c3o2)cc1 ZINC000028287182 558694484 /nfs/dbraw/zinc/69/44/84/558694484.db2.gz AEELOICPKAJNFB-UHFFFAOYSA-N 0 0 404.473 5.515 50 0 HKAARN Clc1ccccc1CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21 ZINC000028287190 558694479 /nfs/dbraw/zinc/69/44/79/558694479.db2.gz ARKSYJVKUZGNHA-UHFFFAOYSA-N 0 0 412.880 6.217 50 0 HKAARN CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(C(F)(F)F)c2)cc1 ZINC000028287225 558694430 /nfs/dbraw/zinc/69/44/30/558694430.db2.gz RBBWSFKZMFSRJA-UHFFFAOYSA-N 0 0 405.441 6.013 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000028287286 558694753 /nfs/dbraw/zinc/69/47/53/558694753.db2.gz GOPCPJZEQDMBPY-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000028287292 558694742 /nfs/dbraw/zinc/69/47/42/558694742.db2.gz LAHDUIHCKDDKGI-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000028287295 558694730 /nfs/dbraw/zinc/69/47/30/558694730.db2.gz YUTGEFVFTANCLZ-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)c2ccccn2)cc1 ZINC000028287312 558694725 /nfs/dbraw/zinc/69/47/25/558694725.db2.gz MGERKFSSKASEFL-UHFFFAOYSA-N 0 0 400.478 5.609 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccccc1Cl ZINC000028287319 558694786 /nfs/dbraw/zinc/69/47/86/558694786.db2.gz VQHXYHKGSLONFS-UHFFFAOYSA-N 0 0 409.938 6.920 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000028287365 558694710 /nfs/dbraw/zinc/69/47/10/558694710.db2.gz FNVLXDOHSKEYMC-OAQYLSRUSA-N 0 0 410.945 5.578 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000028287368 558694655 /nfs/dbraw/zinc/69/46/55/558694655.db2.gz FNVLXDOHSKEYMC-NRFANRHFSA-N 0 0 410.945 5.578 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)sc2c1 ZINC000028287534 558694647 /nfs/dbraw/zinc/69/46/47/558694647.db2.gz XEZNTQNNOULZOV-INIZCTEOSA-N 0 0 407.366 5.549 50 0 HKAARN Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)sc2c1 ZINC000028287537 558694693 /nfs/dbraw/zinc/69/46/93/558694693.db2.gz XEZNTQNNOULZOV-MRXNPFEDSA-N 0 0 407.366 5.549 50 0 HKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)c2ccccc2Cl)cc1 ZINC000028287744 558694959 /nfs/dbraw/zinc/69/49/59/558694959.db2.gz IQMJMJDNMPSIQE-HSZRJFAPSA-N 0 0 404.897 5.692 50 0 HKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)c2ccccc2Cl)cc1 ZINC000028287748 558694877 /nfs/dbraw/zinc/69/48/77/558694877.db2.gz IQMJMJDNMPSIQE-QHCPKHFHSA-N 0 0 404.897 5.692 50 0 HKAARN Cc1c(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)oc2cc(C)cc(C)c12 ZINC000028287785 558694881 /nfs/dbraw/zinc/69/48/81/558694881.db2.gz VQZAEVJQHAQUSM-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)oc2cc(C)cc(C)c12 ZINC000028287790 558694905 /nfs/dbraw/zinc/69/49/05/558694905.db2.gz VAZYDPHRYPDONE-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1OC ZINC000028287851 558694931 /nfs/dbraw/zinc/69/49/31/558694931.db2.gz PVRZDTWDOBPXHS-UHFFFAOYSA-N 0 0 416.477 5.309 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028287913 558694866 /nfs/dbraw/zinc/69/48/66/558694866.db2.gz IUEIRYBRVJSDEK-QHCPKHFHSA-N 0 0 422.528 6.401 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028287916 558694919 /nfs/dbraw/zinc/69/49/19/558694919.db2.gz IUEIRYBRVJSDEK-HSZRJFAPSA-N 0 0 422.528 6.401 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000028287945 558694977 /nfs/dbraw/zinc/69/49/77/558694977.db2.gz IVQNQZABCCSIFC-JOCHJYFZSA-N 0 0 424.972 5.968 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000028287947 558694938 /nfs/dbraw/zinc/69/49/38/558694938.db2.gz IVQNQZABCCSIFC-QFIPXVFZSA-N 0 0 424.972 5.968 50 0 HKAARN CCCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028287967 558695164 /nfs/dbraw/zinc/69/51/64/558695164.db2.gz LVAWAUHJHLNEBZ-UHFFFAOYSA-N 0 0 400.931 5.225 50 0 HKAARN CC(C)c1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028287994 558695166 /nfs/dbraw/zinc/69/51/66/558695166.db2.gz ZOZCNGHGSIPKIQ-UHFFFAOYSA-N 0 0 414.958 5.325 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000028288004 558695134 /nfs/dbraw/zinc/69/51/34/558695134.db2.gz YOYYZUOWJZTBHZ-MRXNPFEDSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000028288007 558695193 /nfs/dbraw/zinc/69/51/93/558695193.db2.gz YOYYZUOWJZTBHZ-INIZCTEOSA-N 0 0 414.958 5.207 50 0 HKAARN CCCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288010 558695149 /nfs/dbraw/zinc/69/51/49/558695149.db2.gz RUZZGCBJLBCXTN-UHFFFAOYSA-N 0 0 414.958 5.615 50 0 HKAARN CCCCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288017 558695138 /nfs/dbraw/zinc/69/51/38/558695138.db2.gz QKNUITHESKBDTC-UHFFFAOYSA-N 0 0 414.958 5.615 50 0 HKAARN Cc1cccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C ZINC000028288033 558695171 /nfs/dbraw/zinc/69/51/71/558695171.db2.gz NUSZYEOHJVVRNC-MRXNPFEDSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1cccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C ZINC000028288036 558695131 /nfs/dbraw/zinc/69/51/31/558695131.db2.gz NUSZYEOHJVVRNC-INIZCTEOSA-N 0 0 414.958 5.207 50 0 HKAARN CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028288045 558695200 /nfs/dbraw/zinc/69/52/00/558695200.db2.gz BZMPNGVYGQGZIG-HNNXBMFYSA-N 0 0 414.958 5.152 50 0 HKAARN CCc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028288049 558695104 /nfs/dbraw/zinc/69/51/04/558695104.db2.gz BZMPNGVYGQGZIG-OAHLLOKOSA-N 0 0 414.958 5.152 50 0 HKAARN COc1cc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc(OC)c1OC ZINC000028288067 558695212 /nfs/dbraw/zinc/69/52/12/558695212.db2.gz HEGFCSISQACIEY-UHFFFAOYSA-N 0 0 417.914 5.274 50 0 HKAARN O=C(c1ccco1)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccn1 ZINC000028288271 558695343 /nfs/dbraw/zinc/69/53/43/558695343.db2.gz JTSXGMZBFGIUPG-UHFFFAOYSA-N 0 0 418.880 5.754 50 0 HKAARN CC(C)COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028288389 558695376 /nfs/dbraw/zinc/69/53/76/558695376.db2.gz HZEFOZHJGQVKOW-UHFFFAOYSA-N 0 0 414.958 5.471 50 0 HKAARN O=C(Cc1cccc2ccccc21)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288391 558695400 /nfs/dbraw/zinc/69/54/00/558695400.db2.gz PIKVJEZBHXMFJC-UHFFFAOYSA-N 0 0 406.938 5.518 50 0 HKAARN CCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288519 558695407 /nfs/dbraw/zinc/69/54/07/558695407.db2.gz VSEDOBLBXSZBCX-UHFFFAOYSA-N 0 0 400.931 5.225 50 0 HKAARN Cc1c(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)oc2cc(C)cc(C)c12 ZINC000028288522 558695385 /nfs/dbraw/zinc/69/53/85/558695385.db2.gz NVQTUEIGAMMTJL-UHFFFAOYSA-N 0 0 424.953 6.107 50 0 HKAARN CCCCC1CCC(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000028288538 558695366 /nfs/dbraw/zinc/69/53/66/558695366.db2.gz WHDBKJBNZPPFCQ-UHFFFAOYSA-N 0 0 405.007 6.119 50 0 HKAARN Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288548 558695387 /nfs/dbraw/zinc/69/53/87/558695387.db2.gz AGGAOSLPXBGHFX-MRXNPFEDSA-N 0 0 414.958 5.207 50 0 HKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028288551 558695412 /nfs/dbraw/zinc/69/54/12/558695412.db2.gz AGGAOSLPXBGHFX-INIZCTEOSA-N 0 0 414.958 5.207 50 0 HKAARN COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(C)cc4c3C)cs2)cc1 ZINC000028288564 558695519 /nfs/dbraw/zinc/69/55/19/558695519.db2.gz SWFPNZLTUYJISV-UHFFFAOYSA-N 0 0 420.534 5.463 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288567 558695582 /nfs/dbraw/zinc/69/55/82/558695582.db2.gz KVVFZROGHOOSGW-UHFFFAOYSA-N 0 0 424.953 6.107 50 0 HKAARN CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028288570 558695570 /nfs/dbraw/zinc/69/55/70/558695570.db2.gz MWZZMHURZFONGX-UHFFFAOYSA-N 0 0 400.931 5.225 50 0 HKAARN COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)cc(C)c4c3C)cs2)cc1 ZINC000028288580 558695530 /nfs/dbraw/zinc/69/55/30/558695530.db2.gz PBJSSYKHDCWUFI-UHFFFAOYSA-N 0 0 420.534 5.463 50 0 HKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2C)cc1 ZINC000028288725 558695589 /nfs/dbraw/zinc/69/55/89/558695589.db2.gz PWPDIWPYHVXCOS-AREMUKBSSA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2C)cc1 ZINC000028288727 558695558 /nfs/dbraw/zinc/69/55/58/558695558.db2.gz PWPDIWPYHVXCOS-SANMLTNESA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)c2ccccc2OC)cc1 ZINC000028288729 558695486 /nfs/dbraw/zinc/69/54/86/558695486.db2.gz SJFXYLRHOSPBHL-XMMPIXPASA-N 0 0 400.478 5.047 50 0 HKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)c2ccccc2OC)cc1 ZINC000028288731 558695555 /nfs/dbraw/zinc/69/55/55/558695555.db2.gz SJFXYLRHOSPBHL-DEOSSOPVSA-N 0 0 400.478 5.047 50 0 HKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)cc2)cc1 ZINC000028288740 558695547 /nfs/dbraw/zinc/69/55/47/558695547.db2.gz RMPRHQBFDTZBCI-AREMUKBSSA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(C)cc2)cc1 ZINC000028288742 558695810 /nfs/dbraw/zinc/69/58/10/558695810.db2.gz RMPRHQBFDTZBCI-SANMLTNESA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2)cc1 ZINC000028288744 558695817 /nfs/dbraw/zinc/69/58/17/558695817.db2.gz NOGRAFJMUXMYIA-AREMUKBSSA-N 0 0 414.505 5.112 50 0 HKAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2cccc(C)c2)cc1 ZINC000028288746 558695813 /nfs/dbraw/zinc/69/58/13/558695813.db2.gz NOGRAFJMUXMYIA-SANMLTNESA-N 0 0 414.505 5.112 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000028288803 558695821 /nfs/dbraw/zinc/69/58/21/558695821.db2.gz MBDOMDJGKHSGOS-UHFFFAOYSA-N 0 0 408.567 5.288 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl ZINC000028289142 558696088 /nfs/dbraw/zinc/69/60/88/558696088.db2.gz XWJYHVKJFUYXQW-UHFFFAOYSA-N 0 0 419.283 5.448 50 0 HKAARN O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000028289160 558696026 /nfs/dbraw/zinc/69/60/26/558696026.db2.gz AAUYCIMAGRMEHR-UHFFFAOYSA-N 0 0 400.503 5.569 50 0 HKAARN CCc1ccc(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 ZINC000028289334 558696083 /nfs/dbraw/zinc/69/60/83/558696083.db2.gz VOFACUAPNFDOIT-UHFFFAOYSA-N 0 0 419.333 5.857 50 0 HKAARN CCc1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 ZINC000028289371 558695988 /nfs/dbraw/zinc/69/59/88/558695988.db2.gz CJJQUIBLODBHJY-UHFFFAOYSA-N 0 0 419.333 5.857 50 0 HKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000028289451 558696029 /nfs/dbraw/zinc/69/60/29/558696029.db2.gz XAJBUADQZXXJGW-UHFFFAOYSA-N 0 0 404.535 5.762 50 0 HKAARN O=C(COc1ccc(Cl)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289590 558696196 /nfs/dbraw/zinc/69/61/96/558696196.db2.gz MUVKTHYRLFYOIT-UHFFFAOYSA-N 0 0 405.256 5.140 50 0 HKAARN O=C(c1ccccc1Br)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289616 558696230 /nfs/dbraw/zinc/69/62/30/558696230.db2.gz DWWMOPDMCXPHRL-UHFFFAOYSA-N 0 0 419.681 5.484 50 0 HKAARN O=C(c1ccc(Br)o1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289627 558696247 /nfs/dbraw/zinc/69/62/47/558696247.db2.gz SFUDBDNVOSTVRQ-UHFFFAOYSA-N 0 0 409.642 5.077 50 0 HKAARN O=C(COc1ccccc1Cl)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289651 558696205 /nfs/dbraw/zinc/69/62/05/558696205.db2.gz GDCRUNLKWVCZNR-UHFFFAOYSA-N 0 0 405.256 5.140 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000028289698 558696271 /nfs/dbraw/zinc/69/62/71/558696271.db2.gz HWCYDKVIXOFIDR-OAQYLSRUSA-N 0 0 410.945 5.660 50 0 HKAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000028289701 558696186 /nfs/dbraw/zinc/69/61/86/558696186.db2.gz HWCYDKVIXOFIDR-NRFANRHFSA-N 0 0 410.945 5.660 50 0 HKAARN O=C(c1ccc(Br)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289840 558696459 /nfs/dbraw/zinc/69/64/59/558696459.db2.gz BUUSSXSZNIGQFI-UHFFFAOYSA-N 0 0 419.681 5.484 50 0 HKAARN CCc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000028290451 558696699 /nfs/dbraw/zinc/69/66/99/558696699.db2.gz RKPKDXMOMBPSRS-UHFFFAOYSA-N 0 0 402.878 5.343 50 0 HKAARN CCc1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000028290469 558696726 /nfs/dbraw/zinc/69/67/26/558696726.db2.gz DXHWGGDUCSJDBY-UHFFFAOYSA-N 0 0 402.878 5.343 50 0 HKAARN Cc1ccc(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 ZINC000028290480 558696705 /nfs/dbraw/zinc/69/67/05/558696705.db2.gz ABUDVQFDRSHVHA-UHFFFAOYSA-N 0 0 405.306 5.603 50 0 HKAARN CCCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000028290791 558697143 /nfs/dbraw/zinc/69/71/43/558697143.db2.gz RSVNCAQRFQSCJR-MRXNPFEDSA-N 0 0 412.917 5.700 50 0 HKAARN CCCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000028290793 558697072 /nfs/dbraw/zinc/69/70/72/558697072.db2.gz RSVNCAQRFQSCJR-INIZCTEOSA-N 0 0 412.917 5.700 50 0 HKAARN CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290799 558697139 /nfs/dbraw/zinc/69/71/39/558697139.db2.gz LPCMKFXSFSSWIW-LJQANCHMSA-N 0 0 416.855 5.404 50 0 HKAARN CC[C@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290801 558697091 /nfs/dbraw/zinc/69/70/91/558697091.db2.gz LPCMKFXSFSSWIW-IBGZPJMESA-N 0 0 416.855 5.404 50 0 HKAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028290803 558697098 /nfs/dbraw/zinc/69/70/98/558697098.db2.gz GAKQJSHXSCURGM-UHFFFAOYSA-N 0 0 408.929 5.645 50 0 HKAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290805 558697079 /nfs/dbraw/zinc/69/70/79/558697079.db2.gz KVPJEYHTYLJUIA-HXUWFJFHSA-N 0 0 416.855 5.404 50 0 HKAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290808 558697164 /nfs/dbraw/zinc/69/71/64/558697164.db2.gz KVPJEYHTYLJUIA-FQEVSTJZSA-N 0 0 416.855 5.404 50 0 HKAARN CCc1ccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028290812 558697135 /nfs/dbraw/zinc/69/71/35/558697135.db2.gz YTKJUEMWFSUDPE-INIZCTEOSA-N 0 0 412.892 5.437 50 0 HKAARN CCc1ccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028290813 558697073 /nfs/dbraw/zinc/69/70/73/558697073.db2.gz YTKJUEMWFSUDPE-MRXNPFEDSA-N 0 0 412.892 5.437 50 0 HKAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290837 558697146 /nfs/dbraw/zinc/69/71/46/558697146.db2.gz IMNTWSDXERUSGY-CQSZACIVSA-N 0 0 402.828 5.014 50 0 HKAARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290840 558697087 /nfs/dbraw/zinc/69/70/87/558697087.db2.gz IMNTWSDXERUSGY-AWEZNQCLSA-N 0 0 402.828 5.014 50 0 HKAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 ZINC000028290842 558697069 /nfs/dbraw/zinc/69/70/69/558697069.db2.gz BKLLHZIJOSBYQS-QGZVFWFLSA-N 0 0 412.892 5.492 50 0 HKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 ZINC000028290844 558697173 /nfs/dbraw/zinc/69/71/73/558697173.db2.gz BKLLHZIJOSBYQS-KRWDZBQOSA-N 0 0 412.892 5.492 50 0 HKAARN O=C(c1ccc(Br)cc1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028290854 558697155 /nfs/dbraw/zinc/69/71/55/558697155.db2.gz DXZAIXBRUHFOLZ-UHFFFAOYSA-N 0 0 401.691 5.345 50 0 HKAARN O=C(Sc1ccccc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000028290888 558697071 /nfs/dbraw/zinc/69/70/71/558697071.db2.gz AITQKELOLQSDCY-UHFFFAOYSA-N 0 0 407.347 6.008 50 0 HKAARN O=C(Sc1ccccc1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000028290891 558697131 /nfs/dbraw/zinc/69/71/31/558697131.db2.gz SYFWOLVLKBXWHY-UHFFFAOYSA-N 0 0 407.347 6.008 50 0 HKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Oc3ccccc3Cl)n2)c1 ZINC000028290911 558697162 /nfs/dbraw/zinc/69/71/62/558697162.db2.gz CLXYNVHNWQZCBY-UHFFFAOYSA-N 0 0 405.306 5.603 50 0 HKAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1C ZINC000028291089 558697308 /nfs/dbraw/zinc/69/73/08/558697308.db2.gz QJTQHFFDGOHOHP-QGZVFWFLSA-N 0 0 412.892 5.492 50 0 HKAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1C ZINC000028291091 558697410 /nfs/dbraw/zinc/69/74/10/558697410.db2.gz QJTQHFFDGOHOHP-KRWDZBQOSA-N 0 0 412.892 5.492 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1C ZINC000028291094 558697353 /nfs/dbraw/zinc/69/73/53/558697353.db2.gz VLGUVPOTNLJEPY-QGZVFWFLSA-N 0 0 412.892 5.492 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1C ZINC000028291096 558697382 /nfs/dbraw/zinc/69/73/82/558697382.db2.gz VLGUVPOTNLJEPY-KRWDZBQOSA-N 0 0 412.892 5.492 50 0 HKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl ZINC000028291107 558697343 /nfs/dbraw/zinc/69/73/43/558697343.db2.gz XEONKDTYBWESTM-MRXNPFEDSA-N 0 0 415.320 5.698 50 0 HKAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl ZINC000028291109 558697417 /nfs/dbraw/zinc/69/74/17/558697417.db2.gz XEONKDTYBWESTM-INIZCTEOSA-N 0 0 415.320 5.698 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028291118 558697392 /nfs/dbraw/zinc/69/73/92/558697392.db2.gz DQJPOKPJMDMVMB-OAHLLOKOSA-N 0 0 401.293 5.389 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028291121 558697317 /nfs/dbraw/zinc/69/73/17/558697317.db2.gz DQJPOKPJMDMVMB-HNNXBMFYSA-N 0 0 401.293 5.389 50 0 HKAARN C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028291123 558697395 /nfs/dbraw/zinc/69/73/95/558697395.db2.gz BTRNZOWHUQKECY-CQSZACIVSA-N 0 0 419.283 5.528 50 0 HKAARN C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028291126 558697374 /nfs/dbraw/zinc/69/73/74/558697374.db2.gz BTRNZOWHUQKECY-AWEZNQCLSA-N 0 0 419.283 5.528 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl ZINC000028291364 558697640 /nfs/dbraw/zinc/69/76/40/558697640.db2.gz QRNBTBFDXZMKIR-UHFFFAOYSA-N 0 0 401.293 5.309 50 0 HKAARN Cc1cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc(C)c1Cl ZINC000028291367 558697599 /nfs/dbraw/zinc/69/75/99/558697599.db2.gz ZXSFZMMPUHIDAX-UHFFFAOYSA-N 0 0 415.320 5.617 50 0 HKAARN O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028291458 558697577 /nfs/dbraw/zinc/69/75/77/558697577.db2.gz QTJSRTGALKLKRQ-UHFFFAOYSA-N 0 0 405.256 5.140 50 0 HKAARN O=C(c1ccc(Br)o1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292126 558697783 /nfs/dbraw/zinc/69/77/83/558697783.db2.gz VGBDALUUJCKWNQ-UHFFFAOYSA-N 0 0 409.642 5.077 50 0 HKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292127 558697870 /nfs/dbraw/zinc/69/78/70/558697870.db2.gz FBUYKFHKSKZLIF-UHFFFAOYSA-N 0 0 405.256 5.140 50 0 HKAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292502 558698121 /nfs/dbraw/zinc/69/81/21/558698121.db2.gz VHTGDJDKLGPHHH-CQSZACIVSA-N 0 0 402.828 5.014 50 0 HKAARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292504 558698145 /nfs/dbraw/zinc/69/81/45/558698145.db2.gz VHTGDJDKLGPHHH-AWEZNQCLSA-N 0 0 402.828 5.014 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc1OC ZINC000028292615 558698099 /nfs/dbraw/zinc/69/80/99/558698099.db2.gz XTQSRDQTOBJJLH-UHFFFAOYSA-N 0 0 416.477 5.309 50 0 HKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000028292724 558698332 /nfs/dbraw/zinc/69/83/32/558698332.db2.gz YHSVPWLCMQVBBC-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000028292726 558698340 /nfs/dbraw/zinc/69/83/40/558698340.db2.gz ZFMCHUXHSSNAMI-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3c(cc(C)cc3C)c2C)c2ccccn2)cc1 ZINC000028292732 558698302 /nfs/dbraw/zinc/69/83/02/558698302.db2.gz QVYIXBVTPHGCIU-UHFFFAOYSA-N 0 0 400.478 5.609 50 0 HKAARN Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)cc1 ZINC000028292886 558698264 /nfs/dbraw/zinc/69/82/64/558698264.db2.gz ZFWSOBIGAIKBDO-UHFFFAOYSA-N 0 0 412.493 5.026 50 0 HKAARN O=C(c1cccs1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 ZINC000028292977 558698329 /nfs/dbraw/zinc/69/83/29/558698329.db2.gz VRJXPYVYFZOBNC-UHFFFAOYSA-N 0 0 418.493 5.708 50 0 HKAARN O=C(c1ccco1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 ZINC000028292979 558698295 /nfs/dbraw/zinc/69/82/95/558698295.db2.gz XLARZDDJOMXSFC-UHFFFAOYSA-N 0 0 402.425 5.240 50 0 HKAARN O=C(c1ccccc1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 ZINC000028292991 558698346 /nfs/dbraw/zinc/69/83/46/558698346.db2.gz AFKOMVNZWAAMOM-UHFFFAOYSA-N 0 0 412.464 5.647 50 0 HKAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 ZINC000028293486 558698542 /nfs/dbraw/zinc/69/85/42/558698542.db2.gz LRTOVGQRKIKGOY-UHFFFAOYSA-N 0 0 408.929 5.779 50 0 HKAARN O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2F)cc1)c1ccccn1 ZINC000028293494 558698593 /nfs/dbraw/zinc/69/85/93/558698593.db2.gz YSDNLRURVJORAM-UHFFFAOYSA-N 0 0 418.493 5.708 50 0 HKAARN O=C(c1ccccc1Br)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293500 558698564 /nfs/dbraw/zinc/69/85/64/558698564.db2.gz JIYONBOAMYTEDR-UHFFFAOYSA-N 0 0 401.691 5.345 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028293611 558698468 /nfs/dbraw/zinc/69/84/68/558698468.db2.gz UNJJXWZOFSRZFR-CQSZACIVSA-N 0 0 402.828 5.014 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028293614 558698605 /nfs/dbraw/zinc/69/86/05/558698605.db2.gz UNJJXWZOFSRZFR-AWEZNQCLSA-N 0 0 402.828 5.014 50 0 HKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028293676 558698799 /nfs/dbraw/zinc/69/87/99/558698799.db2.gz XVRGLGWJTAAVDC-CQSZACIVSA-N 0 0 402.828 5.014 50 0 HKAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028293678 558698756 /nfs/dbraw/zinc/69/87/56/558698756.db2.gz XVRGLGWJTAAVDC-AWEZNQCLSA-N 0 0 402.828 5.014 50 0 HKAARN CC(C)c1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028293680 558698725 /nfs/dbraw/zinc/69/87/25/558698725.db2.gz JULFCFFVRGGERZ-UHFFFAOYSA-N 0 0 412.892 5.610 50 0 HKAARN COc1ccc(CN(C(=O)c2oc3c(ccc(C)c3C)c2C)c2ccccn2)cc1 ZINC000028293702 558698726 /nfs/dbraw/zinc/69/87/26/558698726.db2.gz OQRBHCVJRZERQH-UHFFFAOYSA-N 0 0 400.478 5.609 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000028293731 558698762 /nfs/dbraw/zinc/69/87/62/558698762.db2.gz JPFUHQRXLOQCCK-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000028293733 558698730 /nfs/dbraw/zinc/69/87/30/558698730.db2.gz RGIWHMVPDZYZFP-UHFFFAOYSA-N 0 0 404.897 6.253 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)c3ccccn3)no2)cc1 ZINC000028293740 558698768 /nfs/dbraw/zinc/69/87/68/558698768.db2.gz RAGPDQJYTRFESZ-UHFFFAOYSA-N 0 0 403.869 5.545 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293742 558698761 /nfs/dbraw/zinc/69/87/61/558698761.db2.gz FFOTZHOWHAVEDV-UHFFFAOYSA-N 0 0 424.287 5.890 50 0 HKAARN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3Cl)c3ccccn3)no2)cc1 ZINC000028293744 558698724 /nfs/dbraw/zinc/69/87/24/558698724.db2.gz ATYTYYBTTGHIGP-UHFFFAOYSA-N 0 0 419.868 5.246 50 0 HKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028293785 568783957 /nfs/dbraw/zinc/78/39/57/568783957.db2.gz CUUPLVWOBLZGTH-QGZVFWFLSA-N 0 0 408.567 5.234 50 0 HKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028293787 568783862 /nfs/dbraw/zinc/78/38/62/568783862.db2.gz CUUPLVWOBLZGTH-KRWDZBQOSA-N 0 0 408.567 5.234 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000028293796 568783930 /nfs/dbraw/zinc/78/39/30/568783930.db2.gz BDNOBYOPKPDLAN-SFHVURJKSA-N 0 0 408.567 5.368 50 0 HKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000028293799 568783946 /nfs/dbraw/zinc/78/39/46/568783946.db2.gz BDNOBYOPKPDLAN-GOSISDBHSA-N 0 0 408.567 5.368 50 0 HKAARN O=C(N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000028293977 568441316 /nfs/dbraw/zinc/44/13/16/568441316.db2.gz XGHLPPVQQUSRIQ-AWEZNQCLSA-N 0 0 417.770 5.515 50 0 HKAARN O=C(N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000028293978 568441234 /nfs/dbraw/zinc/44/12/34/568441234.db2.gz XGHLPPVQQUSRIQ-CQSZACIVSA-N 0 0 417.770 5.515 50 0 HKAARN Cc1ccc([C@]2(C(F)(F)F)N=C3SC=C(c4ccc(Cl)cc4)N3C(=O)N2)cc1 ZINC000028294012 568784092 /nfs/dbraw/zinc/78/40/92/568784092.db2.gz RQMYTDWBGVWFNZ-GOSISDBHSA-N 0 0 423.847 5.695 50 0 HKAARN Cc1ccc([C@@]2(C(F)(F)F)N=C3SC=C(c4ccc(Cl)cc4)N3C(=O)N2)cc1 ZINC000028294014 568784122 /nfs/dbraw/zinc/78/41/22/568784122.db2.gz RQMYTDWBGVWFNZ-SFHVURJKSA-N 0 0 423.847 5.695 50 0 HKAARN Cc1ccc(NC(=S)C(C(=S)Nc2ccc(C)cc2)=C(O)c2ccccc2)cc1 ZINC000028294132 568784070 /nfs/dbraw/zinc/78/40/70/568784070.db2.gz YFHHGAKYLJDCEB-UHFFFAOYSA-N 0 0 418.587 5.981 50 0 HKAARN N=C1SC(c2c(Cl)cc(Cl)cc2Cl)=NNC(c2ccncc2)=C1Cl ZINC000028294483 568784156 /nfs/dbraw/zinc/78/41/56/568784156.db2.gz UXVLHIQWBGLLPN-UHFFFAOYSA-N 0 0 418.136 5.306 50 0 HKAARN CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000028294634 568784034 /nfs/dbraw/zinc/78/40/34/568784034.db2.gz RSIJHRRFYQHUQH-ALRWSWPCSA-N 0 0 404.664 5.972 50 0 HKAARN O=C(Nc1c(-c2ccccc2)nc2scc(-c3cccs3)n21)c1ccccc1 ZINC000028294736 569005006 /nfs/dbraw/zinc/00/50/06/569005006.db2.gz VPWAIPNZABXJHE-UHFFFAOYSA-N 0 0 401.516 6.044 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000028294821 568784130 /nfs/dbraw/zinc/78/41/30/568784130.db2.gz CCOUFHINAZVWCE-ABAIWWIYSA-N 0 0 412.338 5.608 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000028294823 568784145 /nfs/dbraw/zinc/78/41/45/568784145.db2.gz CCOUFHINAZVWCE-IAQYHMDHSA-N 0 0 412.338 5.608 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000028294826 568784012 /nfs/dbraw/zinc/78/40/12/568784012.db2.gz CCOUFHINAZVWCE-NHYWBVRUSA-N 0 0 412.338 5.608 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000028294828 568784178 /nfs/dbraw/zinc/78/41/78/568784178.db2.gz CCOUFHINAZVWCE-XHDPSFHLSA-N 0 0 412.338 5.608 50 0 HKAARN Cc1c(C)n(C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)c2c1cccc2Cl ZINC000028297128 558699072 /nfs/dbraw/zinc/69/90/72/558699072.db2.gz MNAKGXLXOVFJJS-CQSZACIVSA-N 0 0 421.850 5.341 50 0 HKAARN Cc1c(C)n(C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)c2c1cccc2Cl ZINC000028297129 558699033 /nfs/dbraw/zinc/69/90/33/558699033.db2.gz MNAKGXLXOVFJJS-AWEZNQCLSA-N 0 0 421.850 5.341 50 0 HKAARN Cc1c(C)n(C[C@@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c2ccc(C)cc12 ZINC000028297130 558699178 /nfs/dbraw/zinc/69/91/78/558699178.db2.gz MXTUQGKQBVVTNU-HSZRJFAPSA-N 0 0 423.560 5.568 50 0 HKAARN Cc1c(C)n(C[C@H](O)Cn2c3ccccc3nc2Cc2ccccc2)c2ccc(C)cc12 ZINC000028297131 558699220 /nfs/dbraw/zinc/69/92/20/558699220.db2.gz MXTUQGKQBVVTNU-QHCPKHFHSA-N 0 0 423.560 5.568 50 0 HKAARN Brc1ccc(-n2cnnc2CCn2c3ccccc3c3c2CCCC3)cc1 ZINC000028297164 558699249 /nfs/dbraw/zinc/69/92/49/558699249.db2.gz JSIPDYAYCZEIMJ-UHFFFAOYSA-N 0 0 421.342 5.106 50 0 HKAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000028308173 523380687 /nfs/dbraw/zinc/38/06/87/523380687.db2.gz YQGQOCMLPPPOCE-XIEYBQDHSA-N 0 0 422.484 5.258 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCOc1ccccc1 ZINC000028323599 526843310 /nfs/dbraw/zinc/84/33/10/526843310.db2.gz XWVQZQCMADAFJP-UHFFFAOYSA-N 0 0 402.853 5.032 50 0 HKAARN O=C(Nc1ccc(OC(=O)c2cccc3cccnc32)cc1)c1ccccc1Cl ZINC000028343340 558699583 /nfs/dbraw/zinc/69/95/83/558699583.db2.gz HEAFTTWWSFILDQ-UHFFFAOYSA-N 0 0 402.837 5.360 50 0 HKAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000028380859 558699830 /nfs/dbraw/zinc/69/98/30/558699830.db2.gz IDEMERGUDOZQSW-UHFFFAOYSA-N 0 0 408.910 5.340 50 0 HKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1-c1ccc(Cl)cc1 ZINC000028380996 568784837 /nfs/dbraw/zinc/78/48/37/568784837.db2.gz LYEYOGPYVGPIMN-UHFFFAOYSA-N 0 0 414.864 5.610 50 0 HKAARN CCc1ccc2oc(C(=O)N(Cc3ccc(OC)cc3)c3ccccn3)c(C)c2c1 ZINC000028403105 558700054 /nfs/dbraw/zinc/70/00/54/558700054.db2.gz XLEUJXFZEKDSRI-UHFFFAOYSA-N 0 0 400.478 5.554 50 0 HKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000028403110 558700047 /nfs/dbraw/zinc/70/00/47/558700047.db2.gz GNHYIBXALUEEEO-UHFFFAOYSA-N 0 0 412.514 6.887 50 0 HKAARN O=C(c1ccco1)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccn1 ZINC000028403713 558699967 /nfs/dbraw/zinc/69/99/67/558699967.db2.gz KKYJCAMIXWEXBF-UHFFFAOYSA-N 0 0 418.880 5.754 50 0 HKAARN CCc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)c(C)c2c1 ZINC000028404658 558700201 /nfs/dbraw/zinc/70/02/01/558700201.db2.gz SGHGRBILFBFBHY-UHFFFAOYSA-N 0 0 404.897 6.199 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccnn1Cc1cccs1 ZINC000028404858 558700177 /nfs/dbraw/zinc/70/01/77/558700177.db2.gz UQBACKGSFKHVCU-UHFFFAOYSA-N 0 0 416.300 5.062 50 0 HKAARN Cc1ccc(-c2nsc(NC(=O)c3sc4cc(C)ccc4c3Cl)n2)s1 ZINC000028405063 558700244 /nfs/dbraw/zinc/70/02/44/558700244.db2.gz WBGJCUNTDNWKFZ-UHFFFAOYSA-N 0 0 405.957 6.004 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)o3)ns2)cc1 ZINC000028405295 568784877 /nfs/dbraw/zinc/78/48/77/568784877.db2.gz COAALBJILDCMGJ-UHFFFAOYSA-N 0 0 406.305 5.110 50 0 HKAARN CC(=O)Nc1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1-c1ccc(C)cc1 ZINC000028405578 558700195 /nfs/dbraw/zinc/70/01/95/558700195.db2.gz CIDILMLFPXVUBI-RFBIWTDZSA-N 0 0 413.546 5.764 50 0 HKAARN CC(=O)Nc1s/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1 ZINC000028405662 558700209 /nfs/dbraw/zinc/70/02/09/558700209.db2.gz IEEZUCGHUDLAME-RFBIWTDZSA-N 0 0 413.546 6.013 50 0 HKAARN Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CCC(Cc2ccccc2)CC1 ZINC000028405981 558700238 /nfs/dbraw/zinc/70/02/38/558700238.db2.gz XOYFWUAPEUSKCM-UHFFFAOYSA-N 0 0 417.944 5.236 50 0 HKAARN COc1cccc(Nc2nc(NC3CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000028406152 558700219 /nfs/dbraw/zinc/70/02/19/558700219.db2.gz OQRFVHJBYMDKHQ-UHFFFAOYSA-N 0 0 414.513 5.312 50 0 HKAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000028411364 568784943 /nfs/dbraw/zinc/78/49/43/568784943.db2.gz LLFRNYZDTAMAFO-UHFFFAOYSA-N 0 0 410.473 5.694 50 0 HKAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1sc2cccc(Cl)c2c1Cl ZINC000028415642 568784961 /nfs/dbraw/zinc/78/49/61/568784961.db2.gz YEXBGLGANHNURG-UHFFFAOYSA-N 0 0 405.306 5.353 50 0 HKAARN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000028428218 558700736 /nfs/dbraw/zinc/70/07/36/558700736.db2.gz WVVBORVCKZXHIO-UHFFFAOYSA-N 0 0 416.304 5.560 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000028433421 558701002 /nfs/dbraw/zinc/70/10/02/558701002.db2.gz NUHKFNZDURVLBI-OAHLLOKOSA-N 0 0 423.488 5.396 50 0 HKAARN C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(F)c(F)c1 ZINC000028433423 558700954 /nfs/dbraw/zinc/70/09/54/558700954.db2.gz NUHKFNZDURVLBI-HNNXBMFYSA-N 0 0 423.488 5.396 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2cccc3ccccc32)no1 ZINC000028434100 558701134 /nfs/dbraw/zinc/70/11/34/558701134.db2.gz DBFJKAGHGUXOES-OAHLLOKOSA-N 0 0 403.507 5.315 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2cccc3ccccc32)no1 ZINC000028434102 558701155 /nfs/dbraw/zinc/70/11/55/558701155.db2.gz DBFJKAGHGUXOES-HNNXBMFYSA-N 0 0 403.507 5.315 50 0 HKAARN CSc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 ZINC000028437116 568785033 /nfs/dbraw/zinc/78/50/33/568785033.db2.gz MNBDMIIBPTZDPE-UHFFFAOYSA-N 0 0 405.548 5.601 50 0 HKAARN CCc1cc(-c2n[nH]c(C)c2-c2csc(C)n2)c(O)cc1OCc1ccc(F)cc1 ZINC000028462508 568785115 /nfs/dbraw/zinc/78/51/15/568785115.db2.gz HXDDBUQLFFPMPP-UHFFFAOYSA-N 0 0 423.513 5.803 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000028462635 558701395 /nfs/dbraw/zinc/70/13/95/558701395.db2.gz WALXMDGBQSPMDS-PZJWPPBQSA-N 0 0 406.283 5.086 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000028462639 558701444 /nfs/dbraw/zinc/70/14/44/558701444.db2.gz WALXMDGBQSPMDS-TZIWHRDSSA-N 0 0 406.283 5.086 50 0 HKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc32)cc1 ZINC000028467675 558701370 /nfs/dbraw/zinc/70/13/70/558701370.db2.gz XBCWKDITDMHEMI-UHFFFAOYSA-N 0 0 405.453 6.378 50 0 HKAARN CSc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 ZINC000028484898 558701622 /nfs/dbraw/zinc/70/16/22/558701622.db2.gz NLWNCTDDNZTGMI-UHFFFAOYSA-N 0 0 405.548 5.601 50 0 HKAARN Cc1nc2cc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)ccc2o1 ZINC000028493611 558701698 /nfs/dbraw/zinc/70/16/98/558701698.db2.gz CYSKQNQIUMUXAW-UHFFFAOYSA-N 0 0 414.490 5.329 50 0 HKAARN COc1cc(C(=O)N(Cc2cccnc2)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000028515588 558701813 /nfs/dbraw/zinc/70/18/13/558701813.db2.gz DIWZEFLKZNXLBS-UHFFFAOYSA-N 0 0 422.912 5.127 50 0 HKAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N(Cc1cccnc1)C1CC1 ZINC000028517551 558701919 /nfs/dbraw/zinc/70/19/19/558701919.db2.gz MSOIGLACABEOQU-UHFFFAOYSA-N 0 0 423.516 5.527 50 0 HKAARN Cc1cc(C)c2c(n1)sc(-c1cc(=O)oc3cc4c(cc31)CCC4)c2-n1cccc1 ZINC000028541916 568789412 /nfs/dbraw/zinc/78/94/12/568789412.db2.gz XSPIZRWYBGQBDA-UHFFFAOYSA-N 0 0 412.514 5.966 50 0 HKAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(COc2cccc(Cl)c2)o1 ZINC000028562122 568790945 /nfs/dbraw/zinc/79/09/45/568790945.db2.gz GRSIWZNBKYRGOO-UHFFFAOYSA-N 0 0 411.668 6.176 50 0 HKAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000028562224 568791038 /nfs/dbraw/zinc/79/10/38/568791038.db2.gz JHJPZOMVVQZZCV-UHFFFAOYSA-N 0 0 411.668 6.176 50 0 HKAARN O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000028573643 568792403 /nfs/dbraw/zinc/79/24/03/568792403.db2.gz LESAZFBXZDRFJM-UHFFFAOYSA-N 0 0 415.107 5.797 50 0 HKAARN COc1cccc(COC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000028577884 568793067 /nfs/dbraw/zinc/79/30/67/568793067.db2.gz OCFKMHWAPGTATQ-UHFFFAOYSA-N 0 0 407.249 5.531 50 0 HKAARN COc1ccc(N(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000028579244 568793250 /nfs/dbraw/zinc/79/32/50/568793250.db2.gz CGLIGUVUGLSUBP-UHFFFAOYSA-N 0 0 421.440 5.110 50 0 HKAARN COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 ZINC000028580677 558702068 /nfs/dbraw/zinc/70/20/68/558702068.db2.gz DEDPXPHRMNQLLI-UHFFFAOYSA-N 0 0 409.873 5.209 50 0 HKAARN Cc1cc(SCc2nnc(-c3ccccc3Br)o2)nc2ccccc12 ZINC000028614929 568796105 /nfs/dbraw/zinc/79/61/05/568796105.db2.gz JJAGYSJQYJCAJM-UHFFFAOYSA-N 0 0 412.312 5.648 50 0 HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@@]21C ZINC000028629585 568798918 /nfs/dbraw/zinc/79/89/18/568798918.db2.gz PKKAVGRGAYJIIP-CSAPNPRZSA-N 0 0 418.618 5.141 50 0 biogenic HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@@]21C ZINC000028629587 568798935 /nfs/dbraw/zinc/79/89/35/568798935.db2.gz PKKAVGRGAYJIIP-ZHSOWIKWSA-N 0 0 418.618 5.141 50 0 biogenic HKAARN O=C(CNc1ccc2c3c(cccc31)CC2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000028651643 558703022 /nfs/dbraw/zinc/70/30/22/558703022.db2.gz VGJXDWUBVQLBPK-UHFFFAOYSA-N 0 0 404.819 5.661 50 0 HKAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000028652827 558703175 /nfs/dbraw/zinc/70/31/75/558703175.db2.gz OOGLFISCRKTWKJ-IFXJQAMLSA-N 0 0 407.341 5.015 50 0 HKAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 ZINC000028652831 558703296 /nfs/dbraw/zinc/70/32/96/558703296.db2.gz OOGLFISCRKTWKJ-LIRRHRJNSA-N 0 0 407.341 5.015 50 0 HKAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC000028652835 558703229 /nfs/dbraw/zinc/70/32/29/558703229.db2.gz OOGLFISCRKTWKJ-AUUYWEPGSA-N 0 0 407.341 5.015 50 0 HKAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 ZINC000028652839 558703300 /nfs/dbraw/zinc/70/33/00/558703300.db2.gz OOGLFISCRKTWKJ-KUHUBIRLSA-N 0 0 407.341 5.015 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCCCOC1CCCCC1 ZINC000028668264 558703516 /nfs/dbraw/zinc/70/35/16/558703516.db2.gz KHEYKZZLZSOVEH-UHFFFAOYSA-N 0 0 402.560 5.053 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)ccc2c1 ZINC000028683710 558703590 /nfs/dbraw/zinc/70/35/90/558703590.db2.gz DTMLBDOKSWYKRV-IRXDYDNUSA-N 0 0 423.582 5.279 50 0 HKAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1csc(-c2ccsc2)n1 ZINC000028686076 568801420 /nfs/dbraw/zinc/80/14/20/568801420.db2.gz NTASZRPYVBXDCV-UHFFFAOYSA-N 0 0 411.533 5.182 50 0 HKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000028689452 568801995 /nfs/dbraw/zinc/80/19/95/568801995.db2.gz YYMRPEPBQUSIOM-NRFANRHFSA-N 0 0 404.535 5.954 50 0 HKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000028689453 568801979 /nfs/dbraw/zinc/80/19/79/568801979.db2.gz YYMRPEPBQUSIOM-OAQYLSRUSA-N 0 0 404.535 5.954 50 0 HKAARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3O)c2c1C ZINC000028689741 558703639 /nfs/dbraw/zinc/70/36/39/558703639.db2.gz NDNCJLZRYGIXSB-UHFFFAOYSA-N 0 0 407.520 5.417 50 0 HKAARN COc1cc(C)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1OC ZINC000028701289 568802921 /nfs/dbraw/zinc/80/29/21/568802921.db2.gz FHEYCAQDZIEVJC-UHFFFAOYSA-N 0 0 415.411 5.950 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1Cl ZINC000028701338 558704015 /nfs/dbraw/zinc/70/40/15/558704015.db2.gz RMGKBETYYYIZAI-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN CC1CCN(Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)CC1 ZINC000028705455 558703938 /nfs/dbraw/zinc/70/39/38/558703938.db2.gz NKHDKGBFAWPBFP-UHFFFAOYSA-N 0 0 404.483 5.006 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccncc3)n2)cc1 ZINC000028707504 568964435 /nfs/dbraw/zinc/96/44/35/568964435.db2.gz DZAUHMQHEFSHLH-LJQANCHMSA-N 0 0 422.966 6.276 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccncc3)n2)cc1 ZINC000028707506 568964424 /nfs/dbraw/zinc/96/44/24/568964424.db2.gz DZAUHMQHEFSHLH-IBGZPJMESA-N 0 0 422.966 6.276 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3cccnc3)n2)cc1 ZINC000028707512 568964427 /nfs/dbraw/zinc/96/44/27/568964427.db2.gz YWHYNYIOLZNYSA-HXUWFJFHSA-N 0 0 402.548 5.931 50 0 HKAARN Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3cccnc3)n2)cc1 ZINC000028707514 568964354 /nfs/dbraw/zinc/96/43/54/568964354.db2.gz YWHYNYIOLZNYSA-FQEVSTJZSA-N 0 0 402.548 5.931 50 0 HKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3cccnc3)n2)cc1 ZINC000028707515 568964430 /nfs/dbraw/zinc/96/44/30/568964430.db2.gz PRDFSARUFIZQFL-HXUWFJFHSA-N 0 0 418.547 5.631 50 0 HKAARN COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3cccnc3)n2)cc1 ZINC000028707516 568964442 /nfs/dbraw/zinc/96/44/42/568964442.db2.gz PRDFSARUFIZQFL-FQEVSTJZSA-N 0 0 418.547 5.631 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3cccnc3)n2)cc1 ZINC000028707518 568964556 /nfs/dbraw/zinc/96/45/56/568964556.db2.gz KRRYFZRUFQAFDB-LJQANCHMSA-N 0 0 422.966 6.276 50 0 HKAARN Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3cccnc3)n2)cc1 ZINC000028707520 568964641 /nfs/dbraw/zinc/96/46/41/568964641.db2.gz KRRYFZRUFQAFDB-IBGZPJMESA-N 0 0 422.966 6.276 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000028718021 558703944 /nfs/dbraw/zinc/70/39/44/558703944.db2.gz KNIADCDHZAWPIA-UHFFFAOYSA-N 0 0 414.849 5.213 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1C ZINC000028719737 571037684 /nfs/dbraw/zinc/03/76/84/571037684.db2.gz NJMIINJWNYNBEF-UHFFFAOYSA-N 0 0 411.527 5.565 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000028728454 571037636 /nfs/dbraw/zinc/03/76/36/571037636.db2.gz NTBPCVDZSODSSN-UHFFFAOYSA-N 0 0 402.838 5.146 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028743586 568805869 /nfs/dbraw/zinc/80/58/69/568805869.db2.gz PTVJQBSPJLYXSV-LLVKDONJSA-N 0 0 423.321 5.700 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028743590 568805829 /nfs/dbraw/zinc/80/58/29/568805829.db2.gz PTVJQBSPJLYXSV-NSHDSACASA-N 0 0 423.321 5.700 50 0 HKAARN Nc1c(Cl)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl ZINC000028818685 558705294 /nfs/dbraw/zinc/70/52/94/558705294.db2.gz UQDYQRSGSQTQFX-UHFFFAOYSA-N 0 0 424.291 5.076 50 0 HKAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccc(F)cc1 ZINC000028851780 558706081 /nfs/dbraw/zinc/70/60/81/558706081.db2.gz UEZHPQDKJZLSEZ-UHFFFAOYSA-N 0 0 417.412 5.038 50 0 HKAARN CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000028880149 558706694 /nfs/dbraw/zinc/70/66/94/558706694.db2.gz MXEMHTRNBMHRDG-UHFFFAOYSA-N 0 0 419.424 5.028 50 0 HKAARN Cc1ccc(-c2noc(CSCC(=O)N(Cc3ccccc3)C(C)(C)C)n2)cc1 ZINC000028908277 558707009 /nfs/dbraw/zinc/70/70/09/558707009.db2.gz QZSMRIQZRBQUCC-UHFFFAOYSA-N 0 0 409.555 5.106 50 0 HKAARN O=C(Nc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1)C1CCC1 ZINC000028960432 558708047 /nfs/dbraw/zinc/70/80/47/558708047.db2.gz JPHXPPMYWUBCHF-UHFFFAOYSA-N 0 0 417.534 5.585 50 0 HKAARN Clc1cccc(-c2nc(CSc3nncn3CCc3cccs3)co2)c1 ZINC000028965484 558707894 /nfs/dbraw/zinc/70/78/94/558707894.db2.gz RVHKJZCXDGHVDB-UHFFFAOYSA-N 0 0 402.932 5.183 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccc(F)cc4nc3C)n2)c1 ZINC000028974720 558708204 /nfs/dbraw/zinc/70/82/04/558708204.db2.gz CQCZESJMXAHXBH-UHFFFAOYSA-N 0 0 423.469 5.075 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Br)o1 ZINC000029013043 558708561 /nfs/dbraw/zinc/70/85/61/558708561.db2.gz BDWVAJXFMYKNBE-UHFFFAOYSA-N 0 0 417.206 5.437 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnc2ccccc2n1 ZINC000029013392 558708450 /nfs/dbraw/zinc/70/84/50/558708450.db2.gz XINVNRVMTBDSMW-UHFFFAOYSA-N 0 0 400.385 5.024 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(C(F)(F)F)nc1 ZINC000029013648 558708532 /nfs/dbraw/zinc/70/85/32/558708532.db2.gz XPFNZJMFZIDDAD-UHFFFAOYSA-N 0 0 417.334 5.495 50 0 HKAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000029014970 558708470 /nfs/dbraw/zinc/70/84/70/558708470.db2.gz IXPJXLJIAPYMMO-YJYMSZOUSA-N 0 0 411.527 5.203 50 0 HKAARN C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000029014972 558708496 /nfs/dbraw/zinc/70/84/96/558708496.db2.gz IXPJXLJIAPYMMO-DJJJIMSYSA-N 0 0 411.527 5.203 50 0 HKAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000029014973 558708558 /nfs/dbraw/zinc/70/85/58/558708558.db2.gz IXPJXLJIAPYMMO-BFUOFWGJSA-N 0 0 411.527 5.203 50 0 HKAARN C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000029014975 558708509 /nfs/dbraw/zinc/70/85/09/558708509.db2.gz IXPJXLJIAPYMMO-ORAYPTAESA-N 0 0 411.527 5.203 50 0 HKAARN O=C(C=Cc1ccc2ccc(Cl)cc2n1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000029021344 568643878 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C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc2ccccc21 ZINC000029063816 558709033 /nfs/dbraw/zinc/70/90/33/558709033.db2.gz AYXIGGKVMHTBAX-INIZCTEOSA-N 0 0 404.897 5.958 50 0 HKAARN C[C@@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2C1 ZINC000029064086 558708984 /nfs/dbraw/zinc/70/89/84/558708984.db2.gz XJPQCURQQNNCSH-GFCCVEGCSA-N 0 0 401.919 5.148 50 0 HKAARN C[C@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2C1 ZINC000029064091 558708965 /nfs/dbraw/zinc/70/89/65/558708965.db2.gz XJPQCURQQNNCSH-LBPRGKRZSA-N 0 0 401.919 5.148 50 0 HKAARN CC1CCN(c2nnc(SCc3csc(-c4ccccc4)n3)n2C2CC2)CC1 ZINC000029069004 558709298 /nfs/dbraw/zinc/70/92/98/558709298.db2.gz UCPKPLJVBFXWIS-UHFFFAOYSA-N 0 0 411.600 5.265 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1nc2ccccc2s1 ZINC000029071929 558709332 /nfs/dbraw/zinc/70/93/32/558709332.db2.gz OOZQQIZTJHFXJW-UHFFFAOYSA-N 0 0 407.442 5.163 50 0 HKAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000029077317 568818171 /nfs/dbraw/zinc/81/81/71/568818171.db2.gz 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522133672 /nfs/dbraw/zinc/13/36/72/522133672.db2.gz JBQPFYADORRKIA-SANMLTNESA-N 0 0 424.500 5.189 50 0 HKAARN COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1OCc1ccccc1 ZINC000029713124 522144928 /nfs/dbraw/zinc/14/49/28/522144928.db2.gz JBQPFYADORRKIA-AREMUKBSSA-N 0 0 424.500 5.189 50 0 HKAARN CCc1ccc(NC(=O)c2nnc(CN(C)[C@@H](C)c3cc4ccccc4o3)s2)cc1 ZINC000029718470 523993261 /nfs/dbraw/zinc/99/32/61/523993261.db2.gz GXQYTVZCUGMVTE-HNNXBMFYSA-N 0 0 420.538 5.292 50 0 HKAARN CCc1ccc(NC(=O)c2nnc(CN(C)[C@H](C)c3cc4ccccc4o3)s2)cc1 ZINC000029718473 523993138 /nfs/dbraw/zinc/99/31/38/523993138.db2.gz GXQYTVZCUGMVTE-OAHLLOKOSA-N 0 0 420.538 5.292 50 0 HKAARN COc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(F)F ZINC000029720692 568828721 /nfs/dbraw/zinc/82/87/21/568828721.db2.gz IGLIAXILIJPKHF-VIFPVBQESA-N 0 0 405.228 5.043 50 0 HKAARN COc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(F)F ZINC000029720693 568828700 /nfs/dbraw/zinc/82/87/00/568828700.db2.gz IGLIAXILIJPKHF-SECBINFHSA-N 0 0 405.228 5.043 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000029738251 558719676 /nfs/dbraw/zinc/71/96/76/558719676.db2.gz URWWULNSGWEZPK-UHFFFAOYSA-N 0 0 403.429 5.077 50 0 HKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1 ZINC000029738591 568828750 /nfs/dbraw/zinc/82/87/50/568828750.db2.gz PBXOXTRLTYYYDF-NSHDSACASA-N 0 0 415.500 5.177 50 0 HKAARN CCOc1ccccc1Nc1nnc(S[C@H](C)c2nc(-c3ccco3)no2)s1 ZINC000029738592 568828653 /nfs/dbraw/zinc/82/86/53/568828653.db2.gz PBXOXTRLTYYYDF-LLVKDONJSA-N 0 0 415.500 5.177 50 0 HKAARN C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)c1nc(-c2ccco2)no1 ZINC000029739189 558719684 /nfs/dbraw/zinc/71/96/84/558719684.db2.gz YFAPFKZJGIVXNK-LLVKDONJSA-N 0 0 424.482 5.994 50 0 HKAARN C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c21)c1nc(-c2ccco2)no1 ZINC000029739190 558719717 /nfs/dbraw/zinc/71/97/17/558719717.db2.gz YFAPFKZJGIVXNK-NSHDSACASA-N 0 0 424.482 5.994 50 0 HKAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc(-c2ccco2)no1 ZINC000029739282 568828667 /nfs/dbraw/zinc/82/86/67/568828667.db2.gz MORKUPSZPJGFMI-CYBMUJFWSA-N 0 0 409.515 5.276 50 0 HKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc(-c2ccco2)no1 ZINC000029739283 568828658 /nfs/dbraw/zinc/82/86/58/568828658.db2.gz MORKUPSZPJGFMI-ZDUSSCGKSA-N 0 0 409.515 5.276 50 0 HKAARN CCn1c(S[C@@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000029739285 568828697 /nfs/dbraw/zinc/82/86/97/568828697.db2.gz XXXMPCNEZBTGIW-AWEZNQCLSA-N 0 0 423.542 5.759 50 0 HKAARN CCn1c(S[C@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000029739286 568828656 /nfs/dbraw/zinc/82/86/56/568828656.db2.gz XXXMPCNEZBTGIW-CQSZACIVSA-N 0 0 423.542 5.759 50 0 HKAARN C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccco2)no1 ZINC000029739678 558719715 /nfs/dbraw/zinc/71/97/15/558719715.db2.gz MIMVLAHLJGMVRA-LLVKDONJSA-N 0 0 417.288 5.131 50 0 HKAARN C[C@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccco2)no1 ZINC000029739679 558719700 /nfs/dbraw/zinc/71/97/00/558719700.db2.gz MIMVLAHLJGMVRA-NSHDSACASA-N 0 0 417.288 5.131 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000029756869 558720181 /nfs/dbraw/zinc/72/01/81/558720181.db2.gz AXOVREDFBQBLIB-UHFFFAOYSA-N 0 0 420.243 5.765 50 0 HKAARN COc1cc(C2SCCS2)ccc1OC(=O)c1csc(-c2ccsc2)n1 ZINC000029763487 568830065 /nfs/dbraw/zinc/83/00/65/568830065.db2.gz BHUPAHMYKHMXRD-UHFFFAOYSA-N 0 0 421.590 5.578 50 0 HKAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1csc(-c2ccsc2)n1 ZINC000029766906 558720648 /nfs/dbraw/zinc/72/06/48/558720648.db2.gz BMNUTYWLTBDNKV-UHFFFAOYSA-N 0 0 400.916 5.022 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3cc4cc(OC)ccc4nc3C)sc2C)cc1 ZINC000029770077 558720575 /nfs/dbraw/zinc/72/05/75/558720575.db2.gz VQIWXEGKIIISHE-UHFFFAOYSA-N 0 0 419.506 5.245 50 0 HKAARN C[C@H](c1cccs1)N(C)C(=O)COc1ccc2ccccc2c1Br ZINC000029780829 558720867 /nfs/dbraw/zinc/72/08/67/558720867.db2.gz QTGQMEXJQFDLLM-CYBMUJFWSA-N 0 0 404.329 5.262 50 0 HKAARN C[C@@H](c1cccs1)N(C)C(=O)COc1ccc2ccccc2c1Br ZINC000029780830 558720815 /nfs/dbraw/zinc/72/08/15/558720815.db2.gz QTGQMEXJQFDLLM-ZDUSSCGKSA-N 0 0 404.329 5.262 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000029809230 558721792 /nfs/dbraw/zinc/72/17/92/558721792.db2.gz LIDVYZBVCUMXHE-UHFFFAOYSA-N 0 0 419.488 5.545 50 0 HKAARN O=C(CSc1ncnc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029827173 568836433 /nfs/dbraw/zinc/83/64/33/568836433.db2.gz JRLZHBFSVIKJCR-HXUWFJFHSA-N 0 0 423.588 5.019 50 0 HKAARN O=C(CSc1ncnc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029827176 568836453 /nfs/dbraw/zinc/83/64/53/568836453.db2.gz JRLZHBFSVIKJCR-FQEVSTJZSA-N 0 0 423.588 5.019 50 0 HKAARN Cc1ccc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2c1 ZINC000029852045 568838293 /nfs/dbraw/zinc/83/82/93/568838293.db2.gz UYHFEVYSUCESID-UHFFFAOYSA-N 0 0 414.490 5.084 50 0 HKAARN CCOc1ccccc1Nc1nnc(SCc2coc(-c3ccccc3)n2)s1 ZINC000029866745 558722865 /nfs/dbraw/zinc/72/28/65/558722865.db2.gz JBWCKYOWBXNWIF-UHFFFAOYSA-N 0 0 410.524 5.628 50 0 HKAARN O=c1[nH]c(CSC2CCCC2)nc2c(Br)cc(Br)cc12 ZINC000029867977 558722872 /nfs/dbraw/zinc/72/28/72/558722872.db2.gz HORMWXOEKGGMEA-UHFFFAOYSA-N 0 0 418.154 5.036 50 0 HKAARN COc1ccc(-c2nnc(SCc3nnsc3Cl)n2C2CCCCC2)cc1 ZINC000029871833 558722860 /nfs/dbraw/zinc/72/28/60/558722860.db2.gz NQIAAOKTVIBDKU-UHFFFAOYSA-N 0 0 421.979 5.256 50 0 HKAARN COc1ccccc1-c1noc(CSc2nccn2-c2ccc(C(C)C)cc2)n1 ZINC000029902488 558723755 /nfs/dbraw/zinc/72/37/55/558723755.db2.gz VZIBSVQJJJERQD-UHFFFAOYSA-N 0 0 406.511 5.347 50 0 HKAARN COc1ccccc1-c1noc(CSc2nccn2-c2cccc(Cl)c2C)n1 ZINC000029916282 568850196 /nfs/dbraw/zinc/85/01/96/568850196.db2.gz KQBPSRHSRWTGPF-UHFFFAOYSA-N 0 0 412.902 5.185 50 0 HKAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000029916477 558724098 /nfs/dbraw/zinc/72/40/98/558724098.db2.gz ZXUQAHBXLVNDTJ-QGZVFWFLSA-N 0 0 417.987 5.351 50 0 HKAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000029916483 558724049 /nfs/dbraw/zinc/72/40/49/558724049.db2.gz ZXUQAHBXLVNDTJ-KRWDZBQOSA-N 0 0 417.987 5.351 50 0 HKAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnc(CSC)o3)c3ccccc3)c[nH]c21 ZINC000029917356 558724054 /nfs/dbraw/zinc/72/40/54/558724054.db2.gz ZHNKZACROWXUKJ-NRFANRHFSA-N 0 0 423.563 5.693 50 0 HKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(CSC)o3)c3ccccc3)c[nH]c21 ZINC000029917361 558724023 /nfs/dbraw/zinc/72/40/23/558724023.db2.gz ZHNKZACROWXUKJ-OAQYLSRUSA-N 0 0 423.563 5.693 50 0 HKAARN COc1ccc(Br)c(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 ZINC000029921455 568851858 /nfs/dbraw/zinc/85/18/58/568851858.db2.gz PLYMXJOPUOYPAU-UHFFFAOYSA-N 0 0 403.301 5.142 50 0 HKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000029922766 558724066 /nfs/dbraw/zinc/72/40/66/558724066.db2.gz ZKGOQCQCEWWMHX-UHFFFAOYSA-N 0 0 422.532 5.067 50 0 HKAARN Cc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)c(C)c1 ZINC000029922775 568851854 /nfs/dbraw/zinc/85/18/54/568851854.db2.gz OOKIZESGFJYSNN-UHFFFAOYSA-N 0 0 415.459 5.299 50 0 HKAARN O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000029957204 558724910 /nfs/dbraw/zinc/72/49/10/558724910.db2.gz GXTZNDRJSSIEDK-IBGZPJMESA-N 0 0 415.440 5.092 50 0 HKAARN O=C(Cc1cccs1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000029957206 558724768 /nfs/dbraw/zinc/72/47/68/558724768.db2.gz GXTZNDRJSSIEDK-LJQANCHMSA-N 0 0 415.440 5.092 50 0 HKAARN O=C(NCCSCc1ccco1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000029979973 568854548 /nfs/dbraw/zinc/85/45/48/568854548.db2.gz IFGDVUFPGSVSTI-UHFFFAOYSA-N 0 0 404.491 5.265 50 0 HKAARN Cc1nc(CSCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cs1 ZINC000029981512 568854751 /nfs/dbraw/zinc/85/47/51/568854751.db2.gz ZXSLYPGAUQLSGO-MRXNPFEDSA-N 0 0 403.598 5.048 50 0 HKAARN Cc1nc(CSCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cs1 ZINC000029981513 568854770 /nfs/dbraw/zinc/85/47/70/568854770.db2.gz ZXSLYPGAUQLSGO-INIZCTEOSA-N 0 0 403.598 5.048 50 0 HKAARN CCOc1ccccc1Nc1nnc(SCc2noc(-c3cccs3)n2)s1 ZINC000030024274 558726433 /nfs/dbraw/zinc/72/64/33/558726433.db2.gz ICZYUMKXUNQPKP-UHFFFAOYSA-N 0 0 417.541 5.084 50 0 HKAARN COc1ccccc1-c1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)no1 ZINC000030035374 558726726 /nfs/dbraw/zinc/72/67/26/558726726.db2.gz KNENJBVJKCWRHG-UHFFFAOYSA-N 0 0 419.506 5.651 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(N2C(=O)CCC2=O)c1 ZINC000030060989 558726922 /nfs/dbraw/zinc/72/69/22/558726922.db2.gz NGVPKVJEQZYVQF-UHFFFAOYSA-N 0 0 420.852 5.038 50 0 HKAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000030061054 568857221 /nfs/dbraw/zinc/85/72/21/568857221.db2.gz KDTGVROQZICLLJ-UHFFFAOYSA-N 0 0 415.898 5.097 50 0 HKAARN Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 ZINC000030113738 558727218 /nfs/dbraw/zinc/72/72/18/558727218.db2.gz GKWHIEWGLXHZSP-OAHLLOKOSA-N 0 0 417.625 5.091 50 0 HKAARN Cc1nc(CSCCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cs1 ZINC000030113740 558727172 /nfs/dbraw/zinc/72/71/72/558727172.db2.gz GKWHIEWGLXHZSP-HNNXBMFYSA-N 0 0 417.625 5.091 50 0 HKAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc(SC4CCCC4)cc1)(C3)C2 ZINC000030183995 558727889 /nfs/dbraw/zinc/72/78/89/558727889.db2.gz IMPACEYZMGWGIL-ISVJADKWSA-N 0 0 412.599 5.135 50 0 HKAARN O=C(NCc1ccccc1COc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000030185973 558727912 /nfs/dbraw/zinc/72/79/12/558727912.db2.gz ILILGNLAUQRMNY-UHFFFAOYSA-N 0 0 415.518 5.044 50 0 HKAARN O=C(NCc1ccccc1COc1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000030187032 558727917 /nfs/dbraw/zinc/72/79/17/558727917.db2.gz HGCZJGGDCUQBKX-UHFFFAOYSA-N 0 0 421.587 5.674 50 0 HKAARN CC(C)COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl ZINC000030201139 558727868 /nfs/dbraw/zinc/72/78/68/558727868.db2.gz RIRDSTXBAJRMHW-UHFFFAOYSA-N 0 0 404.919 5.061 50 0 HKAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000030217611 558728150 /nfs/dbraw/zinc/72/81/50/558728150.db2.gz GHBNNTANIRKDBJ-DEOSSOPVSA-N 0 0 413.546 5.081 50 0 HKAARN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000030217615 558728113 /nfs/dbraw/zinc/72/81/13/558728113.db2.gz GHBNNTANIRKDBJ-XMMPIXPASA-N 0 0 413.546 5.081 50 0 HKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000030315108 558728689 /nfs/dbraw/zinc/72/86/89/558728689.db2.gz BELYSMSSEAEQDX-CQSZACIVSA-N 0 0 403.309 5.801 50 0 HKAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000030315110 558728694 /nfs/dbraw/zinc/72/86/94/558728694.db2.gz BELYSMSSEAEQDX-AWEZNQCLSA-N 0 0 403.309 5.801 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cs2)cc1 ZINC000030315369 568861279 /nfs/dbraw/zinc/86/12/79/568861279.db2.gz RKWDTDGSRWGYKQ-MRXNPFEDSA-N 0 0 414.958 5.446 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cs2)cc1 ZINC000030315371 568861263 /nfs/dbraw/zinc/86/12/63/568861263.db2.gz RKWDTDGSRWGYKQ-INIZCTEOSA-N 0 0 414.958 5.446 50 0 HKAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000030317002 568861224 /nfs/dbraw/zinc/86/12/24/568861224.db2.gz LLIMJOLHBOPLCB-PPGNKHEKSA-N 0 0 424.324 5.252 50 0 HKAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000030317003 568861181 /nfs/dbraw/zinc/86/11/81/568861181.db2.gz LLIMJOLHBOPLCB-YSKGHYERSA-N 0 0 424.324 5.252 50 0 HKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000030364747 568862030 /nfs/dbraw/zinc/86/20/30/568862030.db2.gz GEPGYFWZIMGDKW-FQEVSTJZSA-N 0 0 409.917 5.061 50 0 HKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000030364750 568861985 /nfs/dbraw/zinc/86/19/85/568861985.db2.gz GEPGYFWZIMGDKW-HXUWFJFHSA-N 0 0 409.917 5.061 50 0 HKAARN O=C(CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000030367046 568861990 /nfs/dbraw/zinc/86/19/90/568861990.db2.gz HORDOMILVPJGRM-SFHVURJKSA-N 0 0 420.734 5.429 50 0 HKAARN O=C(CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000030367049 568862200 /nfs/dbraw/zinc/86/22/00/568862200.db2.gz HORDOMILVPJGRM-GOSISDBHSA-N 0 0 420.734 5.429 50 0 HKAARN C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000030368800 558729258 /nfs/dbraw/zinc/72/92/58/558729258.db2.gz KWCYLUSMAWXRSJ-RISCZKNCSA-N 0 0 400.327 5.063 50 0 HKAARN C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000030368803 558729251 /nfs/dbraw/zinc/72/92/51/558729251.db2.gz KWCYLUSMAWXRSJ-FZMZJTMJSA-N 0 0 400.327 5.063 50 0 HKAARN C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000030368806 558729246 /nfs/dbraw/zinc/72/92/46/558729246.db2.gz KWCYLUSMAWXRSJ-BXUZGUMPSA-N 0 0 400.327 5.063 50 0 HKAARN C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000030368809 558729267 /nfs/dbraw/zinc/72/92/67/558729267.db2.gz KWCYLUSMAWXRSJ-SMDDNHRTSA-N 0 0 400.327 5.063 50 0 HKAARN Cc1ccc(OCc2nc(C(=O)N(Cc3ccco3)Cc3ccco3)cs2)cc1 ZINC000030470781 558730561 /nfs/dbraw/zinc/73/05/61/558730561.db2.gz JBDABLPDGOHNCU-UHFFFAOYSA-N 0 0 408.479 5.059 50 0 HKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)on1 ZINC000030476577 558730762 /nfs/dbraw/zinc/73/07/62/558730762.db2.gz ALAHLLLYOGGZHO-UHFFFAOYSA-N 0 0 404.491 5.254 50 0 HKAARN CCOCc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030508937 558731244 /nfs/dbraw/zinc/73/12/44/558731244.db2.gz VHHFQNDYBRXPEK-UHFFFAOYSA-N 0 0 412.489 5.475 50 0 HKAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(SC2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000030510683 558731309 /nfs/dbraw/zinc/73/13/09/558731309.db2.gz UMQSECJDMRTWDV-IBGZPJMESA-N 0 0 417.962 5.113 50 0 HKAARN NC(=O)N[C@H](CC(=O)Nc1ccc(SC2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000030510686 558731313 /nfs/dbraw/zinc/73/13/13/558731313.db2.gz UMQSECJDMRTWDV-LJQANCHMSA-N 0 0 417.962 5.113 50 0 HKAARN Cc1sc2nc(-c3cccs3)nc(Oc3cccc(-c4nnco4)c3)c2c1C ZINC000030519769 558731570 /nfs/dbraw/zinc/73/15/70/558731570.db2.gz LOVQAVJRXQVOQX-UHFFFAOYSA-N 0 0 406.492 5.879 50 0 HKAARN Clc1ccc2sc(SC[C@@H]3CSc4nnc(-c5cccnc5)n43)nc2c1 ZINC000030533270 558732038 /nfs/dbraw/zinc/73/20/38/558732038.db2.gz HOZXSKVQVBGSPX-LBPRGKRZSA-N 0 0 417.972 5.042 50 0 HKAARN Clc1ccc2sc(SC[C@H]3CSc4nnc(-c5cccnc5)n43)nc2c1 ZINC000030533272 558731936 /nfs/dbraw/zinc/73/19/36/558731936.db2.gz HOZXSKVQVBGSPX-GFCCVEGCSA-N 0 0 417.972 5.042 50 0 HKAARN CCOc1ccc(-c2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000030553628 568870906 /nfs/dbraw/zinc/87/09/06/568870906.db2.gz CXCVBCMGVLZVNT-UHFFFAOYSA-N 0 0 420.456 5.087 50 0 HKAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(C)c(-c2ccccn2)s1 ZINC000030558917 558732876 /nfs/dbraw/zinc/73/28/76/558732876.db2.gz YSWUPTAXFIXHIG-UHFFFAOYSA-N 0 0 424.526 5.261 50 0 HKAARN COc1cccc2c1N(C(=O)c1sc3nc(-c4ccco4)nc(C)c3c1C)CCC2 ZINC000030574541 558733330 /nfs/dbraw/zinc/73/33/30/558733330.db2.gz NSMYUCCCWACCFZ-UHFFFAOYSA-N 0 0 419.506 5.170 50 0 HKAARN COc1cccc2c1N(C(=O)c1cc(-c3ccc(C)s3)nc3onc(C)c31)CCC2 ZINC000030574673 568872240 /nfs/dbraw/zinc/87/22/40/568872240.db2.gz OORQEWPNSDYRHW-UHFFFAOYSA-N 0 0 419.506 5.170 50 0 HKAARN CC(C)c1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000030625917 568877466 /nfs/dbraw/zinc/87/74/66/568877466.db2.gz HMWRXYQIFIWJTF-UHFFFAOYSA-N 0 0 422.916 5.250 50 0 HKAARN Cn1ccnc1[C@@H](NCc1ccc(-c2ccccc2Cl)s1)c1ccccc1F ZINC000030645583 558734841 /nfs/dbraw/zinc/73/48/41/558734841.db2.gz DZYORZLUCRYAOC-NRFANRHFSA-N 0 0 411.933 5.820 50 0 HKAARN Cn1ccnc1[C@H](NCc1ccc(-c2ccccc2Cl)s1)c1ccccc1F ZINC000030645587 558734916 /nfs/dbraw/zinc/73/49/16/558734916.db2.gz DZYORZLUCRYAOC-OAQYLSRUSA-N 0 0 411.933 5.820 50 0 HKAARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)sc1C ZINC000030700295 524178612 /nfs/dbraw/zinc/17/86/12/524178612.db2.gz QJLFNULZPPBYTD-UHFFFAOYSA-N 0 0 420.943 5.071 50 0 HKAARN Cc1nc(-c2c[nH]c(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)cs1 ZINC000030774060 558737934 /nfs/dbraw/zinc/73/79/34/558737934.db2.gz PZBMEKOPCYGGLU-UHFFFAOYSA-N 0 0 401.535 5.332 50 0 HKAARN COc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000030779914 568889527 /nfs/dbraw/zinc/88/95/27/568889527.db2.gz GNJIQZKVNQXMAN-KPOBHBOGSA-N 0 0 418.331 5.409 50 0 HKAARN COc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1O ZINC000030780035 568889704 /nfs/dbraw/zinc/88/97/04/568889704.db2.gz NDSXYSQHMTVZDJ-VIZZQPHQSA-N 0 0 404.304 5.106 50 0 HKAARN CCOc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1OCC ZINC000030780306 568889632 /nfs/dbraw/zinc/88/96/32/568889632.db2.gz CIJNZUJWJSDNFV-USCONSEESA-N 0 0 401.934 6.080 50 0 HKAARN CCOc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000030780736 568889811 /nfs/dbraw/zinc/88/98/11/568889811.db2.gz QGMPNHIGERIQJS-KPOBHBOGSA-N 0 0 418.331 5.409 50 0 HKAARN CCOc1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)c1OC ZINC000030781134 568889680 /nfs/dbraw/zinc/88/96/80/568889680.db2.gz CYNTUCOYAYWOSA-GKCIPKSASA-N 0 0 418.331 5.491 50 0 HKAARN CCOc1c(Br)cc([C@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc1OC ZINC000030781495 568889686 /nfs/dbraw/zinc/88/96/86/568889686.db2.gz WXUSICSWNIAIMA-KPOBHBOGSA-N 0 0 418.331 5.409 50 0 HKAARN Cc1cc(C)c(C)c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1C ZINC000030789193 558738181 /nfs/dbraw/zinc/73/81/81/558738181.db2.gz KATGUGDHPJXKNF-UHFFFAOYSA-N 0 0 401.532 5.455 50 0 HKAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)cc1 ZINC000030812005 568892416 /nfs/dbraw/zinc/89/24/16/568892416.db2.gz YTQRVOHPNROTSE-UHFFFAOYSA-N 0 0 404.235 5.321 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC4CCCCCCC4)c(=O)oc3c2C)c1C ZINC000030819158 558738561 /nfs/dbraw/zinc/73/85/61/558738561.db2.gz OORWNKPCUAEINS-UHFFFAOYSA-N 0 0 423.553 5.935 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc2c1C ZINC000030819216 558738589 /nfs/dbraw/zinc/73/85/89/558738589.db2.gz GRXUZDBUXLFTGW-MRXNPFEDSA-N 0 0 403.478 5.274 50 0 HKAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc2c1C ZINC000030819218 558738620 /nfs/dbraw/zinc/73/86/20/558738620.db2.gz GRXUZDBUXLFTGW-INIZCTEOSA-N 0 0 403.478 5.274 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCC4=CCCCC4)c(=O)oc3c2C)c1C ZINC000030819248 558738872 /nfs/dbraw/zinc/73/88/72/558738872.db2.gz WRBLUVLWDWIHRF-UHFFFAOYSA-N 0 0 421.537 5.712 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC4CCCCCC4)c(=O)oc3c2C)c1C ZINC000030819257 558738857 /nfs/dbraw/zinc/73/88/57/558738857.db2.gz IBVAGLZAUMNRQN-UHFFFAOYSA-N 0 0 409.526 5.544 50 0 HKAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(-c3ccccc3)c/c(=N/N)oc12 ZINC000030822705 558739138 /nfs/dbraw/zinc/73/91/38/558739138.db2.gz JNOGKJIHDGUWRK-QYQHSDTDSA-N 0 0 400.865 6.249 50 0 HKAARN CCOC(=O)/C(C)=C(\C)N/N=c1\cc(-c2ccccc2)c2cc3c(C)coc3cc2o1 ZINC000030822720 558739151 /nfs/dbraw/zinc/73/91/51/558739151.db2.gz HTRUSDKPOICETI-HCAMEMCOSA-N 0 0 416.477 5.417 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1 ZINC000030822855 527173534 /nfs/dbraw/zinc/17/35/34/527173534.db2.gz YXNGBQDEPXMHTL-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)CCCC2)cc1 ZINC000030822856 524229048 /nfs/dbraw/zinc/22/90/48/524229048.db2.gz TUPUMABANSVVKR-UHFFFAOYSA-N 0 0 411.505 5.957 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3C)CCCC2)cc1 ZINC000030822858 524227858 /nfs/dbraw/zinc/22/78/58/524227858.db2.gz AMKHAZLREOBYAY-UHFFFAOYSA-N 0 0 411.505 5.957 50 0 HKAARN Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CCCC2)cc1 ZINC000030822861 524229073 /nfs/dbraw/zinc/22/90/73/524229073.db2.gz FFVYVALNTKUXJV-UHFFFAOYSA-N 0 0 404.535 5.759 50 0 HKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000030822863 525249333 /nfs/dbraw/zinc/24/93/33/525249333.db2.gz SGARMIOBCLYXAG-UHFFFAOYSA-N 0 0 404.397 5.492 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 ZINC000030825860 523229019 /nfs/dbraw/zinc/22/90/19/523229019.db2.gz HPFBMAQHLBJWCE-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nccc2ccccc21 ZINC000030831824 527443515 /nfs/dbraw/zinc/44/35/15/527443515.db2.gz CYNWAYPHSJWPQR-UHFFFAOYSA-N 0 0 414.917 6.548 50 0 HKAARN O=c1c2ccccc2nc(CSc2nc3ccccc3o2)n1-c1ccccc1Cl ZINC000030835792 527465897 /nfs/dbraw/zinc/46/58/97/527465897.db2.gz FKVUQFGRGWFSBS-UHFFFAOYSA-N 0 0 419.893 5.473 50 0 HKAARN COc1ccc2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)cc2c1 ZINC000030836441 558739119 /nfs/dbraw/zinc/73/91/19/558739119.db2.gz REYIHOCLPPCABV-HSZRJFAPSA-N 0 0 415.880 5.668 50 0 HKAARN COc1ccc2nc(Cl)c([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)cc2c1 ZINC000030836444 558739136 /nfs/dbraw/zinc/73/91/36/558739136.db2.gz REYIHOCLPPCABV-QHCPKHFHSA-N 0 0 415.880 5.668 50 0 HKAARN O=C(NCCOc1ccccc1)c1sc2cc(-c3ccccc3)ccc2c1Cl ZINC000030836540 558739155 /nfs/dbraw/zinc/73/91/55/558739155.db2.gz MKVXEAYBZGWSDN-UHFFFAOYSA-N 0 0 407.922 6.031 50 0 HKAARN Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 ZINC000030893475 558744195 /nfs/dbraw/zinc/74/41/95/558744195.db2.gz AQFDDSFBNIQKAC-OAHLLOKOSA-N 0 0 415.522 5.143 50 0 HKAARN Cc1nc(-c2ccc([C@H](C)NC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 ZINC000030893478 558744155 /nfs/dbraw/zinc/74/41/55/558744155.db2.gz AQFDDSFBNIQKAC-HNNXBMFYSA-N 0 0 415.522 5.143 50 0 HKAARN COc1cc(OC)c(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1Cl ZINC000030893553 568900126 /nfs/dbraw/zinc/90/01/26/568900126.db2.gz UWHUQKBHPGQUKJ-UHFFFAOYSA-N 0 0 401.846 5.090 50 0 HKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000030899038 568901458 /nfs/dbraw/zinc/90/14/58/568901458.db2.gz HOOBNLQENPMSLQ-UHFFFAOYSA-N 0 0 423.321 5.481 50 0 HKAARN CCCCc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 ZINC000030934413 558744616 /nfs/dbraw/zinc/74/46/16/558744616.db2.gz VFKWQUWPYJMMGX-QFIPXVFZSA-N 0 0 411.571 5.587 50 0 HKAARN CCCCc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 ZINC000030934415 558744627 /nfs/dbraw/zinc/74/46/27/558744627.db2.gz VFKWQUWPYJMMGX-JOCHJYFZSA-N 0 0 411.571 5.587 50 0 HKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 ZINC000030947709 558746772 /nfs/dbraw/zinc/74/67/72/558746772.db2.gz HKFVOPJYKIRJRD-GOSISDBHSA-N 0 0 417.505 6.148 50 0 HKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 ZINC000030947712 558746718 /nfs/dbraw/zinc/74/67/18/558746718.db2.gz HKFVOPJYKIRJRD-SFHVURJKSA-N 0 0 417.505 6.148 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccco2)c2c(c1)Oc1ccccc1CC2)c1ccco1 ZINC000030947716 558746775 /nfs/dbraw/zinc/74/67/75/558746775.db2.gz OHDSHKVKFKDVTH-UHFFFAOYSA-N 0 0 414.417 5.268 50 0 HKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccccn2)cc1 ZINC000030947775 558746697 /nfs/dbraw/zinc/74/66/97/558746697.db2.gz BLALMOQIRJRYEQ-UHFFFAOYSA-N 0 0 419.937 5.871 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Br)c1C ZINC000030947824 558746706 /nfs/dbraw/zinc/74/67/06/558746706.db2.gz VTIPBQGJHMXUEP-NRFANRHFSA-N 0 0 407.311 5.837 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Br)c1C ZINC000030947826 558746714 /nfs/dbraw/zinc/74/67/14/558746714.db2.gz VTIPBQGJHMXUEP-OAQYLSRUSA-N 0 0 407.311 5.837 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccccc1 ZINC000030947954 132498034 /nfs/dbraw/zinc/49/80/34/132498034.db2.gz FTLKOZIGQQXNRE-JOCHJYFZSA-N 0 0 419.406 6.025 50 0 HKAARN O=C1c2cc3ccccc3nc2N[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccccc1 ZINC000030947956 132498065 /nfs/dbraw/zinc/49/80/65/132498065.db2.gz FTLKOZIGQQXNRE-QFIPXVFZSA-N 0 0 419.406 6.025 50 0 HKAARN CCOc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1O ZINC000030952924 558746902 /nfs/dbraw/zinc/74/69/02/558746902.db2.gz OEQOBAVXCQOUOL-GOSISDBHSA-N 0 0 420.694 5.043 50 0 HKAARN CCOc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1O ZINC000030952926 558747011 /nfs/dbraw/zinc/74/70/11/558747011.db2.gz OEQOBAVXCQOUOL-SFHVURJKSA-N 0 0 420.694 5.043 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1 ZINC000030952939 558746895 /nfs/dbraw/zinc/74/68/95/558746895.db2.gz PUWKJKIXARTNCM-CYBMUJFWSA-N 0 0 415.276 5.025 50 0 HKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1 ZINC000030952941 558746922 /nfs/dbraw/zinc/74/69/22/558746922.db2.gz PUWKJKIXARTNCM-ZDUSSCGKSA-N 0 0 415.276 5.025 50 0 HKAARN COC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2 ZINC000030952970 558746918 /nfs/dbraw/zinc/74/69/18/558746918.db2.gz GHABXFGPMPHYBA-UHFFFAOYSA-N 0 0 403.931 5.127 50 0 HKAARN CN(CCOC12CC3CC(CC(C3)C1)C2)C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000030953035 558746969 /nfs/dbraw/zinc/74/69/69/558746969.db2.gz MMGFKHHBHVHKQM-UHFFFAOYSA-N 0 0 416.005 5.596 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000030965115 568906269 /nfs/dbraw/zinc/90/62/69/568906269.db2.gz RSCPKONPOGGAFT-FQEVSTJZSA-N 0 0 410.304 5.584 50 0 HKAARN Cc1cc2occ(CC(=O)NCc3ccc(NC(=O)C4CC4)cc3)c2cc1C(C)C ZINC000030966131 558747149 /nfs/dbraw/zinc/74/71/49/558747149.db2.gz CDWPTQAVNQDJNQ-UHFFFAOYSA-N 0 0 404.510 5.072 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](c4ccccc4)C4CC4)cc3)o2)c1 ZINC000030983502 568907707 /nfs/dbraw/zinc/90/77/07/568907707.db2.gz KMMUIWOGYUOFJT-HSZRJFAPSA-N 0 0 409.489 5.593 50 0 HKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](c4ccccc4)C4CC4)cc3)o2)c1 ZINC000030983505 568907691 /nfs/dbraw/zinc/90/76/91/568907691.db2.gz KMMUIWOGYUOFJT-QHCPKHFHSA-N 0 0 409.489 5.593 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000030990291 568907892 /nfs/dbraw/zinc/90/78/92/568907892.db2.gz GPHKWGUOKYEEOU-UHFFFAOYSA-N 0 0 414.484 5.020 50 0 HKAARN CCOc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000030996944 568908044 /nfs/dbraw/zinc/90/80/44/568908044.db2.gz PNSUTKUTINMLGF-UHFFFAOYSA-N 0 0 406.429 5.409 50 0 HKAARN O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)C1CC1 ZINC000031068827 558970614 /nfs/dbraw/zinc/97/06/14/558970614.db2.gz QVQRXQDSFLJGQH-UHFFFAOYSA-N 0 0 415.150 5.078 50 0 HKAARN O=C(Nc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1Cl)c1cccs1 ZINC000031069204 568911890 /nfs/dbraw/zinc/91/18/90/568911890.db2.gz QLOVEGDELNQCKY-UHFFFAOYSA-N 0 0 410.926 5.459 50 0 HKAARN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031070924 568912142 /nfs/dbraw/zinc/91/21/42/568912142.db2.gz YPOOOBIOCDKVPO-UHFFFAOYSA-N 0 0 413.546 5.431 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)N(Cc3ccccc3)C3CC3)c2oc1-c1ccccc1 ZINC000031097006 568913059 /nfs/dbraw/zinc/91/30/59/568913059.db2.gz ASTKFGSVJOSPLW-UHFFFAOYSA-N 0 0 409.485 5.573 50 0 HKAARN O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)s1)c1ccco1 ZINC000031097931 527162801 /nfs/dbraw/zinc/16/28/01/527162801.db2.gz DWHGEFXEXXWXJK-UHFFFAOYSA-N 0 0 409.511 5.226 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)cs1 ZINC000031111242 568914405 /nfs/dbraw/zinc/91/44/05/568914405.db2.gz GYOPUDYHECMDGW-UHFFFAOYSA-N 0 0 406.576 5.673 50 0 HKAARN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000031128346 568914660 /nfs/dbraw/zinc/91/46/60/568914660.db2.gz KJKKZBOOVAPXHT-MRXNPFEDSA-N 0 0 420.440 5.159 50 0 HKAARN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031128349 568914942 /nfs/dbraw/zinc/91/49/42/568914942.db2.gz KJKKZBOOVAPXHT-INIZCTEOSA-N 0 0 420.440 5.159 50 0 HKAARN CCOc1ccc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OCC ZINC000031182991 568917897 /nfs/dbraw/zinc/91/78/97/568917897.db2.gz AFLZEIAAYOLPIP-UHFFFAOYSA-N 0 0 411.527 5.235 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1coc(Br)c1 ZINC000031183565 568918108 /nfs/dbraw/zinc/91/81/08/568918108.db2.gz VGDAYKKCIIRJML-UHFFFAOYSA-N 0 0 417.206 5.437 50 0 HKAARN Cc1nc2c3ccccc3nc(S[C@H](C)c3nc4ccccc4n3C(F)F)n2n1 ZINC000031185302 568918107 /nfs/dbraw/zinc/91/81/07/568918107.db2.gz NDIAUYYKFROHQV-LLVKDONJSA-N 0 0 410.453 5.184 50 0 HKAARN Cc1nc2c3ccccc3nc(S[C@@H](C)c3nc4ccccc4n3C(F)F)n2n1 ZINC000031185306 568918123 /nfs/dbraw/zinc/91/81/23/568918123.db2.gz NDIAUYYKFROHQV-NSHDSACASA-N 0 0 410.453 5.184 50 0 HKAARN COc1cc2c(cc1OC)CN(C(=O)/C(=C/c1cccc(C)c1)c1cccs1)CC2 ZINC000031240017 568920458 /nfs/dbraw/zinc/92/04/58/568920458.db2.gz MBFORBZCWNYNLN-FYJGNVAPSA-N 0 0 419.546 5.199 50 0 HKAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1c2ccccc2Oc2ccccc21 ZINC000031264576 568920993 /nfs/dbraw/zinc/92/09/93/568920993.db2.gz QJOYDRAMMKKQSU-IBGZPJMESA-N 0 0 401.462 5.121 50 0 HKAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1c2ccccc2Oc2ccccc21 ZINC000031264578 568921072 /nfs/dbraw/zinc/92/10/72/568921072.db2.gz QJOYDRAMMKKQSU-LJQANCHMSA-N 0 0 401.462 5.121 50 0 HKAARN CCn1c2ccc(C(=O)Nc3ccccc3Oc3ccc(C)cc3)cc2nc(C)c1=O ZINC000031296601 568922439 /nfs/dbraw/zinc/92/24/39/568922439.db2.gz AFEHFXDMENIUNI-UHFFFAOYSA-N 0 0 413.477 5.078 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000031297197 568922413 /nfs/dbraw/zinc/92/24/13/568922413.db2.gz ZGSVIOMVTBBYSF-UHFFFAOYSA-N 0 0 422.535 5.409 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000031297357 568922448 /nfs/dbraw/zinc/92/24/48/568922448.db2.gz PVKMWKBTJBGYQE-QHCPKHFHSA-N 0 0 416.477 5.157 50 0 HKAARN Cc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000031297359 568922418 /nfs/dbraw/zinc/92/24/18/568922418.db2.gz PVKMWKBTJBGYQE-HSZRJFAPSA-N 0 0 416.477 5.157 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031318066 568922935 /nfs/dbraw/zinc/92/29/35/568922935.db2.gz AHMRTUFRRORGCL-UHFFFAOYSA-N 0 0 420.456 5.464 50 0 HKAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)-c2nc3cccc4cccc(c43)n21 ZINC000031319582 558749324 /nfs/dbraw/zinc/74/93/24/558749324.db2.gz UBZVRROHBDDCQY-UHFFFAOYSA-N 0 0 408.071 6.472 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000031366131 568924982 /nfs/dbraw/zinc/92/49/82/568924982.db2.gz DRWDKKWBKGSWCG-UHFFFAOYSA-N 0 0 405.523 5.643 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000031381830 568925163 /nfs/dbraw/zinc/92/51/63/568925163.db2.gz AKYNKTYYJQFLDG-QGZVFWFLSA-N 0 0 413.546 5.464 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000031381834 568925113 /nfs/dbraw/zinc/92/51/13/568925113.db2.gz AKYNKTYYJQFLDG-KRWDZBQOSA-N 0 0 413.546 5.464 50 0 HKAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031391180 568925344 /nfs/dbraw/zinc/92/53/44/568925344.db2.gz KZFQBADCLIGHHX-MRXNPFEDSA-N 0 0 411.577 5.388 50 0 HKAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031391185 568925385 /nfs/dbraw/zinc/92/53/85/568925385.db2.gz KZFQBADCLIGHHX-INIZCTEOSA-N 0 0 411.577 5.388 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031393127 568925316 /nfs/dbraw/zinc/92/53/16/568925316.db2.gz PYQGKGRKFUNUMC-GOSISDBHSA-N 0 0 421.497 5.387 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031393132 568925325 /nfs/dbraw/zinc/92/53/25/568925325.db2.gz PYQGKGRKFUNUMC-SFHVURJKSA-N 0 0 421.497 5.387 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031393598 568925420 /nfs/dbraw/zinc/92/54/20/568925420.db2.gz LADFDVSPZDEMQH-MRXNPFEDSA-N 0 0 409.536 5.227 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031393603 568925338 /nfs/dbraw/zinc/92/53/38/568925338.db2.gz LADFDVSPZDEMQH-INIZCTEOSA-N 0 0 409.536 5.227 50 0 HKAARN O=C(c1cc(Br)ccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031393810 568925335 /nfs/dbraw/zinc/92/53/35/568925335.db2.gz DQLWPTRGWMIOSM-OAHLLOKOSA-N 0 0 405.292 5.175 50 0 HKAARN O=C(c1cc(Br)ccc1F)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031393813 568925278 /nfs/dbraw/zinc/92/52/78/568925278.db2.gz DQLWPTRGWMIOSM-HNNXBMFYSA-N 0 0 405.292 5.175 50 0 HKAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031397248 568925388 /nfs/dbraw/zinc/92/53/88/568925388.db2.gz BJYVJXLSWIFHRV-UHFFFAOYSA-N 0 0 423.469 5.088 50 0 HKAARN CC(=O)Nc1ccc(SCC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 ZINC000031398991 568925594 /nfs/dbraw/zinc/92/55/94/568925594.db2.gz VJQKXDLMCOTTOJ-UHFFFAOYSA-N 0 0 424.497 5.094 50 0 HKAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000031404716 568925542 /nfs/dbraw/zinc/92/55/42/568925542.db2.gz GZXRSRIBLDWQIU-MRXNPFEDSA-N 0 0 404.897 5.958 50 0 HKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000031404720 568925556 /nfs/dbraw/zinc/92/55/56/568925556.db2.gz GZXRSRIBLDWQIU-INIZCTEOSA-N 0 0 404.897 5.958 50 0 HKAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000031411760 568925753 /nfs/dbraw/zinc/92/57/53/568925753.db2.gz DIWDUSFVXRJQQH-UHFFFAOYSA-N 0 0 422.497 6.009 50 0 HKAARN Cc1ccc(-c2nc(CSCCCC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000031411868 568925677 /nfs/dbraw/zinc/92/56/77/568925677.db2.gz CSGJCKXAZOGLLR-UHFFFAOYSA-N 0 0 410.608 6.387 50 0 HKAARN Cc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000031411997 568925693 /nfs/dbraw/zinc/92/56/93/568925693.db2.gz VZBOZMPFJDZRBG-OAHLLOKOSA-N 0 0 400.544 5.196 50 0 HKAARN Cc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000031412000 568925755 /nfs/dbraw/zinc/92/57/55/568925755.db2.gz VZBOZMPFJDZRBG-HNNXBMFYSA-N 0 0 400.544 5.196 50 0 HKAARN COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000031413609 568925796 /nfs/dbraw/zinc/92/57/96/568925796.db2.gz XAMRQZKVTWOQAJ-INIZCTEOSA-N 0 0 412.580 5.696 50 0 HKAARN COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000031413612 568925807 /nfs/dbraw/zinc/92/58/07/568925807.db2.gz XAMRQZKVTWOQAJ-MRXNPFEDSA-N 0 0 412.580 5.696 50 0 HKAARN COc1ccc(-c2nc(CSCc3nnc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000031413730 568925679 /nfs/dbraw/zinc/92/56/79/568925679.db2.gz AXMGJANSKIPAMJ-UHFFFAOYSA-N 0 0 413.499 5.441 50 0 HKAARN CC(C)c1ccc(-c2nc(CSCC(=O)NCc3cccs3)cs2)cc1 ZINC000031414348 568925716 /nfs/dbraw/zinc/92/57/16/568925716.db2.gz LXBRWJXIFUBAMI-UHFFFAOYSA-N 0 0 402.610 5.545 50 0 HKAARN CCOc1ccccc1-c1noc(CSCc2coc(-c3ccc(C)cc3)n2)n1 ZINC000031420155 568925981 /nfs/dbraw/zinc/92/59/81/568925981.db2.gz HTRAQRMXLYJBOF-UHFFFAOYSA-N 0 0 407.495 5.532 50 0 HKAARN O=C(CSCc1csc(-c2ccco2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000031420351 568925925 /nfs/dbraw/zinc/92/59/25/568925925.db2.gz NIBJMBKSWMRXIS-UHFFFAOYSA-N 0 0 412.580 5.118 50 0 HKAARN Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)c(Br)c1 ZINC000031420478 568925906 /nfs/dbraw/zinc/92/59/06/568925906.db2.gz SVRFHVMPVVQVPQ-UHFFFAOYSA-N 0 0 423.357 5.346 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccco3)n2)cc1Cl ZINC000031420923 568925958 /nfs/dbraw/zinc/92/59/58/568925958.db2.gz UYSLBGWJLZJOGH-LLVKDONJSA-N 0 0 408.932 5.326 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccco3)n2)cc1Cl ZINC000031420926 568925939 /nfs/dbraw/zinc/92/59/39/568925939.db2.gz UYSLBGWJLZJOGH-NSHDSACASA-N 0 0 408.932 5.326 50 0 HKAARN Cc1ccccc1-c1noc(CSCC(=O)N(Cc2ccccc2)C(C)(C)C)n1 ZINC000031423083 568926084 /nfs/dbraw/zinc/92/60/84/568926084.db2.gz BKOBXCFHXIGSOC-UHFFFAOYSA-N 0 0 409.555 5.106 50 0 HKAARN CC(=O)c1cccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000031423475 568926057 /nfs/dbraw/zinc/92/60/57/568926057.db2.gz WREIYHSRHBDLEQ-UHFFFAOYSA-N 0 0 400.887 5.070 50 0 HKAARN O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl ZINC000031423511 568926080 /nfs/dbraw/zinc/92/60/80/568926080.db2.gz WSJMVNWVUSXUDQ-UHFFFAOYSA-N 0 0 407.322 5.198 50 0 HKAARN Cc1cc(C)c(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000031423581 568926101 /nfs/dbraw/zinc/92/61/01/568926101.db2.gz SZPVYBFRWOHHDY-UHFFFAOYSA-N 0 0 400.931 5.792 50 0 HKAARN CCc1cccc(C)c1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423708 568926113 /nfs/dbraw/zinc/92/61/13/568926113.db2.gz XVEPCCJEVIJARV-UHFFFAOYSA-N 0 0 400.931 5.738 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423730 568926194 /nfs/dbraw/zinc/92/61/94/568926194.db2.gz FOZAHBCFQNUKMD-UHFFFAOYSA-N 0 0 414.958 6.264 50 0 HKAARN Cc1ccc(CNC(=O)[C@@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 ZINC000031423908 568926062 /nfs/dbraw/zinc/92/60/62/568926062.db2.gz VSESQWDWYFTGMO-OAHLLOKOSA-N 0 0 400.931 5.242 50 0 HKAARN Cc1ccc(CNC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 ZINC000031423910 568926173 /nfs/dbraw/zinc/92/61/73/568926173.db2.gz VSESQWDWYFTGMO-HNNXBMFYSA-N 0 0 400.931 5.242 50 0 HKAARN Fc1ccc(-c2nnc(CSCc3coc(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000031423966 568926185 /nfs/dbraw/zinc/92/61/85/568926185.db2.gz RTEQAHXKOSQIDH-UHFFFAOYSA-N 0 0 401.850 5.618 50 0 HKAARN O=C(c1ccc(CSCc2coc(-c3ccc(Cl)cc3)n2)cc1)N1CCCC1 ZINC000031424094 568926096 /nfs/dbraw/zinc/92/60/96/568926096.db2.gz YPIWNJJSDPIQKY-UHFFFAOYSA-N 0 0 412.942 5.664 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H](C)c3cc4ccccc4o3)co2)cc1 ZINC000031433453 568926297 /nfs/dbraw/zinc/92/62/97/568926297.db2.gz IYMGBYPBEQWSMX-HNNXBMFYSA-N 0 0 422.506 5.207 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)N[C@H](C)c3cc4ccccc4o3)co2)cc1 ZINC000031433456 568926396 /nfs/dbraw/zinc/92/63/96/568926396.db2.gz IYMGBYPBEQWSMX-OAHLLOKOSA-N 0 0 422.506 5.207 50 0 HKAARN O[C@@H](CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1F ZINC000031441887 568926566 /nfs/dbraw/zinc/92/65/66/568926566.db2.gz AXUKZWIVUDNEFC-IBGZPJMESA-N 0 0 417.575 5.400 50 0 HKAARN O[C@H](CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1F ZINC000031441890 568926582 /nfs/dbraw/zinc/92/65/82/568926582.db2.gz AXUKZWIVUDNEFC-LJQANCHMSA-N 0 0 417.575 5.400 50 0 HKAARN Cc1sc2nc(SC[C@@H](O)c3ccccc3F)n(C3CCCC3)c(=O)c2c1C ZINC000031444119 568503581 /nfs/dbraw/zinc/50/35/81/568503581.db2.gz FMZICJVTUUIMOR-QGZVFWFLSA-N 0 0 418.559 5.155 50 0 HKAARN Cc1sc2nc(SC[C@H](O)c3ccccc3F)n(C3CCCC3)c(=O)c2c1C ZINC000031444122 568926542 /nfs/dbraw/zinc/92/65/42/568926542.db2.gz FMZICJVTUUIMOR-KRWDZBQOSA-N 0 0 418.559 5.155 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(OCc2ccccn2)c1 ZINC000031453697 568926584 /nfs/dbraw/zinc/92/65/84/568926584.db2.gz UKVAAYOXGIEWMN-UHFFFAOYSA-N 0 0 417.440 5.026 50 0 HKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000031456122 568926515 /nfs/dbraw/zinc/92/65/15/568926515.db2.gz 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Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2Br)o1 ZINC000031671132 568928995 /nfs/dbraw/zinc/92/89/95/568928995.db2.gz RQGABMKHKLHAMW-UHFFFAOYSA-N 0 0 412.243 5.042 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cccc(C(F)(F)F)c2)o1 ZINC000031679889 568837640 /nfs/dbraw/zinc/83/76/40/568837640.db2.gz RUOYQOWVFSOILN-UHFFFAOYSA-N 0 0 401.344 5.298 50 0 HKAARN CC(C)c1noc([C@@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000031697125 568929241 /nfs/dbraw/zinc/92/92/41/568929241.db2.gz IQXQETWYKKZPFJ-GFCCVEGCSA-N 0 0 412.540 5.022 50 0 HKAARN CC(C)c1noc([C@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000031697129 568929301 /nfs/dbraw/zinc/92/93/01/568929301.db2.gz IQXQETWYKKZPFJ-LBPRGKRZSA-N 0 0 412.540 5.022 50 0 HKAARN C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(C(F)(F)F)c1 ZINC000031698311 568929244 /nfs/dbraw/zinc/92/92/44/568929244.db2.gz NTIAQVDICRFWIX-GFCCVEGCSA-N 0 0 409.433 5.017 50 0 HKAARN C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(C(F)(F)F)c1 ZINC000031698315 568929211 /nfs/dbraw/zinc/92/92/11/568929211.db2.gz NTIAQVDICRFWIX-LBPRGKRZSA-N 0 0 409.433 5.017 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)Cc1csc(C(C)C)n1 ZINC000031702779 568838429 /nfs/dbraw/zinc/83/84/29/568838429.db2.gz OYRQCQUUWORTQU-UHFFFAOYSA-N 0 0 408.502 5.210 50 0 HKAARN CC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1cccc(C)c1C ZINC000031705280 568929440 /nfs/dbraw/zinc/92/94/40/568929440.db2.gz MAZUFRMQTBRFEE-UHFFFAOYSA-N 0 0 420.494 5.074 50 0 HKAARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000031712048 568929384 /nfs/dbraw/zinc/92/93/84/568929384.db2.gz AQPQKUWKBABQAZ-QMTHXVAHSA-N 0 0 400.302 5.253 50 0 HKAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000031712051 568929389 /nfs/dbraw/zinc/92/93/89/568929389.db2.gz AQPQKUWKBABQAZ-IINYFYTJSA-N 0 0 400.302 5.253 50 0 HKAARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000031712054 568929349 /nfs/dbraw/zinc/92/93/49/568929349.db2.gz AQPQKUWKBABQAZ-YGRLFVJLSA-N 0 0 400.302 5.253 50 0 HKAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000031712057 568929409 /nfs/dbraw/zinc/92/94/09/568929409.db2.gz AQPQKUWKBABQAZ-HZMBPMFUSA-N 0 0 400.302 5.253 50 0 HKAARN C(=C\c1nc2ccccc2nc1/C=C\c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 ZINC000031719755 568929641 /nfs/dbraw/zinc/92/96/41/568929641.db2.gz XKMWKAGCTDZLLN-OZDSWYPASA-N 0 0 422.440 5.428 50 0 HKAARN CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000031734291 568929947 /nfs/dbraw/zinc/92/99/47/568929947.db2.gz SFUWBWIHMYTIAS-UHFFFAOYSA-N 0 0 418.324 5.376 50 0 HKAARN CC(C)c1ccc(-c2nc(Cn3cnc4c5ccccc5oc4c3=O)cs2)cc1 ZINC000031744324 568929956 /nfs/dbraw/zinc/92/99/56/568929956.db2.gz ILJKONUBOVKJQS-UHFFFAOYSA-N 0 0 401.491 5.438 50 0 HKAARN Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000031744690 568930072 /nfs/dbraw/zinc/93/00/72/568930072.db2.gz LHQAJWPPDFSDBL-UHFFFAOYSA-N 0 0 409.917 5.086 50 0 HKAARN O=c1nc(SCc2ccc(Cl)nc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000031755640 568505029 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Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1nc(-c2cccs2)no1 ZINC000031812407 526994169 /nfs/dbraw/zinc/99/41/69/526994169.db2.gz BTZLJFDRRSICDA-UHFFFAOYSA-N 0 0 402.888 5.136 50 0 HKAARN CCCOc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 ZINC000031812490 520473723 /nfs/dbraw/zinc/47/37/23/520473723.db2.gz CXKVPTRVAWOOAG-UHFFFAOYSA-N 0 0 420.494 5.210 50 0 HKAARN O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1ccc(Br)cc1 ZINC000031813516 527212420 /nfs/dbraw/zinc/21/24/20/527212420.db2.gz UGZOQJKBUVMSNF-UHFFFAOYSA-N 0 0 405.198 5.167 50 0 HKAARN Cc1nc(NC(=O)c2cccc3ccccc32)sc1-c1nc(-c2cccs2)no1 ZINC000031813635 526993442 /nfs/dbraw/zinc/99/34/42/526993442.db2.gz FUJLXIPXCBMIGS-UHFFFAOYSA-N 0 0 418.503 5.636 50 0 HKAARN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031813736 526992316 /nfs/dbraw/zinc/99/23/16/526992316.db2.gz IMTQLGUZSPOZAX-UHFFFAOYSA-N 0 0 414.849 5.213 50 0 HKAARN Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2ccccc2)no1 ZINC000031814274 526992346 /nfs/dbraw/zinc/99/23/46/526992346.db2.gz 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CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 ZINC000032072284 520870736 /nfs/dbraw/zinc/87/07/36/520870736.db2.gz IIUSVQMRFFHBSO-UHFFFAOYSA-N 0 0 403.438 5.027 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2sc(C(=O)Nc3ccc(C)cc3)c(C)c21 ZINC000032072387 524750369 /nfs/dbraw/zinc/75/03/69/524750369.db2.gz UMSDOZQWNLJSDT-KRWDZBQOSA-N 0 0 406.507 5.749 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2sc(C(=O)Nc3ccc(C)cc3)c(C)c21 ZINC000032072390 524805622 /nfs/dbraw/zinc/80/56/22/524805622.db2.gz UMSDOZQWNLJSDT-QGZVFWFLSA-N 0 0 406.507 5.749 50 0 HKAARN O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1sc2ccccc2c1Cl ZINC000032073170 526647901 /nfs/dbraw/zinc/64/79/01/526647901.db2.gz HAENLSGUIZQYJK-UHFFFAOYSA-N 0 0 419.893 5.688 50 0 HKAARN Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000032073667 526979429 /nfs/dbraw/zinc/97/94/29/526979429.db2.gz ZNNYIPUPATYUNJ-UHFFFAOYSA-N 0 0 416.915 5.065 50 0 HKAARN CC(=O)N(CCC1(Cc2ccc(Cl)cc2)CCCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000032073891 519463872 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Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000032089290 525662158 /nfs/dbraw/zinc/66/21/58/525662158.db2.gz RQXFOYWBVSRVNA-ZDUSSCGKSA-N 0 0 416.424 5.850 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000032089292 525661531 /nfs/dbraw/zinc/66/15/31/525661531.db2.gz RQXFOYWBVSRVNA-CYBMUJFWSA-N 0 0 416.424 5.850 50 0 HKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(-c2ccccc2)cc1 ZINC000032089311 527141772 /nfs/dbraw/zinc/14/17/72/527141772.db2.gz ZMXWWNZQGRHDKR-UHFFFAOYSA-N 0 0 407.429 5.515 50 0 HKAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032089518 525540510 /nfs/dbraw/zinc/54/05/10/525540510.db2.gz RIHMUBHOLMOOIQ-QFIPXVFZSA-N 0 0 417.553 5.214 50 0 HKAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032089521 525541627 /nfs/dbraw/zinc/54/16/27/525541627.db2.gz RIHMUBHOLMOOIQ-JOCHJYFZSA-N 0 0 417.553 5.214 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1cccc(Cl)c1 ZINC000032089630 522925932 /nfs/dbraw/zinc/92/59/32/522925932.db2.gz OYWLQGDEXICUEJ-AWEZNQCLSA-N 0 0 415.902 5.090 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OCc1cccc(Cl)c1 ZINC000032089633 522961148 /nfs/dbraw/zinc/96/11/48/522961148.db2.gz OYWLQGDEXICUEJ-CQSZACIVSA-N 0 0 415.902 5.090 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2cc(-c3ccc(F)cc3)nn21 ZINC000032089718 527184219 /nfs/dbraw/zinc/18/42/19/527184219.db2.gz MKLWXHSGIWYUFG-INIZCTEOSA-N 0 0 419.243 5.168 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2cc(-c3ccc(F)cc3)nn21 ZINC000032089721 527184077 /nfs/dbraw/zinc/18/40/77/527184077.db2.gz MKLWXHSGIWYUFG-MRXNPFEDSA-N 0 0 419.243 5.168 50 0 HKAARN O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccc(Br)o1 ZINC000032090167 527099983 /nfs/dbraw/zinc/09/99/83/527099983.db2.gz ZPWBHFSMMFEOOC-UHFFFAOYSA-N 0 0 418.634 5.151 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1Cl ZINC000032091071 525507271 /nfs/dbraw/zinc/50/72/71/525507271.db2.gz WDOZIEUEYYAISH-INIZCTEOSA-N 0 0 415.280 5.337 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1Cl ZINC000032091074 525506337 /nfs/dbraw/zinc/50/63/37/525506337.db2.gz WDOZIEUEYYAISH-MRXNPFEDSA-N 0 0 415.280 5.337 50 0 HKAARN Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccccc1Cl ZINC000032091120 526888031 /nfs/dbraw/zinc/88/80/31/526888031.db2.gz LHODGGAUYXRVLJ-UHFFFAOYSA-N 0 0 420.925 5.091 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4C)c(C)c32)c1 ZINC000032091244 524114836 /nfs/dbraw/zinc/11/48/36/524114836.db2.gz LWIHOXOZMPQXJM-KRWDZBQOSA-N 0 0 406.507 5.749 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4C)c(C)c32)c1 ZINC000032091247 524175344 /nfs/dbraw/zinc/17/53/44/524175344.db2.gz LWIHOXOZMPQXJM-QGZVFWFLSA-N 0 0 406.507 5.749 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000032091451 525660588 /nfs/dbraw/zinc/66/05/88/525660588.db2.gz OIKGVINVSTYPNV-ZDUSSCGKSA-N 0 0 414.889 6.225 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccccc1Cl)CC(=O)N2 ZINC000032091454 525660925 /nfs/dbraw/zinc/66/09/25/525660925.db2.gz OIKGVINVSTYPNV-CYBMUJFWSA-N 0 0 414.889 6.225 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC ZINC000032091705 524113795 /nfs/dbraw/zinc/11/37/95/524113795.db2.gz RAIYZXGGAFCVEV-AWEZNQCLSA-N 0 0 400.887 5.604 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC ZINC000032091707 524175334 /nfs/dbraw/zinc/17/53/34/524175334.db2.gz RAIYZXGGAFCVEV-CQSZACIVSA-N 0 0 400.887 5.604 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)c1 ZINC000032091971 524113923 /nfs/dbraw/zinc/11/39/23/524113923.db2.gz ADMIHLWWCNSHKL-SFHVURJKSA-N 0 0 406.507 5.749 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)c1 ZINC000032091974 524175649 /nfs/dbraw/zinc/17/56/49/524175649.db2.gz ADMIHLWWCNSHKL-GOSISDBHSA-N 0 0 406.507 5.749 50 0 HKAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl ZINC000032092157 527311455 /nfs/dbraw/zinc/31/14/55/527311455.db2.gz XYYDHVWYWHSEDO-UHFFFAOYSA-N 0 0 405.866 6.010 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2sc(C(=O)Nc3cccc(C)c3)c(C)c21 ZINC000032093247 524748992 /nfs/dbraw/zinc/74/89/92/524748992.db2.gz LNECLSLAIJLZDF-KRWDZBQOSA-N 0 0 406.507 5.749 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2sc(C(=O)Nc3cccc(C)c3)c(C)c21 ZINC000032093249 524805607 /nfs/dbraw/zinc/80/56/07/524805607.db2.gz LNECLSLAIJLZDF-QGZVFWFLSA-N 0 0 406.507 5.749 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1cccc(Cl)c1 ZINC000032093440 525238457 /nfs/dbraw/zinc/23/84/57/525238457.db2.gz ZKKNHZHIBTWXTD-AWEZNQCLSA-N 0 0 415.902 5.090 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1cccc(Cl)c1 ZINC000032093442 525405052 /nfs/dbraw/zinc/40/50/52/525405052.db2.gz ZKKNHZHIBTWXTD-CQSZACIVSA-N 0 0 415.902 5.090 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccc(Cl)cc1 ZINC000032093495 525238434 /nfs/dbraw/zinc/23/84/34/525238434.db2.gz LVJHGXNWQUZVPH-AWEZNQCLSA-N 0 0 415.902 5.090 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccc(Cl)cc1 ZINC000032093497 525404468 /nfs/dbraw/zinc/40/44/68/525404468.db2.gz LVJHGXNWQUZVPH-CQSZACIVSA-N 0 0 415.902 5.090 50 0 HKAARN COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000032093747 521748412 /nfs/dbraw/zinc/74/84/12/521748412.db2.gz NOPNTKBBQXQAPO-INIZCTEOSA-N 0 0 415.276 5.168 50 0 HKAARN CC(=O)[C@@H](C)Oc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 ZINC000032094204 519760770 /nfs/dbraw/zinc/76/07/70/519760770.db2.gz QSXAOOARIMDWDL-CYBMUJFWSA-N 0 0 409.438 5.079 50 0 HKAARN CC(=O)[C@H](C)Oc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 ZINC000032094206 518215574 /nfs/dbraw/zinc/21/55/74/518215574.db2.gz QSXAOOARIMDWDL-ZDUSSCGKSA-N 0 0 409.438 5.079 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1 ZINC000032094316 525239289 /nfs/dbraw/zinc/23/92/89/525239289.db2.gz YIVCXUBZXPKWBP-HNNXBMFYSA-N 0 0 410.470 5.580 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1 ZINC000032094318 525405438 /nfs/dbraw/zinc/40/54/38/525405438.db2.gz YIVCXUBZXPKWBP-OAHLLOKOSA-N 0 0 410.470 5.580 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2sc(C(=O)Nc3ccc(F)cc3)c(C)c21 ZINC000032094376 524749875 /nfs/dbraw/zinc/74/98/75/524749875.db2.gz PFQKQPBOLYXCFL-INIZCTEOSA-N 0 0 410.470 5.580 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2sc(C(=O)Nc3ccc(F)cc3)c(C)c21 ZINC000032094378 524805110 /nfs/dbraw/zinc/80/51/10/524805110.db2.gz PFQKQPBOLYXCFL-MRXNPFEDSA-N 0 0 410.470 5.580 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1 ZINC000032094383 524200208 /nfs/dbraw/zinc/20/02/08/524200208.db2.gz VICLOHYVKAPVPS-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000032094414 527417277 /nfs/dbraw/zinc/41/72/77/527417277.db2.gz PKQHWVKKGNLDRT-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000032094416 527417809 /nfs/dbraw/zinc/41/78/09/527417809.db2.gz PKQHWVKKGNLDRT-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl ZINC000032094614 527235485 /nfs/dbraw/zinc/23/54/85/527235485.db2.gz DEHLRSDEJPXHCW-UHFFFAOYSA-N 0 0 421.865 5.716 50 0 HKAARN CC(C)c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000032095441 519831502 /nfs/dbraw/zinc/83/15/02/519831502.db2.gz MOXIRFIJSANRGB-UHFFFAOYSA-N 0 0 408.929 5.135 50 0 HKAARN CC(C)Oc1cccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)c1 ZINC000032096080 519782593 /nfs/dbraw/zinc/78/25/93/519782593.db2.gz ROALJESILCXOQC-UHFFFAOYSA-N 0 0 407.857 5.583 50 0 HKAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000032096098 523234688 /nfs/dbraw/zinc/23/46/88/523234688.db2.gz FBYRPSYEWXCBFV-UHFFFAOYSA-N 0 0 414.248 5.458 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Cl)c(Cl)c1 ZINC000032096318 527235546 /nfs/dbraw/zinc/23/55/46/527235546.db2.gz OFQHXZKHOIWJBB-UHFFFAOYSA-N 0 0 400.221 5.155 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1C ZINC000032096512 525507502 /nfs/dbraw/zinc/50/75/02/525507502.db2.gz XMXOWWDGJBVAIL-SFHVURJKSA-N 0 0 408.889 5.300 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(C)cc1C ZINC000032096514 525505673 /nfs/dbraw/zinc/50/56/73/525505673.db2.gz XMXOWWDGJBVAIL-GOSISDBHSA-N 0 0 408.889 5.300 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000032096567 525508590 /nfs/dbraw/zinc/50/85/90/525508590.db2.gz ARJPMUVZOWIHIU-INIZCTEOSA-N 0 0 415.280 5.337 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 ZINC000032096569 525509542 /nfs/dbraw/zinc/50/95/42/525509542.db2.gz ARJPMUVZOWIHIU-MRXNPFEDSA-N 0 0 415.280 5.337 50 0 HKAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)cc1 ZINC000032096725 519778857 /nfs/dbraw/zinc/77/88/57/519778857.db2.gz WTFNZNYFTFCJGR-UHFFFAOYSA-N 0 0 407.857 5.583 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@H](c1c(F)cccc1F)CC(=O)N2 ZINC000032096865 525661916 /nfs/dbraw/zinc/66/19/16/525661916.db2.gz OPTMCNSTRSJYKL-CYBMUJFWSA-N 0 0 412.461 6.019 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000032096867 525661996 /nfs/dbraw/zinc/66/19/96/525661996.db2.gz OPTMCNSTRSJYKL-ZDUSSCGKSA-N 0 0 412.461 6.019 50 0 HKAARN CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000032096990 519462602 /nfs/dbraw/zinc/46/26/02/519462602.db2.gz QTDJRNMXMWGMNJ-DHIUTWEWSA-N 0 0 417.952 5.807 50 0 HKAARN CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000032096992 519462673 /nfs/dbraw/zinc/46/26/73/519462673.db2.gz QTDJRNMXMWGMNJ-PKTZIBPZSA-N 0 0 417.952 5.807 50 0 HKAARN CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000032096994 519463863 /nfs/dbraw/zinc/46/38/63/519463863.db2.gz QTDJRNMXMWGMNJ-XZOQPEGZSA-N 0 0 417.952 5.807 50 0 HKAARN CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000032096996 519463479 /nfs/dbraw/zinc/46/34/79/519463479.db2.gz QTDJRNMXMWGMNJ-GOTSBHOMSA-N 0 0 417.952 5.807 50 0 HKAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2)n1C1CCCCC1 ZINC000032097151 527514898 /nfs/dbraw/zinc/51/48/98/527514898.db2.gz IGMAIRKWPBPFOK-NRFANRHFSA-N 0 0 418.566 6.145 50 0 HKAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2)n1C1CCCCC1 ZINC000032097153 527515318 /nfs/dbraw/zinc/51/53/18/527515318.db2.gz IGMAIRKWPBPFOK-OAQYLSRUSA-N 0 0 418.566 6.145 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1Cl ZINC000032100416 522811869 /nfs/dbraw/zinc/81/18/69/522811869.db2.gz HUGLFCJXRKROIR-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000032101150 521102021 /nfs/dbraw/zinc/10/20/21/521102021.db2.gz STZZQKKLSGKZSJ-SFHVURJKSA-N 0 0 424.888 5.082 50 0 HKAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000032101153 521110513 /nfs/dbraw/zinc/11/05/13/521110513.db2.gz STZZQKKLSGKZSJ-GOSISDBHSA-N 0 0 424.888 5.082 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1Cl ZINC000032102083 522811283 /nfs/dbraw/zinc/81/12/83/522811283.db2.gz SOLMDEZJBYBICC-UHFFFAOYSA-N 0 0 419.868 5.220 50 0 HKAARN CC(C)(C)[C@@H](CCN(C(=O)c1cccs1)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032102099 518913854 /nfs/dbraw/zinc/91/38/54/518913854.db2.gz AUESBSUVHLLSKA-ROUUACIJSA-N 0 0 403.588 5.961 50 0 HKAARN CC(C)(C)[C@@H](CCN(C(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032102101 518914477 /nfs/dbraw/zinc/91/44/77/518914477.db2.gz AUESBSUVHLLSKA-MSOLQXFVSA-N 0 0 403.588 5.961 50 0 HKAARN CC(C)(C)[C@H](CCN(C(=O)c1cccs1)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032102103 518954072 /nfs/dbraw/zinc/95/40/72/518954072.db2.gz AUESBSUVHLLSKA-ZWKOTPCHSA-N 0 0 403.588 5.961 50 0 HKAARN CC(C)(C)[C@H](CCN(C(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000032102105 518954886 /nfs/dbraw/zinc/95/48/86/518954886.db2.gz AUESBSUVHLLSKA-QZTJIDSGSA-N 0 0 403.588 5.961 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000032102512 525662091 /nfs/dbraw/zinc/66/20/91/525662091.db2.gz GYGVHARTPUHBOA-AWEZNQCLSA-N 0 0 414.889 6.225 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000032102514 525661106 /nfs/dbraw/zinc/66/11/06/525661106.db2.gz GYGVHARTPUHBOA-CQSZACIVSA-N 0 0 414.889 6.225 50 0 HKAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)n1 ZINC000032103189 526392414 /nfs/dbraw/zinc/39/24/14/526392414.db2.gz DGRSBDWODGSFBY-FQEVSTJZSA-N 0 0 423.582 5.275 50 0 HKAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)n1 ZINC000032103191 526392003 /nfs/dbraw/zinc/39/20/03/526392003.db2.gz DGRSBDWODGSFBY-HXUWFJFHSA-N 0 0 423.582 5.275 50 0 HKAARN CCC(=O)N(CC[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)Cc1ccco1 ZINC000032103670 521090027 /nfs/dbraw/zinc/09/00/27/521090027.db2.gz IJQLQFFYUMFYHZ-HSZRJFAPSA-N 0 0 403.950 5.589 50 0 HKAARN CCC(=O)N(CC[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)Cc1ccco1 ZINC000032103673 521089681 /nfs/dbraw/zinc/08/96/81/521089681.db2.gz IJQLQFFYUMFYHZ-QHCPKHFHSA-N 0 0 403.950 5.589 50 0 HKAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000032103730 523233007 /nfs/dbraw/zinc/23/30/07/523233007.db2.gz RHCDWJVJMAQIBD-UHFFFAOYSA-N 0 0 413.477 5.349 50 0 HKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000032103782 523060877 /nfs/dbraw/zinc/06/08/77/523060877.db2.gz VUIUFIMORRSWQR-UHFFFAOYSA-N 0 0 411.417 5.010 50 0 HKAARN O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032103909 527428638 /nfs/dbraw/zinc/42/86/38/527428638.db2.gz DZKHDPKKUSKBOV-QHCPKHFHSA-N 0 0 418.537 5.216 50 0 HKAARN O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032103911 527429151 /nfs/dbraw/zinc/42/91/51/527429151.db2.gz DZKHDPKKUSKBOV-HSZRJFAPSA-N 0 0 418.537 5.216 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)c1 ZINC000032104298 525706240 /nfs/dbraw/zinc/70/62/40/525706240.db2.gz VXDYZCXUQJGNPK-UHFFFAOYSA-N 0 0 411.461 5.121 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1c(F)cccc1F)CC(=O)N2 ZINC000032104374 525661610 /nfs/dbraw/zinc/66/16/10/525661610.db2.gz HOVRZLHDYLCVCU-LLVKDONJSA-N 0 0 416.424 5.850 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000032104376 525661546 /nfs/dbraw/zinc/66/15/46/525661546.db2.gz HOVRZLHDYLCVCU-NSHDSACASA-N 0 0 416.424 5.850 50 0 HKAARN Fc1ccc(-c2noc3cc(OCc4cc(Cl)cc5c4OCOC5)ccc32)cc1 ZINC000032104577 526319187 /nfs/dbraw/zinc/31/91/87/526319187.db2.gz HFJHYYWKEQVTSV-UHFFFAOYSA-N 0 0 411.816 5.733 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000032104611 525506501 /nfs/dbraw/zinc/50/65/01/525506501.db2.gz LPFQIPUNKPBYKF-INIZCTEOSA-N 0 0 415.280 5.337 50 0 HKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 ZINC000032104612 525507234 /nfs/dbraw/zinc/50/72/34/525507234.db2.gz LPFQIPUNKPBYKF-MRXNPFEDSA-N 0 0 415.280 5.337 50 0 HKAARN O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000032105075 526648230 /nfs/dbraw/zinc/64/82/30/526648230.db2.gz HALRMNQYRSNJAM-UHFFFAOYSA-N 0 0 405.457 5.487 50 0 HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2sc(C(=O)Nc3ccccc3C)c(C)c21 ZINC000032105459 524748855 /nfs/dbraw/zinc/74/88/55/524748855.db2.gz ZASGWNQAPFXZEF-INIZCTEOSA-N 0 0 406.507 5.749 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2sc(C(=O)Nc3ccccc3C)c(C)c21 ZINC000032105462 524807319 /nfs/dbraw/zinc/80/73/19/524807319.db2.gz ZASGWNQAPFXZEF-MRXNPFEDSA-N 0 0 406.507 5.749 50 0 HKAARN O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)C(c1ccccc1)c1ccccc1 ZINC000032105529 526648454 /nfs/dbraw/zinc/64/84/54/526648454.db2.gz AYMRFNXWBXKJOP-UHFFFAOYSA-N 0 0 419.484 5.338 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2cc(-c3ccc(F)cc3)nn21 ZINC000032105732 527346069 /nfs/dbraw/zinc/34/60/69/527346069.db2.gz GELXXCNBBWVIBY-HNNXBMFYSA-N 0 0 419.243 5.168 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2cc(-c3ccc(F)cc3)nn21 ZINC000032105735 527346241 /nfs/dbraw/zinc/34/62/41/527346241.db2.gz GELXXCNBBWVIBY-OAHLLOKOSA-N 0 0 419.243 5.168 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 ZINC000032105944 520901716 /nfs/dbraw/zinc/90/17/16/520901716.db2.gz LVBFVJUCPGTHTK-UHFFFAOYSA-N 0 0 403.438 5.027 50 0 HKAARN O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)C1(c2ccccc2)CCCC1 ZINC000032106243 527099633 /nfs/dbraw/zinc/09/96/33/527099633.db2.gz PGBBDUSOPGKRNM-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)C(c1ccccc1)c1ccccc1 ZINC000032106251 527235512 /nfs/dbraw/zinc/23/55/12/527235512.db2.gz RCWQNGHQIJQPNY-UHFFFAOYSA-N 0 0 421.456 5.366 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1Cl ZINC000032106559 525508626 /nfs/dbraw/zinc/50/86/26/525508626.db2.gz SPUMZPOMDRYNLM-INIZCTEOSA-N 0 0 415.280 5.337 50 0 HKAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1Cl ZINC000032106563 525508421 /nfs/dbraw/zinc/50/84/21/525508421.db2.gz SPUMZPOMDRYNLM-MRXNPFEDSA-N 0 0 415.280 5.337 50 0 HKAARN O=C(Nc1ccc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1 ZINC000032109889 527137722 /nfs/dbraw/zinc/13/77/22/527137722.db2.gz FPNRXRISVFUFCB-UHFFFAOYSA-N 0 0 424.464 5.432 50 0 HKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 ZINC000032115398 523754995 /nfs/dbraw/zinc/75/49/95/523754995.db2.gz ZXFYTEBPFPGBOP-UHFFFAOYSA-N 0 0 414.795 5.687 50 0 HKAARN CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000032117626 523879793 /nfs/dbraw/zinc/87/97/93/523879793.db2.gz GPJHYFTWMBONOS-JOCHJYFZSA-N 0 0 408.339 6.438 50 0 HKAARN CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000032117628 523880002 /nfs/dbraw/zinc/88/00/02/523880002.db2.gz GPJHYFTWMBONOS-QFIPXVFZSA-N 0 0 408.339 6.438 50 0 HKAARN C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000032119709 525621096 /nfs/dbraw/zinc/62/10/96/525621096.db2.gz WPPUOCBICPDQGG-ONSGGECDSA-N 0 0 409.595 6.880 50 0 HKAARN C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000032119711 525069896 /nfs/dbraw/zinc/06/98/96/525069896.db2.gz WPPUOCBICPDQGG-VLNJMECTSA-N 0 0 409.595 6.880 50 0 HKAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccco1)C1CC1 ZINC000032159900 527525183 /nfs/dbraw/zinc/52/51/83/527525183.db2.gz PLFPABJLGJCDAO-UHFFFAOYSA-N 0 0 418.324 5.123 50 0 HKAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1N(C)C ZINC000032171483 527525116 /nfs/dbraw/zinc/52/51/16/527525116.db2.gz TXFPQIFYGNLUIC-UHFFFAOYSA-N 0 0 417.340 5.043 50 0 HKAARN CC1(c2ccccc2)SC(C)(c2ccccc2)SC(C)(c2ccccc2)S1 ZINC000032174180 569012712 /nfs/dbraw/zinc/01/27/12/569012712.db2.gz TXNAAJVHWOBHAM-UHFFFAOYSA-N 0 0 408.657 7.818 50 0 HKAARN O=C(CSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000032204167 527032807 /nfs/dbraw/zinc/03/28/07/527032807.db2.gz CMBYATMHOLVYCA-UHFFFAOYSA-N 0 0 420.814 5.789 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(Br)c2)n1-c1ccccc1 ZINC000032224807 527465190 /nfs/dbraw/zinc/46/51/90/527465190.db2.gz MDVLCXJWGYTSRC-YPKPFQOOSA-N 0 0 403.279 5.319 50 0 HKAARN CC(C)[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000032251921 568951587 /nfs/dbraw/zinc/95/15/87/568951587.db2.gz IHTMJMAUVDKZOJ-OAQYLSRUSA-N 0 0 407.445 5.001 50 0 HKAARN CC(C)[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000032251925 568951559 /nfs/dbraw/zinc/95/15/59/568951559.db2.gz IHTMJMAUVDKZOJ-NRFANRHFSA-N 0 0 407.445 5.001 50 0 HKAARN CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC000032292067 558754287 /nfs/dbraw/zinc/75/42/87/558754287.db2.gz WXYSZTISEJBRHW-UHFFFAOYSA-N 0 0 424.540 6.484 50 0 HKAARN C1CSC2=C(SC(=C3SC4=C(S3)SCCCS4)S2)SC1 ZINC000032292217 518579909 /nfs/dbraw/zinc/57/99/09/518579909.db2.gz LSZPCLOYNFOXST-UHFFFAOYSA-N 0 0 412.764 7.066 50 0 HKAARN Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccco1 ZINC000032320671 527087621 /nfs/dbraw/zinc/08/76/21/527087621.db2.gz DUBHDTBFNRQPJM-UHFFFAOYSA-N 0 0 402.932 5.068 50 0 HKAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(-c2ccccc2)c1OC ZINC000032320752 520657912 /nfs/dbraw/zinc/65/79/12/520657912.db2.gz FJFYQNPXSBCRBU-JOCHJYFZSA-N 0 0 402.494 5.133 50 0 HKAARN CCOc1cc(C(=O)N2CCC[C@H]2c2ccncc2)cc(-c2ccccc2)c1OC ZINC000032320754 520659459 /nfs/dbraw/zinc/65/94/59/520659459.db2.gz FJFYQNPXSBCRBU-QFIPXVFZSA-N 0 0 402.494 5.133 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc2c(c1)CCCC(=O)N2 ZINC000032322750 527059481 /nfs/dbraw/zinc/05/94/81/527059481.db2.gz KXCGLUDMFLIDJU-UHFFFAOYSA-N 0 0 402.928 5.200 50 0 HKAARN Clc1ccc(Cc2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1 ZINC000032324407 526952570 /nfs/dbraw/zinc/95/25/70/526952570.db2.gz ZLMHKEKMMPZTOQ-UHFFFAOYSA-N 0 0 400.916 5.125 50 0 HKAARN Clc1ccc(Cc2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1 ZINC000032324605 526952590 /nfs/dbraw/zinc/95/25/90/526952590.db2.gz JBAMRHGRWJZOSB-UHFFFAOYSA-N 0 0 400.916 5.125 50 0 HKAARN Cc1occc1-c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C ZINC000032325094 526798683 /nfs/dbraw/zinc/79/86/83/526798683.db2.gz TYMHDKGOOPINFW-UHFFFAOYSA-N 0 0 416.959 5.377 50 0 HKAARN Cc1occc1-c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)o1 ZINC000032325489 526799016 /nfs/dbraw/zinc/79/90/16/526799016.db2.gz BOEOEEJMKCEMDS-UHFFFAOYSA-N 0 0 403.916 5.631 50 0 HKAARN Cc1ccc(S(=O)(=O)c2ccc(CSc3nncc4ccccc43)cc2)cc1 ZINC000032331897 525632134 /nfs/dbraw/zinc/63/21/34/525632134.db2.gz BQYFHXBNMBPTLL-UHFFFAOYSA-N 0 0 406.532 5.063 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000032339327 526841962 /nfs/dbraw/zinc/84/19/62/526841962.db2.gz PVOVSEUXUVJYEF-OAHLLOKOSA-N 0 0 419.333 5.924 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCSc2ccccc21 ZINC000032339328 526842340 /nfs/dbraw/zinc/84/23/40/526842340.db2.gz PVOVSEUXUVJYEF-HNNXBMFYSA-N 0 0 419.333 5.924 50 0 HKAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Oc2ccc(Cl)c3ccccc23)c1 ZINC000032426734 524115902 /nfs/dbraw/zinc/11/59/02/524115902.db2.gz AIVQJNLHHANINF-UHFFFAOYSA-N 0 0 409.898 5.328 50 0 HKAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OCc1cccnc1 ZINC000032462120 520657837 /nfs/dbraw/zinc/65/78/37/520657837.db2.gz DUSYWRFXKDHJNT-JOCHJYFZSA-N 0 0 402.494 5.037 50 0 HKAARN CCOc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1OCc1cccnc1 ZINC000032462123 520659213 /nfs/dbraw/zinc/65/92/13/520659213.db2.gz DUSYWRFXKDHJNT-QFIPXVFZSA-N 0 0 402.494 5.037 50 0 HKAARN C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032485685 525088127 /nfs/dbraw/zinc/08/81/27/525088127.db2.gz WFPKGLHOIMUCLD-CYBMUJFWSA-N 0 0 404.297 5.244 50 0 HKAARN C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032485686 524932674 /nfs/dbraw/zinc/93/26/74/524932674.db2.gz WFPKGLHOIMUCLD-ZDUSSCGKSA-N 0 0 404.297 5.244 50 0 HKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCc1cccs1 ZINC000032502268 523194187 /nfs/dbraw/zinc/19/41/87/523194187.db2.gz WDTQZXHTMPXQEF-UHFFFAOYSA-N 0 0 404.329 5.362 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3ccc(Cl)s3)c2oc1-c1ccccc1 ZINC000032502829 525522186 /nfs/dbraw/zinc/52/21/86/525522186.db2.gz VADZKNWUMSLGGW-UHFFFAOYSA-N 0 0 423.921 5.756 50 0 HKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032505329 523922601 /nfs/dbraw/zinc/92/26/01/523922601.db2.gz NITHROYOSFHERW-UHFFFAOYSA-N 0 0 400.309 5.188 50 0 HKAARN CCOc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000032508789 520918827 /nfs/dbraw/zinc/91/88/27/520918827.db2.gz PQKRHZAWKRMAFF-UHFFFAOYSA-N 0 0 418.522 5.264 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000032508803 525824393 /nfs/dbraw/zinc/82/43/93/525824393.db2.gz VDGYSLKWJFBQCV-JQIJEIRASA-N 0 0 419.484 6.450 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)/C=C/c1ccc(F)cc1 ZINC000032524931 526298089 /nfs/dbraw/zinc/29/80/89/526298089.db2.gz LGCQGGKARVTRND-JLHYYAGUSA-N 0 0 411.908 5.013 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2ncsc2c1 ZINC000032526206 523488776 /nfs/dbraw/zinc/48/87/76/523488776.db2.gz VBGPNTNGTDCUEA-UHFFFAOYSA-N 0 0 424.529 5.421 50 0 HKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nnc(-c2ccccc2)o1 ZINC000032547936 523486369 /nfs/dbraw/zinc/48/63/69/523486369.db2.gz VUJZFTDUAYGEJH-UHFFFAOYSA-N 0 0 421.504 5.221 50 0 HKAARN O=C(c1ccco1)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 ZINC000032559907 526832262 /nfs/dbraw/zinc/83/22/62/526832262.db2.gz ABBUBZLTHBIYDK-FCHUYYIVSA-N 0 0 400.950 5.197 50 0 HKAARN O=C(c1ccco1)[C@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 ZINC000032559909 526832135 /nfs/dbraw/zinc/83/21/35/526832135.db2.gz ABBUBZLTHBIYDK-VXKWHMMOSA-N 0 0 400.950 5.197 50 0 HKAARN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1c(F)cccc1Cl ZINC000032561584 527515519 /nfs/dbraw/zinc/51/55/19/527515519.db2.gz HHTGINJAKOHMEM-UHFFFAOYSA-N 0 0 404.772 5.282 50 0 HKAARN Cc1ccc(/C=C(/c2nnc(-c3ccc(C)cc3)o2)S(=O)(=O)c2ccccc2)cc1 ZINC000032577832 525948152 /nfs/dbraw/zinc/94/81/52/525948152.db2.gz FAOKVUUKIVVVLJ-JWGURIENSA-N 0 0 416.502 5.325 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)n2)cc1 ZINC000032578459 525870018 /nfs/dbraw/zinc/87/00/18/525870018.db2.gz UWMXQWYKYCFCCI-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 ZINC000032578460 525869620 /nfs/dbraw/zinc/86/96/20/525869620.db2.gz ZILISIPRXQBWMN-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000032578461 525869272 /nfs/dbraw/zinc/86/92/72/525869272.db2.gz BVZYPKQVFUQDDC-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)c(F)c4)cc3)n2)cc1 ZINC000032578464 525869248 /nfs/dbraw/zinc/86/92/48/525869248.db2.gz OWMSSDWBHIEGFL-UHFFFAOYSA-N 0 0 421.403 5.008 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)ccc4F)cc3)n2)cc1 ZINC000032578465 525868988 /nfs/dbraw/zinc/86/89/88/525868988.db2.gz VDMDPWFQOPLYLT-UHFFFAOYSA-N 0 0 421.403 5.008 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)n2)cc1 ZINC000032578466 525869998 /nfs/dbraw/zinc/86/99/98/525869998.db2.gz KZLXKKHEVPKTIU-UHFFFAOYSA-N 0 0 421.403 5.008 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)n2)cc1 ZINC000032578470 525868902 /nfs/dbraw/zinc/86/89/02/525868902.db2.gz BVIUSCJTKTXSDG-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)n2)cc1 ZINC000032578471 525869675 /nfs/dbraw/zinc/86/96/75/525869675.db2.gz MXTBUCZXHHWHJA-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)n2)cc1 ZINC000032578472 525869404 /nfs/dbraw/zinc/86/94/04/525869404.db2.gz LHQRYTIYCIJFDM-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN 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ZINC000032578857 525879665 /nfs/dbraw/zinc/87/96/65/525879665.db2.gz XPJZCGXYZWBWPV-UHFFFAOYSA-N 0 0 413.477 5.493 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(F)ccc3C)n2)cc1 ZINC000032578864 525880574 /nfs/dbraw/zinc/88/05/74/525880574.db2.gz KPVDEJNWWZOPJI-UHFFFAOYSA-N 0 0 417.440 5.324 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)cc3F)n2)cc1 ZINC000032578865 525880346 /nfs/dbraw/zinc/88/03/46/525880346.db2.gz AOFANWCZUYIHDN-UHFFFAOYSA-N 0 0 417.440 5.324 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)c(F)c3)n2)cc1 ZINC000032578866 525879948 /nfs/dbraw/zinc/87/99/48/525879948.db2.gz WMDQVUGSKPCESD-UHFFFAOYSA-N 0 0 421.403 5.155 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4C)cc3)n2)cc1 ZINC000032578869 525869945 /nfs/dbraw/zinc/86/99/45/525869945.db2.gz ZWBOLPFJHJWFJC-UHFFFAOYSA-N 0 0 417.440 5.177 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000032578870 525868854 /nfs/dbraw/zinc/86/88/54/525868854.db2.gz VDGDYVWDLOLEAM-UHFFFAOYSA-N 0 0 421.403 5.008 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4F)cc3)n2)cc1 ZINC000032578897 525869957 /nfs/dbraw/zinc/86/99/57/525869957.db2.gz WVONSJCCMQZYKE-UHFFFAOYSA-N 0 0 417.440 5.177 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4c(F)cccc4F)cc3)n2)cc1 ZINC000032578900 525869808 /nfs/dbraw/zinc/86/98/08/525869808.db2.gz LCWDCPGUVIPKEO-UHFFFAOYSA-N 0 0 421.403 5.008 50 0 HKAARN Cc1c(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cccc1C(F)(F)F ZINC000032578916 525836540 /nfs/dbraw/zinc/83/65/40/525836540.db2.gz NJMKYJKZSBVBDF-UHFFFAOYSA-N 0 0 419.403 5.205 50 0 HKAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)cc1Cl ZINC000032579054 526945925 /nfs/dbraw/zinc/94/59/25/526945925.db2.gz CGTMMXHGUPYOHN-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000032579120 525879553 /nfs/dbraw/zinc/87/95/53/525879553.db2.gz HRYBUGLSWPXKIX-GOSISDBHSA-N 0 0 413.477 5.115 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000032579121 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CCCCOc1ccc(NC(=O)c2oc3c(cc(C)cc3C)c2C)c2cccnc12 ZINC000032624138 520890623 /nfs/dbraw/zinc/89/06/23/520890623.db2.gz KBYXOICAJMNYSN-UHFFFAOYSA-N 0 0 402.494 6.337 50 0 HKAARN CCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2cccnc12 ZINC000032624143 520398761 /nfs/dbraw/zinc/39/87/61/520398761.db2.gz RBAVCWQMJMBVSA-UHFFFAOYSA-N 0 0 422.868 5.344 50 0 HKAARN CCCOc1ccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c2cccnc12 ZINC000032624393 520401596 /nfs/dbraw/zinc/40/15/96/520401596.db2.gz FZJYIFNEAITYSN-UHFFFAOYSA-N 0 0 408.885 6.292 50 0 HKAARN CCCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c2cccnc12 ZINC000032624397 520399431 /nfs/dbraw/zinc/39/94/31/520399431.db2.gz XZHZUYJJFHMZEK-UHFFFAOYSA-N 0 0 401.466 5.548 50 0 HKAARN CCCOc1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)c2cccnc12 ZINC000032624415 520399802 /nfs/dbraw/zinc/39/98/02/520399802.db2.gz JIVQNFQGOHBOMN-UHFFFAOYSA-N 0 0 417.465 5.330 50 0 HKAARN Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2NC(=O)c2ccco2)cc1 ZINC000032624649 525818691 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O=C(CN(Cc1ccco1)Cc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000032664853 526702502 /nfs/dbraw/zinc/70/25/02/526702502.db2.gz FLBXFBWKIAWUEC-UHFFFAOYSA-N 0 0 422.834 5.593 50 0 HKAARN Cc1noc(C)c1COc1ccc(CC(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000032666040 526522118 /nfs/dbraw/zinc/52/21/18/526522118.db2.gz UIMNKVXUJATONP-UHFFFAOYSA-N 0 0 422.868 5.220 50 0 HKAARN Cc1ccccc1NC(=O)Cc1nc(COc2cc(Cl)cc(Cl)c2)cs1 ZINC000032667946 525245163 /nfs/dbraw/zinc/24/51/63/525245163.db2.gz BCTPAVLNSFXUBW-UHFFFAOYSA-N 0 0 407.322 5.519 50 0 HKAARN Cc1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2Br)cc1 ZINC000032670933 568694999 /nfs/dbraw/zinc/69/49/99/568694999.db2.gz VUGOPEQLAGAKLC-SXGWCWSVSA-N 0 0 420.353 5.666 50 0 HKAARN Cc1nnc(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1C1CCCCC1 ZINC000032671775 526381565 /nfs/dbraw/zinc/38/15/65/526381565.db2.gz QEPSDCQAVFIMDO-UHFFFAOYSA-N 0 0 414.575 5.051 50 0 HKAARN O=C(CSc1ccc2ccccc2n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032671923 527039416 /nfs/dbraw/zinc/03/94/16/527039416.db2.gz 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COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccc(Br)s3)ccc2c1 ZINC000032716895 525635152 /nfs/dbraw/zinc/63/51/52/525635152.db2.gz SKTVTKKAZVELKO-CYBMUJFWSA-N 0 0 418.356 5.435 50 0 HKAARN Cc1sc2nc(-c3cccs3)nc(Sc3nnc(-c4cccnc4)o3)c2c1C ZINC000032717170 526887584 /nfs/dbraw/zinc/88/75/84/526887584.db2.gz MSBHNOAPABBILP-UHFFFAOYSA-N 0 0 423.548 5.633 50 0 HKAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000032719564 521694934 /nfs/dbraw/zinc/69/49/34/521694934.db2.gz USMJNMJYRZCDMJ-ZRDIBKRKSA-N 0 0 421.428 5.181 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)n2)s1 ZINC000032719619 525782617 /nfs/dbraw/zinc/78/26/17/525782617.db2.gz YYGNNZYDOIAGGH-UHFFFAOYSA-N 0 0 415.540 5.624 50 0 HKAARN CCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)ccc1F ZINC000032721779 521296387 /nfs/dbraw/zinc/29/63/87/521296387.db2.gz ROGQULGWORZDRP-UHFFFAOYSA-N 0 0 421.129 5.075 50 0 HKAARN O=C(COc1ccc2ccccc2c1Br)N1CCC[C@@H]1c1cccs1 ZINC000032721824 526973331 /nfs/dbraw/zinc/97/33/31/526973331.db2.gz 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527052374 /nfs/dbraw/zinc/05/23/74/527052374.db2.gz BVMVTZDFAWERFY-UHFFFAOYSA-N 0 0 417.239 5.930 50 0 HKAARN Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000032727203 526483899 /nfs/dbraw/zinc/48/38/99/526483899.db2.gz KFSJUAMKCNWCQQ-UHFFFAOYSA-N 0 0 403.265 5.010 50 0 HKAARN Cc1cccc(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 ZINC000032735888 524613572 /nfs/dbraw/zinc/61/35/72/524613572.db2.gz INBINUZNKWLQEI-UHFFFAOYSA-N 0 0 400.885 5.108 50 0 HKAARN COc1cc(/C=C/C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)ccc1OC(F)F ZINC000032735950 521926486 /nfs/dbraw/zinc/92/64/86/521926486.db2.gz KQIJLLIKRAPFPD-GDXASINISA-N 0 0 414.408 5.092 50 0 HKAARN COc1cc(/C=C/C(=O)N(c2ccccn2)[C@H](C)c2ccco2)ccc1OC(F)F ZINC000032735951 521925950 /nfs/dbraw/zinc/92/59/50/521925950.db2.gz KQIJLLIKRAPFPD-SLZMIMFISA-N 0 0 414.408 5.092 50 0 HKAARN CN(C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Cl ZINC000032736318 522022279 /nfs/dbraw/zinc/02/22/79/522022279.db2.gz CHZCQFDSLIBFLK-IBGZPJMESA-N 0 0 421.031 5.241 50 0 HKAARN 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COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000032740765 524443789 /nfs/dbraw/zinc/44/37/89/524443789.db2.gz LSOGBJKAYVRTMQ-UHFFFAOYSA-N 0 0 417.534 5.159 50 0 HKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1csc(-c2ccccc2)n1 ZINC000032740766 524443246 /nfs/dbraw/zinc/44/32/46/524443246.db2.gz VYJGSVLTMIBSJA-UHFFFAOYSA-N 0 0 420.559 5.723 50 0 HKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032740810 523216259 /nfs/dbraw/zinc/21/62/59/523216259.db2.gz ARGAQQSWCOMOOV-UHFFFAOYSA-N 0 0 424.875 5.683 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032740968 523567842 /nfs/dbraw/zinc/56/78/42/523567842.db2.gz IXTAHPIKRIIKLW-QFIPXVFZSA-N 0 0 404.560 5.788 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032740969 523568876 /nfs/dbraw/zinc/56/88/76/523568876.db2.gz IXTAHPIKRIIKLW-JOCHJYFZSA-N 0 0 404.560 5.788 50 0 HKAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000032741068 524892704 /nfs/dbraw/zinc/89/27/04/524892704.db2.gz 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O=C(CCc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000032747479 526662748 /nfs/dbraw/zinc/66/27/48/526662748.db2.gz MEZKFOQDRQKFAA-UHFFFAOYSA-N 0 0 416.915 5.146 50 0 HKAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c(Cl)c1 ZINC000032747489 524304657 /nfs/dbraw/zinc/30/46/57/524304657.db2.gz PCULEVWUUQFYJZ-UHFFFAOYSA-N 0 0 409.917 5.036 50 0 HKAARN CN(Cc1ccsc1)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000032747592 523483178 /nfs/dbraw/zinc/48/31/78/523483178.db2.gz UTRFAQQXDWRDSQ-QHCPKHFHSA-N 0 0 406.576 5.517 50 0 HKAARN CN(Cc1ccsc1)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000032747593 523484604 /nfs/dbraw/zinc/48/46/04/523484604.db2.gz UTRFAQQXDWRDSQ-HSZRJFAPSA-N 0 0 406.576 5.517 50 0 HKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000032747611 526528120 /nfs/dbraw/zinc/52/81/20/526528120.db2.gz ZHDSSADQXIEXAK-UHFFFAOYSA-N 0 0 418.421 5.158 50 0 HKAARN Cc1noc(C)c1CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032751369 526500743 /nfs/dbraw/zinc/50/07/43/526500743.db2.gz KAKOERRWOMJNNL-UHFFFAOYSA-N 0 0 406.917 5.430 50 0 HKAARN COc1ccc([C@@H]2CCCN2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751421 525250241 /nfs/dbraw/zinc/25/02/41/525250241.db2.gz PUELBQWMRXYWCZ-NRFANRHFSA-N 0 0 410.539 5.173 50 0 HKAARN COc1ccc([C@H]2CCCN2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751423 525415597 /nfs/dbraw/zinc/41/55/97/525415597.db2.gz PUELBQWMRXYWCZ-OAQYLSRUSA-N 0 0 410.539 5.173 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cc2)co1 ZINC000032752862 526576852 /nfs/dbraw/zinc/57/68/52/526576852.db2.gz FYSLATFHLLYRBX-UHFFFAOYSA-N 0 0 411.820 5.658 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000032752875 525468489 /nfs/dbraw/zinc/46/84/89/525468489.db2.gz TWJKEBNSQBQVEU-MRXNPFEDSA-N 0 0 424.932 5.039 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000032752876 525457025 /nfs/dbraw/zinc/45/70/25/525457025.db2.gz TWJKEBNSQBQVEU-INIZCTEOSA-N 0 0 424.932 5.039 50 0 HKAARN COc1ccc(-c2nnc([C@@H](C)N3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753105 523267297 /nfs/dbraw/zinc/26/72/97/523267297.db2.gz IBFSCMAYXFBIIY-MRXNPFEDSA-N 0 0 400.482 5.077 50 0 HKAARN COc1ccc(-c2nnc([C@H](C)N3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753106 523268260 /nfs/dbraw/zinc/26/82/60/523268260.db2.gz IBFSCMAYXFBIIY-INIZCTEOSA-N 0 0 400.482 5.077 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1nc(-c2cccs2)no1 ZINC000032753242 527181497 /nfs/dbraw/zinc/18/14/97/527181497.db2.gz MCHWFEULGXUCAD-UHFFFAOYSA-N 0 0 410.886 5.316 50 0 HKAARN CSc1ncc(Cl)c(C(=O)Nc2ccccc2SCc2ccsc2)n1 ZINC000032753557 526221697 /nfs/dbraw/zinc/22/16/97/526221697.db2.gz VXRDOLVOODQCQC-UHFFFAOYSA-N 0 0 407.973 5.458 50 0 HKAARN O=C(c1csc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000032753570 558599054 /nfs/dbraw/zinc/59/90/54/558599054.db2.gz GWPBAZIFLRXFGW-UHFFFAOYSA-N 0 0 407.926 5.065 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc(Cl)ccc1F ZINC000032753621 527174073 /nfs/dbraw/zinc/17/40/73/527174073.db2.gz RRMOHEMRHYXYDU-UHFFFAOYSA-N 0 0 419.287 5.370 50 0 HKAARN O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F ZINC000032753622 527654844 /nfs/dbraw/zinc/65/48/44/527654844.db2.gz XSBOVMSHCZMBSR-UHFFFAOYSA-N 0 0 411.448 5.133 50 0 HKAARN CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1C ZINC000032753792 519935936 /nfs/dbraw/zinc/93/59/36/519935936.db2.gz FKBWCOIJAJHGHU-UHFFFAOYSA-N 0 0 415.356 5.477 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000032753938 527540126 /nfs/dbraw/zinc/54/01/26/527540126.db2.gz SVEYVKGZUOLYSD-LJQANCHMSA-N 0 0 401.510 5.388 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000032753939 527539394 /nfs/dbraw/zinc/53/93/94/527539394.db2.gz SVEYVKGZUOLYSD-IBGZPJMESA-N 0 0 401.510 5.388 50 0 HKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032753942 526039258 /nfs/dbraw/zinc/03/92/58/526039258.db2.gz OSHPKGOWHYKVHD-CQSZACIVSA-N 0 0 410.926 5.972 50 0 HKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032753943 526033030 /nfs/dbraw/zinc/03/30/30/526033030.db2.gz OSHPKGOWHYKVHD-AWEZNQCLSA-N 0 0 410.926 5.972 50 0 HKAARN COc1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1Br ZINC000032753954 522058489 /nfs/dbraw/zinc/05/84/89/522058489.db2.gz ZPUDBSSAUGOBNN-LBPRGKRZSA-N 0 0 418.287 5.046 50 0 HKAARN COc1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1Br ZINC000032753955 522061335 /nfs/dbraw/zinc/06/13/35/522061335.db2.gz ZPUDBSSAUGOBNN-GFCCVEGCSA-N 0 0 418.287 5.046 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)c12 ZINC000032753964 526677330 /nfs/dbraw/zinc/67/73/30/526677330.db2.gz FQOAQXWFTNWYSB-MRXNPFEDSA-N 0 0 411.461 5.778 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c12 ZINC000032753965 526678061 /nfs/dbraw/zinc/67/80/61/526678061.db2.gz FQOAQXWFTNWYSB-INIZCTEOSA-N 0 0 411.461 5.778 50 0 HKAARN COc1cccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)cs2)c1OC ZINC000032754166 525719626 /nfs/dbraw/zinc/71/96/26/525719626.db2.gz TZNMYHMEHUYAHG-LJQANCHMSA-N 0 0 408.523 5.113 50 0 HKAARN COc1cccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)cs2)c1OC ZINC000032754167 525720120 /nfs/dbraw/zinc/72/01/20/525720120.db2.gz TZNMYHMEHUYAHG-IBGZPJMESA-N 0 0 408.523 5.113 50 0 HKAARN CCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000032754349 521634779 /nfs/dbraw/zinc/63/47/79/521634779.db2.gz BKKQNWUYHRTOAL-LBPRGKRZSA-N 0 0 405.955 5.542 50 0 HKAARN CCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000032754350 521635531 /nfs/dbraw/zinc/63/55/31/521635531.db2.gz BKKQNWUYHRTOAL-GFCCVEGCSA-N 0 0 405.955 5.542 50 0 HKAARN Brc1ccc(Oc2ccc(NCc3nc(-c4ccco4)no3)cc2)cc1 ZINC000032754353 518215136 /nfs/dbraw/zinc/21/51/36/518215136.db2.gz KPTJSKWMHVLBMJ-UHFFFAOYSA-N 0 0 412.243 5.497 50 0 HKAARN Cn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 ZINC000032754518 527088143 /nfs/dbraw/zinc/08/81/43/527088143.db2.gz YRSWLARYSQRWRG-UHFFFAOYSA-N 0 0 409.946 5.036 50 0 HKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1 ZINC000032754586 525243197 /nfs/dbraw/zinc/24/31/97/525243197.db2.gz IONSYZPJTIAQMC-IBGZPJMESA-N 0 0 409.555 5.383 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1 ZINC000032754587 525409267 /nfs/dbraw/zinc/40/92/67/525409267.db2.gz IONSYZPJTIAQMC-LJQANCHMSA-N 0 0 409.555 5.383 50 0 HKAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)no1 ZINC000032754788 526916192 /nfs/dbraw/zinc/91/61/92/526916192.db2.gz DSFPXGHKJKIMMO-UHFFFAOYSA-N 0 0 416.506 5.666 50 0 HKAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000032754791 526628701 /nfs/dbraw/zinc/62/87/01/526628701.db2.gz BTTVFXCBKODQFM-UHFFFAOYSA-N 0 0 416.506 5.666 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032755180 527251331 /nfs/dbraw/zinc/25/13/31/527251331.db2.gz IYIOWCKSKCKFRP-QGZVFWFLSA-N 0 0 406.507 5.031 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032755181 527251501 /nfs/dbraw/zinc/25/15/01/527251501.db2.gz IYIOWCKSKCKFRP-KRWDZBQOSA-N 0 0 406.507 5.031 50 0 HKAARN O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000032759147 527186415 /nfs/dbraw/zinc/18/64/15/527186415.db2.gz QZHXBUFABMVKCB-UHFFFAOYSA-N 0 0 401.722 5.075 50 0 HKAARN COc1cc2c(cc1NC(=O)c1c(C)nc(C(C)C)nc1SC)oc1ccccc12 ZINC000032759158 523019871 /nfs/dbraw/zinc/01/98/71/523019871.db2.gz OKAUATFCCCTYLR-UHFFFAOYSA-N 0 0 421.522 5.791 50 0 HKAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000032759924 526211428 /nfs/dbraw/zinc/21/14/28/526211428.db2.gz NYOYPKZENZKVBQ-UHFFFAOYSA-N 0 0 420.510 5.284 50 0 HKAARN CC(C)Cc1ccc([C@@H](NCc2nc3c4ccccc4oc3c(=O)[nH]2)C(C)C)cc1 ZINC000032759981 519445612 /nfs/dbraw/zinc/44/56/12/519445612.db2.gz WDLFUDPHZVVIJG-QFIPXVFZSA-N 0 0 403.526 5.767 50 0 HKAARN CC(C)Cc1ccc([C@H](NCc2nc3c4ccccc4oc3c(=O)[nH]2)C(C)C)cc1 ZINC000032759984 519450837 /nfs/dbraw/zinc/45/08/37/519450837.db2.gz WDLFUDPHZVVIJG-JOCHJYFZSA-N 0 0 403.526 5.767 50 0 HKAARN COc1cc2c(cc1NC(=O)c1ccc(OCc3ccncc3)cc1)oc1ccccc12 ZINC000032760994 523020509 /nfs/dbraw/zinc/02/05/09/523020509.db2.gz KJPZNNQOCCXXIW-UHFFFAOYSA-N 0 0 424.456 5.821 50 0 HKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 ZINC000032761003 527494115 /nfs/dbraw/zinc/49/41/15/527494115.db2.gz RHIGURHFOOAJJR-UHFFFAOYSA-N 0 0 412.892 5.167 50 0 HKAARN COc1cc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(Cl)c1OC ZINC000032765189 521926860 /nfs/dbraw/zinc/92/68/60/521926860.db2.gz UFQRYVFKWQCZNL-RMKNXTFCSA-N 0 0 424.299 5.354 50 0 HKAARN CC(C)(C)c1nc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 ZINC000032765238 519103555 /nfs/dbraw/zinc/10/35/55/519103555.db2.gz SDWSJBSWXHCEHA-UHFFFAOYSA-N 0 0 417.966 5.686 50 0 HKAARN COc1ccc(-c2cc(CSCCCC(=O)Nc3c(C)cccc3C)on2)cc1 ZINC000032765378 523109607 /nfs/dbraw/zinc/10/96/07/523109607.db2.gz RKARIWQFMQXJBQ-UHFFFAOYSA-N 0 0 410.539 5.619 50 0 HKAARN O=C(NCCc1ccc(Cl)cc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000032765641 526404591 /nfs/dbraw/zinc/40/45/91/526404591.db2.gz DPYQHJASTQYSBG-UHFFFAOYSA-N 0 0 421.953 5.253 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3cccc(CN4CCCC4=O)c3)ccc21 ZINC000032768089 523277517 /nfs/dbraw/zinc/27/75/17/523277517.db2.gz AJQGRJMIPLXPGQ-UHFFFAOYSA-N 0 0 411.505 5.189 50 0 HKAARN O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000032768431 526646077 /nfs/dbraw/zinc/64/60/77/526646077.db2.gz VSSBNWNNFXVATL-UHFFFAOYSA-N 0 0 416.934 5.013 50 0 HKAARN COc1cc(C(=O)N(Cc2ccco2)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000032769392 522062089 /nfs/dbraw/zinc/06/20/89/522062089.db2.gz CVSPBNISCOCQAA-UHFFFAOYSA-N 0 0 411.885 5.325 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(CSC(F)F)o2)c1 ZINC000032770898 527395722 /nfs/dbraw/zinc/39/57/22/527395722.db2.gz YYBQMQUMFZKWIO-UHFFFAOYSA-N 0 0 417.437 5.632 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1C ZINC000032771505 518231268 /nfs/dbraw/zinc/23/12/68/518231268.db2.gz MLXVIKHJPZVUNO-MRXNPFEDSA-N 0 0 418.497 5.161 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1C ZINC000032771507 518232940 /nfs/dbraw/zinc/23/29/40/518232940.db2.gz MLXVIKHJPZVUNO-INIZCTEOSA-N 0 0 418.497 5.161 50 0 HKAARN O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772244 526436713 /nfs/dbraw/zinc/43/67/13/526436713.db2.gz WUFGZFURQUQPCB-UHFFFAOYSA-N 0 0 418.729 5.166 50 0 HKAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000032772674 523376781 /nfs/dbraw/zinc/37/67/81/523376781.db2.gz UVHFRRUQYZWVNH-UHFFFAOYSA-N 0 0 417.534 5.429 50 0 HKAARN C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000032776547 525896073 /nfs/dbraw/zinc/89/60/73/525896073.db2.gz ACRSSVFMZMMJTA-CYBMUJFWSA-N 0 0 414.552 5.353 50 0 HKAARN C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000032776548 525894208 /nfs/dbraw/zinc/89/42/08/525894208.db2.gz ACRSSVFMZMMJTA-ZDUSSCGKSA-N 0 0 414.552 5.353 50 0 HKAARN CCOc1ccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032777153 520828043 /nfs/dbraw/zinc/82/80/43/520828043.db2.gz NRCHQMQUCMSJNO-UHFFFAOYSA-N 0 0 420.538 5.125 50 0 HKAARN CCOc1ccc2ccccc2c1COC(=O)CCc1nc(-c2ccsc2)no1 ZINC000032777375 521296040 /nfs/dbraw/zinc/29/60/40/521296040.db2.gz XKQVUOBWOBRURI-UHFFFAOYSA-N 0 0 408.479 5.026 50 0 HKAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc2ccccc2c1C ZINC000032777963 520355837 /nfs/dbraw/zinc/35/58/37/520355837.db2.gz ACHIQBZVDLFXJH-UHFFFAOYSA-N 0 0 400.931 5.272 50 0 HKAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032778040 523507563 /nfs/dbraw/zinc/50/75/63/523507563.db2.gz NPZQHXNKMNFMDN-DEOSSOPVSA-N 0 0 413.546 5.364 50 0 HKAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032778042 523507055 /nfs/dbraw/zinc/50/70/55/523507055.db2.gz NPZQHXNKMNFMDN-XMMPIXPASA-N 0 0 413.546 5.364 50 0 HKAARN COc1ccc(C(C)=O)cc1CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032778663 523792815 /nfs/dbraw/zinc/79/28/15/523792815.db2.gz DLOVDISVHBQVIP-UHFFFAOYSA-N 0 0 422.428 5.400 50 0 HKAARN CCc1ccc(-c2noc(CSCCCC(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000032778700 523864143 /nfs/dbraw/zinc/86/41/43/523864143.db2.gz VEXSJOLLRAMZFY-UHFFFAOYSA-N 0 0 409.555 5.568 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCCSCc1nc(-c2ccccc2Cl)no1 ZINC000032778701 524270088 /nfs/dbraw/zinc/27/00/88/524270088.db2.gz ILMSRYOZMZJWAR-UHFFFAOYSA-N 0 0 415.946 5.659 50 0 HKAARN COc1ccc(CSCc2nc(-c3cccc(Br)c3)no2)cc1F ZINC000032778713 524125089 /nfs/dbraw/zinc/12/50/89/524125089.db2.gz XECFVRJPQZFNAM-UHFFFAOYSA-N 0 0 409.280 5.080 50 0 HKAARN Cc1sc2nc([C@@H](C)SCCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000032778742 526895627 /nfs/dbraw/zinc/89/56/27/526895627.db2.gz DDDYMHLCXBPKIH-GFCCVEGCSA-N 0 0 421.975 5.078 50 0 HKAARN Cc1sc2nc([C@H](C)SCCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000032778743 526895430 /nfs/dbraw/zinc/89/54/30/526895430.db2.gz DDDYMHLCXBPKIH-LBPRGKRZSA-N 0 0 421.975 5.078 50 0 HKAARN C[C@@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000032778802 526004377 /nfs/dbraw/zinc/00/43/77/526004377.db2.gz MQUKQLNTQHMAHR-MRVPVSSYSA-N 0 0 424.334 5.800 50 0 HKAARN C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000032778803 526005504 /nfs/dbraw/zinc/00/55/04/526005504.db2.gz MQUKQLNTQHMAHR-QMMMGPOBSA-N 0 0 424.334 5.800 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000032778870 518375533 /nfs/dbraw/zinc/37/55/33/518375533.db2.gz LQBMNGSOCLYQCO-CQSZACIVSA-N 0 0 414.527 5.412 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000032778871 518378561 /nfs/dbraw/zinc/37/85/61/518378561.db2.gz LQBMNGSOCLYQCO-AWEZNQCLSA-N 0 0 414.527 5.412 50 0 HKAARN O=c1c2ccccc2nc(SCc2nccn2Cc2ccccc2)n1C1CCCC1 ZINC000032778942 527466681 /nfs/dbraw/zinc/46/66/81/527466681.db2.gz PGTLNCFQKZCUBW-UHFFFAOYSA-N 0 0 416.550 5.049 50 0 HKAARN COc1ccc(OC)c(NC(=O)CSCc2csc(-c3ccc(C)cc3)n2)c1 ZINC000032779053 524852511 /nfs/dbraw/zinc/85/25/11/524852511.db2.gz DAZWUHIZSYACGQ-UHFFFAOYSA-N 0 0 414.552 5.008 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)Nc3cc(C)ccc3OC)cs2)cc1 ZINC000032779061 523210643 /nfs/dbraw/zinc/21/06/43/523210643.db2.gz UKUQODOMPFDTTG-UHFFFAOYSA-N 0 0 414.552 5.008 50 0 HKAARN COc1ccc(-c2nc(CSCC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 ZINC000032779062 523211236 /nfs/dbraw/zinc/21/12/36/523211236.db2.gz MLTUDOHJZWCHPT-UHFFFAOYSA-N 0 0 412.580 5.616 50 0 HKAARN CCc1ccc(-c2nc(CSCC(=O)Nc3cc(C)ccc3OC)cs2)cc1 ZINC000032779092 523862054 /nfs/dbraw/zinc/86/20/54/523862054.db2.gz GSLDVFHZBICULS-UHFFFAOYSA-N 0 0 412.580 5.561 50 0 HKAARN O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc2ccccc21 ZINC000032779106 527030918 /nfs/dbraw/zinc/03/09/18/527030918.db2.gz JJSYXKPZBBLKJY-UHFFFAOYSA-N 0 0 409.898 5.415 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000032779108 524151081 /nfs/dbraw/zinc/15/10/81/524151081.db2.gz WDTOKTBHSKECAD-CQSZACIVSA-N 0 0 401.919 5.267 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000032779109 524155813 /nfs/dbraw/zinc/15/58/13/524155813.db2.gz WDTOKTBHSKECAD-AWEZNQCLSA-N 0 0 401.919 5.267 50 0 HKAARN COc1ccc(NC(=O)CSCc2csc(-c3ccsc3)n2)cc1Cl ZINC000032779127 524505926 /nfs/dbraw/zinc/50/59/26/524505926.db2.gz LESGBEINUHMBRH-UHFFFAOYSA-N 0 0 410.973 5.406 50 0 HKAARN O=C(CSCc1csc(-c2ccsc2)n1)Nc1ccccc1C(F)(F)F ZINC000032779129 527028347 /nfs/dbraw/zinc/02/83/47/527028347.db2.gz QGIQJXXXJGBRLA-UHFFFAOYSA-N 0 0 414.499 5.762 50 0 HKAARN C[C@@H](SCc1csc(-c2ccsc2)n1)C(=O)NCc1ccccc1Cl ZINC000032779134 525979694 /nfs/dbraw/zinc/97/96/94/525979694.db2.gz WGHMFMPRIXRYFV-GFCCVEGCSA-N 0 0 409.001 5.463 50 0 HKAARN C[C@H](SCc1csc(-c2ccsc2)n1)C(=O)NCc1ccccc1Cl ZINC000032779135 525981684 /nfs/dbraw/zinc/98/16/84/525981684.db2.gz WGHMFMPRIXRYFV-LBPRGKRZSA-N 0 0 409.001 5.463 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccsc3)n2)cc1 ZINC000032779139 518375379 /nfs/dbraw/zinc/37/53/79/518375379.db2.gz AUUYFVVAHOHXCN-CYBMUJFWSA-N 0 0 402.566 5.335 50 0 HKAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccsc3)n2)cc1 ZINC000032779140 518378055 /nfs/dbraw/zinc/37/80/55/518378055.db2.gz 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C[C@@H](NC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000032794945 525235541 /nfs/dbraw/zinc/23/55/41/525235541.db2.gz PSQYHWNODNSAKG-ZHRRBRCNSA-N 0 0 420.513 5.223 50 0 HKAARN C[C@H](NC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000032794946 525100033 /nfs/dbraw/zinc/10/00/33/525100033.db2.gz PSQYHWNODNSAKG-AOMKIAJQSA-N 0 0 420.513 5.223 50 0 HKAARN C[C@@H](NC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000032794947 525227364 /nfs/dbraw/zinc/22/73/64/525227364.db2.gz PSQYHWNODNSAKG-OPAMFIHVSA-N 0 0 420.513 5.223 50 0 HKAARN C[C@H](NC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000032794948 525089090 /nfs/dbraw/zinc/08/90/90/525089090.db2.gz PSQYHWNODNSAKG-KSFYIVLOSA-N 0 0 420.513 5.223 50 0 HKAARN O=C(NCc1coc(-c2cccs2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000032795105 526809617 /nfs/dbraw/zinc/80/96/17/526809617.db2.gz FNFBKLNVNMKBQY-GOSISDBHSA-N 0 0 413.499 5.193 50 0 HKAARN O=C(NCc1coc(-c2cccs2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000032795106 526809884 /nfs/dbraw/zinc/80/98/84/526809884.db2.gz FNFBKLNVNMKBQY-SFHVURJKSA-N 0 0 413.499 5.193 50 0 HKAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Br)cc1)C1CC1 ZINC000032796510 526661683 /nfs/dbraw/zinc/66/16/83/526661683.db2.gz VJZLAMSTAIMPEC-UHFFFAOYSA-N 0 0 409.121 5.016 50 0 HKAARN O=C(c1cccc(Br)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000032796515 526751322 /nfs/dbraw/zinc/75/13/22/526751322.db2.gz VAFQXZNQKAKKDT-UHFFFAOYSA-N 0 0 409.121 5.016 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000032796674 526616593 /nfs/dbraw/zinc/61/65/93/526616593.db2.gz RCYPBKFIAHVUIM-UHFFFAOYSA-N 0 0 417.519 5.166 50 0 HKAARN Cc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1CCc1cccs1 ZINC000032797174 526202169 /nfs/dbraw/zinc/20/21/69/526202169.db2.gz QHUIMOFKLQDDOX-UHFFFAOYSA-N 0 0 407.004 5.439 50 0 HKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSCc1ccc(Cl)cc1 ZINC000032797492 521286664 /nfs/dbraw/zinc/28/66/64/521286664.db2.gz PEEILVBVENJZPU-UHFFFAOYSA-N 0 0 415.986 6.201 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000032800298 524237920 /nfs/dbraw/zinc/23/79/20/524237920.db2.gz NTLJWIMIEKJEDP-WDEREUQCSA-N 0 0 401.721 5.333 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000032800300 524239126 /nfs/dbraw/zinc/23/91/26/524239126.db2.gz NTLJWIMIEKJEDP-QWRGUYRKSA-N 0 0 401.721 5.333 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000032800301 524237315 /nfs/dbraw/zinc/23/73/15/524237315.db2.gz NTLJWIMIEKJEDP-GHMZBOCLSA-N 0 0 401.721 5.333 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000032800303 524240035 /nfs/dbraw/zinc/24/00/35/524240035.db2.gz NTLJWIMIEKJEDP-MNOVXSKESA-N 0 0 401.721 5.333 50 0 HKAARN O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)C(c1ccccc1)c1ccccc1 ZINC000032801011 527429310 /nfs/dbraw/zinc/42/93/10/527429310.db2.gz SKPBQWDCEPNRSI-NDEPHWFRSA-N 0 0 407.922 6.033 50 0 HKAARN O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)C(c1ccccc1)c1ccccc1 ZINC000032801014 527423668 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O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032802907 526647736 /nfs/dbraw/zinc/64/77/36/526647736.db2.gz RQMRHUPZMCKPDN-OLZOCXBDSA-N 0 0 423.460 5.477 50 0 HKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000032802909 526648316 /nfs/dbraw/zinc/64/83/16/526648316.db2.gz RQMRHUPZMCKPDN-STQMWFEESA-N 0 0 423.460 5.477 50 0 HKAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NC1CCC(C(F)(F)F)CC1 ZINC000032802945 526648158 /nfs/dbraw/zinc/64/81/58/526648158.db2.gz KUBDBLQFXXLEGF-UHFFFAOYSA-N 0 0 423.460 5.477 50 0 HKAARN CC(=O)Nc1ccc(N[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000032806135 519727362 /nfs/dbraw/zinc/72/73/62/519727362.db2.gz PNLNBXZVBLGJTA-MRXNPFEDSA-N 0 0 418.928 5.870 50 0 HKAARN CC(=O)Nc1ccc(N[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000032806137 519726824 /nfs/dbraw/zinc/72/68/24/519726824.db2.gz PNLNBXZVBLGJTA-INIZCTEOSA-N 0 0 418.928 5.870 50 0 HKAARN Cc1nc(CSCC(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)cs1 ZINC000032808619 558620598 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HKAARN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000032810723 525708119 /nfs/dbraw/zinc/70/81/19/525708119.db2.gz VJEGIVVKZIFPDT-SNVBAGLBSA-N 0 0 406.376 5.339 50 0 HKAARN C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000032810725 525657095 /nfs/dbraw/zinc/65/70/95/525657095.db2.gz VJEGIVVKZIFPDT-JTQLQIEISA-N 0 0 406.376 5.339 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000032810751 525766684 /nfs/dbraw/zinc/76/66/84/525766684.db2.gz PFBXOGCHMKQGBR-UHFFFAOYSA-N 0 0 401.535 5.241 50 0 HKAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000032816350 527390112 /nfs/dbraw/zinc/39/01/12/527390112.db2.gz ZKBHIVYIEIDQFW-UHFFFAOYSA-N 0 0 408.498 5.045 50 0 HKAARN O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000032816492 526528000 /nfs/dbraw/zinc/52/80/00/526528000.db2.gz KXCVVXNAPRGGEL-UHFFFAOYSA-N 0 0 419.264 5.246 50 0 HKAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000032817227 527197474 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O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1C1CC1 ZINC000032825977 527134600 /nfs/dbraw/zinc/13/46/00/527134600.db2.gz HGPKQOJTABMEKN-QFIPXVFZSA-N 0 0 405.885 5.043 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000032827263 525247541 /nfs/dbraw/zinc/24/75/41/525247541.db2.gz ZWWDMSPNEIHWRL-DEOSSOPVSA-N 0 0 414.505 5.233 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000032827266 525413575 /nfs/dbraw/zinc/41/35/75/525413575.db2.gz ZWWDMSPNEIHWRL-XMMPIXPASA-N 0 0 414.505 5.233 50 0 HKAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032827909 527318983 /nfs/dbraw/zinc/31/89/83/527318983.db2.gz GWANMMJPMKLHNE-NRFANRHFSA-N 0 0 417.559 6.007 50 0 HKAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032827911 527318156 /nfs/dbraw/zinc/31/81/56/527318156.db2.gz GWANMMJPMKLHNE-OAQYLSRUSA-N 0 0 417.559 6.007 50 0 HKAARN O=C(c1ccc(NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)nc1)N1CCCC1 ZINC000032828975 526700777 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COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccnc1 ZINC000032832152 524634298 /nfs/dbraw/zinc/63/42/98/524634298.db2.gz LCMJLPCCCZGPRF-UHFFFAOYSA-N 0 0 403.265 5.228 50 0 HKAARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OCc1cccnc1 ZINC000032832191 524627314 /nfs/dbraw/zinc/62/73/14/524627314.db2.gz FLOCPWCQHXWUDW-UHFFFAOYSA-N 0 0 403.265 5.228 50 0 HKAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccnc1 ZINC000032832194 524626743 /nfs/dbraw/zinc/62/67/43/524626743.db2.gz RFVOIJAQXCHCNL-UHFFFAOYSA-N 0 0 403.265 5.228 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1OCc1cccnc1 ZINC000032832197 524640725 /nfs/dbraw/zinc/64/07/25/524640725.db2.gz BSFSLHVPTKBLGL-UHFFFAOYSA-N 0 0 403.265 5.228 50 0 HKAARN CN(C)c1ccc(NC(=O)c2cc(Br)ccc2Cl)c(C(F)(F)F)c1 ZINC000032832455 522233293 /nfs/dbraw/zinc/23/32/93/522233293.db2.gz PAANNKQLRSCYSF-UHFFFAOYSA-N 0 0 421.644 5.440 50 0 HKAARN COc1ccc(OC)c(CCC(=O)N([C@@H](C)c2cccc3ccccc32)C2CC2)c1 ZINC000032832540 524816308 /nfs/dbraw/zinc/81/63/08/524816308.db2.gz CXEUOPVMKOXHMD-SFHVURJKSA-N 0 0 403.522 5.542 50 0 HKAARN COc1ccc(OC)c(CCC(=O)N([C@H](C)c2cccc3ccccc32)C2CC2)c1 ZINC000032832542 524815313 /nfs/dbraw/zinc/81/53/13/524815313.db2.gz CXEUOPVMKOXHMD-GOSISDBHSA-N 0 0 403.522 5.542 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1 ZINC000032832904 519005991 /nfs/dbraw/zinc/00/59/91/519005991.db2.gz YLWIFVHKCAYOMQ-UHFFFAOYSA-N 0 0 405.395 5.580 50 0 HKAARN O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000032833930 527608909 /nfs/dbraw/zinc/60/89/09/527608909.db2.gz DLPFZUJIFYLGCY-VMPITWQZSA-N 0 0 407.278 5.552 50 0 HKAARN CCc1ccc(N(C(C)=O)c2nc(COc3cc(Cl)ccc3Cl)cs2)cc1 ZINC000032836084 523957120 /nfs/dbraw/zinc/95/71/20/523957120.db2.gz HLOOQYGMTHKVOT-UHFFFAOYSA-N 0 0 421.349 6.276 50 0 HKAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc2c1 ZINC000032836526 526120250 /nfs/dbraw/zinc/12/02/50/526120250.db2.gz XCVOHDFSWUNHGS-UHFFFAOYSA-N 0 0 413.473 5.773 50 0 HKAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc2nccnc2c1 ZINC000032837037 527241617 /nfs/dbraw/zinc/24/16/17/527241617.db2.gz GQPLCBZMAWZJDI-UHFFFAOYSA-N 0 0 405.404 5.074 50 0 HKAARN O=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000032837271 527347237 /nfs/dbraw/zinc/34/72/37/527347237.db2.gz UPSVMGYGKHAKCV-UHFFFAOYSA-N 0 0 408.404 5.201 50 0 HKAARN CC(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)s1 ZINC000032837272 518326441 /nfs/dbraw/zinc/32/64/41/518326441.db2.gz JAVFIOUWYQODAK-UHFFFAOYSA-N 0 0 401.434 5.395 50 0 HKAARN Cc1occc1-c1nnc(SCc2noc(-c3cccs3)n2)n1-c1ccccc1 ZINC000032837597 526798919 /nfs/dbraw/zinc/79/89/19/526798919.db2.gz URVZAIZUCLYBEQ-UHFFFAOYSA-N 0 0 421.507 5.240 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(F)cc1F ZINC000032838800 526424965 /nfs/dbraw/zinc/42/49/65/526424965.db2.gz KFTZIDMJTFLZTG-JOCHJYFZSA-N 0 0 400.352 5.069 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(F)cc1F ZINC000032838803 526424654 /nfs/dbraw/zinc/42/46/54/526424654.db2.gz KFTZIDMJTFLZTG-QFIPXVFZSA-N 0 0 400.352 5.069 50 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Cc1nnc(Sc2nc(-c3ccsc3)nc3ccccc32)n1Cc1ccccc1 ZINC000032856117 526392285 /nfs/dbraw/zinc/39/22/85/526392285.db2.gz LWEDWQCMVCRWDO-UHFFFAOYSA-N 0 0 415.547 5.458 50 0 HKAARN Fc1ccccc1-c1nnc(Sc2ncnc3sccc32)n1Cc1ccccc1 ZINC000032857505 526407365 /nfs/dbraw/zinc/40/73/65/526407365.db2.gz YJXUGCFMLCLHRK-UHFFFAOYSA-N 0 0 419.510 5.288 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(-c3ccco3)n2C)n1 ZINC000032857532 527208783 /nfs/dbraw/zinc/20/87/83/527208783.db2.gz JSDJMHIDLDJMKW-UHFFFAOYSA-N 0 0 411.537 5.268 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000032857589 519481920 /nfs/dbraw/zinc/48/19/20/519481920.db2.gz IKXINGBWGSNPNL-SANMLTNESA-N 0 0 416.565 5.130 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000032857590 519483037 /nfs/dbraw/zinc/48/30/37/519483037.db2.gz IKXINGBWGSNPNL-AREMUKBSSA-N 0 0 416.565 5.130 50 0 HKAARN COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c43)CCCCC5)o2)cc1 ZINC000032857618 524168997 /nfs/dbraw/zinc/16/89/97/524168997.db2.gz 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ZINC000032868666 526000047 /nfs/dbraw/zinc/00/00/47/526000047.db2.gz OFPCAEVPLCEUDX-LBPRGKRZSA-N 0 0 410.886 5.058 50 0 HKAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccco3)nc3ccccc32)cc1 ZINC000032868672 519711587 /nfs/dbraw/zinc/71/15/87/519711587.db2.gz CSIQJKZLVIPOKM-CQSZACIVSA-N 0 0 417.490 5.212 50 0 HKAARN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccco3)nc3ccccc32)cc1 ZINC000032868673 519711524 /nfs/dbraw/zinc/71/15/24/519711524.db2.gz CSIQJKZLVIPOKM-AWEZNQCLSA-N 0 0 417.490 5.212 50 0 HKAARN COc1ccc(-c2noc(CSc3nc(-c4ccco4)nc4ccccc43)n2)cc1 ZINC000032868684 523296244 /nfs/dbraw/zinc/29/62/44/523296244.db2.gz DUVHQCNTEVVMFB-UHFFFAOYSA-N 0 0 416.462 5.241 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000032868873 523567210 /nfs/dbraw/zinc/56/72/10/523567210.db2.gz FEQPZXSYGPZUHA-UHFFFAOYSA-N 0 0 414.490 5.014 50 0 HKAARN CCc1c2cc(Br)ccc2oc1C(=O)c1ccc([C@@H](C)NC(C)=O)cc1 ZINC000032869589 523728887 /nfs/dbraw/zinc/72/88/87/523728887.db2.gz JEPZNVPDULJMBF-GFCCVEGCSA-N 0 0 414.299 5.186 50 0 HKAARN CCc1c2cc(Br)ccc2oc1C(=O)c1ccc([C@H](C)NC(C)=O)cc1 ZINC000032869590 523729040 /nfs/dbraw/zinc/72/90/40/523729040.db2.gz JEPZNVPDULJMBF-LBPRGKRZSA-N 0 0 414.299 5.186 50 0 HKAARN C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000032869730 525893275 /nfs/dbraw/zinc/89/32/75/525893275.db2.gz UJVRGOMYUBYPDG-MRXNPFEDSA-N 0 0 422.444 5.265 50 0 HKAARN C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000032869731 525888313 /nfs/dbraw/zinc/88/83/13/525888313.db2.gz UJVRGOMYUBYPDG-INIZCTEOSA-N 0 0 422.444 5.265 50 0 HKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H]3c3cccs3)c12 ZINC000032870622 526677323 /nfs/dbraw/zinc/67/73/23/526677323.db2.gz MTMGTFYCBBBWHJ-GOSISDBHSA-N 0 0 407.470 5.376 50 0 HKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H]3c3cccs3)c12 ZINC000032870624 526678240 /nfs/dbraw/zinc/67/82/40/526678240.db2.gz MTMGTFYCBBBWHJ-SFHVURJKSA-N 0 0 407.470 5.376 50 0 HKAARN FC(F)(F)c1cccc(-c2noc(CCCSc3nnc(-c4ccco4)o3)n2)c1 ZINC000032874010 527684308 /nfs/dbraw/zinc/68/43/08/527684308.db2.gz DQCRGVWFCCSZHY-UHFFFAOYSA-N 0 0 422.388 5.123 50 0 HKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2ccccc2n1 ZINC000032876151 526081109 /nfs/dbraw/zinc/08/11/09/526081109.db2.gz FVADNUATXSTYCT-GOSISDBHSA-N 0 0 409.489 5.320 50 0 HKAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2ccccc2n1 ZINC000032876153 526073668 /nfs/dbraw/zinc/07/36/68/526073668.db2.gz FVADNUATXSTYCT-SFHVURJKSA-N 0 0 409.489 5.320 50 0 HKAARN CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000032876580 521459747 /nfs/dbraw/zinc/45/97/47/521459747.db2.gz WXIONPHTXWYKAI-UHFFFAOYSA-N 0 0 423.582 5.121 50 0 HKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000032876770 526007180 /nfs/dbraw/zinc/00/71/80/526007180.db2.gz VSEDFYRGGQHCJF-AEFFLSMTSA-N 0 0 404.539 5.459 50 0 HKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000032876771 526008234 /nfs/dbraw/zinc/00/82/34/526008234.db2.gz VSEDFYRGGQHCJF-WMZOPIPTSA-N 0 0 404.539 5.459 50 0 HKAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)c1ccccc1 ZINC000032876772 526008906 /nfs/dbraw/zinc/00/89/06/526008906.db2.gz VSEDFYRGGQHCJF-SJLPKXTDSA-N 0 0 404.539 5.459 50 0 HKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)c1ccccc1 ZINC000032876773 526008146 /nfs/dbraw/zinc/00/81/46/526008146.db2.gz VSEDFYRGGQHCJF-FUHWJXTLSA-N 0 0 404.539 5.459 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2)o1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000032878770 526657636 /nfs/dbraw/zinc/65/76/36/526657636.db2.gz VMWAPTCUDYKRQR-UHFFFAOYSA-N 0 0 415.420 5.250 50 0 HKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(C(F)(F)F)c1 ZINC000032879123 526656464 /nfs/dbraw/zinc/65/64/64/526656464.db2.gz FILLWJOIBHUKDY-UHFFFAOYSA-N 0 0 408.807 5.263 50 0 HKAARN CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 ZINC000032879263 519796870 /nfs/dbraw/zinc/79/68/70/519796870.db2.gz SJNMPXAWWIBXFT-JOCHJYFZSA-N 0 0 422.916 5.317 50 0 HKAARN CCCc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 ZINC000032879725 521414573 /nfs/dbraw/zinc/41/45/73/521414573.db2.gz HSUOBIVVAKCXSJ-AUSIDOKSSA-N 0 0 422.525 5.171 50 0 HKAARN CCCc1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 ZINC000032879726 521418462 /nfs/dbraw/zinc/41/84/62/521418462.db2.gz HSUOBIVVAKCXSJ-XXBNENTESA-N 0 0 422.525 5.171 50 0 HKAARN CCCc1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 ZINC000032879727 521416589 /nfs/dbraw/zinc/41/65/89/521416589.db2.gz HSUOBIVVAKCXSJ-WMZHIEFXSA-N 0 0 422.525 5.171 50 0 HKAARN CCCc1ccc([C@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 ZINC000032879728 521418507 /nfs/dbraw/zinc/41/85/07/521418507.db2.gz HSUOBIVVAKCXSJ-CVDCTZTESA-N 0 0 422.525 5.171 50 0 HKAARN Cc1cc2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)n2c2ccccc12 ZINC000032879809 525688056 /nfs/dbraw/zinc/68/80/56/525688056.db2.gz OIMFCIJFPGNBRG-CYBMUJFWSA-N 0 0 409.465 5.789 50 0 HKAARN Cc1cc2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)n2c2ccccc12 ZINC000032879810 525688335 /nfs/dbraw/zinc/68/83/35/525688335.db2.gz 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ZINC000032882031 525240062 /nfs/dbraw/zinc/24/00/62/525240062.db2.gz UTEYOSOHIFNLEE-QFIPXVFZSA-N 0 0 422.500 5.566 50 0 HKAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000032882033 525406946 /nfs/dbraw/zinc/40/69/46/525406946.db2.gz UTEYOSOHIFNLEE-JOCHJYFZSA-N 0 0 422.500 5.566 50 0 HKAARN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000032882384 527435637 /nfs/dbraw/zinc/43/56/37/527435637.db2.gz LOECPEMOLGWAPP-UHFFFAOYSA-N 0 0 422.575 5.390 50 0 HKAARN O=C(COCc1nc2ccccc2s1)Nc1ccccc1Sc1ccccc1 ZINC000032882386 526942591 /nfs/dbraw/zinc/94/25/91/526942591.db2.gz UNSRYLDNQZIZKC-UHFFFAOYSA-N 0 0 406.532 5.603 50 0 HKAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000032882775 526646176 /nfs/dbraw/zinc/64/61/76/526646176.db2.gz UFAFFYHCBDLMQJ-UHFFFAOYSA-N 0 0 416.462 5.178 50 0 HKAARN O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000032882801 527141372 /nfs/dbraw/zinc/14/13/72/527141372.db2.gz KWEFRPDBEXBNIU-UHFFFAOYSA-N 0 0 407.376 5.079 50 0 HKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1 ZINC000032883708 558727232 /nfs/dbraw/zinc/72/72/32/558727232.db2.gz AOGKOFKPTRUWJJ-QGZVFWFLSA-N 0 0 402.494 5.026 50 0 HKAARN CCCc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 ZINC000032885637 521415122 /nfs/dbraw/zinc/41/51/22/521415122.db2.gz WFUNENBDQVNXOX-AUSIDOKSSA-N 0 0 404.535 5.032 50 0 HKAARN CCCc1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 ZINC000032885638 521418686 /nfs/dbraw/zinc/41/86/86/521418686.db2.gz WFUNENBDQVNXOX-XXBNENTESA-N 0 0 404.535 5.032 50 0 HKAARN CCCc1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 ZINC000032885639 521417480 /nfs/dbraw/zinc/41/74/80/521417480.db2.gz WFUNENBDQVNXOX-WMZHIEFXSA-N 0 0 404.535 5.032 50 0 HKAARN CCCc1ccc([C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 ZINC000032885640 521418041 /nfs/dbraw/zinc/41/80/41/521418041.db2.gz WFUNENBDQVNXOX-CVDCTZTESA-N 0 0 404.535 5.032 50 0 HKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2c1 ZINC000032885708 525635428 /nfs/dbraw/zinc/63/54/28/525635428.db2.gz FNUOCVIRSQPSPM-MRXNPFEDSA-N 0 0 424.928 5.081 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000032885725 526844201 /nfs/dbraw/zinc/84/42/01/526844201.db2.gz PBSQFKVNLGPOMJ-UHFFFAOYSA-N 0 0 405.882 5.420 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc2c(s1)CCCCC2 ZINC000032885734 527333684 /nfs/dbraw/zinc/33/36/84/527333684.db2.gz GWTUSSOBIZJTAZ-UHFFFAOYSA-N 0 0 403.960 5.370 50 0 HKAARN Cc1cc(C)n(CCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)n1 ZINC000032888518 524518332 /nfs/dbraw/zinc/51/83/32/524518332.db2.gz PAEHQCIJJGPOKW-UHFFFAOYSA-N 0 0 401.344 5.021 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032891684 519377355 /nfs/dbraw/zinc/37/73/55/519377355.db2.gz LWLKMSVOXAPOHA-UHFFFAOYSA-N 0 0 423.900 5.780 50 0 HKAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000032892828 526804561 /nfs/dbraw/zinc/80/45/61/526804561.db2.gz UPTDOCHAGWBIOA-UHFFFAOYSA-N 0 0 406.489 5.010 50 0 HKAARN Cc1nc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C2CC2)c1C ZINC000032894065 527019440 /nfs/dbraw/zinc/01/94/40/527019440.db2.gz SNQAHUAZOXUBTC-UHFFFAOYSA-N 0 0 407.539 5.145 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)ccc2Cl)cc1OC ZINC000032895168 525247790 /nfs/dbraw/zinc/24/77/90/525247790.db2.gz MBFCQJRFOQQBAK-INIZCTEOSA-N 0 0 424.722 5.097 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)ccc2Cl)cc1OC ZINC000032895169 525413536 /nfs/dbraw/zinc/41/35/36/525413536.db2.gz MBFCQJRFOQQBAK-MRXNPFEDSA-N 0 0 424.722 5.097 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000032895172 525243603 /nfs/dbraw/zinc/24/36/03/525243603.db2.gz QIAHDCQCPLEUDS-DEOSSOPVSA-N 0 0 415.533 5.590 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000032895173 525408927 /nfs/dbraw/zinc/40/89/27/525408927.db2.gz QIAHDCQCPLEUDS-XMMPIXPASA-N 0 0 415.533 5.590 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000032895196 525246305 /nfs/dbraw/zinc/24/63/05/525246305.db2.gz SITXDMZZVZWNQS-KDOFPFPSSA-N 0 0 405.947 5.202 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000032895197 525409878 /nfs/dbraw/zinc/40/98/78/525409878.db2.gz SITXDMZZVZWNQS-RDTXWAMCSA-N 0 0 405.947 5.202 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000032895198 525247764 /nfs/dbraw/zinc/24/77/64/525247764.db2.gz SITXDMZZVZWNQS-KSSFIOAISA-N 0 0 405.947 5.202 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000032895199 525411951 /nfs/dbraw/zinc/41/19/51/525411951.db2.gz SITXDMZZVZWNQS-KBXCAEBGSA-N 0 0 405.947 5.202 50 0 HKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000032895237 523561818 /nfs/dbraw/zinc/56/18/18/523561818.db2.gz IKRVBWUKRVYCRM-UHFFFAOYSA-N 0 0 423.488 5.531 50 0 HKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1sc2ccccc2c1Cl ZINC000032895253 523563948 /nfs/dbraw/zinc/56/39/48/523563948.db2.gz PYDIPOKGMMBYLM-UHFFFAOYSA-N 0 0 405.857 5.572 50 0 HKAARN Cc1cc(N2CCCC2)ccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000032895986 525058553 /nfs/dbraw/zinc/05/85/53/525058553.db2.gz XMYJCMITMXLUAB-UHFFFAOYSA-N 0 0 418.541 5.340 50 0 HKAARN CCOc1c(Br)cc(F)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000032899265 520593929 /nfs/dbraw/zinc/59/39/29/520593929.db2.gz IMQCGLPAMAYZEZ-UHFFFAOYSA-N 0 0 408.601 5.171 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000032899374 526739717 /nfs/dbraw/zinc/73/97/17/526739717.db2.gz JGCQXCZEQFGJAE-UHFFFAOYSA-N 0 0 418.518 5.354 50 0 HKAARN CN(Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)[C@@H]1CCCc2ccccc21 ZINC000032899421 523617258 /nfs/dbraw/zinc/61/72/58/523617258.db2.gz AHVRKDORSYSHEE-JOCHJYFZSA-N 0 0 404.583 5.307 50 0 HKAARN CN(Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)[C@H]1CCCc2ccccc21 ZINC000032899422 523621600 /nfs/dbraw/zinc/62/16/00/523621600.db2.gz AHVRKDORSYSHEE-QFIPXVFZSA-N 0 0 404.583 5.307 50 0 HKAARN c1nc(Sc2nc(-c3cccnc3)nc3ccccc32)n(C2CC2)c1-c1ccccc1 ZINC000032899486 526601794 /nfs/dbraw/zinc/60/17/94/526601794.db2.gz KRKNVOKKEJQCAK-UHFFFAOYSA-N 0 0 421.529 6.041 50 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/nfs/dbraw/zinc/30/09/87/518300987.db2.gz SLMQULKDMJBGTL-OAHLLOKOSA-N 0 0 406.507 5.036 50 0 HKAARN CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000032900351 518302130 /nfs/dbraw/zinc/30/21/30/518302130.db2.gz SLMQULKDMJBGTL-HNNXBMFYSA-N 0 0 406.507 5.036 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032900464 526745642 /nfs/dbraw/zinc/74/56/42/526745642.db2.gz YPAKVRMQPRHCLQ-UHFFFAOYSA-N 0 0 404.894 5.238 50 0 HKAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000032900614 526040380 /nfs/dbraw/zinc/04/03/80/526040380.db2.gz NCFZEWVAPRDWDF-UHFFFAOYSA-N 0 0 401.466 5.241 50 0 HKAARN CCc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000032900623 523878542 /nfs/dbraw/zinc/87/85/42/523878542.db2.gz HWTHAIRSRPUONN-UHFFFAOYSA-N 0 0 415.493 5.495 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000032901287 524241353 /nfs/dbraw/zinc/24/13/53/524241353.db2.gz GDUKDVUULRXZJG-UHFFFAOYSA-N 0 0 413.886 5.482 50 0 HKAARN O=C(CSc1ccncc1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000032901472 527047797 /nfs/dbraw/zinc/04/77/97/527047797.db2.gz NCULGDDEEDOUCM-UHFFFAOYSA-N 0 0 410.449 5.224 50 0 HKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000032901962 527478929 /nfs/dbraw/zinc/47/89/29/527478929.db2.gz OJQLOUAFLLGXIY-UHFFFAOYSA-N 0 0 411.549 5.297 50 0 HKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1SCc1cscn1 ZINC000032902031 527514189 /nfs/dbraw/zinc/51/41/89/527514189.db2.gz JUQQVVDZXMDRKJ-UHFFFAOYSA-N 0 0 417.968 5.951 50 0 HKAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cnc2ccccc2c1C(F)(F)F ZINC000032902064 527323113 /nfs/dbraw/zinc/32/31/13/527323113.db2.gz CEHKFVAYBVWAGU-VAWYXSNFSA-N 0 0 419.406 6.071 50 0 HKAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032902435 527135562 /nfs/dbraw/zinc/13/55/62/527135562.db2.gz SPMKNCNMGNSKBF-LJQANCHMSA-N 0 0 414.461 5.184 50 0 HKAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032902436 527136100 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CC(C)c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C1CC1 ZINC000032913792 519891540 /nfs/dbraw/zinc/89/15/40/519891540.db2.gz YEPIQCSELSXQRV-UHFFFAOYSA-N 0 0 404.992 5.729 50 0 HKAARN Cc1cc(=O)n(-c2ccc(C(C)C)cc2)c(C)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000032913811 526135098 /nfs/dbraw/zinc/13/50/98/526135098.db2.gz KVSLKMDPEOPVGN-UHFFFAOYSA-N 0 0 402.538 5.953 50 0 HKAARN COc1ccc(Oc2ncccc2NC(=O)COc2cccc3ccccc32)cc1 ZINC000032915370 524995741 /nfs/dbraw/zinc/99/57/41/524995741.db2.gz ZENXRTPFVUFGHB-UHFFFAOYSA-N 0 0 400.434 5.053 50 0 HKAARN COc1cc(C(=O)Nc2c3ncsc3ccc2Cl)cc(Cl)c1OC(C)C ZINC000032915709 522149350 /nfs/dbraw/zinc/14/93/50/522149350.db2.gz IGRDZEJELCSNDP-UHFFFAOYSA-N 0 0 411.310 5.651 50 0 HKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1nc(-c2ccccc2)cs1 ZINC000032915813 527089323 /nfs/dbraw/zinc/08/93/23/527089323.db2.gz XGQSYUVWJLNNBM-UHFFFAOYSA-N 0 0 420.494 5.578 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)CCCc3nc(C(C)C)no3)s2)cc1Cl ZINC000032915837 524694615 /nfs/dbraw/zinc/69/46/15/524694615.db2.gz 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ZINC000032922760 527198558 /nfs/dbraw/zinc/19/85/58/527198558.db2.gz CDJXYIXEIIOPTK-UHFFFAOYSA-N 0 0 405.807 5.074 50 0 HKAARN S=c1n(CN(C2CC2)C2CCCC2)nc(COc2ccccc2Cl)n1C1CC1 ZINC000032923196 526388959 /nfs/dbraw/zinc/38/89/59/526388959.db2.gz QHOYVVOBJPBLSJ-UHFFFAOYSA-N 0 0 418.994 5.346 50 0 HKAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000032924239 526675992 /nfs/dbraw/zinc/67/59/92/526675992.db2.gz XVKXBHAJLHNNMO-UHFFFAOYSA-N 0 0 409.342 5.379 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc2cccc(Br)c2o1 ZINC000032924439 523568152 /nfs/dbraw/zinc/56/81/52/523568152.db2.gz MYZXXBIFHOZNEQ-UHFFFAOYSA-N 0 0 401.285 5.077 50 0 HKAARN Cc1ccc(Sc2ccc(NC(=O)c3cnc4cc(C)ccn4c3=O)cc2)c(C)c1 ZINC000032926098 525673062 /nfs/dbraw/zinc/67/30/62/525673062.db2.gz RLBLHQKHTFPBIS-UHFFFAOYSA-N 0 0 415.518 5.023 50 0 HKAARN c1cnn(-c2ccc(CNc3nc(-c4cccnc4)nc4sc5c(c43)CCC5)cc2)c1 ZINC000032926997 526551700 /nfs/dbraw/zinc/55/17/00/526551700.db2.gz QELAKFIYWWSFLD-UHFFFAOYSA-N 0 0 424.533 5.040 50 0 HKAARN c1cc(CNc2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)n[nH]1 ZINC000032927043 526429517 /nfs/dbraw/zinc/42/95/17/526429517.db2.gz WISZKRQDIPDWOG-UHFFFAOYSA-N 0 0 407.568 5.198 50 0 HKAARN CN(Cc1nc2ccccc2s1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000032927786 523572166 /nfs/dbraw/zinc/57/21/66/523572166.db2.gz GEQFHATXYWJOAX-UHFFFAOYSA-N 0 0 421.758 5.077 50 0 HKAARN COc1ccc(-c2nn3c(nc(C)cc3N[C@@H](C)c3ccccc3)c2C)cc1OC ZINC000032929397 523250737 /nfs/dbraw/zinc/25/07/37/523250737.db2.gz SDOGPNDPHHVJMF-KRWDZBQOSA-N 0 0 402.498 5.203 50 0 HKAARN COc1ccc(-c2nn3c(nc(C)cc3N[C@H](C)c3ccccc3)c2C)cc1OC ZINC000032929398 523248925 /nfs/dbraw/zinc/24/89/25/523248925.db2.gz SDOGPNDPHHVJMF-QGZVFWFLSA-N 0 0 402.498 5.203 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930131 525243584 /nfs/dbraw/zinc/24/35/84/525243584.db2.gz YIEZWLBMVCHYRO-UHFFFAOYSA-N 0 0 416.502 5.201 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1NS(=O)(=O)c1ccccc1 ZINC000032930139 525235370 /nfs/dbraw/zinc/23/53/70/525235370.db2.gz HOKOZIOKVAHVMW-UHFFFAOYSA-N 0 0 422.531 5.263 50 0 HKAARN CC(=O)c1cc(CCC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)oc1C ZINC000032930417 518275865 /nfs/dbraw/zinc/27/58/65/518275865.db2.gz PAIHIYUKUWRJBE-UHFFFAOYSA-N 0 0 423.553 5.043 50 0 HKAARN COc1ccc(NC(=O)CCCc2cccs2)cc1NC(=O)c1cccc(F)c1 ZINC000032931493 524477627 /nfs/dbraw/zinc/47/76/27/524477627.db2.gz IFYHAKODAZDTIT-UHFFFAOYSA-N 0 0 412.486 5.110 50 0 HKAARN COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 ZINC000032931496 524518305 /nfs/dbraw/zinc/51/83/05/524518305.db2.gz STOPAEFFENAPMD-MRXNPFEDSA-N 0 0 406.457 5.219 50 0 HKAARN COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 ZINC000032931497 524521776 /nfs/dbraw/zinc/52/17/76/524521776.db2.gz STOPAEFFENAPMD-INIZCTEOSA-N 0 0 406.457 5.219 50 0 HKAARN CC1(C)Oc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cc2O1 ZINC000032931709 520614872 /nfs/dbraw/zinc/61/48/72/520614872.db2.gz SIFZYVLJVCLGFY-UHFFFAOYSA-N 0 0 400.887 5.152 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000032931965 525247034 /nfs/dbraw/zinc/24/70/34/525247034.db2.gz FTXSBRZWZGJRTB-UHFFFAOYSA-N 0 0 416.905 5.970 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(F)c(F)c1 ZINC000032932006 525246162 /nfs/dbraw/zinc/24/61/62/525246162.db2.gz TUUMHGORAPBDRE-UHFFFAOYSA-N 0 0 424.831 5.632 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl ZINC000032932136 527181732 /nfs/dbraw/zinc/18/17/32/527181732.db2.gz GYFFYGFJPMHAMD-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)cc1 ZINC000032932163 521114640 /nfs/dbraw/zinc/11/46/40/521114640.db2.gz BDMZXIBCCQKXHI-UHFFFAOYSA-N 0 0 406.873 5.033 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl ZINC000032932172 527181649 /nfs/dbraw/zinc/18/16/49/527181649.db2.gz DDICAOVCWRATOI-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000032932183 526207686 /nfs/dbraw/zinc/20/76/86/526207686.db2.gz WWHFPNIWYXHWTH-NSHDSACASA-N 0 0 417.456 5.082 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1Cl ZINC000032932184 527180974 /nfs/dbraw/zinc/18/09/74/527180974.db2.gz FVYFGHXVYGDXGQ-UHFFFAOYSA-N 0 0 411.292 5.596 50 0 HKAARN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000032932185 526207747 /nfs/dbraw/zinc/20/77/47/526207747.db2.gz WWHFPNIWYXHWTH-LLVKDONJSA-N 0 0 417.456 5.082 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Cl ZINC000032932194 527181359 /nfs/dbraw/zinc/18/13/59/527181359.db2.gz KKKXNCDKPPSSLK-UHFFFAOYSA-N 0 0 404.901 5.560 50 0 HKAARN CSc1cccc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c1 ZINC000032932202 526135091 /nfs/dbraw/zinc/13/50/91/526135091.db2.gz PAZGBVGHVHWQHH-UHFFFAOYSA-N 0 0 408.914 5.357 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(-n2c(C)nc3cccnc32)c1 ZINC000032932212 521550035 /nfs/dbraw/zinc/55/00/35/521550035.db2.gz XABMMQCIECWDFP-UHFFFAOYSA-N 0 0 406.873 5.033 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1Cl ZINC000032932214 527181116 /nfs/dbraw/zinc/18/11/16/527181116.db2.gz SMPAJTNEMYEAPQ-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1Cl ZINC000032932217 527182066 /nfs/dbraw/zinc/18/20/66/527182066.db2.gz BYXVSOONXRBRKN-UHFFFAOYSA-N 0 0 415.255 5.427 50 0 HKAARN Cc1nnc2sc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)c2c1C ZINC000032932384 526423968 /nfs/dbraw/zinc/42/39/68/526423968.db2.gz RFBJYLRLLKPTEO-UHFFFAOYSA-N 0 0 401.706 5.103 50 0 HKAARN Cc1noc(C)c1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC000032932758 526518140 /nfs/dbraw/zinc/51/81/40/526518140.db2.gz OFUYZBIPPCXFOO-UHFFFAOYSA-N 0 0 407.367 5.314 50 0 HKAARN O=C(OCc1ccccc1C(F)(F)F)c1nc(NCc2ccccc2)ncc1Cl ZINC000032933280 526426540 /nfs/dbraw/zinc/42/65/40/526426540.db2.gz PAUJCGKNOZTZNI-UHFFFAOYSA-N 0 0 421.806 5.118 50 0 HKAARN c1csc(CNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)n1 ZINC000032935562 526582503 /nfs/dbraw/zinc/58/25/03/526582503.db2.gz LDDIPENLYQCVPO-UHFFFAOYSA-N 0 0 410.593 5.541 50 0 HKAARN Cc1cccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935662 524916298 /nfs/dbraw/zinc/91/62/98/524916298.db2.gz HKERHONMNNPXHX-OAHLLOKOSA-N 0 0 411.908 5.385 50 0 HKAARN Cc1cccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c21 ZINC000032935663 524916932 /nfs/dbraw/zinc/91/69/32/524916932.db2.gz HKERHONMNNPXHX-HNNXBMFYSA-N 0 0 411.908 5.385 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)cc1OC ZINC000032936503 525247900 /nfs/dbraw/zinc/24/79/00/525247900.db2.gz QLUBECHEWHTMNI-IBGZPJMESA-N 0 0 422.550 5.037 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)cc1OC ZINC000032936505 525413275 /nfs/dbraw/zinc/41/32/75/525413275.db2.gz QLUBECHEWHTMNI-LJQANCHMSA-N 0 0 422.550 5.037 50 0 HKAARN O=C1CCCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000032940054 526973928 /nfs/dbraw/zinc/97/39/28/526973928.db2.gz OMELHYOWAWHXDJ-HXUWFJFHSA-N 0 0 422.941 5.673 50 0 HKAARN O=C1CCCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000032940056 526971800 /nfs/dbraw/zinc/97/18/00/526971800.db2.gz OMELHYOWAWHXDJ-FQEVSTJZSA-N 0 0 422.941 5.673 50 0 HKAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000032942917 526913663 /nfs/dbraw/zinc/91/36/63/526913663.db2.gz HTYKGVWZRRSULI-UHFFFAOYSA-N 0 0 416.260 5.581 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000032943014 525766864 /nfs/dbraw/zinc/76/68/64/525766864.db2.gz PCNXILQDPJVOGS-UHFFFAOYSA-N 0 0 408.310 5.224 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000032943020 524745150 /nfs/dbraw/zinc/74/51/50/524745150.db2.gz WNFVZOLWIGANCE-UHFFFAOYSA-N 0 0 408.310 5.224 50 0 HKAARN Cc1ccc(NC(=O)CSCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000032943026 525074221 /nfs/dbraw/zinc/07/42/21/525074221.db2.gz LUAJTYGTKCRAFA-UHFFFAOYSA-N 0 0 408.310 5.224 50 0 HKAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1C ZINC000032943556 525324566 /nfs/dbraw/zinc/32/45/66/525324566.db2.gz RPCJSZTUEIBNCL-UHFFFAOYSA-N 0 0 409.555 5.016 50 0 HKAARN Cc1cc(C)cc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)c1 ZINC000032943557 524439605 /nfs/dbraw/zinc/43/96/05/524439605.db2.gz PWCPADXKQNJVGF-UHFFFAOYSA-N 0 0 409.555 5.016 50 0 HKAARN Cc1cc(C(=O)NCCC2=CCCCC2)c(C)n1-c1ccc(N2CCCCC2)nc1 ZINC000032944438 526265885 /nfs/dbraw/zinc/26/58/85/526265885.db2.gz VLCUJQKAUKEDTF-UHFFFAOYSA-N 0 0 406.574 5.100 50 0 HKAARN COc1ccc(-c2nc(CSc3n[nH]c(-c4ccc(C)cc4)n3)cs2)cc1OC ZINC000032944907 523214816 /nfs/dbraw/zinc/21/48/16/523214816.db2.gz YHGGQQPFXYVLEW-UHFFFAOYSA-N 0 0 424.551 5.213 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N2CCc3ccccc32)n1 ZINC000032945186 527205858 /nfs/dbraw/zinc/20/58/58/527205858.db2.gz VLSMYNNKIOWKIL-UHFFFAOYSA-N 0 0 417.559 5.348 50 0 HKAARN COc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1OC ZINC000032945406 523213011 /nfs/dbraw/zinc/21/30/11/523213011.db2.gz DFFKBUMRUHMDNP-UHFFFAOYSA-N 0 0 417.556 5.550 50 0 HKAARN Cc1cc(C)c(C)c(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c1C ZINC000032945464 524247704 /nfs/dbraw/zinc/24/77/04/524247704.db2.gz GILVCYVUFYFETC-MRXNPFEDSA-N 0 0 414.502 5.557 50 0 HKAARN Cc1cc(C)c(C)c(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c1C ZINC000032945465 524247261 /nfs/dbraw/zinc/24/72/61/524247261.db2.gz GILVCYVUFYFETC-INIZCTEOSA-N 0 0 414.502 5.557 50 0 HKAARN Cc1cc(C)c(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)cc1C ZINC000032947438 524244826 /nfs/dbraw/zinc/24/48/26/524244826.db2.gz PFQZJBNKUFZIOH-UHFFFAOYSA-N 0 0 416.344 5.388 50 0 HKAARN Cc1ccc(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)c(C)c1 ZINC000032947445 526242548 /nfs/dbraw/zinc/24/25/48/526242548.db2.gz PWVXCKCHGGBYEC-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1ccc(C)c(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)c1 ZINC000032947447 524089876 /nfs/dbraw/zinc/08/98/76/524089876.db2.gz RCWVQGJMWKOANS-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1 ZINC000032947469 524245420 /nfs/dbraw/zinc/24/54/20/524245420.db2.gz ITYJDCOJMRWGAB-UHFFFAOYSA-N 0 0 401.919 5.287 50 0 HKAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c(C)c1 ZINC000032947498 525325112 /nfs/dbraw/zinc/32/51/12/525325112.db2.gz WZWQCQHZGQRFHO-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1 ZINC000032947525 524160707 /nfs/dbraw/zinc/16/07/07/524160707.db2.gz BQDSNUOZJRJERY-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN CC(C)c1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)cc1 ZINC000032947605 519837862 /nfs/dbraw/zinc/83/78/62/519837862.db2.gz MFKZBNYLPIFEGR-UHFFFAOYSA-N 0 0 416.344 5.586 50 0 HKAARN CCc1cccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1 ZINC000032947641 521773310 /nfs/dbraw/zinc/77/33/10/521773310.db2.gz VOEHSCYWSGHMHZ-UHFFFAOYSA-N 0 0 402.317 5.025 50 0 HKAARN CCc1cccc(C)c1Nc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 ZINC000032947714 524066117 /nfs/dbraw/zinc/06/61/17/524066117.db2.gz JWXGCEHMKCFOBE-UHFFFAOYSA-N 0 0 416.344 5.333 50 0 HKAARN Cc1cccc(C)c1Nc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 ZINC000032947734 524303414 /nfs/dbraw/zinc/30/34/14/524303414.db2.gz GXACWQSTCICEQX-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN COc1ccc(Nc2nc(N)c(C(=O)c3cc(C)c(C)cc3C)s2)cc1Cl ZINC000032947759 524717263 /nfs/dbraw/zinc/71/72/63/524717263.db2.gz BSHWUZOHXIXQRN-UHFFFAOYSA-N 0 0 401.919 5.287 50 0 HKAARN CSc1cccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1 ZINC000032947776 526140346 /nfs/dbraw/zinc/14/03/46/526140346.db2.gz OGTYYSMJYAALSG-UHFFFAOYSA-N 0 0 420.357 5.184 50 0 HKAARN Cc1cc(C)cc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1 ZINC000032947801 524438548 /nfs/dbraw/zinc/43/85/48/524438548.db2.gz RTYDRZJBMZBJKM-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1cccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)c1C ZINC000032947830 524700437 /nfs/dbraw/zinc/70/04/37/524700437.db2.gz HFURVFWFTLXTNS-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1cc(C)c(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)cc1C ZINC000032947959 524245429 /nfs/dbraw/zinc/24/54/29/524245429.db2.gz ASQPLWAQUHKAGR-UHFFFAOYSA-N 0 0 416.344 5.388 50 0 HKAARN Cc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)c(C)c1 ZINC000032947961 526242522 /nfs/dbraw/zinc/24/25/22/526242522.db2.gz XWOJALSFYDAVRW-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1ccc(C)c(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)c1 ZINC000032947963 524089545 /nfs/dbraw/zinc/08/95/45/524089545.db2.gz SBZCHFXMKZAMPX-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1c(Cl)cccc1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000032948073 525780920 /nfs/dbraw/zinc/78/09/20/525780920.db2.gz GJCIQALRAROJCX-UHFFFAOYSA-N 0 0 422.735 5.424 50 0 HKAARN Cc1ccc(Nc2nc(N)c(C(=O)c3cccc(Br)c3)s2)c(C)c1 ZINC000032948074 525324491 /nfs/dbraw/zinc/32/44/91/525324491.db2.gz LVPQCSVWUVWXBX-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3cccc(Br)c3)s2)c1 ZINC000032948076 524160351 /nfs/dbraw/zinc/16/03/51/524160351.db2.gz HTUXJNPJFYDKML-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN CC(C)c1ccc(Nc2nc(N)c(C(=O)c3cccc(Br)c3)s2)cc1 ZINC000032948080 519837836 /nfs/dbraw/zinc/83/78/36/519837836.db2.gz ZBWAOEPCQFHSKW-UHFFFAOYSA-N 0 0 416.344 5.586 50 0 HKAARN Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1cccc(Br)c1 ZINC000032948081 527557754 /nfs/dbraw/zinc/55/77/54/527557754.db2.gz AWEAGBPFDWMKCU-UHFFFAOYSA-N 0 0 408.708 5.116 50 0 HKAARN CCc1ccccc1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000032948083 521911877 /nfs/dbraw/zinc/91/18/77/521911877.db2.gz YKSGONUUIDLERM-UHFFFAOYSA-N 0 0 402.317 5.025 50 0 HKAARN CCc1cccc(C)c1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000032948085 524066275 /nfs/dbraw/zinc/06/62/75/524066275.db2.gz MYQLJFNECUNESE-UHFFFAOYSA-N 0 0 416.344 5.333 50 0 HKAARN Cc1cccc(C)c1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000032948087 524304249 /nfs/dbraw/zinc/30/42/49/524304249.db2.gz QDSGBVJMIYCPMY-UHFFFAOYSA-N 0 0 402.317 5.079 50 0 HKAARN CSc1cccc(Nc2nc(N)c(C(=O)c3cccc(Br)c3)s2)c1 ZINC000032948089 526140498 /nfs/dbraw/zinc/14/04/98/526140498.db2.gz SRMUXPRYEZBVLR-UHFFFAOYSA-N 0 0 420.357 5.184 50 0 HKAARN Cc1cc(Cl)ccc1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000032948095 524903288 /nfs/dbraw/zinc/90/32/88/524903288.db2.gz OSNRAPISWALAQK-UHFFFAOYSA-N 0 0 422.735 5.424 50 0 HKAARN Nc1nc(Nc2ccc(Br)cc2)sc1C(=O)c1cccc(Cl)c1 ZINC000032948097 527558056 /nfs/dbraw/zinc/55/80/56/527558056.db2.gz MGTLFXZNTSKXNE-UHFFFAOYSA-N 0 0 408.708 5.116 50 0 HKAARN Nc1nc(Nc2cccc(Br)c2)sc1C(=O)c1cccc(Cl)c1 ZINC000032948117 527557836 /nfs/dbraw/zinc/55/78/36/527557836.db2.gz YOGRKQQLBDBSBW-UHFFFAOYSA-N 0 0 408.708 5.116 50 0 HKAARN CCc1ccc(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)cc1 ZINC000032948149 523898393 /nfs/dbraw/zinc/89/83/93/523898393.db2.gz VHEXCJXROQAQOK-UHFFFAOYSA-N 0 0 402.317 5.025 50 0 HKAARN CCc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)cc1 ZINC000032948179 523898596 /nfs/dbraw/zinc/89/85/96/523898596.db2.gz JSECFHJUAOERON-UHFFFAOYSA-N 0 0 402.317 5.025 50 0 HKAARN O=c1[nH]c(SCc2ccccc2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948336 527441697 /nfs/dbraw/zinc/44/16/97/527441697.db2.gz DXACSIJQFCEAOV-UHFFFAOYSA-N 0 0 417.968 5.450 50 0 HKAARN O=c1[nH]c(SCc2ccccc2Cl)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948499 527441925 /nfs/dbraw/zinc/44/19/25/527441925.db2.gz UFSSRNBPXODCCR-UHFFFAOYSA-N 0 0 417.968 5.450 50 0 HKAARN O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948501 527441046 /nfs/dbraw/zinc/44/10/46/527441046.db2.gz OATCEABEDSVYHM-UHFFFAOYSA-N 0 0 417.968 5.450 50 0 HKAARN O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948503 527441738 /nfs/dbraw/zinc/44/17/38/527441738.db2.gz AZTOXYOAXASUOD-UHFFFAOYSA-N 0 0 417.968 5.450 50 0 HKAARN Cc1ccccc1-n1c2nc(SCc3ccccc3F)[nH]c(=O)c2sc1=S ZINC000032948676 525026814 /nfs/dbraw/zinc/02/68/14/525026814.db2.gz RNBMYJLCVHUWAW-UHFFFAOYSA-N 0 0 415.540 5.245 50 0 HKAARN O=C(Nc1ccccc1Br)NC(Cc1ccccc1)Cc1ccccc1 ZINC000032948707 527405970 /nfs/dbraw/zinc/40/59/70/527405970.db2.gz IMFZQLOEAXLODY-UHFFFAOYSA-N 0 0 409.327 5.425 50 0 HKAARN O=C(Nc1ccc(F)cc1)N1CCC(n2c3ncccc3nc2-c2ccccc2)CC1 ZINC000032950125 527199803 /nfs/dbraw/zinc/19/98/03/527199803.db2.gz XHFSRDYJLAJTLC-UHFFFAOYSA-N 0 0 415.472 5.106 50 0 HKAARN CC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000032950140 519460880 /nfs/dbraw/zinc/46/08/80/519460880.db2.gz 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ZINC000032950157 524425163 /nfs/dbraw/zinc/42/51/63/524425163.db2.gz MRVQDPYRIDXTNB-UHFFFAOYSA-N 0 0 405.546 5.116 50 0 HKAARN CCc1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950191 521888343 /nfs/dbraw/zinc/88/83/43/521888343.db2.gz LIIPABQNUHUYHM-UHFFFAOYSA-N 0 0 405.546 5.061 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(C)c1 ZINC000032950195 525122084 /nfs/dbraw/zinc/12/20/84/525122084.db2.gz REUBILBASYACLY-UHFFFAOYSA-N 0 0 405.546 5.116 50 0 HKAARN CSc1cccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c1 ZINC000032950233 526117725 /nfs/dbraw/zinc/11/77/25/526117725.db2.gz TZZDNIQXIPQQAV-UHFFFAOYSA-N 0 0 423.586 5.221 50 0 HKAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000032950656 526467640 /nfs/dbraw/zinc/46/76/40/526467640.db2.gz PHWPBVJQYAVPER-UHFFFAOYSA-N 0 0 408.864 5.318 50 0 HKAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccccc1Cl ZINC000032950659 526467109 /nfs/dbraw/zinc/46/71/09/526467109.db2.gz PHHYXYCJOYBXTJ-UHFFFAOYSA-N 0 0 408.864 5.318 50 0 HKAARN CCc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000032950666 523984832 /nfs/dbraw/zinc/98/48/32/523984832.db2.gz CXQQGNLMAKBOCR-UHFFFAOYSA-N 0 0 402.473 5.227 50 0 HKAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000032950669 526467555 /nfs/dbraw/zinc/46/75/55/526467555.db2.gz BPPFLULGUPMKCR-UHFFFAOYSA-N 0 0 408.864 5.318 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1C ZINC000032950673 525160236 /nfs/dbraw/zinc/16/02/36/525160236.db2.gz QCFDWLBYIFDKIY-UHFFFAOYSA-N 0 0 402.473 5.281 50 0 HKAARN Cc1ccc(C)c(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950676 524147027 /nfs/dbraw/zinc/14/70/27/524147027.db2.gz MVXCQKFJLJZCMP-UHFFFAOYSA-N 0 0 402.473 5.281 50 0 HKAARN Cc1ccc(-c2cc(C(=O)OCc3cn4cc(Cl)ccc4n3)c3ccccc3n2)o1 ZINC000032950679 525729013 /nfs/dbraw/zinc/72/90/13/525729013.db2.gz MNLFVHYNHKPNAG-UHFFFAOYSA-N 0 0 417.852 5.461 50 0 HKAARN Cc1cc(C)cc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950680 524428002 /nfs/dbraw/zinc/42/80/02/524428002.db2.gz RZCTXJSWSUOSDP-UHFFFAOYSA-N 0 0 402.473 5.281 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c(Cl)c1 ZINC000032950682 525159573 /nfs/dbraw/zinc/15/95/73/525159573.db2.gz DWGFFRDKKUTKBQ-UHFFFAOYSA-N 0 0 422.891 5.626 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950694 524751911 /nfs/dbraw/zinc/75/19/11/524751911.db2.gz LJEZYOVYNVQKHT-UHFFFAOYSA-N 0 0 422.891 5.626 50 0 HKAARN CCOc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950707 521540721 /nfs/dbraw/zinc/54/07/21/521540721.db2.gz JVVMGWDEOOAMGU-UHFFFAOYSA-N 0 0 418.472 5.063 50 0 HKAARN CCOc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000032950712 521094366 /nfs/dbraw/zinc/09/43/66/521094366.db2.gz MGZSKJGHZDKMJG-UHFFFAOYSA-N 0 0 418.472 5.063 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950722 525773213 /nfs/dbraw/zinc/77/32/13/525773213.db2.gz SQDSUAKTPXDEPV-UHFFFAOYSA-N 0 0 422.891 5.626 50 0 HKAARN CCc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950730 521896074 /nfs/dbraw/zinc/89/60/74/521896074.db2.gz RFHLXTFVFJYIPX-UHFFFAOYSA-N 0 0 402.473 5.227 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c(C)c1 ZINC000032950732 525159934 /nfs/dbraw/zinc/15/99/34/525159934.db2.gz WYBZXAWVRJFVFM-UHFFFAOYSA-N 0 0 402.473 5.281 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1F ZINC000032950744 525160013 /nfs/dbraw/zinc/16/00/13/525160013.db2.gz GFOYJCSKGJCARP-UHFFFAOYSA-N 0 0 406.436 5.112 50 0 HKAARN CSc1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950792 526125202 /nfs/dbraw/zinc/12/52/02/526125202.db2.gz YURXUJQHKKQHAO-UHFFFAOYSA-N 0 0 420.513 5.386 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000032950833 525825073 /nfs/dbraw/zinc/82/50/73/525825073.db2.gz SMWDFUGUCNMHCV-UHFFFAOYSA-N 0 0 404.901 5.487 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2Cl)cc1 ZINC000032950836 525825883 /nfs/dbraw/zinc/82/58/83/525825883.db2.gz IDCDQZHGDXEATG-UHFFFAOYSA-N 0 0 404.901 5.487 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000032950844 525825411 /nfs/dbraw/zinc/82/54/11/525825411.db2.gz CQRZOSPNQYKTLN-UHFFFAOYSA-N 0 0 418.928 5.795 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000032950850 525824630 /nfs/dbraw/zinc/82/46/30/525824630.db2.gz ZALVULYFEDMGIH-UHFFFAOYSA-N 0 0 418.928 5.795 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000032950866 525824975 /nfs/dbraw/zinc/82/49/75/525824975.db2.gz FCDNRSAVUWRLPH-UHFFFAOYSA-N 0 0 418.928 5.795 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000032950869 525825488 /nfs/dbraw/zinc/82/54/88/525825488.db2.gz BNROVAIUSYCEFR-UHFFFAOYSA-N 0 0 422.891 5.626 50 0 HKAARN CCOc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000032950883 521540810 /nfs/dbraw/zinc/54/08/10/521540810.db2.gz DCZXSBOZFULWSZ-UHFFFAOYSA-N 0 0 414.509 5.232 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000032950892 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521882390 /nfs/dbraw/zinc/88/23/90/521882390.db2.gz BAWIQJKEFJTCQV-UHFFFAOYSA-N 0 0 417.896 5.122 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959148 525768864 /nfs/dbraw/zinc/76/88/64/525768864.db2.gz FHMZZKGUJHIPMM-UHFFFAOYSA-N 0 0 421.859 5.007 50 0 HKAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)cc1 ZINC000032959160 519837243 /nfs/dbraw/zinc/83/72/43/519837243.db2.gz CJJKLLHQVWSFRV-UHFFFAOYSA-N 0 0 415.468 5.169 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c(Cl)c1 ZINC000032959165 525101982 /nfs/dbraw/zinc/10/19/82/525101982.db2.gz BLAYPMJBHJJGRK-UHFFFAOYSA-N 0 0 421.859 5.007 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959177 524747324 /nfs/dbraw/zinc/74/73/24/524747324.db2.gz PWWPKZYVXQPKRS-UHFFFAOYSA-N 0 0 421.859 5.007 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(OCC)cc3)cc2s1 ZINC000032959395 519880852 /nfs/dbraw/zinc/88/08/52/519880852.db2.gz DNAFDVKSQQOCBU-UHFFFAOYSA-N 0 0 411.527 5.005 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2s1 ZINC000032959398 519880968 /nfs/dbraw/zinc/88/09/68/519880968.db2.gz ZHPCOEAMOHWJBT-UHFFFAOYSA-N 0 0 415.946 5.568 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(SC)c3)cc2s1 ZINC000032959406 519881066 /nfs/dbraw/zinc/88/10/66/519881066.db2.gz ZWIBDCSONYLXOE-UHFFFAOYSA-N 0 0 413.568 5.328 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2s1 ZINC000032959411 519881072 /nfs/dbraw/zinc/88/10/72/519881072.db2.gz AYWJZMNJKUSPJX-UHFFFAOYSA-N 0 0 409.555 5.730 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Cl)cc3C)cc2s1 ZINC000032959700 519880477 /nfs/dbraw/zinc/88/04/77/519880477.db2.gz AQRGPXFTFOTAQM-UHFFFAOYSA-N 0 0 401.919 5.178 50 0 HKAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(F)cc3Cl)cc2s1 ZINC000032959739 519880367 /nfs/dbraw/zinc/88/03/67/519880367.db2.gz KTXWLAHIVCDBEX-UHFFFAOYSA-N 0 0 405.882 5.009 50 0 HKAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2c1C ZINC000032960317 526790393 /nfs/dbraw/zinc/79/03/93/526790393.db2.gz 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ZINC000032960469 525678747 /nfs/dbraw/zinc/67/87/47/525678747.db2.gz GDSWXFDGLYWWAK-UHFFFAOYSA-N 0 0 402.807 5.852 50 0 HKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3ccc(F)cc3Cl)c12 ZINC000032960470 525678402 /nfs/dbraw/zinc/67/84/02/525678402.db2.gz GZGPGKLEWHHYQQ-UHFFFAOYSA-N 0 0 402.807 5.852 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1Cl ZINC000032960472 524722206 /nfs/dbraw/zinc/72/22/06/524722206.db2.gz FFGCJJQODUKUBL-UHFFFAOYSA-N 0 0 414.843 5.721 50 0 HKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(NCc3ccc(F)cc3Cl)c12 ZINC000032960476 525678518 /nfs/dbraw/zinc/67/85/18/525678518.db2.gz YNYOJQAGIAVETI-UHFFFAOYSA-N 0 0 416.834 5.720 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1OC ZINC000032960480 524721414 /nfs/dbraw/zinc/72/14/14/524721414.db2.gz NFBSOZMJNSYNME-UHFFFAOYSA-N 0 0 410.424 5.076 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)c(OC)c1 ZINC000032960483 524722304 /nfs/dbraw/zinc/72/23/04/524722304.db2.gz IXEPJFFFBMBDTR-UHFFFAOYSA-N 0 0 410.424 5.076 50 0 HKAARN COc1cc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc(OC)c1 ZINC000032960484 522770206 /nfs/dbraw/zinc/77/02/06/522770206.db2.gz BZJQBMAGDCCEBR-UHFFFAOYSA-N 0 0 410.424 5.076 50 0 HKAARN CCOC(=O)c1cccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)c1 ZINC000032960485 521547797 /nfs/dbraw/zinc/54/77/97/521547797.db2.gz MQAFBLANMAODSM-UHFFFAOYSA-N 0 0 422.435 5.236 50 0 HKAARN CCOC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000032960487 521522686 /nfs/dbraw/zinc/52/26/86/521522686.db2.gz NEIBFDZBFNDQFZ-UHFFFAOYSA-N 0 0 422.435 5.236 50 0 HKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(C)c(C)n2-c1cc(F)cc(F)c1 ZINC000032960490 524248336 /nfs/dbraw/zinc/24/83/36/524248336.db2.gz KARBAYOSBDYFNU-UHFFFAOYSA-N 0 0 414.843 5.721 50 0 HKAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1Cl ZINC000032960495 524722332 /nfs/dbraw/zinc/72/23/32/524722332.db2.gz YUIDEZWFQCDSQO-UHFFFAOYSA-N 0 0 414.843 5.721 50 0 HKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000032960498 525678983 /nfs/dbraw/zinc/67/89/83/525678983.db2.gz BLGJDVALRMYNLE-UHFFFAOYSA-N 0 0 400.379 5.939 50 0 HKAARN Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000032960511 525679431 /nfs/dbraw/zinc/67/94/31/525679431.db2.gz VENVTQYJYRSEBJ-UHFFFAOYSA-N 0 0 416.834 6.453 50 0 HKAARN COc1cc(Nc2ncnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc(OC)c1 ZINC000032960513 522768110 /nfs/dbraw/zinc/76/81/10/522768110.db2.gz PJEWAJJGJQYFLV-UHFFFAOYSA-N 0 0 408.889 5.452 50 0 HKAARN Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(Nc3ccc4c(c3)OCCO4)c12 ZINC000032960531 525679299 /nfs/dbraw/zinc/67/92/99/525679299.db2.gz YZZRBUACHQPTBF-UHFFFAOYSA-N 0 0 406.873 5.206 50 0 HKAARN COC(=O)c1ccccc1Nc1nc(C)nc2c1c(C)c(C)n2-c1ccc(F)cc1 ZINC000032960545 522287539 /nfs/dbraw/zinc/28/75/39/522287539.db2.gz JWRLNJWVKUHAPS-UHFFFAOYSA-N 0 0 404.445 5.015 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccncc1 ZINC000032960556 527168766 /nfs/dbraw/zinc/16/87/66/527168766.db2.gz TUIUKQPCZWHEIH-UHFFFAOYSA-N 0 0 418.500 5.458 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccn1 ZINC000032960559 527168541 /nfs/dbraw/zinc/16/85/41/527168541.db2.gz UPOQPZYZOWYROF-UHFFFAOYSA-N 0 0 418.500 5.458 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cccs1 ZINC000032960562 527169355 /nfs/dbraw/zinc/16/93/55/527169355.db2.gz PRTDTEDWWZEPKP-UHFFFAOYSA-N 0 0 423.541 6.125 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)C1CCCCC1 ZINC000032960566 527167956 /nfs/dbraw/zinc/16/79/56/527167956.db2.gz UTNTWVUVEHPPDH-UHFFFAOYSA-N 0 0 423.560 6.330 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1 ZINC000032960591 527167685 /nfs/dbraw/zinc/16/76/85/527167685.db2.gz MWPPTBUYDFDAJV-UHFFFAOYSA-N 0 0 417.512 6.063 50 0 HKAARN CCN(CC)c1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000032960604 520888988 /nfs/dbraw/zinc/88/89/88/520888988.db2.gz OSSTVQZEBDIFSL-UHFFFAOYSA-N 0 0 412.537 5.447 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccccc1Br ZINC000032960607 527167744 /nfs/dbraw/zinc/16/77/44/527167744.db2.gz KNDJHJNUFOKIDS-UHFFFAOYSA-N 0 0 420.310 5.363 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000032960653 527167854 /nfs/dbraw/zinc/16/78/54/527167854.db2.gz QLPFHSWUFMUKGM-UHFFFAOYSA-N 0 0 420.310 5.363 50 0 HKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960671 526953081 /nfs/dbraw/zinc/95/30/81/526953081.db2.gz NQMBEROULPDZDE-UHFFFAOYSA-N 0 0 405.885 5.019 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1 ZINC000032960687 527167869 /nfs/dbraw/zinc/16/78/69/527167869.db2.gz MPVVEDSSKZJAEK-UHFFFAOYSA-N 0 0 420.310 5.363 50 0 HKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc2ccccc21 ZINC000032960744 523182429 /nfs/dbraw/zinc/18/24/29/523182429.db2.gz KRQAPZSALBHDQQ-UHFFFAOYSA-N 0 0 403.913 5.747 50 0 HKAARN CCn1c(CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nc2ccccc21 ZINC000032960754 523182912 /nfs/dbraw/zinc/18/29/12/523182912.db2.gz HLWRIGVQEIOZRA-UHFFFAOYSA-N 0 0 401.485 5.162 50 0 HKAARN CCn1c(CCc2ccc(NC(=O)c3ccccc3Cl)cc2)nc2ccccc21 ZINC000032960781 523183556 /nfs/dbraw/zinc/18/35/56/523183556.db2.gz JSYBGIQPOMCAMR-UHFFFAOYSA-N 0 0 403.913 5.747 50 0 HKAARN CCn1c(CCc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)nc2ccccc21 ZINC000032960789 523183327 /nfs/dbraw/zinc/18/33/27/523183327.db2.gz WHFGWFQTFIQZAD-UHFFFAOYSA-N 0 0 408.505 5.575 50 0 HKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc2ccccc21 ZINC000032960793 523181947 /nfs/dbraw/zinc/18/19/47/523181947.db2.gz OOOQBVKYMTVUNH-UHFFFAOYSA-N 0 0 401.485 5.541 50 0 HKAARN Cn1c(CCc2ccc(NC(=O)CSc3ccccc3)cc2)nc2ccccc21 ZINC000032960878 527050960 /nfs/dbraw/zinc/05/09/60/527050960.db2.gz KUTPLVJFAHSVCB-UHFFFAOYSA-N 0 0 401.535 5.089 50 0 HKAARN Cn1c(CCc2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)nc2ccccc21 ZINC000032960900 527050759 /nfs/dbraw/zinc/05/07/59/527050759.db2.gz QSNYJQOZZVHZLO-UHFFFAOYSA-N 0 0 407.876 5.403 50 0 HKAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000032960937 521554736 /nfs/dbraw/zinc/55/47/36/521554736.db2.gz UEIOEYXPUAMBMA-QGZVFWFLSA-N 0 0 417.553 5.092 50 0 HKAARN COc1ccc(CCC(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000032960938 523926704 /nfs/dbraw/zinc/92/67/04/523926704.db2.gz ZIKGHTRKXBZXID-UHFFFAOYSA-N 0 0 413.521 5.236 50 0 HKAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000032960939 558773194 /nfs/dbraw/zinc/77/31/94/558773194.db2.gz UEIOEYXPUAMBMA-KRWDZBQOSA-N 0 0 417.553 5.092 50 0 HKAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 ZINC000032960966 526099032 /nfs/dbraw/zinc/09/90/32/526099032.db2.gz FFGFWISJFYLBFP-UHFFFAOYSA-N 0 0 419.912 5.327 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc2ccccc21 ZINC000032961006 521628318 /nfs/dbraw/zinc/62/83/18/521628318.db2.gz FJAOQBQDDBZREC-UHFFFAOYSA-N 0 0 413.521 5.492 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc2ccccc21 ZINC000032961007 521628051 /nfs/dbraw/zinc/62/80/51/521628051.db2.gz PFNIEJYHFSQATC-UHFFFAOYSA-N 0 0 417.940 6.137 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc2ccccc21 ZINC000032961008 521628275 /nfs/dbraw/zinc/62/82/75/521628275.db2.gz WEXNYNIIKYYWPB-UHFFFAOYSA-N 0 0 417.940 6.137 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)CCC3CCCC3)cc2)nc2ccccc21 ZINC000032961009 521627721 /nfs/dbraw/zinc/62/77/21/521627721.db2.gz KZXXUYJFUDRMFF-UHFFFAOYSA-N 0 0 403.570 6.140 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3ccccc3F)cc2)nc2ccccc21 ZINC000032961010 521628037 /nfs/dbraw/zinc/62/80/37/521628037.db2.gz PNAVLHKVJPYOFP-UHFFFAOYSA-N 0 0 401.485 5.623 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3ccccc3Cl)cc2)nc2ccccc21 ZINC000032961016 521628562 /nfs/dbraw/zinc/62/85/62/521628562.db2.gz DLGSOLHEFWARRU-UHFFFAOYSA-N 0 0 417.940 6.137 50 0 HKAARN CCCn1c(CCc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc2ccccc21 ZINC000032961018 521628447 /nfs/dbraw/zinc/62/84/47/521628447.db2.gz LGUYICBFOUFZOD-UHFFFAOYSA-N 0 0 415.512 5.931 50 0 HKAARN O=C(Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)c1ccccc1 ZINC000032961060 527513847 /nfs/dbraw/zinc/51/38/47/527513847.db2.gz NQQFFZDLHYKLEP-UHFFFAOYSA-N 0 0 407.882 5.454 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000032961077 521871114 /nfs/dbraw/zinc/87/11/14/521871114.db2.gz PGGUKOVCQBJLEZ-LJQANCHMSA-N 0 0 415.518 5.681 50 0 HKAARN CC[C@H](C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000032961078 523803105 /nfs/dbraw/zinc/80/31/05/523803105.db2.gz PGGUKOVCQBJLEZ-IBGZPJMESA-N 0 0 415.518 5.681 50 0 HKAARN O=C(CCc1ccccc1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961089 526610136 /nfs/dbraw/zinc/61/01/36/526610136.db2.gz UOSFLFNSNNYMFB-UHFFFAOYSA-N 0 0 401.491 5.120 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961090 521463167 /nfs/dbraw/zinc/46/31/67/521463167.db2.gz IVIMCWILMOHHFK-UHFFFAOYSA-N 0 0 417.490 5.200 50 0 HKAARN O=C(Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)c1ccccc1 ZINC000032961099 527514014 /nfs/dbraw/zinc/51/40/14/527514014.db2.gz BMEXFDYQBJLCDD-UHFFFAOYSA-N 0 0 407.882 5.454 50 0 HKAARN O=C(CSc1ccccc1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961101 527043509 /nfs/dbraw/zinc/04/35/09/527043509.db2.gz 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ZINC000032961367 525246028 /nfs/dbraw/zinc/24/60/28/525246028.db2.gz KYKGZXAWCWPNHW-UHFFFAOYSA-N 0 0 421.909 5.763 50 0 HKAARN Cc1ccc(C(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000032961368 526219535 /nfs/dbraw/zinc/21/95/35/526219535.db2.gz OECAZICRWUFPSE-UHFFFAOYSA-N 0 0 401.491 5.418 50 0 HKAARN COc1ccc(C(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000032961371 523744527 /nfs/dbraw/zinc/74/45/27/523744527.db2.gz HCLVVFUMBZWYDD-UHFFFAOYSA-N 0 0 417.490 5.118 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000032961374 524356400 /nfs/dbraw/zinc/35/64/00/524356400.db2.gz VGRMURQPLRIXRY-UHFFFAOYSA-N 0 0 417.490 5.118 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000032961377 525246257 /nfs/dbraw/zinc/24/62/57/525246257.db2.gz QSOHVDJYSLHIIR-UHFFFAOYSA-N 0 0 405.454 5.248 50 0 HKAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000032961560 524351737 /nfs/dbraw/zinc/35/17/37/524351737.db2.gz WBHCAXOQRUVKGX-UHFFFAOYSA-N 0 0 407.945 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/nfs/dbraw/zinc/81/81/99/519818199.db2.gz DPPKNTCPANIABH-NRFANRHFSA-N 0 0 418.990 5.157 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Nc2ccccc2)c1C ZINC000032974490 521384591 /nfs/dbraw/zinc/38/45/91/521384591.db2.gz LQEWAEKYRIFQJZ-UHFFFAOYSA-N 0 0 419.525 5.351 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccccc2)c1C ZINC000032974500 521384036 /nfs/dbraw/zinc/38/40/36/521384036.db2.gz OQDVXBQCPPKODS-UHFFFAOYSA-N 0 0 405.498 5.043 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccc(C)cc2)c1C ZINC000032974505 521384047 /nfs/dbraw/zinc/38/40/47/521384047.db2.gz UOAJSFWNGFMIRZ-UHFFFAOYSA-N 0 0 419.525 5.351 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccccc2C)c1C ZINC000032974506 521384205 /nfs/dbraw/zinc/38/42/05/521384205.db2.gz YRMOUMYZPLWSLH-UHFFFAOYSA-N 0 0 419.525 5.351 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2cccc(C)c2)c1C ZINC000032974512 521384449 /nfs/dbraw/zinc/38/44/49/521384449.db2.gz UGDJEXLKLTYIDB-UHFFFAOYSA-N 0 0 419.525 5.351 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)Nc2ccc(F)cc2)c1C ZINC000032974516 521384698 /nfs/dbraw/zinc/38/46/98/521384698.db2.gz LOVMSEXTEKJFJG-UHFFFAOYSA-N 0 0 423.488 5.182 50 0 HKAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)Nc2ccccc2C)C2CCCCC2)c1C ZINC000032974520 521384461 /nfs/dbraw/zinc/38/44/61/521384461.db2.gz CBNCVJWCPNLYCX-UHFFFAOYSA-N 0 0 411.546 5.483 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NC2CCCCCC2)cc1 ZINC000032974889 525838533 /nfs/dbraw/zinc/83/85/33/525838533.db2.gz AIQLYBUPDVAQSY-UHFFFAOYSA-N 0 0 401.554 5.619 50 0 HKAARN Cc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000032974895 524499602 /nfs/dbraw/zinc/49/96/02/524499602.db2.gz JQFLAJXIRUSAFR-UHFFFAOYSA-N 0 0 409.533 5.405 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCCc2ccccc2)cc1 ZINC000032974896 525838799 /nfs/dbraw/zinc/83/87/99/525838799.db2.gz LBOAMBTTXCVQDQ-UHFFFAOYSA-N 0 0 423.560 5.529 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000032974902 525840954 /nfs/dbraw/zinc/84/09/54/525840954.db2.gz JFPXMEORSINWAM-OAQYLSRUSA-N 0 0 409.533 5.658 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000032974903 525841169 /nfs/dbraw/zinc/84/11/69/525841169.db2.gz JFPXMEORSINWAM-NRFANRHFSA-N 0 0 409.533 5.658 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2cccc(C)c2)cc1 ZINC000032974906 525838264 /nfs/dbraw/zinc/83/82/64/525838264.db2.gz GMOCNDJKAIAFFC-UHFFFAOYSA-N 0 0 409.533 5.405 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCc2ccccc2)cc1 ZINC000032974907 525838910 /nfs/dbraw/zinc/83/89/10/525838910.db2.gz OOWMHCQKCSJIPZ-UHFFFAOYSA-N 0 0 409.533 5.139 50 0 HKAARN Cc1ccc(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000032974910 524325528 /nfs/dbraw/zinc/32/55/28/524325528.db2.gz YTNJGYKVHOWKNY-UHFFFAOYSA-N 0 0 423.560 5.448 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(F)cc2)cc1 ZINC000032974917 525838209 /nfs/dbraw/zinc/83/82/09/525838209.db2.gz RFRDRXGNAGQSAC-UHFFFAOYSA-N 0 0 413.496 5.236 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000032974918 525839576 /nfs/dbraw/zinc/83/95/76/525839576.db2.gz APANYWUTJVLNGS-QFIPXVFZSA-N 0 0 423.560 5.700 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000032974919 525839681 /nfs/dbraw/zinc/83/96/81/525839681.db2.gz APANYWUTJVLNGS-JOCHJYFZSA-N 0 0 423.560 5.700 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2cccs2)cc1 ZINC000032974920 525839460 /nfs/dbraw/zinc/83/94/60/525839460.db2.gz HKMCOGOPDCJIHG-UHFFFAOYSA-N 0 0 401.535 5.158 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC2=CCCCC2)cc1 ZINC000032974922 525838980 /nfs/dbraw/zinc/83/89/80/525838980.db2.gz SGOTVDZKMKDVPL-UHFFFAOYSA-N 0 0 413.565 5.787 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCc2cccs2)cc1 ZINC000032974956 525839027 /nfs/dbraw/zinc/83/90/27/525839027.db2.gz SBADQAPVSHAFKT-UHFFFAOYSA-N 0 0 415.562 5.201 50 0 HKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2cccc(F)c2)cc1 ZINC000032974960 525838516 /nfs/dbraw/zinc/83/85/16/525838516.db2.gz VFUCTGKXNCRAPQ-UHFFFAOYSA-N 0 0 413.496 5.236 50 0 HKAARN CCc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000032974964 523931984 /nfs/dbraw/zinc/93/19/84/523931984.db2.gz JAEOBDXMXPRJHB-UHFFFAOYSA-N 0 0 423.560 5.659 50 0 HKAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1Cl ZINC000032975020 526636279 /nfs/dbraw/zinc/63/62/79/526636279.db2.gz VTMRWWHGOJMSAS-UHFFFAOYSA-N 0 0 415.924 5.442 50 0 HKAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000032975021 526636238 /nfs/dbraw/zinc/63/62/38/526636238.db2.gz XMJBVLDZZBLXRJ-UHFFFAOYSA-N 0 0 415.924 5.442 50 0 HKAARN Cc1ccc(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000032975041 524325543 /nfs/dbraw/zinc/32/55/43/524325543.db2.gz AEUKJVMDPBIVHE-UHFFFAOYSA-N 0 0 409.533 5.139 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032975048 524530774 /nfs/dbraw/zinc/53/07/74/524530774.db2.gz KGXSQLUIVHLVAV-QFIPXVFZSA-N 0 0 423.560 5.609 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032975049 524241876 /nfs/dbraw/zinc/24/18/76/524241876.db2.gz KGXSQLUIVHLVAV-JOCHJYFZSA-N 0 0 423.560 5.609 50 0 HKAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NC2CCCCC2)c1 ZINC000032975071 525728796 /nfs/dbraw/zinc/72/87/96/525728796.db2.gz QAJYZDODGCPFJR-UHFFFAOYSA-N 0 0 421.516 5.069 50 0 HKAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000032975168 527110761 /nfs/dbraw/zinc/11/07/61/527110761.db2.gz XTLUVXKNPXKRCE-UHFFFAOYSA-N 0 0 417.296 5.455 50 0 HKAARN CSc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000032975177 526118545 /nfs/dbraw/zinc/11/85/45/526118545.db2.gz DMZVQEKGLPJWAP-UHFFFAOYSA-N 0 0 408.527 5.178 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(Cl)c1 ZINC000032975184 525122123 /nfs/dbraw/zinc/12/21/23/525122123.db2.gz NOBMUVKSPCBCHR-UHFFFAOYSA-N 0 0 414.868 5.249 50 0 HKAARN CSc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000032975196 526119412 /nfs/dbraw/zinc/11/94/12/526119412.db2.gz HOXSCXDMNFGQAX-UHFFFAOYSA-N 0 0 412.490 5.009 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1F ZINC000032975217 525121866 /nfs/dbraw/zinc/12/18/66/525121866.db2.gz PRAAZJDVSHMNDP-UHFFFAOYSA-N 0 0 414.868 5.249 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)cc1NC(=O)c1ccco1 ZINC000032975230 525795878 /nfs/dbraw/zinc/79/58/78/525795878.db2.gz ZWCICYAVNKQXLY-UHFFFAOYSA-N 0 0 414.465 5.158 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1)c1ccco1 ZINC000032975243 527140368 /nfs/dbraw/zinc/14/03/68/527140368.db2.gz XDMHBZYNPPDPPT-UHFFFAOYSA-N 0 0 414.465 5.239 50 0 HKAARN O=C(Nc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1)c1ccco1 ZINC000032975250 527311631 /nfs/dbraw/zinc/31/16/31/527311631.db2.gz HWPZYHWOCJFCTQ-UHFFFAOYSA-N 0 0 414.465 5.239 50 0 HKAARN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3ccc(Cl)cc3F)c12 ZINC000032975763 558803251 /nfs/dbraw/zinc/80/32/51/558803251.db2.gz VFVITXAFCVNLLM-UHFFFAOYSA-N 0 0 402.807 5.852 50 0 HKAARN Cc1cc(Cl)ccc1N1C(=O)c2ccccc2CC[C@]1(C)C(=O)NCCC(C)C ZINC000032977906 558803496 /nfs/dbraw/zinc/80/34/96/558803496.db2.gz RZHJYKZPWWLPOH-XMMPIXPASA-N 0 0 412.961 5.162 50 0 HKAARN Cc1cc(Cl)ccc1N1C(=O)c2ccccc2CC[C@@]1(C)C(=O)NCCC(C)C ZINC000032977908 558803602 /nfs/dbraw/zinc/80/36/02/558803602.db2.gz RZHJYKZPWWLPOH-DEOSSOPVSA-N 0 0 412.961 5.162 50 0 HKAARN O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000032978588 558803729 /nfs/dbraw/zinc/80/37/29/558803729.db2.gz GMZZETMBJGCIEW-UHFFFAOYSA-N 0 0 421.444 5.270 50 0 HKAARN O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000032978592 558803784 /nfs/dbraw/zinc/80/37/84/558803784.db2.gz CTEYCTOSOOYRHY-UHFFFAOYSA-N 0 0 403.960 5.373 50 0 HKAARN CSc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000032978802 558803762 /nfs/dbraw/zinc/80/37/62/558803762.db2.gz DNQVAWOCTOOLRW-UHFFFAOYSA-N 0 0 406.532 6.094 50 0 HKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)cc1 ZINC000032981780 558803865 /nfs/dbraw/zinc/80/38/65/558803865.db2.gz JYFGWVLVINCHKW-UHFFFAOYSA-N 0 0 408.542 5.364 50 0 HKAARN COc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000032981905 558804035 /nfs/dbraw/zinc/80/40/35/558804035.db2.gz PYEJNGIETNLKNZ-UHFFFAOYSA-N 0 0 419.506 5.125 50 0 HKAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000032983173 558804147 /nfs/dbraw/zinc/80/41/47/558804147.db2.gz JUBLEGFCMNGGTQ-UHFFFAOYSA-N 0 0 400.459 5.396 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983475 558804626 /nfs/dbraw/zinc/80/46/26/558804626.db2.gz IYZKRPUCFUBORR-FYJGNVAPSA-N 0 0 410.901 5.165 50 0 HKAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983477 558804631 /nfs/dbraw/zinc/80/46/31/558804631.db2.gz SQJNAIBRCJVOMJ-HYARGMPZSA-N 0 0 424.928 5.555 50 0 HKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)c1ccccc1 ZINC000032983513 558804597 /nfs/dbraw/zinc/80/45/97/558804597.db2.gz NEEWEYDTZIFPSW-VUZLNAKASA-N 0 0 418.880 5.203 50 0 HKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)c1ccccc1 ZINC000032983515 558804605 /nfs/dbraw/zinc/80/46/05/558804605.db2.gz NEEWEYDTZIFPSW-PXNCGERRSA-N 0 0 418.880 5.203 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983561 558805281 /nfs/dbraw/zinc/80/52/81/558805281.db2.gz QEWMLSPABHQFNR-HMAPJEAMSA-N 0 0 422.912 5.332 50 0 HKAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000032983614 558805295 /nfs/dbraw/zinc/80/52/95/558805295.db2.gz GMPARUWTUBBGNN-QGZVFWFLSA-N 0 0 419.575 5.369 50 0 HKAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032983616 558805251 /nfs/dbraw/zinc/80/52/51/558805251.db2.gz GMPARUWTUBBGNN-KRWDZBQOSA-N 0 0 419.575 5.369 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983815 558804724 /nfs/dbraw/zinc/80/47/24/558804724.db2.gz HDNLNTXGRBDONC-STZFKDTASA-N 0 0 410.901 5.165 50 0 HKAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983817 568510161 /nfs/dbraw/zinc/51/01/61/568510161.db2.gz RTRCMLJTBQYYLJ-PXLXIMEGSA-N 0 0 424.928 5.555 50 0 HKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)c1ccccc1 ZINC000032983846 558804678 /nfs/dbraw/zinc/80/46/78/558804678.db2.gz DWTYIWSRJPSTDY-YZLQOSHFSA-N 0 0 418.880 5.203 50 0 HKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)c1ccccc1 ZINC000032983847 558804775 /nfs/dbraw/zinc/80/47/75/558804775.db2.gz DWTYIWSRJPSTDY-HSMAQGNYSA-N 0 0 418.880 5.203 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983874 558804956 /nfs/dbraw/zinc/80/49/56/558804956.db2.gz MBHHETUJZUPSOI-PXLXIMEGSA-N 0 0 422.912 5.332 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983930 558804951 /nfs/dbraw/zinc/80/49/51/558804951.db2.gz LRIWGWSUIAKXMZ-FYJGNVAPSA-N 0 0 410.901 5.165 50 0 HKAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983931 558804985 /nfs/dbraw/zinc/80/49/85/558804985.db2.gz TXBICWSOKATYRE-HMAPJEAMSA-N 0 0 424.928 5.555 50 0 HKAARN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)c1ccccc1 ZINC000032983954 558804986 /nfs/dbraw/zinc/80/49/86/558804986.db2.gz NSQHLJKZNHMIBM-VUZLNAKASA-N 0 0 418.880 5.203 50 0 HKAARN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)c1ccccc1 ZINC000032983955 558804878 /nfs/dbraw/zinc/80/48/78/558804878.db2.gz NSQHLJKZNHMIBM-PXNCGERRSA-N 0 0 418.880 5.203 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983980 558805020 /nfs/dbraw/zinc/80/50/20/558805020.db2.gz NVFDRUGXZZEEFG-HYARGMPZSA-N 0 0 422.912 5.332 50 0 HKAARN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)oc1C ZINC000032984644 558805417 /nfs/dbraw/zinc/80/54/17/558805417.db2.gz CIVUSINACMLSKL-UHFFFAOYSA-N 0 0 411.914 5.326 50 0 HKAARN CCCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2ccccc2c1=O ZINC000032984647 558805366 /nfs/dbraw/zinc/80/53/66/558805366.db2.gz RZVVNHAMUIJBDO-UHFFFAOYSA-N 0 0 405.523 5.371 50 0 HKAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)oc1C ZINC000032984651 558805394 /nfs/dbraw/zinc/80/53/94/558805394.db2.gz OGVUZZDEWDKXAR-UHFFFAOYSA-N 0 0 421.522 5.071 50 0 HKAARN CCCCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2ccccc2c1=O ZINC000032984652 558805386 /nfs/dbraw/zinc/80/53/86/558805386.db2.gz GZHVUWNNAYACEP-UHFFFAOYSA-N 0 0 419.550 5.761 50 0 HKAARN CCCCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2ccccc2c1=O ZINC000032984657 558805339 /nfs/dbraw/zinc/80/53/39/558805339.db2.gz RPBKSGVTSOLFAB-UHFFFAOYSA-N 0 0 419.550 5.761 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1C(C)C ZINC000032984658 558805363 /nfs/dbraw/zinc/80/53/63/558805363.db2.gz VIDOQSAJWNMUOX-UHFFFAOYSA-N 0 0 405.523 5.542 50 0 HKAARN COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C(C)C)c(C)o2)cc1 ZINC000032984663 558805392 /nfs/dbraw/zinc/80/53/92/558805392.db2.gz SRQREDQPLJDIKN-UHFFFAOYSA-N 0 0 421.522 5.242 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000032984664 558805407 /nfs/dbraw/zinc/80/54/07/558805407.db2.gz CTRUAYUJTSYLGO-UHFFFAOYSA-N 0 0 419.550 5.617 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000032984676 558805415 /nfs/dbraw/zinc/80/54/15/558805415.db2.gz LNJOVDJBTLVOQQ-UHFFFAOYSA-N 0 0 419.550 5.698 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 ZINC000032985607 558805790 /nfs/dbraw/zinc/80/57/90/558805790.db2.gz IDSNHGZPQCWPLS-UHFFFAOYSA-N 0 0 412.489 5.545 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000032985608 558805801 /nfs/dbraw/zinc/80/58/01/558805801.db2.gz ORBBKJIHOSJOJZ-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 ZINC000032985610 558805822 /nfs/dbraw/zinc/80/58/22/558805822.db2.gz QDXZSIRLVJLPNH-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(C)c(F)c3)c3ccccc3n2)cc1 ZINC000032985614 558805838 /nfs/dbraw/zinc/80/58/38/558805838.db2.gz SRQSDMFSEDDQRH-UHFFFAOYSA-N 0 0 416.452 5.375 50 0 HKAARN CCc1ccccc1NC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000032985616 558805848 /nfs/dbraw/zinc/80/58/48/558805848.db2.gz NZOFDFYVUQZWQB-UHFFFAOYSA-N 0 0 412.489 5.490 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 ZINC000032985620 558805793 /nfs/dbraw/zinc/80/57/93/558805793.db2.gz GGIKALGRRRUWJX-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 ZINC000032985621 558805946 /nfs/dbraw/zinc/80/59/46/558805946.db2.gz UNJRBMOIZYRYKE-UHFFFAOYSA-N 0 0 412.489 5.545 50 0 HKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)cc3F)c3ccccc3n2)cc1 ZINC000032985624 558805931 /nfs/dbraw/zinc/80/59/31/558805931.db2.gz JKYDKVJABRORJQ-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)c1 ZINC000032985627 558805910 /nfs/dbraw/zinc/80/59/10/558805910.db2.gz JNCMOJYGHNBXOV-UHFFFAOYSA-N 0 0 412.489 5.545 50 0 HKAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000032985628 558806010 /nfs/dbraw/zinc/80/60/10/558806010.db2.gz ZXDWXTLFRWGYRE-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN COc1cccc(-c2cc(OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)c1 ZINC000032985637 558805916 /nfs/dbraw/zinc/80/59/16/558805916.db2.gz JBDMDEKVDMAXIJ-UHFFFAOYSA-N 0 0 412.489 5.545 50 0 HKAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc(F)cc3F)c3ccccc3n2)c1 ZINC000032985640 558805938 /nfs/dbraw/zinc/80/59/38/558805938.db2.gz QEGGSEKAWRICGN-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)NCc1ccc(Cl)cc1 ZINC000032985647 558805919 /nfs/dbraw/zinc/80/59/19/558805919.db2.gz WDXNXWDFJBNPDW-UHFFFAOYSA-N 0 0 402.881 5.250 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)NCc1ccccc1Cl ZINC000032985649 558805951 /nfs/dbraw/zinc/80/59/51/558805951.db2.gz GVMIVWXLBPMZIC-UHFFFAOYSA-N 0 0 402.881 5.250 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985664 558806016 /nfs/dbraw/zinc/80/60/16/558806016.db2.gz QPSOUNBMPLCHEN-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985666 558805922 /nfs/dbraw/zinc/80/59/22/558805922.db2.gz WFRWEFGOSGNVPF-UHFFFAOYSA-N 0 0 402.881 5.881 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000032985667 558805973 /nfs/dbraw/zinc/80/59/73/558805973.db2.gz YZYXQUPFZCAYFL-UHFFFAOYSA-N 0 0 422.406 5.938 50 0 HKAARN CSc1cccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000032985668 558805958 /nfs/dbraw/zinc/80/59/58/558805958.db2.gz ZCZCQHVJYCWNCA-UHFFFAOYSA-N 0 0 400.503 5.641 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985670 558805964 /nfs/dbraw/zinc/80/59/64/558805964.db2.gz LXKLTNYVHQIRGV-UHFFFAOYSA-N 0 0 402.881 5.881 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000032985683 558805948 /nfs/dbraw/zinc/80/59/48/558805948.db2.gz QXELYQDNPXEGLM-UHFFFAOYSA-N 0 0 406.844 5.712 50 0 HKAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1Cl ZINC000032985693 558805967 /nfs/dbraw/zinc/80/59/67/558805967.db2.gz QATHYTVLQPXLFR-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000032985702 558805970 /nfs/dbraw/zinc/80/59/70/558805970.db2.gz BGFFXEFHUALDSD-UHFFFAOYSA-N 0 0 422.406 5.938 50 0 HKAARN Cc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c(Cl)c1 ZINC000032985705 558806013 /nfs/dbraw/zinc/80/60/13/558806013.db2.gz WJHPIOLZCNBJGD-UHFFFAOYSA-N 0 0 402.881 5.881 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)NCCC1=CCCCC1 ZINC000032985787 558806111 /nfs/dbraw/zinc/80/61/11/558806111.db2.gz URQRGIABYGBIRY-UHFFFAOYSA-N 0 0 404.485 5.426 50 0 HKAARN Cc1ccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000032985795 558806071 /nfs/dbraw/zinc/80/60/71/558806071.db2.gz ZEGFIFAVQXFXNE-UHFFFAOYSA-N 0 0 400.453 5.045 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc(F)c(F)c1 ZINC000032985799 558806084 /nfs/dbraw/zinc/80/60/84/558806084.db2.gz WZNBHGTZLLYWFI-UHFFFAOYSA-N 0 0 408.379 5.337 50 0 HKAARN Cc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1F ZINC000032985800 558806058 /nfs/dbraw/zinc/80/60/58/558806058.db2.gz LKBHQVSCGKCLFX-UHFFFAOYSA-N 0 0 404.416 5.506 50 0 HKAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000032985806 558806066 /nfs/dbraw/zinc/80/60/66/558806066.db2.gz NVKQSIJNONQCGB-UHFFFAOYSA-N 0 0 402.425 5.067 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc(F)cc1F ZINC000032985809 558806091 /nfs/dbraw/zinc/80/60/91/558806091.db2.gz USMNBPCRAMRPOQ-UHFFFAOYSA-N 0 0 408.379 5.337 50 0 HKAARN CCOc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000032985810 558806082 /nfs/dbraw/zinc/80/60/82/558806082.db2.gz PRTYBEBZTWHARL-UHFFFAOYSA-N 0 0 416.452 5.457 50 0 HKAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)Nc1cc(F)ccc1F ZINC000032985811 558806060 /nfs/dbraw/zinc/80/60/60/558806060.db2.gz JNTGJVYEESVQNR-UHFFFAOYSA-N 0 0 408.379 5.337 50 0 HKAARN CCOc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccc(F)cc21 ZINC000032985812 558806117 /nfs/dbraw/zinc/80/61/17/558806117.db2.gz FULFJVFPQPUFFQ-UHFFFAOYSA-N 0 0 416.452 5.457 50 0 HKAARN COc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccc(F)cc21 ZINC000032985815 558806133 /nfs/dbraw/zinc/80/61/33/558806133.db2.gz IODPHALMKYLRNC-UHFFFAOYSA-N 0 0 402.425 5.067 50 0 HKAARN CC(=O)c1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000032985816 558806065 /nfs/dbraw/zinc/80/60/65/558806065.db2.gz IBQDWWNRIYDPPD-UHFFFAOYSA-N 0 0 414.436 5.261 50 0 HKAARN COc1cccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)c1 ZINC000032985818 558806051 /nfs/dbraw/zinc/80/60/51/558806051.db2.gz SLZYXYJPWUMIIQ-UHFFFAOYSA-N 0 0 402.425 5.067 50 0 HKAARN CCOc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000032985829 558806087 /nfs/dbraw/zinc/80/60/87/558806087.db2.gz TXAUEOCQMRRXRT-UHFFFAOYSA-N 0 0 412.489 5.626 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc12 ZINC000032985834 558806074 /nfs/dbraw/zinc/80/60/74/558806074.db2.gz VGRUZNGWZVQGCD-UHFFFAOYSA-N 0 0 418.880 5.581 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3ccc(F)c(F)c3)cc(-c3ccccc3)nc12 ZINC000032985836 558806281 /nfs/dbraw/zinc/80/62/81/558806281.db2.gz FTVKTZQKXDBFQD-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3ccc(F)cc3)cc(-c3ccccc3)nc12 ZINC000032985839 558806273 /nfs/dbraw/zinc/80/62/73/558806273.db2.gz ZIBAMWYVQGJSFU-UHFFFAOYSA-N 0 0 402.425 5.067 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3c(C)cccc3C)cc(-c3ccccc3)nc12 ZINC000032985840 558806291 /nfs/dbraw/zinc/80/62/91/558806291.db2.gz FMNZOELCCHGKKW-UHFFFAOYSA-N 0 0 412.489 5.545 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3ccccc3F)cc(-c3ccccc3)nc12 ZINC000032985842 558806278 /nfs/dbraw/zinc/80/62/78/558806278.db2.gz XCVNTQYPHOHEFD-UHFFFAOYSA-N 0 0 402.425 5.067 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3ccc(F)cc3F)cc(-c3ccccc3)nc12 ZINC000032985843 558806289 /nfs/dbraw/zinc/80/62/89/558806289.db2.gz SUHZXSBGBNBJAM-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN COc1cccc2c(OCC(=O)Nc3cc(F)ccc3F)cc(-c3ccccc3)nc12 ZINC000032985845 558806298 /nfs/dbraw/zinc/80/62/98/558806298.db2.gz URHUKHXLZZGAAF-UHFFFAOYSA-N 0 0 420.415 5.206 50 0 HKAARN Cc1ccc(-c2cc(OCC(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000032985885 558806275 /nfs/dbraw/zinc/80/62/75/558806275.db2.gz IJOXCWQDXKPRFT-UHFFFAOYSA-N 0 0 400.453 5.045 50 0 HKAARN CC(=O)c1cccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000032985895 558806286 /nfs/dbraw/zinc/80/62/86/558806286.db2.gz SVEAZPBQAUBXSL-UHFFFAOYSA-N 0 0 410.473 5.430 50 0 HKAARN Cc1ccc(-c2cc(OCC(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 ZINC000032985896 558806235 /nfs/dbraw/zinc/80/62/35/558806235.db2.gz KQIBVVAKEXCJFM-UHFFFAOYSA-N 0 0 404.416 5.506 50 0 HKAARN CCOc1ccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000032985917 558806280 /nfs/dbraw/zinc/80/62/80/558806280.db2.gz LZWQSVJGKRRYSB-UHFFFAOYSA-N 0 0 412.489 5.626 50 0 HKAARN Cc1ccc(-c2cc(OCC(=O)Nc3cc(F)ccc3F)c3ccccc3n2)cc1 ZINC000032985919 558806248 /nfs/dbraw/zinc/80/62/48/558806248.db2.gz ZTDBPOJHVNIWSF-UHFFFAOYSA-N 0 0 404.416 5.506 50 0 HKAARN CCOc1ccccc1NC(=O)COc1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000032985922 558806224 /nfs/dbraw/zinc/80/62/24/558806224.db2.gz PJSLUOIEWMEUDW-UHFFFAOYSA-N 0 0 412.489 5.626 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000032986049 558806366 /nfs/dbraw/zinc/80/63/66/558806366.db2.gz BFLXOKPPKSXADL-UHFFFAOYSA-N 0 0 406.404 5.081 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21 ZINC000032986355 558806417 /nfs/dbraw/zinc/80/64/17/558806417.db2.gz YVLSZQRBDZRJRW-UHFFFAOYSA-N 0 0 402.881 6.206 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc21 ZINC000032986356 558806397 /nfs/dbraw/zinc/80/63/97/558806397.db2.gz RLZJNGOJXZIPNP-UHFFFAOYSA-N 0 0 420.871 6.345 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000032986377 558806346 /nfs/dbraw/zinc/80/63/46/558806346.db2.gz IHWVUWFVBCVMGN-UHFFFAOYSA-N 0 0 416.908 6.515 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc21 ZINC000032986378 558806394 /nfs/dbraw/zinc/80/63/94/558806394.db2.gz OHHIAGALNXBSNM-UHFFFAOYSA-N 0 0 416.908 6.515 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000032986379 558806495 /nfs/dbraw/zinc/80/64/95/558806495.db2.gz ICAMMAMCXUSPGC-UHFFFAOYSA-N 0 0 400.453 6.000 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cccc(Cl)c3)cc21 ZINC000032986381 558806526 /nfs/dbraw/zinc/80/65/26/558806526.db2.gz GEKYYLQKHXMQOY-UHFFFAOYSA-N 0 0 402.881 6.206 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc21 ZINC000032986392 568510178 /nfs/dbraw/zinc/51/01/78/568510178.db2.gz LVBWVHOOZKWJPE-UHFFFAOYSA-N 0 0 410.473 5.755 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)cc(OCC)c3c2)cc1 ZINC000032986395 558806534 /nfs/dbraw/zinc/80/65/34/558806534.db2.gz OLODIDAQIZFCMA-UHFFFAOYSA-N 0 0 412.489 5.952 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc21 ZINC000032986404 558806551 /nfs/dbraw/zinc/80/65/51/558806551.db2.gz ZVBRCLGXKSEYKG-UHFFFAOYSA-N 0 0 404.416 5.831 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000032986407 558806537 /nfs/dbraw/zinc/80/65/37/558806537.db2.gz HFFWGUFNDQGLQK-UHFFFAOYSA-N 0 0 412.445 5.282 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cccc(SC)c3)cc21 ZINC000032986417 558806528 /nfs/dbraw/zinc/80/65/28/558806528.db2.gz SRZYPWRGMOSBQI-UHFFFAOYSA-N 0 0 414.530 6.275 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)cc(OCC)c2c1 ZINC000032986420 558806543 /nfs/dbraw/zinc/80/65/43/558806543.db2.gz RWHPDGAHGTVBOC-UHFFFAOYSA-N 0 0 412.489 5.952 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(C)ccc3OC)cc21 ZINC000032986422 558806518 /nfs/dbraw/zinc/80/65/18/558806518.db2.gz SEKVCRZCEGPUJJ-UHFFFAOYSA-N 0 0 412.489 5.870 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000032986423 558806535 /nfs/dbraw/zinc/80/65/35/558806535.db2.gz OZYYGSHRBNPHON-UHFFFAOYSA-N 0 0 410.517 6.676 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccc(F)cc3C)cc21 ZINC000032986430 568510177 /nfs/dbraw/zinc/51/01/77/568510177.db2.gz SRFJUVTYQAYZPT-UHFFFAOYSA-N 0 0 400.453 6.000 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc(F)cc3)cc21 ZINC000032986432 558806549 /nfs/dbraw/zinc/80/65/49/558806549.db2.gz DKXUGYOHZGWXPC-UHFFFAOYSA-N 0 0 400.453 5.370 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccccc3Cl)cc21 ZINC000032986437 558806559 /nfs/dbraw/zinc/80/65/59/558806559.db2.gz CMSSWMQJTBHPJT-UHFFFAOYSA-N 0 0 416.908 5.884 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccccc3OC)cc21 ZINC000032986440 558806532 /nfs/dbraw/zinc/80/65/32/558806532.db2.gz POLJQMHAHSAVSG-UHFFFAOYSA-N 0 0 412.489 5.239 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 ZINC000032986442 558806515 /nfs/dbraw/zinc/80/65/15/558806515.db2.gz HCIRMENWNGUZLR-UHFFFAOYSA-N 0 0 416.908 5.884 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc(OC)cc3)cc21 ZINC000032986443 558806511 /nfs/dbraw/zinc/80/65/11/558806511.db2.gz KEXQWJRRYITRGG-UHFFFAOYSA-N 0 0 412.489 5.239 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3cccc(OC)c3)cc21 ZINC000032986445 558806498 /nfs/dbraw/zinc/80/64/98/558806498.db2.gz ZHVXRIQPNAJOCS-UHFFFAOYSA-N 0 0 412.489 5.239 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(F)c3)cc21 ZINC000032986469 558806517 /nfs/dbraw/zinc/80/65/17/558806517.db2.gz ROKLXTLDEWMWNB-UHFFFAOYSA-N 0 0 416.452 5.701 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(F)cc3)cc21 ZINC000032986471 558806529 /nfs/dbraw/zinc/80/65/29/558806529.db2.gz GMNMMQNBOLLGDZ-UHFFFAOYSA-N 0 0 416.452 5.701 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3cccc(C)c3)cc21 ZINC000032986498 558806552 /nfs/dbraw/zinc/80/65/52/558806552.db2.gz ZMSXUBMNWOPUMH-UHFFFAOYSA-N 0 0 412.489 5.870 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccc(C)cc3)cc21 ZINC000032986501 558806508 /nfs/dbraw/zinc/80/65/08/558806508.db2.gz VGRFNOOQQOWWBD-UHFFFAOYSA-N 0 0 412.489 5.870 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3O)cc21 ZINC000032986503 558806506 /nfs/dbraw/zinc/80/65/06/558806506.db2.gz CGSHEFCNKCOGTQ-UHFFFAOYSA-N 0 0 414.461 5.267 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3C)cc21 ZINC000032986506 558806541 /nfs/dbraw/zinc/80/65/41/558806541.db2.gz KOTCUYJUFPIWPW-UHFFFAOYSA-N 0 0 412.489 5.870 50 0 HKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000032986528 558806501 /nfs/dbraw/zinc/80/65/01/558806501.db2.gz GRLDWAMYIIRZBE-UHFFFAOYSA-N 0 0 414.962 5.365 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000032986546 558806655 /nfs/dbraw/zinc/80/66/55/558806655.db2.gz BUHPTDPCXRNCDD-UHFFFAOYSA-N 0 0 412.489 5.239 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(F)cc3)cc21 ZINC000032986589 568510181 /nfs/dbraw/zinc/51/01/81/568510181.db2.gz HNXJDLSJDKMYKL-UHFFFAOYSA-N 0 0 420.871 6.345 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccccc3)cc21 ZINC000032986590 558806594 /nfs/dbraw/zinc/80/65/94/558806594.db2.gz PAVDIPBYDLBAIJ-UHFFFAOYSA-N 0 0 402.881 6.206 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3cccc(C)c3)cc21 ZINC000032986600 558806589 /nfs/dbraw/zinc/80/65/89/558806589.db2.gz USELPRNZGUFOLX-UHFFFAOYSA-N 0 0 416.908 6.515 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccc(C)cc3)cc21 ZINC000032986601 558806612 /nfs/dbraw/zinc/80/66/12/558806612.db2.gz BFJIEZXHNPHPSA-UHFFFAOYSA-N 0 0 416.908 6.515 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccccc3O)cc21 ZINC000032986602 558806617 /nfs/dbraw/zinc/80/66/17/558806617.db2.gz LQZXWFXTOUQTJV-UHFFFAOYSA-N 0 0 418.880 5.912 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000032986621 558806652 /nfs/dbraw/zinc/80/66/52/558806652.db2.gz WIQJAYTYHBGRBB-UHFFFAOYSA-N 0 0 416.908 5.884 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCCCCC3)cc21 ZINC000032986636 558806662 /nfs/dbraw/zinc/80/66/62/558806662.db2.gz PGRZWNPHCPBNMM-UHFFFAOYSA-N 0 0 408.929 5.970 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCSCC3)cc21 ZINC000032986651 558806660 /nfs/dbraw/zinc/80/66/60/558806660.db2.gz NFKSLIZWJPQHSC-UHFFFAOYSA-N 0 0 412.942 5.143 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCC(C)CC3)cc21 ZINC000032986672 558806621 /nfs/dbraw/zinc/80/66/21/558806621.db2.gz PXXBHHFYUUXCAJ-UHFFFAOYSA-N 0 0 404.510 5.181 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000032986676 558806596 /nfs/dbraw/zinc/80/65/96/558806596.db2.gz ADKMKEHARASLHG-UHFFFAOYSA-N 0 0 408.929 6.016 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CCCCCC3)cc21 ZINC000032986680 558806635 /nfs/dbraw/zinc/80/66/35/558806635.db2.gz JJCNWPCPRLTZIQ-UHFFFAOYSA-N 0 0 422.956 6.407 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CCC(C)CC3)cc21 ZINC000032986686 558806615 /nfs/dbraw/zinc/80/66/15/558806615.db2.gz VMHSXUCQSCQDAR-UHFFFAOYSA-N 0 0 422.956 6.262 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000032986687 558806645 /nfs/dbraw/zinc/80/66/45/558806645.db2.gz PABPTILHPUNIIL-UHFFFAOYSA-N 0 0 404.510 5.372 50 0 HKAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC3CCCCCC3)cc21 ZINC000032986690 558806678 /nfs/dbraw/zinc/80/66/78/558806678.db2.gz XOBVMGRDDIKTLR-UHFFFAOYSA-N 0 0 418.537 5.762 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000032986695 558806592 /nfs/dbraw/zinc/80/65/92/558806592.db2.gz MVHDIOHVSWKRPB-UHFFFAOYSA-N 0 0 418.512 6.060 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)NCCCc3ccco3)cc21 ZINC000032986705 558806649 /nfs/dbraw/zinc/80/66/49/558806649.db2.gz CFINPNVSGRRDFT-UHFFFAOYSA-N 0 0 418.468 5.395 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc21 ZINC000032986707 558806599 /nfs/dbraw/zinc/80/65/99/558806599.db2.gz KZEQWXFRPDUBJB-UHFFFAOYSA-N 0 0 402.425 5.398 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3cccc(OC)c3)cc21 ZINC000032986710 558806648 /nfs/dbraw/zinc/80/66/48/558806648.db2.gz UMFXFOCNHPKVRC-UHFFFAOYSA-N 0 0 416.452 5.701 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000032986717 558806761 /nfs/dbraw/zinc/80/67/61/558806761.db2.gz JZFGJVFOYATYPO-UHFFFAOYSA-N 0 0 414.549 6.229 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3ccco3)cc21 ZINC000032986763 558806767 /nfs/dbraw/zinc/80/67/67/558806767.db2.gz GGZXAXHIIPSXBH-UHFFFAOYSA-N 0 0 406.869 5.477 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCc3cccs3)cc21 ZINC000032986764 558806747 /nfs/dbraw/zinc/80/67/47/558806747.db2.gz YNXBRBVRYLUFSW-UHFFFAOYSA-N 0 0 422.937 5.945 50 0 HKAARN COc1ccc(CNC(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)cc1 ZINC000032986785 558806797 /nfs/dbraw/zinc/80/67/97/558806797.db2.gz LOQMRSXNQSHMMY-UHFFFAOYSA-N 0 0 412.489 5.157 50 0 HKAARN COc1cccc(CNC(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1 ZINC000032986786 558806756 /nfs/dbraw/zinc/80/67/56/558806756.db2.gz USOFLFYCQHKXQP-UHFFFAOYSA-N 0 0 412.489 5.157 50 0 biogenic HKAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccccc1Cl ZINC000032986827 558806781 /nfs/dbraw/zinc/80/67/81/558806781.db2.gz XOVSMLMHWKXLDK-FQEVSTJZSA-N 0 0 419.333 5.309 50 0 HKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccccc1Cl ZINC000032986828 558806802 /nfs/dbraw/zinc/80/68/02/558806802.db2.gz XOVSMLMHWKXLDK-HXUWFJFHSA-N 0 0 419.333 5.309 50 0 HKAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1cccc(Cl)c1 ZINC000032986829 558806773 /nfs/dbraw/zinc/80/67/73/558806773.db2.gz HEJABWLKRLXXCH-FQEVSTJZSA-N 0 0 419.333 5.309 50 0 HKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1cccc(Cl)c1 ZINC000032986830 558806763 /nfs/dbraw/zinc/80/67/63/558806763.db2.gz HEJABWLKRLXXCH-HXUWFJFHSA-N 0 0 419.333 5.309 50 0 HKAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000032986851 568510152 /nfs/dbraw/zinc/51/01/52/568510152.db2.gz OVGHUIUIVCGBAA-HXUWFJFHSA-N 0 0 418.440 5.021 50 0 HKAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000032986852 568510191 /nfs/dbraw/zinc/51/01/91/568510191.db2.gz OVGHUIUIVCGBAA-FQEVSTJZSA-N 0 0 418.440 5.021 50 0 HKAARN Cc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000032986963 558806957 /nfs/dbraw/zinc/80/69/57/558806957.db2.gz DXHZRZXTKDBMKW-JOCHJYFZSA-N 0 0 412.942 5.006 50 0 HKAARN Cc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000032986964 568510558 /nfs/dbraw/zinc/51/05/58/568510558.db2.gz DXHZRZXTKDBMKW-QFIPXVFZSA-N 0 0 412.942 5.006 50 0 HKAARN Cc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986965 558806955 /nfs/dbraw/zinc/80/69/55/558806955.db2.gz SHOATEWTVWQKFM-JOCHJYFZSA-N 0 0 412.942 5.006 50 0 HKAARN Cc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000032986966 558806928 /nfs/dbraw/zinc/80/69/28/558806928.db2.gz SHOATEWTVWQKFM-QFIPXVFZSA-N 0 0 412.942 5.006 50 0 HKAARN O=C(NCCc1cccs1)c1ccccc1CSc1nc2ccccc2s1 ZINC000032988782 558808358 /nfs/dbraw/zinc/80/83/58/558808358.db2.gz GJBFPHDBIWXAAA-UHFFFAOYSA-N 0 0 410.589 5.623 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000032992676 558808644 /nfs/dbraw/zinc/80/86/44/558808644.db2.gz RSCPKONPOGGAFT-HXUWFJFHSA-N 0 0 410.304 5.584 50 0 HKAARN O=C(NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000032994591 558808847 /nfs/dbraw/zinc/80/88/47/558808847.db2.gz ZFZHPSLUDNOEEF-UPVQGACJSA-N 0 0 410.517 5.262 50 0 HKAARN O=C(NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000032994593 558808810 /nfs/dbraw/zinc/80/88/10/558808810.db2.gz ZFZHPSLUDNOEEF-VWNXMTODSA-N 0 0 410.517 5.262 50 0 HKAARN O=C(NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000032994595 558808772 /nfs/dbraw/zinc/80/87/72/558808772.db2.gz ZFZHPSLUDNOEEF-LADGPHEKSA-N 0 0 410.517 5.262 50 0 HKAARN O=C(NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000032994597 558808790 /nfs/dbraw/zinc/80/87/90/558808790.db2.gz ZFZHPSLUDNOEEF-ISKFKSNPSA-N 0 0 410.517 5.262 50 0 HKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)nn2)c1 ZINC000032995615 558809777 /nfs/dbraw/zinc/80/97/77/558809777.db2.gz JKOMOGDUEDEXSK-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCCC4=CCCCC4)cc3)nn2)c1 ZINC000032995616 558809849 /nfs/dbraw/zinc/80/98/49/558809849.db2.gz YPYMBIZQRADDAE-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1 ZINC000032995618 568510682 /nfs/dbraw/zinc/51/06/82/568510682.db2.gz QYGYFUNEGHOKAT-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)nn2)c1 ZINC000032995621 558809770 /nfs/dbraw/zinc/80/97/70/558809770.db2.gz DXGPUNNMBBZQQA-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)c1 ZINC000032995630 558809798 /nfs/dbraw/zinc/80/97/98/558809798.db2.gz UVPXHRZFPRQAMN-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1 ZINC000032995631 558809942 /nfs/dbraw/zinc/80/99/42/558809942.db2.gz QHZXGPKJQKSLBO-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)c1 ZINC000032995634 558809977 /nfs/dbraw/zinc/80/99/77/558809977.db2.gz HBUKCRTVURTCGQ-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(C)c4)nn3)cc2)cc1 ZINC000032995635 558810003 /nfs/dbraw/zinc/81/00/03/558810003.db2.gz FSDBNKZYYZYZEV-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)N(C)Cc4ccccc4)cc3)nn2)c1 ZINC000032995636 558810001 /nfs/dbraw/zinc/81/00/01/558810001.db2.gz SLFYTHJYPAISSL-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000032995639 558809963 /nfs/dbraw/zinc/80/99/63/558809963.db2.gz YOSSEHULABAWKD-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000032995640 558809989 /nfs/dbraw/zinc/80/99/89/558809989.db2.gz VWSXANCZTQWTIQ-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995642 558809951 /nfs/dbraw/zinc/80/99/51/558809951.db2.gz PCLJATJBXMMNGX-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1C ZINC000032995648 558809984 /nfs/dbraw/zinc/80/99/84/558809984.db2.gz BJCFXFXXHDQCRN-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1 ZINC000032995654 558809954 /nfs/dbraw/zinc/80/99/54/558809954.db2.gz HYORRBTVUSPBIB-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)nn2)cc1 ZINC000032995661 558809992 /nfs/dbraw/zinc/80/99/92/558809992.db2.gz KGQIKNYYGXPUGC-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccc(C)cc4)nn3)cc2)cc1 ZINC000032995664 558809999 /nfs/dbraw/zinc/80/99/99/558809999.db2.gz WHOBNTAMFNSUED-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)nn2)cc1 ZINC000032995666 558809971 /nfs/dbraw/zinc/80/99/71/558809971.db2.gz QXMBPASYGZPYCD-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)nn2)cc1 ZINC000032995670 568510644 /nfs/dbraw/zinc/51/06/44/568510644.db2.gz LOMCMPHUCBCACQ-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)nn2)cc1 ZINC000032995671 558809987 /nfs/dbraw/zinc/80/99/87/558809987.db2.gz MQQGEVUAZJEZFB-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccccc4C)cc3)nn2)cc1 ZINC000032995674 558809981 /nfs/dbraw/zinc/80/99/81/558809981.db2.gz ZORAERCVXJYHFP-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(C)cc4)nn3)cc2)cc1 ZINC000032995676 558809958 /nfs/dbraw/zinc/80/99/58/558809958.db2.gz CLRYULHGPBDVDL-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995679 558809965 /nfs/dbraw/zinc/80/99/65/558809965.db2.gz LZASEPWTODXQNN-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1 ZINC000032995681 558809995 /nfs/dbraw/zinc/80/99/95/558809995.db2.gz RXZHZSGHAIRXSJ-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1C ZINC000032995686 558809985 /nfs/dbraw/zinc/80/99/85/558809985.db2.gz UWXVIAWUQODPBP-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN CN(C(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1)C1CCCCC1 ZINC000032995688 558809990 /nfs/dbraw/zinc/80/99/90/558809990.db2.gz RHHHVESMRRNOOJ-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995689 558810005 /nfs/dbraw/zinc/81/00/05/558810005.db2.gz QWGVYKLWWXKPMW-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c(C)c1 ZINC000032995690 558809968 /nfs/dbraw/zinc/80/99/68/558809968.db2.gz PDXVCCFRHZJDJW-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995694 558810007 /nfs/dbraw/zinc/81/00/07/558810007.db2.gz HIXNYAMGMHKSGJ-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000032995696 558810009 /nfs/dbraw/zinc/81/00/09/558810009.db2.gz IJQZREOTJVDNTE-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cc1 ZINC000032995700 558809976 /nfs/dbraw/zinc/80/99/76/558809976.db2.gz DZJJKCACLNATKM-UHFFFAOYSA-N 0 0 422.532 6.482 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000032995705 558809997 /nfs/dbraw/zinc/80/99/97/558809997.db2.gz DHELLDYMPCZODM-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN Cc1cc(Sc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n2ncnc2n1 ZINC000032995715 558809974 /nfs/dbraw/zinc/80/99/74/558809974.db2.gz CQVFXCSLNIYQQH-UHFFFAOYSA-N 0 0 417.538 5.134 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000032995768 558810054 /nfs/dbraw/zinc/81/00/54/558810054.db2.gz VOXALMSDGOOOJU-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000032995781 558810077 /nfs/dbraw/zinc/81/00/77/558810077.db2.gz DJVVQHITRNMCIB-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(C)c1 ZINC000032995856 558810350 /nfs/dbraw/zinc/81/03/50/558810350.db2.gz IRWQENYUOZYJCA-UHFFFAOYSA-N 0 0 417.538 5.097 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1OC(F)F ZINC000032996015 558810666 /nfs/dbraw/zinc/81/06/66/558810666.db2.gz UVURLLVWZAUTLV-IBGZPJMESA-N 0 0 406.432 5.331 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1OC(F)F ZINC000032996017 558810696 /nfs/dbraw/zinc/81/06/96/558810696.db2.gz UVURLLVWZAUTLV-LJQANCHMSA-N 0 0 406.432 5.331 50 0 HKAARN O=C(Oc1ccc(-c2nnco2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032996069 558810212 /nfs/dbraw/zinc/81/02/12/558810212.db2.gz SNEOKGRPXMCXLY-UHFFFAOYSA-N 0 0 410.351 5.642 50 0 HKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000032996172 558810280 /nfs/dbraw/zinc/81/02/80/558810280.db2.gz PPVBMEBLPGERRD-UHFFFAOYSA-N 0 0 412.917 5.028 50 0 HKAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)no1 ZINC000032996319 558810277 /nfs/dbraw/zinc/81/02/77/558810277.db2.gz JQSDGUVXJSMGBD-UHFFFAOYSA-N 0 0 410.783 5.615 50 0 HKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000032996365 558810704 /nfs/dbraw/zinc/81/07/04/558810704.db2.gz ISDMOPFTGFHCCC-UHFFFAOYSA-N 0 0 402.376 5.667 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000032996369 558810818 /nfs/dbraw/zinc/81/08/18/558810818.db2.gz ZXBGZTKVRWCJSL-UHFFFAOYSA-N 0 0 418.375 5.547 50 0 HKAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3ccccc3C(F)(F)F)n2)c1 ZINC000032996500 558810634 /nfs/dbraw/zinc/81/06/34/558810634.db2.gz DNDJZENIQGKXAM-UHFFFAOYSA-N 0 0 404.392 5.200 50 0 HKAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000032996502 558810663 /nfs/dbraw/zinc/81/06/63/558810663.db2.gz ALWLQIRUPQMFCI-UHFFFAOYSA-N 0 0 404.392 5.200 50 0 HKAARN COc1cccc(Cc2nc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)no2)c1 ZINC000032996504 558810669 /nfs/dbraw/zinc/81/06/69/558810669.db2.gz BWKCDPUUAVBKHK-UHFFFAOYSA-N 0 0 418.428 5.119 50 0 HKAARN COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)no1 ZINC000032996506 558810682 /nfs/dbraw/zinc/81/06/82/558810682.db2.gz UCPWOOCMOGWZAN-UHFFFAOYSA-N 0 0 404.401 5.195 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000032996559 558810821 /nfs/dbraw/zinc/81/08/21/558810821.db2.gz DKGOWPJGDFCRLJ-UHFFFAOYSA-N 0 0 421.806 5.929 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000032996568 558810792 /nfs/dbraw/zinc/81/07/92/558810792.db2.gz PBLLOTGBXJTJMX-UHFFFAOYSA-N 0 0 416.250 5.158 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000032996580 558810931 /nfs/dbraw/zinc/81/09/31/558810931.db2.gz IGIWZGWFXXURMS-UHFFFAOYSA-N 0 0 403.360 5.155 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCCCCC4)c3)nn2)c1 ZINC000032996922 558758120 /nfs/dbraw/zinc/75/81/20/558758120.db2.gz ULKZEXVOOKPFNO-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)nn2)c1 ZINC000032996923 558758025 /nfs/dbraw/zinc/75/80/25/558758025.db2.gz ODVSJXRMTSZHNU-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)cc1 ZINC000032996924 558758042 /nfs/dbraw/zinc/75/80/42/558758042.db2.gz PJVVZAOEJHBECI-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1 ZINC000032996926 558758078 /nfs/dbraw/zinc/75/80/78/558758078.db2.gz INVCGEUEVIRMEQ-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)nn2)c1 ZINC000032996932 558758009 /nfs/dbraw/zinc/75/80/09/558758009.db2.gz CDCKDHNFLBQKQP-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)nn2)c1 ZINC000032996935 558758088 /nfs/dbraw/zinc/75/80/88/558758088.db2.gz ITJGHWCTIONQEG-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)nn2)c1 ZINC000032996936 558758082 /nfs/dbraw/zinc/75/80/82/558758082.db2.gz KUAKGKFKFRFOQD-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1 ZINC000032996937 558758127 /nfs/dbraw/zinc/75/81/27/558758127.db2.gz DIVJBRSZRMLEKW-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)nn2)c1 ZINC000032996945 558758091 /nfs/dbraw/zinc/75/80/91/558758091.db2.gz LIGCFSZZSWSNNS-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)nn2)c1 ZINC000032996946 558758123 /nfs/dbraw/zinc/75/81/23/558758123.db2.gz XWCOCWNVJLLCMV-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NCCc4ccccc4)c3)nn2)c1 ZINC000032996948 558758073 /nfs/dbraw/zinc/75/80/73/558758073.db2.gz DKURPRWNGRFGOQ-UHFFFAOYSA-N 0 0 408.505 5.168 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)c1 ZINC000032996949 558758039 /nfs/dbraw/zinc/75/80/39/558758039.db2.gz VNGMBFSNPGEEKY-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)c1 ZINC000032996950 558758035 /nfs/dbraw/zinc/75/80/35/558758035.db2.gz YXCMPPSLVFOQIK-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)cc1 ZINC000032996951 558758152 /nfs/dbraw/zinc/75/81/52/558758152.db2.gz IZNLUBOJTHYYPN-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996955 558758103 /nfs/dbraw/zinc/75/81/03/558758103.db2.gz FSFLTSVRQXXLRE-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996957 558758022 /nfs/dbraw/zinc/75/80/22/558758022.db2.gz XHBKFONKCXWNDF-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996960 558758005 /nfs/dbraw/zinc/75/80/05/558758005.db2.gz XRNXZBAHZQOZLR-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996966 558758066 /nfs/dbraw/zinc/75/80/66/558758066.db2.gz ULNZIEQLXJCEAQ-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)c(C)c1 ZINC000032996967 558758117 /nfs/dbraw/zinc/75/81/17/558758117.db2.gz PWDSILNNDBOBSK-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996973 558758259 /nfs/dbraw/zinc/75/82/59/558758259.db2.gz QGNDEZOFIAEXGT-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)c1 ZINC000032996974 558758301 /nfs/dbraw/zinc/75/83/01/558758301.db2.gz AYWMWMDEPBPMSK-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000032996976 558758314 /nfs/dbraw/zinc/75/83/14/558758314.db2.gz NPWFHMBFCNCMCR-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NC4CCCCCC4)c3)nn2)cc1 ZINC000032996982 558758334 /nfs/dbraw/zinc/75/83/34/558758334.db2.gz KWBQBMFSXSPIKJ-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)nn2)cc1 ZINC000032996983 558758285 /nfs/dbraw/zinc/75/82/85/558758285.db2.gz UWTXMAFYKNZTFW-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1 ZINC000032996985 558758317 /nfs/dbraw/zinc/75/83/17/558758317.db2.gz ASHZTCBZTOBNQK-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1 ZINC000032996991 558758261 /nfs/dbraw/zinc/75/82/61/558758261.db2.gz MZCWUFPUGAINBD-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCc4ccccc4)c3)nn2)cc1 ZINC000032996996 558758326 /nfs/dbraw/zinc/75/83/26/558758326.db2.gz STFHNJSCYDSUNY-UHFFFAOYSA-N 0 0 408.505 5.168 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)nn2)cc1 ZINC000032996998 558758249 /nfs/dbraw/zinc/75/82/49/558758249.db2.gz YMMSBJOQEZKOKX-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCc4cccc(C)c4)c3)nn2)cc1 ZINC000032997002 558758274 /nfs/dbraw/zinc/75/82/74/558758274.db2.gz STELDRAYLRNJEE-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCCc4ccccc4)c3)nn2)cc1 ZINC000032997003 558758311 /nfs/dbraw/zinc/75/83/11/558758311.db2.gz BEXNQSJTNDEDLM-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1 ZINC000032997004 558758255 /nfs/dbraw/zinc/75/82/55/558758255.db2.gz KPNMFZZRHOMHCQ-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997006 558758331 /nfs/dbraw/zinc/75/83/31/558758331.db2.gz VPJJGDLYUSCUQX-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1 ZINC000032997008 558758269 /nfs/dbraw/zinc/75/82/69/558758269.db2.gz MEKIWQIHWAWRNR-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997012 558758323 /nfs/dbraw/zinc/75/83/23/558758323.db2.gz VBTIGYZBCFAXIW-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1C ZINC000032997014 558758282 /nfs/dbraw/zinc/75/82/82/558758282.db2.gz KSDZFDZOKNAUHG-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997019 558758337 /nfs/dbraw/zinc/75/83/37/558758337.db2.gz AOEAXDSKRLGISG-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997025 558758291 /nfs/dbraw/zinc/75/82/91/558758291.db2.gz GLMJRVJDAZWNOS-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1 ZINC000032997028 558758279 /nfs/dbraw/zinc/75/82/79/558758279.db2.gz YYIQIJUSZIVINJ-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997037 558758275 /nfs/dbraw/zinc/75/82/75/558758275.db2.gz PCVSOSKYMGXGGP-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997040 558758320 /nfs/dbraw/zinc/75/83/20/558758320.db2.gz OJUBKUJAHMSVFH-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997042 558758339 /nfs/dbraw/zinc/75/83/39/558758339.db2.gz MGIRHHVSSUYBCZ-UHFFFAOYSA-N 0 0 408.505 5.250 50 0 HKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000032997044 558758329 /nfs/dbraw/zinc/75/83/29/558758329.db2.gz KMOKIFUDYSUHEH-UHFFFAOYSA-N 0 0 422.532 5.941 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000032997052 558758239 /nfs/dbraw/zinc/75/82/39/558758239.db2.gz GICUZVDVMCSZJA-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997054 558758295 /nfs/dbraw/zinc/75/82/95/558758295.db2.gz IOTZJVUHWNUUDV-RUZDIDTESA-N 0 0 420.516 5.695 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997055 558758307 /nfs/dbraw/zinc/75/83/07/558758307.db2.gz IOTZJVUHWNUUDV-VWLOTQADSA-N 0 0 420.516 5.695 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000032997056 558758298 /nfs/dbraw/zinc/75/82/98/558758298.db2.gz DZOFYTINUSIIST-LJQANCHMSA-N 0 0 408.505 5.687 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000032997057 558758465 /nfs/dbraw/zinc/75/84/65/558758465.db2.gz DZOFYTINUSIIST-IBGZPJMESA-N 0 0 408.505 5.687 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997058 558758412 /nfs/dbraw/zinc/75/84/12/558758412.db2.gz SXZTXDRGNWOKIO-FQEVSTJZSA-N 0 0 422.532 5.638 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000032997059 558758409 /nfs/dbraw/zinc/75/84/09/558758409.db2.gz SXZTXDRGNWOKIO-HXUWFJFHSA-N 0 0 422.532 5.638 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997107 558758459 /nfs/dbraw/zinc/75/84/59/558758459.db2.gz HIGKPIRQEAIQAY-QFIPXVFZSA-N 0 0 420.538 5.265 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997108 558758383 /nfs/dbraw/zinc/75/83/83/558758383.db2.gz HIGKPIRQEAIQAY-JOCHJYFZSA-N 0 0 420.538 5.265 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997145 558758445 /nfs/dbraw/zinc/75/84/45/558758445.db2.gz CAPMSAYXXVRTAL-NRFANRHFSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997146 558758476 /nfs/dbraw/zinc/75/84/76/558758476.db2.gz CAPMSAYXXVRTAL-OAQYLSRUSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000032997165 558758419 /nfs/dbraw/zinc/75/84/19/558758419.db2.gz XTWQGCGCEYUEHD-NRFANRHFSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000032997166 558758397 /nfs/dbraw/zinc/75/83/97/558758397.db2.gz XTWQGCGCEYUEHD-OAQYLSRUSA-N 0 0 424.501 5.014 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997167 558758471 /nfs/dbraw/zinc/75/84/71/558758471.db2.gz NQDHDOSNUHMWSX-QFIPXVFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997168 558758477 /nfs/dbraw/zinc/75/84/77/558758477.db2.gz NQDHDOSNUHMWSX-JOCHJYFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997179 558758462 /nfs/dbraw/zinc/75/84/62/558758462.db2.gz ZSBSIXIGOPJRDU-QFIPXVFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997180 558758426 /nfs/dbraw/zinc/75/84/26/558758426.db2.gz ZSBSIXIGOPJRDU-JOCHJYFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997205 558758452 /nfs/dbraw/zinc/75/84/52/558758452.db2.gz QFRFFIAIYMSCIQ-QFIPXVFZSA-N 0 0 420.538 5.047 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997206 558758436 /nfs/dbraw/zinc/75/84/36/558758436.db2.gz QFRFFIAIYMSCIQ-JOCHJYFZSA-N 0 0 420.538 5.047 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997207 558758473 /nfs/dbraw/zinc/75/84/73/558758473.db2.gz YGKXHTFEOXDOPN-QFIPXVFZSA-N 0 0 420.538 5.102 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997208 558758388 /nfs/dbraw/zinc/75/83/88/558758388.db2.gz YGKXHTFEOXDOPN-JOCHJYFZSA-N 0 0 420.538 5.102 50 0 HKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1ccc(F)cc1 ZINC000032997239 558758652 /nfs/dbraw/zinc/75/86/52/558758652.db2.gz SIAFEMKKJABRCT-OAQYLSRUSA-N 0 0 424.501 5.014 50 0 HKAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1ccc(F)cc1 ZINC000032997240 558758659 /nfs/dbraw/zinc/75/86/59/558758659.db2.gz SIAFEMKKJABRCT-NRFANRHFSA-N 0 0 424.501 5.014 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997297 558758679 /nfs/dbraw/zinc/75/86/79/558758679.db2.gz GXDDPLYMAPJPHE-QFIPXVFZSA-N 0 0 420.538 5.218 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997298 558758692 /nfs/dbraw/zinc/75/86/92/558758692.db2.gz GXDDPLYMAPJPHE-JOCHJYFZSA-N 0 0 420.538 5.218 50 0 HKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(C)c1 ZINC000032997433 558758834 /nfs/dbraw/zinc/75/88/34/558758834.db2.gz QNEVLQCARCCGAJ-QFIPXVFZSA-N 0 0 420.538 5.039 50 0 HKAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(C)c1 ZINC000032997434 558758825 /nfs/dbraw/zinc/75/88/25/558758825.db2.gz QNEVLQCARCCGAJ-JOCHJYFZSA-N 0 0 420.538 5.039 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997465 558758801 /nfs/dbraw/zinc/75/88/01/558758801.db2.gz SZCPWUWDNFEYIA-QFIPXVFZSA-N 0 0 420.538 5.183 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997466 558758849 /nfs/dbraw/zinc/75/88/49/558758849.db2.gz SZCPWUWDNFEYIA-JOCHJYFZSA-N 0 0 420.538 5.183 50 0 HKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1 ZINC000032997569 558758857 /nfs/dbraw/zinc/75/88/57/558758857.db2.gz WNDSXIAHHLNMBK-QFIPXVFZSA-N 0 0 420.538 5.039 50 0 HKAARN CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1 ZINC000032997570 558758812 /nfs/dbraw/zinc/75/88/12/558758812.db2.gz WNDSXIAHHLNMBK-JOCHJYFZSA-N 0 0 420.538 5.039 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997647 558758806 /nfs/dbraw/zinc/75/88/06/558758806.db2.gz ADRGORUMMLNSIR-NRFANRHFSA-N 0 0 424.526 5.085 50 0 HKAARN CCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997648 558758808 /nfs/dbraw/zinc/75/88/08/558758808.db2.gz ADRGORUMMLNSIR-OAQYLSRUSA-N 0 0 424.526 5.085 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997693 558759037 /nfs/dbraw/zinc/75/90/37/558759037.db2.gz QDRSAZZZYMCXTM-QFIPXVFZSA-N 0 0 420.538 5.020 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997694 558758975 /nfs/dbraw/zinc/75/89/75/558758975.db2.gz QDRSAZZZYMCXTM-JOCHJYFZSA-N 0 0 420.538 5.020 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997699 558759067 /nfs/dbraw/zinc/75/90/67/558759067.db2.gz BXRUITWRJBZGLZ-QFIPXVFZSA-N 0 0 420.538 5.020 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997700 558758971 /nfs/dbraw/zinc/75/89/71/558758971.db2.gz BXRUITWRJBZGLZ-JOCHJYFZSA-N 0 0 420.538 5.020 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(OC)cc2)c1)c1ccccc1 ZINC000032998320 558759229 /nfs/dbraw/zinc/75/92/29/558759229.db2.gz YAMULSLWLADIRQ-OAQYLSRUSA-N 0 0 418.493 5.088 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(OC)cc2)c1)c1ccccc1 ZINC000032998321 558759222 /nfs/dbraw/zinc/75/92/22/558759222.db2.gz YAMULSLWLADIRQ-NRFANRHFSA-N 0 0 418.493 5.088 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1)c1ccccc1 ZINC000032998363 558759336 /nfs/dbraw/zinc/75/93/36/558759336.db2.gz ZLNUYNNQKZYVKW-HXUWFJFHSA-N 0 0 402.494 5.388 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1)c1ccccc1 ZINC000032998364 558759358 /nfs/dbraw/zinc/75/93/58/558759358.db2.gz ZLNUYNNQKZYVKW-FQEVSTJZSA-N 0 0 402.494 5.388 50 0 HKAARN COc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1C ZINC000032998381 558759335 /nfs/dbraw/zinc/75/93/35/558759335.db2.gz TVWZQCBAVAUXMC-UHFFFAOYSA-N 0 0 412.848 5.301 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(C)c2)c1)c1ccccc1 ZINC000032998394 558759340 /nfs/dbraw/zinc/75/93/40/558759340.db2.gz LSPYTHJQQRWNJD-OAQYLSRUSA-N 0 0 402.494 5.388 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(C)c2)c1)c1ccccc1 ZINC000032998395 558759330 /nfs/dbraw/zinc/75/93/30/558759330.db2.gz LSPYTHJQQRWNJD-NRFANRHFSA-N 0 0 402.494 5.388 50 0 HKAARN CCN(CC)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000032998405 558759332 /nfs/dbraw/zinc/75/93/32/558759332.db2.gz VWHORQSQEVBTLO-UHFFFAOYSA-N 0 0 417.509 5.046 50 0 HKAARN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1NC(=O)c1ccccc1 ZINC000032998453 558759648 /nfs/dbraw/zinc/75/96/48/558759648.db2.gz RIYSJVPBFLTHOP-UHFFFAOYSA-N 0 0 414.383 5.219 50 0 HKAARN CCCCNC(=O)c1cc(-c2cnn(-c3ccc(CC)cc3)c2C)nc2ccccc21 ZINC000032998530 558759666 /nfs/dbraw/zinc/75/96/66/558759666.db2.gz ASGUBJYNVNERCX-UHFFFAOYSA-N 0 0 412.537 5.488 50 0 HKAARN Cc1c(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000032998575 558759662 /nfs/dbraw/zinc/75/96/62/558759662.db2.gz QOMGQHDGVQQTLA-UHFFFAOYSA-N 0 0 416.500 5.311 50 0 HKAARN CCCNC(=O)c1cc(-c2cnn(-c3ccc(C(C)C)cc3)c2C)nc2ccccc21 ZINC000032998653 558759634 /nfs/dbraw/zinc/75/96/34/558759634.db2.gz ANUJYLILNHBCQA-UHFFFAOYSA-N 0 0 412.537 5.659 50 0 HKAARN Cc1c(-c2cc(C(=O)NC3CCCC3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998738 558759590 /nfs/dbraw/zinc/75/95/90/558759590.db2.gz FLJWOIWFCXBOQJ-UHFFFAOYSA-N 0 0 424.548 5.685 50 0 HKAARN Cc1c(-c2cc(C(=O)N3CCCC3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000032998753 558759605 /nfs/dbraw/zinc/75/96/05/558759605.db2.gz BELJVCDHYFINAU-UHFFFAOYSA-N 0 0 410.521 5.249 50 0 HKAARN CCCCNC(=O)c1cc(-c2cnn(-c3ccc(C)cc3)c2C)nc2ccc(C)cc21 ZINC000032998787 558759568 /nfs/dbraw/zinc/75/95/68/558759568.db2.gz XDHLBWXVRFEHBG-UHFFFAOYSA-N 0 0 412.537 5.543 50 0 HKAARN CCCCC(=O)Nc1c(C)nc(Nc2ccc(C)cc2)nc1Nc1ccc(C)cc1 ZINC000032999181 558820084 /nfs/dbraw/zinc/82/00/84/558820084.db2.gz HTTBIPCKNVZBBH-UHFFFAOYSA-N 0 0 403.530 6.018 50 0 HKAARN CC(=O)c1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(F)c1 ZINC000032999434 558825988 /nfs/dbraw/zinc/82/59/88/558825988.db2.gz ZSXUHPURFVVXCV-UHFFFAOYSA-N 0 0 419.481 5.302 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1 ZINC000032999889 558826371 /nfs/dbraw/zinc/82/63/71/558826371.db2.gz RQOQNYWQHIUKQX-UHFFFAOYSA-N 0 0 412.411 5.827 50 0 HKAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccccc1 ZINC000033000380 558826768 /nfs/dbraw/zinc/82/67/68/558826768.db2.gz JVEXTFWBLSSHOP-UHFFFAOYSA-N 0 0 419.531 5.279 50 0 HKAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000033000392 558826764 /nfs/dbraw/zinc/82/67/64/558826764.db2.gz JRNNUSUNJVTICE-UHFFFAOYSA-N 0 0 413.568 5.402 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 ZINC000033000435 558826781 /nfs/dbraw/zinc/82/67/81/558826781.db2.gz DBEDSHNUXLAGET-UHFFFAOYSA-N 0 0 413.568 5.320 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 ZINC000033000531 558826765 /nfs/dbraw/zinc/82/67/65/558826765.db2.gz ORDRSNSKMHXUKJ-UHFFFAOYSA-N 0 0 417.531 5.295 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 ZINC000033000533 558826776 /nfs/dbraw/zinc/82/67/76/558826776.db2.gz YNJXYMBVHQUACH-UHFFFAOYSA-N 0 0 417.531 5.151 50 0 HKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000033000572 558826655 /nfs/dbraw/zinc/82/66/55/558826655.db2.gz WMLRMNVEBWYUPE-UHFFFAOYSA-N 0 0 417.531 5.295 50 0 HKAARN CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000033000575 558826699 /nfs/dbraw/zinc/82/66/99/558826699.db2.gz UVVWSLHWPJQLLJ-UHFFFAOYSA-N 0 0 417.531 5.151 50 0 HKAARN CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 ZINC000033000623 558826685 /nfs/dbraw/zinc/82/66/85/558826685.db2.gz NDCQAQTVFKHTPX-UHFFFAOYSA-N 0 0 419.959 5.275 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000033000666 558826668 /nfs/dbraw/zinc/82/66/68/558826668.db2.gz YDAZBHMPHRLERS-UHFFFAOYSA-N 0 0 419.959 5.419 50 0 HKAARN CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000033000669 558826671 /nfs/dbraw/zinc/82/66/71/558826671.db2.gz DYGWDWSNARYMQJ-UHFFFAOYSA-N 0 0 419.959 5.275 50 0 HKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 ZINC000033000787 558826623 /nfs/dbraw/zinc/82/66/23/558826623.db2.gz PZULPYKDYSACOQ-UHFFFAOYSA-N 0 0 413.568 5.383 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 ZINC000033000788 558826633 /nfs/dbraw/zinc/82/66/33/558826633.db2.gz AAIVTGPLQPPTGR-UHFFFAOYSA-N 0 0 413.568 5.238 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000033004037 568510632 /nfs/dbraw/zinc/51/06/32/568510632.db2.gz NTBJHEYVJSGWFW-UHFFFAOYSA-N 0 0 406.913 6.303 50 0 HKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004044 558827046 /nfs/dbraw/zinc/82/70/46/558827046.db2.gz SZFFXTVZAVCLSC-HXUWFJFHSA-N 0 0 406.869 5.944 50 0 HKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004046 558827037 /nfs/dbraw/zinc/82/70/37/558827037.db2.gz SZFFXTVZAVCLSC-FQEVSTJZSA-N 0 0 406.869 5.944 50 0 HKAARN COc1ccc(-c2nc3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc3o2)cc1 ZINC000033004054 558827061 /nfs/dbraw/zinc/82/70/61/558827061.db2.gz NYIPPYUMTMMVEY-UHFFFAOYSA-N 0 0 402.494 5.658 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000033004199 558827169 /nfs/dbraw/zinc/82/71/69/558827169.db2.gz YKFZQBXQPOOIHV-QFIPXVFZSA-N 0 0 409.533 5.530 50 0 HKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000033004201 558827187 /nfs/dbraw/zinc/82/71/87/558827187.db2.gz YKFZQBXQPOOIHV-JOCHJYFZSA-N 0 0 409.533 5.530 50 0 HKAARN CCN(Cc1ccc(OC)cc1)c1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033004360 568510643 /nfs/dbraw/zinc/51/06/43/568510643.db2.gz REVXSVWQIZYDPJ-UHFFFAOYSA-N 0 0 400.482 5.142 50 0 HKAARN COc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 ZINC000033004403 558827048 /nfs/dbraw/zinc/82/70/48/558827048.db2.gz ZZWWPIXLFNIHPS-AWEZNQCLSA-N 0 0 406.873 5.634 50 0 HKAARN COc1ccc(-c2noc(-c3cccnc3N[C@H](C)c3ccc(Cl)cc3)n2)cc1 ZINC000033004406 558827055 /nfs/dbraw/zinc/82/70/55/558827055.db2.gz ZZWWPIXLFNIHPS-CQSZACIVSA-N 0 0 406.873 5.634 50 0 HKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3Cl)cs2)c1C ZINC000033004505 558827232 /nfs/dbraw/zinc/82/72/32/558827232.db2.gz QSCMADDJTRLFEU-UHFFFAOYSA-N 0 0 402.951 5.123 50 0 HKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c1C ZINC000033004506 558827192 /nfs/dbraw/zinc/82/71/92/558827192.db2.gz QPLNLATYCVJAKG-UHFFFAOYSA-N 0 0 402.951 5.123 50 0 HKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)c1C ZINC000033004513 558827190 /nfs/dbraw/zinc/82/71/90/558827190.db2.gz CQKBPQXKHHIAGT-UHFFFAOYSA-N 0 0 416.978 5.431 50 0 HKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)c1C ZINC000033004541 558827234 /nfs/dbraw/zinc/82/72/34/558827234.db2.gz VKHHZRHAVYNMBY-UHFFFAOYSA-N 0 0 416.978 5.431 50 0 HKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c1C ZINC000033004545 558827220 /nfs/dbraw/zinc/82/72/20/558827220.db2.gz KYDLHNVBDPUWLB-UHFFFAOYSA-N 0 0 416.978 5.431 50 0 HKAARN CCc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)cc1 ZINC000033004589 558827342 /nfs/dbraw/zinc/82/73/42/558827342.db2.gz JTTZULHKRVNSAD-UHFFFAOYSA-N 0 0 410.587 5.278 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3Cl)cs2)c(C)c1CCC(C)C ZINC000033004599 558827267 /nfs/dbraw/zinc/82/72/67/558827267.db2.gz NSCMUNRXKIISGE-UHFFFAOYSA-N 0 0 416.978 5.369 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c(C)c1CCC(C)C ZINC000033004601 558827295 /nfs/dbraw/zinc/82/72/95/558827295.db2.gz PHTVMQILBZDWLM-UHFFFAOYSA-N 0 0 416.978 5.369 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3c(C)cccc3C)cs2)c(C)c1CCC(C)C ZINC000033004612 558827177 /nfs/dbraw/zinc/82/71/77/558827177.db2.gz MZTZDLHZNLLFON-UHFFFAOYSA-N 0 0 410.587 5.332 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c(C)c1CCC(C)C ZINC000033004614 558827203 /nfs/dbraw/zinc/82/72/03/558827203.db2.gz RDBLREVBDZDORJ-UHFFFAOYSA-N 0 0 410.587 5.332 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c(C)c1CCC(C)C ZINC000033004621 558827205 /nfs/dbraw/zinc/82/72/05/558827205.db2.gz FBFOPLSIWOYXMU-UHFFFAOYSA-N 0 0 416.978 5.369 50 0 HKAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)c(C)c1CCC(C)C ZINC000033004626 558827215 /nfs/dbraw/zinc/82/72/15/558827215.db2.gz SCKARGWUQNGJGJ-UHFFFAOYSA-N 0 0 410.587 5.332 50 0 HKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000033008043 558828856 /nfs/dbraw/zinc/82/88/56/558828856.db2.gz YULMJRHFCJTZDG-UHFFFAOYSA-N 0 0 419.304 5.051 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008195 558828830 /nfs/dbraw/zinc/82/88/30/558828830.db2.gz RWWHRIHFAJFHIK-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000033008198 558828821 /nfs/dbraw/zinc/82/88/21/558828821.db2.gz DGBXROHLTOPDAK-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)Nc1cccc(Cl)c1 ZINC000033008200 558828829 /nfs/dbraw/zinc/82/88/29/558828829.db2.gz QOGALAKHVYRWPQ-UHFFFAOYSA-N 0 0 422.897 5.846 50 0 HKAARN O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)Nc1ccccc1Cl ZINC000033008202 558828825 /nfs/dbraw/zinc/82/88/25/558828825.db2.gz URPSPXNLZYUSQL-UHFFFAOYSA-N 0 0 422.897 5.846 50 0 HKAARN CCc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033008206 558828831 /nfs/dbraw/zinc/82/88/31/558828831.db2.gz WBJDPOZZDZKPMU-UHFFFAOYSA-N 0 0 416.506 5.755 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1C ZINC000033008208 568510300 /nfs/dbraw/zinc/51/03/00/568510300.db2.gz PHAVCZHUBOZZLO-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1C ZINC000033008211 558828855 /nfs/dbraw/zinc/82/88/55/558828855.db2.gz GLEYEISLCNKJTR-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000033008213 558828819 /nfs/dbraw/zinc/82/88/19/558828819.db2.gz LUJOYQDUONLWTJ-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033008225 558828814 /nfs/dbraw/zinc/82/88/14/558828814.db2.gz YBJYBCPITYGFLK-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN Cc1ccccc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008227 558828826 /nfs/dbraw/zinc/82/88/26/558828826.db2.gz PRLVTZMWGMVROA-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000033008236 558828828 /nfs/dbraw/zinc/82/88/28/558828828.db2.gz BVVDJMYKWGMIDC-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN CCc1ccccc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008238 558828853 /nfs/dbraw/zinc/82/88/53/558828853.db2.gz ABGVQCNNDXYLBZ-UHFFFAOYSA-N 0 0 416.506 5.755 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 ZINC000033008241 558829011 /nfs/dbraw/zinc/82/90/11/558829011.db2.gz IOKSVICFSCEMBT-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN O=C(Nc1ccc(F)cc1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008249 558829006 /nfs/dbraw/zinc/82/90/06/558829006.db2.gz KYZRIBISNJEZAW-UHFFFAOYSA-N 0 0 406.442 5.332 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1F ZINC000033008251 558828981 /nfs/dbraw/zinc/82/89/81/558828981.db2.gz WXJVBPFJWLNTDM-UHFFFAOYSA-N 0 0 420.469 5.640 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2C)s1 ZINC000033008271 558829027 /nfs/dbraw/zinc/82/90/27/558829027.db2.gz LOETWKYHKAXZEN-UHFFFAOYSA-N 0 0 402.907 5.559 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)cc3Cl)cc2C)s1 ZINC000033008276 558828985 /nfs/dbraw/zinc/82/89/85/558828985.db2.gz IFUPFFQPUZKXPU-UHFFFAOYSA-N 0 0 402.907 5.559 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(Cl)ccc3OC)cc2C)s1 ZINC000033008278 558828962 /nfs/dbraw/zinc/82/89/62/558828962.db2.gz BGINIKBGLJIKGV-UHFFFAOYSA-N 0 0 418.906 5.259 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Cl)c3C)cc2C)s1 ZINC000033008297 558828971 /nfs/dbraw/zinc/82/89/71/558828971.db2.gz BKKLFEBMBSNDTM-UHFFFAOYSA-N 0 0 402.907 5.559 50 0 HKAARN Cc1cc(NC(=O)Nc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008334 558828978 /nfs/dbraw/zinc/82/89/78/558828978.db2.gz CGIIFPPBKCTQHD-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN Cc1ccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033008345 558828987 /nfs/dbraw/zinc/82/89/87/558828987.db2.gz IELHNYIQDMSJIN-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1cc(NC(=O)Nc2ccccc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008347 558829033 /nfs/dbraw/zinc/82/90/33/558829033.db2.gz OKVYIRAZCHHJDN-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1cccc(NC(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033008358 568510271 /nfs/dbraw/zinc/51/02/71/568510271.db2.gz PBDIYDBFWKINEC-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1cc(NC(=O)NCc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008367 558829035 /nfs/dbraw/zinc/82/90/35/558829035.db2.gz QIXINCSZAKLTQO-UHFFFAOYSA-N 0 0 416.506 5.179 50 0 HKAARN Cc1cc(NC(=O)Nc2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008371 568510284 /nfs/dbraw/zinc/51/02/84/568510284.db2.gz VLRZUNORGXEDPZ-UHFFFAOYSA-N 0 0 420.469 5.640 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2OC)s1 ZINC000033008419 558828040 /nfs/dbraw/zinc/82/80/40/558828040.db2.gz BLEJFPIMARVEFX-UHFFFAOYSA-N 0 0 418.906 5.259 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(Cl)ccc3C)cc2OC)s1 ZINC000033008432 568510266 /nfs/dbraw/zinc/51/02/66/568510266.db2.gz OZNAFMQYECGEHE-UHFFFAOYSA-N 0 0 418.906 5.259 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Cl)c3C)cc2OC)s1 ZINC000033008444 558828107 /nfs/dbraw/zinc/82/81/07/558828107.db2.gz LXTQDNIAGSSHQV-UHFFFAOYSA-N 0 0 418.906 5.259 50 0 HKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(SC)c3)cc2OC)s1 ZINC000033008481 558828104 /nfs/dbraw/zinc/82/81/04/558828104.db2.gz INOZGKXJMFSXKQ-UHFFFAOYSA-N 0 0 416.528 5.019 50 0 HKAARN COc1cc(NC(=O)Nc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008600 558828214 /nfs/dbraw/zinc/82/82/14/558828214.db2.gz GUZHCDICFMDSJJ-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN COc1cc(NC(=O)NC2CCCCC2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008673 558828186 /nfs/dbraw/zinc/82/81/86/558828186.db2.gz GVEYRFLGTQCCGN-UHFFFAOYSA-N 0 0 424.526 5.011 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3)c2)c1 ZINC000033009169 558828288 /nfs/dbraw/zinc/82/82/88/558828288.db2.gz VWTHJLPCAZQMDT-UHFFFAOYSA-N 0 0 414.509 5.492 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCCC(C)C)c2)c1 ZINC000033009297 558829393 /nfs/dbraw/zinc/82/93/93/558829393.db2.gz QLYLIKGRBZEQEE-UHFFFAOYSA-N 0 0 408.546 5.015 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NC3CCCCC3)c2)c1 ZINC000033009299 558829341 /nfs/dbraw/zinc/82/93/41/558829341.db2.gz NVHSBPDMZXSLHS-UHFFFAOYSA-N 0 0 420.557 5.302 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3)c2)cc1 ZINC000033009311 558829381 /nfs/dbraw/zinc/82/93/81/558829381.db2.gz MAOBXTKAHXFSPA-UHFFFAOYSA-N 0 0 414.509 5.492 50 0 HKAARN O=C(Nc1ccccc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009392 558829388 /nfs/dbraw/zinc/82/93/88/558829388.db2.gz RZRKTGPOCIWCPY-UHFFFAOYSA-N 0 0 400.482 5.183 50 0 HKAARN Cc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)cc1 ZINC000033009420 568510288 /nfs/dbraw/zinc/51/02/88/568510288.db2.gz YWDBPJTYBAYAQI-UHFFFAOYSA-N 0 0 414.509 5.492 50 0 HKAARN Cc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009422 558829370 /nfs/dbraw/zinc/82/93/70/558829370.db2.gz AMXDJWHPVLACRU-UHFFFAOYSA-N 0 0 414.509 5.492 50 0 HKAARN Cc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1 ZINC000033009447 558829363 /nfs/dbraw/zinc/82/93/63/558829363.db2.gz GGXDBNFKQZCLKV-UHFFFAOYSA-N 0 0 414.509 5.492 50 0 HKAARN O=C(Nc1ccc(F)cc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009459 558829379 /nfs/dbraw/zinc/82/93/79/558829379.db2.gz NQPPHILXYISDBW-UHFFFAOYSA-N 0 0 418.472 5.322 50 0 HKAARN O=C(Nc1ccccc1F)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009474 558829405 /nfs/dbraw/zinc/82/94/05/558829405.db2.gz LKVPHJAXJYHXOX-UHFFFAOYSA-N 0 0 418.472 5.322 50 0 HKAARN O=C(Nc1cccc(F)c1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009499 558829399 /nfs/dbraw/zinc/82/93/99/558829399.db2.gz RWMNGVADBOJZBP-UHFFFAOYSA-N 0 0 418.472 5.322 50 0 HKAARN O=C(Nc1ccccc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCCC1 ZINC000033009582 558829384 /nfs/dbraw/zinc/82/93/84/558829384.db2.gz DDBWSRWTSAYTAW-UHFFFAOYSA-N 0 0 414.509 5.573 50 0 HKAARN O=C(Nc1ccccc1)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009757 558829349 /nfs/dbraw/zinc/82/93/49/558829349.db2.gz WIBXYIPDRWFYSC-UHFFFAOYSA-N 0 0 418.472 5.322 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NC4CCCCCC4)c3)ncn2)c1 ZINC000033010451 558829760 /nfs/dbraw/zinc/82/97/60/558829760.db2.gz QQWLIBBVQFEUDB-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)ncn2)c1 ZINC000033010452 568510272 /nfs/dbraw/zinc/51/02/72/568510272.db2.gz JDXJKWUZCICFFJ-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1 ZINC000033010454 558829767 /nfs/dbraw/zinc/82/97/67/558829767.db2.gz ZLNHJNPFAJQEGV-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)ncn2)c1 ZINC000033010455 558829735 /nfs/dbraw/zinc/82/97/35/558829735.db2.gz NDQVGKXMFOQLAA-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)ncn2)c1 ZINC000033010460 558829743 /nfs/dbraw/zinc/82/97/43/558829743.db2.gz HPEKNOZMRVFYQB-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010461 558829750 /nfs/dbraw/zinc/82/97/50/558829750.db2.gz HGFTZATXWNBAND-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)ncn2)c1 ZINC000033010463 558829749 /nfs/dbraw/zinc/82/97/49/558829749.db2.gz VCZNLMIVSUJYMM-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)c1 ZINC000033010464 558829768 /nfs/dbraw/zinc/82/97/68/558829768.db2.gz ZSOUJPXOEKFIDO-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)ncn2)c1 ZINC000033010471 568510312 /nfs/dbraw/zinc/51/03/12/568510312.db2.gz YJIKGYWATLQERG-UHFFFAOYSA-N 0 0 416.431 5.726 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N(C)C4CCCCC4)c3)ncn2)c1 ZINC000033010476 558829776 /nfs/dbraw/zinc/82/97/76/558829776.db2.gz OVVMRMDORKHGRZ-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)ncn2)c1 ZINC000033010479 558829792 /nfs/dbraw/zinc/82/97/92/558829792.db2.gz CBNPXKRXWOZACX-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)ncn2)c1 ZINC000033010482 558829790 /nfs/dbraw/zinc/82/97/90/558829790.db2.gz GKPKVZKJSNDOAF-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010486 558829772 /nfs/dbraw/zinc/82/97/72/558829772.db2.gz HCBWPOPYCXABCT-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010487 558829786 /nfs/dbraw/zinc/82/97/86/558829786.db2.gz HCBWPOPYCXABCT-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)ncn2)c1 ZINC000033010490 558829752 /nfs/dbraw/zinc/82/97/52/558829752.db2.gz NONIWYVZOQVQBP-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccccc4C)c3)ncn2)c1 ZINC000033010492 558829779 /nfs/dbraw/zinc/82/97/79/558829779.db2.gz JFTVSZSFOBHUKJ-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c1 ZINC000033010494 558829784 /nfs/dbraw/zinc/82/97/84/558829784.db2.gz LVBXWVSYGYFJMO-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCCc4ccccc4)c3)ncn2)c1 ZINC000033010497 558829783 /nfs/dbraw/zinc/82/97/83/558829783.db2.gz WHQLXJCBLOWGNG-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033010498 558829788 /nfs/dbraw/zinc/82/97/88/558829788.db2.gz AYPHMTYWMPMETK-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)ncn2)c1 ZINC000033010501 558829758 /nfs/dbraw/zinc/82/97/58/558829758.db2.gz KTXVCFJUNJGMTF-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010504 568510285 /nfs/dbraw/zinc/51/02/85/568510285.db2.gz BWFVCPRAIGJPSM-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010505 558829766 /nfs/dbraw/zinc/82/97/66/558829766.db2.gz RDOAFGCKLQXWPC-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010506 558829731 /nfs/dbraw/zinc/82/97/31/558829731.db2.gz HQZGFLYPBBDIGV-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000033010507 558829770 /nfs/dbraw/zinc/82/97/70/558829770.db2.gz QKQGBYRASWKKOS-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010511 558829764 /nfs/dbraw/zinc/82/97/64/558829764.db2.gz PNEGQOMUGKJXLI-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1C ZINC000033010514 558829777 /nfs/dbraw/zinc/82/97/77/558829777.db2.gz WEIXDKBGSVQVAI-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN CN(C(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1)C1CCCCC1 ZINC000033010521 568510301 /nfs/dbraw/zinc/51/03/01/568510301.db2.gz VOWVWXUEKMHPPP-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010524 558829762 /nfs/dbraw/zinc/82/97/62/558829762.db2.gz JPBBWBWMSBZWEG-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c(C)c1 ZINC000033010526 558829745 /nfs/dbraw/zinc/82/97/45/558829745.db2.gz JOXFYSAJHYFWOB-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010535 558829756 /nfs/dbraw/zinc/82/97/56/558829756.db2.gz MGRDOXNIMPYAGM-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000033010537 558829781 /nfs/dbraw/zinc/82/97/81/558829781.db2.gz BQDNMXSRRSPNFY-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033010541 558829773 /nfs/dbraw/zinc/82/97/73/558829773.db2.gz KMBDSSADUUWIEZ-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NC4CCCCCC4)c3)ncn2)cc1 ZINC000033010546 558829754 /nfs/dbraw/zinc/82/97/54/558829754.db2.gz URYYIPCPTFGOIH-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)ncn2)cc1 ZINC000033010547 558829894 /nfs/dbraw/zinc/82/98/94/558829894.db2.gz CMABNVFZLYMTCZ-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010549 558829827 /nfs/dbraw/zinc/82/98/27/558829827.db2.gz QFPUBEFDUMSWGF-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033010551 558829841 /nfs/dbraw/zinc/82/98/41/558829841.db2.gz HVPICWKUEKXHLM-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)ncn2)cc1 ZINC000033010552 558829854 /nfs/dbraw/zinc/82/98/54/558829854.db2.gz QLXFSZFNBSAVLF-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)ncn2)cc1 ZINC000033010557 558829865 /nfs/dbraw/zinc/82/98/65/558829865.db2.gz LCHWXPGBFMJCRT-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010558 558829889 /nfs/dbraw/zinc/82/98/89/558829889.db2.gz OVRYZPLZCMLTSB-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)ncn2)cc1 ZINC000033010560 558829868 /nfs/dbraw/zinc/82/98/68/558829868.db2.gz SNZSZZGZTZLLOE-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)cc1 ZINC000033010561 558829884 /nfs/dbraw/zinc/82/98/84/558829884.db2.gz KZBLBFPIIOLJNF-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)ncn2)cc1 ZINC000033010567 558829850 /nfs/dbraw/zinc/82/98/50/558829850.db2.gz MQWRODMWYPPPCA-UHFFFAOYSA-N 0 0 416.431 5.726 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N(C)C4CCCCC4)c3)ncn2)cc1 ZINC000033010572 558829862 /nfs/dbraw/zinc/82/98/62/558829862.db2.gz NJVLYAQDPMFAEW-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)ncn2)cc1 ZINC000033010575 558829845 /nfs/dbraw/zinc/82/98/45/558829845.db2.gz ALGAZKRGGRFGDK-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)ncn2)cc1 ZINC000033010579 558829881 /nfs/dbraw/zinc/82/98/81/558829881.db2.gz RUWUWSKRUMQUCL-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000033010583 558829834 /nfs/dbraw/zinc/82/98/34/558829834.db2.gz DUNFBZJLPAAIDI-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)ncn2)cc1 ZINC000033010584 558829844 /nfs/dbraw/zinc/82/98/44/558829844.db2.gz DUNFBZJLPAAIDI-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)ncn2)cc1 ZINC000033010587 558829873 /nfs/dbraw/zinc/82/98/73/558829873.db2.gz GVDSLSUXGUNYIG-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccccc4C)c3)ncn2)cc1 ZINC000033010589 558829892 /nfs/dbraw/zinc/82/98/92/558829892.db2.gz BVIFCMRRDUQTIN-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1 ZINC000033010591 558829839 /nfs/dbraw/zinc/82/98/39/558829839.db2.gz BYSGBOHPSRJNRD-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCCc4ccccc4)c3)ncn2)cc1 ZINC000033010594 558829878 /nfs/dbraw/zinc/82/98/78/558829878.db2.gz KDOKEHBJDRPFSQ-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010595 558829876 /nfs/dbraw/zinc/82/98/76/558829876.db2.gz HMZSBPITWMXQPC-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)ncn2)cc1 ZINC000033010597 558829837 /nfs/dbraw/zinc/82/98/37/558829837.db2.gz YTXTVIIZFHNWSZ-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010601 571315687 /nfs/dbraw/zinc/31/56/87/571315687.db2.gz SJCCMAOFLKMKIZ-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010602 558829825 /nfs/dbraw/zinc/82/98/25/558829825.db2.gz QYVMRMOZQBNVSB-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010603 558829860 /nfs/dbraw/zinc/82/98/60/558829860.db2.gz YHEQQHZRGDCGPU-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000033010605 558829870 /nfs/dbraw/zinc/82/98/70/558829870.db2.gz LLRVMAPBWINHJR-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010608 558829852 /nfs/dbraw/zinc/82/98/52/558829852.db2.gz QOCXMQGCUVNDMB-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1C ZINC000033010611 558829833 /nfs/dbraw/zinc/82/98/33/558829833.db2.gz VVOQIZHGXJYAQC-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010620 558829886 /nfs/dbraw/zinc/82/98/86/558829886.db2.gz AHYKNYRHFWASSX-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c(C)c1 ZINC000033010621 558829857 /nfs/dbraw/zinc/82/98/57/558829857.db2.gz IWXLDWGFRXONMF-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010626 558829897 /nfs/dbraw/zinc/82/98/97/558829897.db2.gz OZFDWBJKOZRCMK-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033010628 568510283 /nfs/dbraw/zinc/51/02/83/568510283.db2.gz JSQJUFKTSPVTHV-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010633 558829847 /nfs/dbraw/zinc/82/98/47/558829847.db2.gz DIUAGGAXRVRBFP-UHFFFAOYSA-N 0 0 422.532 6.482 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1Cl ZINC000033010634 558829998 /nfs/dbraw/zinc/82/99/98/558829998.db2.gz QNHWLPZRRNHCMW-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010635 558830014 /nfs/dbraw/zinc/83/00/14/558830014.db2.gz NJFCTBFSBJMPIV-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010636 558830005 /nfs/dbraw/zinc/83/00/05/558830005.db2.gz RLXDDZQZZXVMBH-UHFFFAOYSA-N 0 0 408.505 6.263 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010639 558830008 /nfs/dbraw/zinc/83/00/08/558830008.db2.gz WJYFBCUPPLCKSH-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010640 558830024 /nfs/dbraw/zinc/83/00/24/558830024.db2.gz ZNCKLCNMMGWHPC-XMMPIXPASA-N 0 0 420.516 5.695 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010641 558830003 /nfs/dbraw/zinc/83/00/03/558830003.db2.gz ZNCKLCNMMGWHPC-DEOSSOPVSA-N 0 0 420.516 5.695 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010643 558830026 /nfs/dbraw/zinc/83/00/26/558830026.db2.gz DUWXNBOFLDUIDT-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010647 558830010 /nfs/dbraw/zinc/83/00/10/558830010.db2.gz QCSSHODJZANQFT-LJQANCHMSA-N 0 0 408.505 5.687 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010648 558830022 /nfs/dbraw/zinc/83/00/22/558830022.db2.gz QCSSHODJZANQFT-IBGZPJMESA-N 0 0 408.505 5.687 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010650 558830004 /nfs/dbraw/zinc/83/00/04/558830004.db2.gz RTLIYAHASXNCKA-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010652 558830025 /nfs/dbraw/zinc/83/00/25/558830025.db2.gz OGLGEAKKPVZONQ-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010653 558830007 /nfs/dbraw/zinc/83/00/07/558830007.db2.gz NLDGRLZUJVJCLH-FQEVSTJZSA-N 0 0 422.532 5.638 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010654 558829996 /nfs/dbraw/zinc/82/99/96/558829996.db2.gz NLDGRLZUJVJCLH-HXUWFJFHSA-N 0 0 422.532 5.638 50 0 HKAARN O=C(NCCCc1ccccc1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010655 558830016 /nfs/dbraw/zinc/83/00/16/558830016.db2.gz RCAQYFQUGUKDCA-UHFFFAOYSA-N 0 0 408.505 5.250 50 0 HKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010656 558829997 /nfs/dbraw/zinc/82/99/97/558829997.db2.gz FWVFFIALVBVVKT-UHFFFAOYSA-N 0 0 422.532 5.941 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)ncn2)c1 ZINC000033010660 558830013 /nfs/dbraw/zinc/83/00/13/558830013.db2.gz MGCVDKQKUJTWFD-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)c1 ZINC000033010661 558830000 /nfs/dbraw/zinc/83/00/00/558830000.db2.gz BJCKKSLGRUHUFO-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033010664 558830018 /nfs/dbraw/zinc/83/00/18/558830018.db2.gz FKPBXKYOZYRYMK-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)c1 ZINC000033010665 558830009 /nfs/dbraw/zinc/83/00/09/558830009.db2.gz DWBZQPATNZPZCK-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)ncn2)c1 ZINC000033010669 558830002 /nfs/dbraw/zinc/83/00/02/558830002.db2.gz LLWZYCZNCUQUIF-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010670 558830001 /nfs/dbraw/zinc/83/00/01/558830001.db2.gz UFGPTLTWQFUDRN-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)ncn2)c1 ZINC000033010672 558830012 /nfs/dbraw/zinc/83/00/12/558830012.db2.gz YFTIGFVIEQKFHA-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4cc(F)cc(F)c4)cc3)ncn2)c1 ZINC000033010679 558830011 /nfs/dbraw/zinc/83/00/11/558830011.db2.gz YHHRMBIWIFEOOY-UHFFFAOYSA-N 0 0 416.431 5.726 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)ncn2)c1 ZINC000033010684 558830006 /nfs/dbraw/zinc/83/00/06/558830006.db2.gz JJCFJVKDAMDIKM-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)ncn2)c1 ZINC000033010686 558829999 /nfs/dbraw/zinc/82/99/99/558829999.db2.gz DGKDDGBZUXGKGO-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010692 558830015 /nfs/dbraw/zinc/83/00/15/558830015.db2.gz XNJUEKRBRQXZRV-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010693 558830017 /nfs/dbraw/zinc/83/00/17/558830017.db2.gz XNJUEKRBRQXZRV-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ncn2)c1 ZINC000033010696 568510330 /nfs/dbraw/zinc/51/03/30/568510330.db2.gz UKEYTASGVIHQLC-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccccc4C)cc3)ncn2)c1 ZINC000033010698 558830081 /nfs/dbraw/zinc/83/00/81/558830081.db2.gz GXWZSMJHGAFHSH-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c1 ZINC000033010700 558830118 /nfs/dbraw/zinc/83/01/18/558830118.db2.gz VADRDCZBPNZZRB-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCCc4ccccc4)cc3)ncn2)c1 ZINC000033010703 558829397 /nfs/dbraw/zinc/82/93/97/558829397.db2.gz LEPBNDNVXZAJLX-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010704 558829326 /nfs/dbraw/zinc/82/93/26/558829326.db2.gz BFKSAYHLUKMANR-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)N(C)Cc4ccccc4)cc3)ncn2)c1 ZINC000033010707 568510303 /nfs/dbraw/zinc/51/03/03/568510303.db2.gz FQCURTFUCVCXBY-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010708 558829603 /nfs/dbraw/zinc/82/96/03/558829603.db2.gz PRFPVKICHYDVCW-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010710 558829535 /nfs/dbraw/zinc/82/95/35/558829535.db2.gz KYPQZXMDIISBTP-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010711 558829657 /nfs/dbraw/zinc/82/96/57/558829657.db2.gz UVJGLFFONSHMBL-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c1 ZINC000033010713 558829683 /nfs/dbraw/zinc/82/96/83/558829683.db2.gz LBPUUWWOCKSRCE-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010717 558830575 /nfs/dbraw/zinc/83/05/75/558830575.db2.gz VTAWJIZXKVQKGK-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1C ZINC000033010721 558830492 /nfs/dbraw/zinc/83/04/92/558830492.db2.gz UEBDTOQYWJASED-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN CN(C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1)C1CCCCC1 ZINC000033010729 558830668 /nfs/dbraw/zinc/83/06/68/558830668.db2.gz RMHXQIHIUBIYRW-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010733 558830712 /nfs/dbraw/zinc/83/07/12/558830712.db2.gz XYEPIOAPZRAFPW-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c(C)c1 ZINC000033010735 568510273 /nfs/dbraw/zinc/51/02/73/568510273.db2.gz SQCFSEPXIUONRI-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033010756 558830699 /nfs/dbraw/zinc/83/06/99/558830699.db2.gz MWILFMVZFJHLSG-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c1 ZINC000033010759 558830682 /nfs/dbraw/zinc/83/06/82/558830682.db2.gz LPWXNTIIHDFMHG-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033010766 558830696 /nfs/dbraw/zinc/83/06/96/558830696.db2.gz KLPPYUMYOLDZQD-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)ncn2)cc1 ZINC000033010775 558830725 /nfs/dbraw/zinc/83/07/25/558830725.db2.gz ZQCUVWWRLHOALK-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)cc1 ZINC000033010777 558830704 /nfs/dbraw/zinc/83/07/04/558830704.db2.gz HRGPKOLWLCDMRR-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033010780 558830719 /nfs/dbraw/zinc/83/07/19/558830719.db2.gz XZDBUSFDOMFYIT-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033010782 558830709 /nfs/dbraw/zinc/83/07/09/558830709.db2.gz BKWPTDHZUDYADB-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)cc1 ZINC000033010783 568510302 /nfs/dbraw/zinc/51/03/02/568510302.db2.gz FXNONVGSLCTJIY-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)ncn2)cc1 ZINC000033010791 558830706 /nfs/dbraw/zinc/83/07/06/558830706.db2.gz VIXUSMNWHSJAJY-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033010792 558830675 /nfs/dbraw/zinc/83/06/75/558830675.db2.gz QBWZUVHHMFQUKE-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)ncn2)cc1 ZINC000033010795 558830716 /nfs/dbraw/zinc/83/07/16/558830716.db2.gz WHMKBMWLMYHXAN-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4cc(F)cc(F)c4)cc3)ncn2)cc1 ZINC000033010802 558830729 /nfs/dbraw/zinc/83/07/29/558830729.db2.gz XENZJGNVISILGN-UHFFFAOYSA-N 0 0 416.431 5.726 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)ncn2)cc1 ZINC000033010812 558830112 /nfs/dbraw/zinc/83/01/12/558830112.db2.gz CMLDIBWDMHHJTH-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)ncn2)cc1 ZINC000033010817 558830103 /nfs/dbraw/zinc/83/01/03/558830103.db2.gz LZHFSCYUWVSUIY-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)ncn2)cc1 ZINC000033010824 568510318 /nfs/dbraw/zinc/51/03/18/568510318.db2.gz TVNXNKKGTVTURH-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc3)ncn2)cc1 ZINC000033010829 558830133 /nfs/dbraw/zinc/83/01/33/558830133.db2.gz LBIRTHYRBRXUSR-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N[C@@H](C)c4ccc(C)cc4)cc3)ncn2)cc1 ZINC000033010832 558830101 /nfs/dbraw/zinc/83/01/01/558830101.db2.gz LBIRTHYRBRXUSR-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ncn2)cc1 ZINC000033010838 558830150 /nfs/dbraw/zinc/83/01/50/558830150.db2.gz JSDIIUXDNGMUBQ-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4ccccc4C)cc3)ncn2)cc1 ZINC000033010843 568510305 /nfs/dbraw/zinc/51/03/05/568510305.db2.gz DFDLFPDNJOQTTF-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCc4cccc(C)c4)cc3)ncn2)cc1 ZINC000033010848 558830148 /nfs/dbraw/zinc/83/01/48/558830148.db2.gz WRVONMTVZGTOKL-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NCCCc4ccccc4)cc3)ncn2)cc1 ZINC000033010854 558830093 /nfs/dbraw/zinc/83/00/93/558830093.db2.gz RAVLJHMECMHYQL-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033010855 558830107 /nfs/dbraw/zinc/83/01/07/558830107.db2.gz YHSWDHLGTSUVRV-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)N(C)Cc4ccccc4)cc3)ncn2)cc1 ZINC000033010860 558830114 /nfs/dbraw/zinc/83/01/14/558830114.db2.gz JPLAAPDJFNFXQT-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010866 558830116 /nfs/dbraw/zinc/83/01/16/558830116.db2.gz KFGUJQMUGTUCCU-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010867 558830135 /nfs/dbraw/zinc/83/01/35/558830135.db2.gz OXSNRFFKBRMHOK-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010869 558830097 /nfs/dbraw/zinc/83/00/97/558830097.db2.gz LLWWPHKIINUPPQ-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033010872 558830143 /nfs/dbraw/zinc/83/01/43/558830143.db2.gz OCRREZDXKFCAKX-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010875 558830145 /nfs/dbraw/zinc/83/01/45/558830145.db2.gz OHTPHIPPOUKYRT-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN CN(C(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1)C1CCCCC1 ZINC000033010887 558830138 /nfs/dbraw/zinc/83/01/38/558830138.db2.gz KCHNKGCMNHRKNY-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c(C)c1 ZINC000033010890 558830154 /nfs/dbraw/zinc/83/01/54/558830154.db2.gz IVHKNQFTYQPQCK-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033010899 558830288 /nfs/dbraw/zinc/83/02/88/558830288.db2.gz UNBNBDBAAXMQIM-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033010900 558830292 /nfs/dbraw/zinc/83/02/92/558830292.db2.gz FCDARLKYYOIXGP-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010903 558830243 /nfs/dbraw/zinc/83/02/43/558830243.db2.gz WNCSGLFMWVLPQN-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010914 558830279 /nfs/dbraw/zinc/83/02/79/558830279.db2.gz LKDQJUVIDDLKLA-UHFFFAOYSA-N 0 0 422.532 6.482 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1Cl ZINC000033010915 558830254 /nfs/dbraw/zinc/83/02/54/558830254.db2.gz FJIJHHHTMJOXPI-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010919 558830271 /nfs/dbraw/zinc/83/02/71/558830271.db2.gz CYKKSWXMAPACBQ-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010920 558830294 /nfs/dbraw/zinc/83/02/94/558830294.db2.gz USFSBZKAPZKIEV-UHFFFAOYSA-N 0 0 408.505 6.263 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010925 558830264 /nfs/dbraw/zinc/83/02/64/558830264.db2.gz ZJJZUCRXTIQNGP-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010927 558830293 /nfs/dbraw/zinc/83/02/93/558830293.db2.gz JLWZVAHFWNHKQL-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010935 558830237 /nfs/dbraw/zinc/83/02/37/558830237.db2.gz FKBKTQNZMSZMFT-LJQANCHMSA-N 0 0 408.505 5.687 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010937 558830269 /nfs/dbraw/zinc/83/02/69/558830269.db2.gz FKBKTQNZMSZMFT-IBGZPJMESA-N 0 0 408.505 5.687 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010942 558830242 /nfs/dbraw/zinc/83/02/42/558830242.db2.gz VLMOGLOMHLTGIG-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010947 558830291 /nfs/dbraw/zinc/83/02/91/558830291.db2.gz FNSAAIZKQSRHAQ-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010949 558830274 /nfs/dbraw/zinc/83/02/74/558830274.db2.gz FNJWFJCPXNDXSR-FQEVSTJZSA-N 0 0 422.532 5.638 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010952 558830247 /nfs/dbraw/zinc/83/02/47/558830247.db2.gz FNJWFJCPXNDXSR-HXUWFJFHSA-N 0 0 422.532 5.638 50 0 HKAARN O=C(NCCCc1ccccc1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010955 558830267 /nfs/dbraw/zinc/83/02/67/558830267.db2.gz UNCNYPDZAXOVHZ-UHFFFAOYSA-N 0 0 408.505 5.250 50 0 HKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033010957 558830263 /nfs/dbraw/zinc/83/02/63/558830263.db2.gz GCHPRCMEHXYGRB-UHFFFAOYSA-N 0 0 422.532 5.941 50 0 HKAARN Cc1ccc(C)c(OCc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c1 ZINC000033011698 558831096 /nfs/dbraw/zinc/83/10/96/558831096.db2.gz UUHKOVAREDWDBS-UHFFFAOYSA-N 0 0 400.931 5.482 50 0 HKAARN Cc1ccc(C)c(OCc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)c1 ZINC000033011699 558831104 /nfs/dbraw/zinc/83/11/04/558831104.db2.gz WQRGFQITCNMTIN-UHFFFAOYSA-N 0 0 400.931 5.482 50 0 HKAARN Cc1ccc(C)c(OCc2nc(CC(=O)Nc3nc4c(cccc4C)s3)cs2)c1 ZINC000033011707 558831094 /nfs/dbraw/zinc/83/10/94/558831094.db2.gz BLYFABPZZBEFDP-UHFFFAOYSA-N 0 0 423.563 5.438 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)Cc2csc(COc3cc(C)ccc3C)n2)cc1 ZINC000033011713 558831120 /nfs/dbraw/zinc/83/11/20/558831120.db2.gz VVSMHWKEMBAYFI-QGZVFWFLSA-N 0 0 408.567 6.034 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)Cc2csc(COc3cc(C)ccc3C)n2)cc1 ZINC000033011715 558831072 /nfs/dbraw/zinc/83/10/72/558831072.db2.gz VVSMHWKEMBAYFI-KRWDZBQOSA-N 0 0 408.567 6.034 50 0 HKAARN Cc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)c1C ZINC000033011730 558831054 /nfs/dbraw/zinc/83/10/54/558831054.db2.gz SIIFWKHHWCCKQZ-UHFFFAOYSA-N 0 0 400.931 5.482 50 0 HKAARN Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)c(C)c1 ZINC000033011732 558831052 /nfs/dbraw/zinc/83/10/52/558831052.db2.gz INYDWNNLMHOFRS-UHFFFAOYSA-N 0 0 400.931 5.482 50 0 HKAARN Cc1cc(OCc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)ccc1Cl ZINC000033011734 558831036 /nfs/dbraw/zinc/83/10/36/558831036.db2.gz KUQBMCWPSMVDSW-OAHLLOKOSA-N 0 0 400.931 5.104 50 0 HKAARN Cc1cc(OCc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)ccc1Cl ZINC000033011736 558831047 /nfs/dbraw/zinc/83/10/47/558831047.db2.gz KUQBMCWPSMVDSW-HNNXBMFYSA-N 0 0 400.931 5.104 50 0 HKAARN Cc1cc(OCc2nc(CC(=O)N[C@H](C)c3cccs3)cs2)ccc1Cl ZINC000033011749 558831106 /nfs/dbraw/zinc/83/11/06/558831106.db2.gz OBPJYZCPGWRZLA-CYBMUJFWSA-N 0 0 406.960 5.165 50 0 HKAARN Cc1cc(OCc2nc(CC(=O)N[C@@H](C)c3cccs3)cs2)ccc1Cl ZINC000033011751 558831060 /nfs/dbraw/zinc/83/10/60/558831060.db2.gz OBPJYZCPGWRZLA-ZDUSSCGKSA-N 0 0 406.960 5.165 50 0 HKAARN CSc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000033011753 558831101 /nfs/dbraw/zinc/83/11/01/558831101.db2.gz UTSMDWYXCIFNOW-UHFFFAOYSA-N 0 0 418.971 5.587 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 ZINC000033011781 558831200 /nfs/dbraw/zinc/83/12/00/558831200.db2.gz STKDRMVSPINUOO-UHFFFAOYSA-N 0 0 400.931 5.428 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)cc1 ZINC000033011784 558831222 /nfs/dbraw/zinc/83/12/22/558831222.db2.gz KXGVELHPXMNPFY-UHFFFAOYSA-N 0 0 423.563 5.384 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)cs2)cc1 ZINC000033011790 558831208 /nfs/dbraw/zinc/83/12/08/558831208.db2.gz ZMOLPCKVMPPFMF-HNNXBMFYSA-N 0 0 414.958 5.358 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)N[C@H](C)c3ccc(Cl)cc3)cs2)cc1 ZINC000033011792 568510395 /nfs/dbraw/zinc/51/03/95/568510395.db2.gz ZMOLPCKVMPPFMF-OAHLLOKOSA-N 0 0 414.958 5.358 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)N[C@@H](C)c3ccc(CC)cc3)cs2)cc1 ZINC000033011794 558831205 /nfs/dbraw/zinc/83/12/05/558831205.db2.gz LEOXJZTWRDPYJV-KRWDZBQOSA-N 0 0 408.567 5.267 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)N[C@H](C)c3ccc(CC)cc3)cs2)cc1 ZINC000033011796 558831206 /nfs/dbraw/zinc/83/12/06/558831206.db2.gz LEOXJZTWRDPYJV-QGZVFWFLSA-N 0 0 408.567 5.267 50 0 HKAARN CCc1ccc(OCc2nc(CC(=O)Nc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000033011800 558831217 /nfs/dbraw/zinc/83/12/17/558831217.db2.gz JXGHYTKTZLQXTM-UHFFFAOYSA-N 0 0 408.567 5.763 50 0 HKAARN CCCCc1ccc(NC(=O)Cc2csc(COc3ccc(C)c(C)c3)n2)cc1 ZINC000033011821 558830968 /nfs/dbraw/zinc/83/09/68/558830968.db2.gz BQCPTLYIRCTVQW-UHFFFAOYSA-N 0 0 408.567 5.863 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(COc2ccc(C)c(C)c2)n1 ZINC000033011857 558831501 /nfs/dbraw/zinc/83/15/01/558831501.db2.gz CKJFZHGELNOJDE-UHFFFAOYSA-N 0 0 416.930 5.182 50 0 HKAARN Cc1cccc2sc(NC(=O)Cc3csc(COc4ccc(C)c(C)c4)n3)nc21 ZINC000033011861 558831571 /nfs/dbraw/zinc/83/15/71/558831571.db2.gz WKVJUNKSLNZTEJ-UHFFFAOYSA-N 0 0 423.563 5.438 50 0 HKAARN CC(C)(C)c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000033012220 558832049 /nfs/dbraw/zinc/83/20/49/558832049.db2.gz FGTIWPCTQLENIQ-UHFFFAOYSA-N 0 0 423.582 5.102 50 0 HKAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@@H]1c1cccs1 ZINC000033012274 558759766 /nfs/dbraw/zinc/75/97/66/558759766.db2.gz RKQXRMZQCOILTF-OAHLLOKOSA-N 0 0 403.301 5.143 50 0 HKAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@H]1c1cccs1 ZINC000033012275 558759804 /nfs/dbraw/zinc/75/98/04/558759804.db2.gz RKQXRMZQCOILTF-HNNXBMFYSA-N 0 0 403.301 5.143 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000033012677 558832417 /nfs/dbraw/zinc/83/24/17/558832417.db2.gz ZYALDVCORXNFGQ-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000033012678 558832453 /nfs/dbraw/zinc/83/24/53/558832453.db2.gz WKIRZRVWNYBVEH-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3F)n2)cc1 ZINC000033012877 558832852 /nfs/dbraw/zinc/83/28/52/558832852.db2.gz HDBQAXMOAKJWNS-UHFFFAOYSA-N 0 0 403.413 5.015 50 0 HKAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000033012880 558832820 /nfs/dbraw/zinc/83/28/20/558832820.db2.gz UFYIPDCLSYWDED-UHFFFAOYSA-N 0 0 403.413 5.015 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)OCc1ccccc1Cl ZINC000033013853 558833644 /nfs/dbraw/zinc/83/36/44/558833644.db2.gz RVNXBDRONIBQAW-UHFFFAOYSA-N 0 0 422.937 5.574 50 0 HKAARN Cc1ccc(COC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000033013855 558833740 /nfs/dbraw/zinc/83/37/40/558833740.db2.gz XDVXUGILPCNNJU-UHFFFAOYSA-N 0 0 402.519 5.229 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)OCc1ccccc1F ZINC000033013895 558833676 /nfs/dbraw/zinc/83/36/76/558833676.db2.gz YKPWOJZVIRYZAX-UHFFFAOYSA-N 0 0 406.482 5.059 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCc1ccccc1 ZINC000033014005 558833720 /nfs/dbraw/zinc/83/37/20/558833720.db2.gz ICOWXBNTWFDXKM-UHFFFAOYSA-N 0 0 406.482 5.059 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCc1ccccc1F ZINC000033014032 558833695 /nfs/dbraw/zinc/83/36/95/558833695.db2.gz PQOVSQDLOFNEIS-UHFFFAOYSA-N 0 0 424.472 5.198 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000033014034 558833682 /nfs/dbraw/zinc/83/36/82/558833682.db2.gz LIPZIRHDZMNBAS-UHFFFAOYSA-N 0 0 424.472 5.198 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCCC2)n1 ZINC000033014156 558834218 /nfs/dbraw/zinc/83/42/18/558834218.db2.gz CLKMGNTZNQURLM-UHFFFAOYSA-N 0 0 421.589 5.818 50 0 HKAARN Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4ccccc4C)cc3)nc(C)n2)cc1 ZINC000033014167 558834236 /nfs/dbraw/zinc/83/42/36/558834236.db2.gz FVNJAKFMYABTLG-UHFFFAOYSA-N 0 0 423.520 6.141 50 0 HKAARN O=C(Nc1ccccc1)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000033018498 558834549 /nfs/dbraw/zinc/83/45/49/558834549.db2.gz CXHHMMXOBBPTGN-UHFFFAOYSA-N 0 0 421.547 6.111 50 0 HKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)Nc1ccccc1F ZINC000033018520 558834601 /nfs/dbraw/zinc/83/46/01/558834601.db2.gz ILPDSUSMDRHJBM-UHFFFAOYSA-N 0 0 409.511 6.372 50 0 HKAARN O=C(Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1)c1cccs1 ZINC000033018568 132500362 /nfs/dbraw/zinc/50/03/62/132500362.db2.gz AUIYFRKQAATDME-UHFFFAOYSA-N 0 0 408.914 5.024 50 0 HKAARN O=C(Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1)c1cccs1 ZINC000033018576 132500358 /nfs/dbraw/zinc/50/03/58/132500358.db2.gz LYDHPJNWPCZSAJ-UHFFFAOYSA-N 0 0 408.914 5.024 50 0 HKAARN Cc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C1CCCCC1 ZINC000033018588 132500364 /nfs/dbraw/zinc/50/03/64/132500364.db2.gz QEYTWTGGTHNITM-UHFFFAOYSA-N 0 0 422.960 5.537 50 0 HKAARN Cc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1cccs1 ZINC000033018604 558834519 /nfs/dbraw/zinc/83/45/19/558834519.db2.gz XHWSXMSNGSXPAG-UHFFFAOYSA-N 0 0 422.941 5.332 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(CC)cc3)cs2)c1C ZINC000033019309 558835769 /nfs/dbraw/zinc/83/57/69/558835769.db2.gz ZYIHDMBPSVRXIF-UHFFFAOYSA-N 0 0 410.587 5.422 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3Cl)cs2)c1C ZINC000033019327 558835886 /nfs/dbraw/zinc/83/58/86/558835886.db2.gz DJTSJURBVLKJJB-UHFFFAOYSA-N 0 0 416.978 5.513 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c1C ZINC000033019332 558835909 /nfs/dbraw/zinc/83/59/09/558835909.db2.gz ZUHQCKSVIHFXFW-UHFFFAOYSA-N 0 0 416.978 5.513 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3c(C)cccc3C)cs2)c1C ZINC000033019348 558835887 /nfs/dbraw/zinc/83/58/87/558835887.db2.gz CFNWXOFEETXAFL-UHFFFAOYSA-N 0 0 410.587 5.476 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c1C ZINC000033019351 558835914 /nfs/dbraw/zinc/83/59/14/558835914.db2.gz PDKZATPEJYXMCC-UHFFFAOYSA-N 0 0 410.587 5.476 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c1C ZINC000033019356 558835921 /nfs/dbraw/zinc/83/59/21/558835921.db2.gz VEBHHYHQTICOFD-UHFFFAOYSA-N 0 0 416.978 5.513 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c1C ZINC000033019359 558835920 /nfs/dbraw/zinc/83/59/20/558835920.db2.gz GQSACLBYYRKNMC-UHFFFAOYSA-N 0 0 410.587 5.476 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1C ZINC000033019369 558835888 /nfs/dbraw/zinc/83/58/88/558835888.db2.gz CEGHPSXRSWFXPI-UHFFFAOYSA-N 0 0 410.587 5.476 50 0 HKAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3CC)cs2)c1C ZINC000033019372 558835919 /nfs/dbraw/zinc/83/59/19/558835919.db2.gz FYKNSJPUVBNJFJ-UHFFFAOYSA-N 0 0 410.587 5.422 50 0 HKAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000033019619 558836146 /nfs/dbraw/zinc/83/61/46/558836146.db2.gz MAVXSGIBQIPWHW-UHFFFAOYSA-N 0 0 413.506 5.052 50 0 HKAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000033019622 558836177 /nfs/dbraw/zinc/83/61/77/558836177.db2.gz SBBMTDRSBIWSJG-UHFFFAOYSA-N 0 0 414.896 5.735 50 0 HKAARN CCn1c(CCc2ccccc2NC(=O)Cc2ccc(F)cc2)nc2ccccc21 ZINC000033019727 558836309 /nfs/dbraw/zinc/83/63/09/558836309.db2.gz NWLQRDLOKLFSEK-UHFFFAOYSA-N 0 0 401.485 5.162 50 0 HKAARN CCn1c(CCc2ccccc2NC(=O)Cc2ccccc2Cl)nc2ccccc21 ZINC000033019732 558836303 /nfs/dbraw/zinc/83/63/03/558836303.db2.gz LPLOXKJTKIPNQG-UHFFFAOYSA-N 0 0 417.940 5.676 50 0 HKAARN CCCn1c(CCc2ccccc2NC(=O)Cc2ccc(F)cc2)nc2ccccc21 ZINC000033019746 558836325 /nfs/dbraw/zinc/83/63/25/558836325.db2.gz UKZMFLOSRQBLJL-UHFFFAOYSA-N 0 0 415.512 5.552 50 0 HKAARN CCCn1c(CCc2ccccc2NC(=O)Cc2ccccc2C)nc2ccccc21 ZINC000033019778 558836323 /nfs/dbraw/zinc/83/63/23/558836323.db2.gz OOPBIODTZSMNRF-UHFFFAOYSA-N 0 0 411.549 5.721 50 0 HKAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)c1 ZINC000033019884 558836374 /nfs/dbraw/zinc/83/63/74/558836374.db2.gz BMYFTZDTIOUBAW-UHFFFAOYSA-N 0 0 422.488 5.564 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccccc2Sc2cc(C)nc3ncnn32)c(Cl)c1 ZINC000033019916 558836338 /nfs/dbraw/zinc/83/63/38/558836338.db2.gz SWWOPGJVDPFACK-UHFFFAOYSA-N 0 0 424.917 5.190 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1ccc(C)cc1 ZINC000033019933 558836336 /nfs/dbraw/zinc/83/63/36/558836336.db2.gz QCYODWJSEJAHMF-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN O=C(Nc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1)c1ccccc1 ZINC000033020131 558836518 /nfs/dbraw/zinc/83/65/18/558836518.db2.gz ISIWESHBLWFHDP-UHFFFAOYSA-N 0 0 407.882 5.454 50 0 HKAARN O=C(Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1)c1ccccc1 ZINC000033020133 558836490 /nfs/dbraw/zinc/83/64/90/558836490.db2.gz HKTCWIOZWOVSJL-UHFFFAOYSA-N 0 0 407.882 5.454 50 0 HKAARN O=C(CSc1ccccc1)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033020147 558836486 /nfs/dbraw/zinc/83/64/86/558836486.db2.gz XZPBQVHVNWLKKX-UHFFFAOYSA-N 0 0 419.531 5.279 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033020170 558836516 /nfs/dbraw/zinc/83/65/16/558836516.db2.gz ZIZURVQRJJWBBX-UHFFFAOYSA-N 0 0 411.502 5.135 50 0 HKAARN COc1cccc(CC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000033020176 558836523 /nfs/dbraw/zinc/83/65/23/558836523.db2.gz NTCFVXSBMQDHCH-UHFFFAOYSA-N 0 0 423.538 5.005 50 0 HKAARN COc1ccc(CC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033020178 558836503 /nfs/dbraw/zinc/83/65/03/558836503.db2.gz OCDQDODPQWXJHY-UHFFFAOYSA-N 0 0 423.538 5.005 50 0 HKAARN O=C(CCc1ccccc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033020199 558836351 /nfs/dbraw/zinc/83/63/51/558836351.db2.gz 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Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)n2)c1 ZINC000033025106 568510400 /nfs/dbraw/zinc/51/04/00/568510400.db2.gz CGUWWFWQMLVWQT-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2ccnc(-c3cccc(C)c3)n2)c1 ZINC000033025107 558844093 /nfs/dbraw/zinc/84/40/93/558844093.db2.gz UYZBFGBAJOXMQE-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)N(C)C4CCCCC4)c3)n2)c1 ZINC000033025112 558844282 /nfs/dbraw/zinc/84/42/82/558844282.db2.gz LYCOWEAIGCSFEG-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)c1 ZINC000033025115 558844233 /nfs/dbraw/zinc/84/42/33/558844233.db2.gz GFHGFISPVHATJU-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)n2)c1 ZINC000033025118 558844250 /nfs/dbraw/zinc/84/42/50/558844250.db2.gz UCASIHLMHIVNLZ-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)c1 ZINC000033025124 558844299 /nfs/dbraw/zinc/84/42/99/558844299.db2.gz OGQLPCCLGHDILO-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)c1 ZINC000033025128 558844254 /nfs/dbraw/zinc/84/42/54/558844254.db2.gz ZWCSXFUQYKLFNY-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCCCc4ccccc4)c3)n2)c1 ZINC000033025129 558844304 /nfs/dbraw/zinc/84/43/04/558844304.db2.gz NSZCYXHICLAHFK-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1 ZINC000033025131 558844225 /nfs/dbraw/zinc/84/42/25/558844225.db2.gz NNSBWKVQYPUUTG-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)c1 ZINC000033025134 558844311 /nfs/dbraw/zinc/84/43/11/558844311.db2.gz KRMTYADTSKCFSD-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1 ZINC000033025135 558844238 /nfs/dbraw/zinc/84/42/38/558844238.db2.gz PNTDSWXOZKMVQV-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025151 558844320 /nfs/dbraw/zinc/84/43/20/558844320.db2.gz QKJWZLSRMMBYPB-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025153 558844246 /nfs/dbraw/zinc/84/42/46/558844246.db2.gz ZVGYVFLHKYRKRC-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025156 558844285 /nfs/dbraw/zinc/84/42/85/558844285.db2.gz UWGXPBIFKBUYGJ-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025161 558844315 /nfs/dbraw/zinc/84/43/15/558844315.db2.gz DJRYFBQPIFOKNG-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025163 558844309 /nfs/dbraw/zinc/84/43/09/558844309.db2.gz IAMICQYKOSSEFU-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025165 558844279 /nfs/dbraw/zinc/84/42/79/558844279.db2.gz GYNJRQVVVFVPAS-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025167 558844241 /nfs/dbraw/zinc/84/42/41/558844241.db2.gz LAVFSVFOUZSBLF-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1C ZINC000033025172 558844306 /nfs/dbraw/zinc/84/43/06/558844306.db2.gz AZUWMYNSIRBCLB-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025175 558844318 /nfs/dbraw/zinc/84/43/18/558844318.db2.gz RRYOVNVJRGXNHT-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025181 558844263 /nfs/dbraw/zinc/84/42/63/558844263.db2.gz HYKPNMUEJNIDAU-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025182 558844275 /nfs/dbraw/zinc/84/42/75/558844275.db2.gz PCGZULBCTJKJGY-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c(C)c1 ZINC000033025185 568510436 /nfs/dbraw/zinc/51/04/36/568510436.db2.gz XSMBKORYWTWJDN-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025195 558844307 /nfs/dbraw/zinc/84/43/07/558844307.db2.gz VCOPYSDGQRJNFP-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025197 558844268 /nfs/dbraw/zinc/84/42/68/558844268.db2.gz PQNRMASJNJQOMA-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NC4CCCCCC4)c3)n2)cc1 ZINC000033025231 558844972 /nfs/dbraw/zinc/84/49/72/558844972.db2.gz MUNZGISJOMVCBL-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)n2)cc1 ZINC000033025234 558844920 /nfs/dbraw/zinc/84/49/20/558844920.db2.gz RLFDHCGJDIRRSA-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025238 558845113 /nfs/dbraw/zinc/84/51/13/558845113.db2.gz SBJRMJJGOKXTKF-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033025241 558845044 /nfs/dbraw/zinc/84/50/44/558845044.db2.gz KEYJIJNPNAXIHR-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000033025242 558845118 /nfs/dbraw/zinc/84/51/18/558845118.db2.gz BWCDMQIIHAQEOR-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)n2)cc1 ZINC000033025243 568510397 /nfs/dbraw/zinc/51/03/97/568510397.db2.gz FASHUJLMRRXYLK-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033025245 558845093 /nfs/dbraw/zinc/84/50/93/558845093.db2.gz GBOVXZYDJQIEHG-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1 ZINC000033025248 558845078 /nfs/dbraw/zinc/84/50/78/558845078.db2.gz FBRGHTQQXCBDJN-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025249 558845105 /nfs/dbraw/zinc/84/51/05/558845105.db2.gz QKMKQSYHXRGVJN-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)n2)cc1 ZINC000033025261 558845566 /nfs/dbraw/zinc/84/55/66/558845566.db2.gz HXFNBBXCMPNFRO-UHFFFAOYSA-N 0 0 416.431 5.726 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033025268 558845563 /nfs/dbraw/zinc/84/55/63/558845563.db2.gz KYFORJABDDCBDE-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025269 558845546 /nfs/dbraw/zinc/84/55/46/558845546.db2.gz AGYNRNMUYGVXPO-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)n2)cc1 ZINC000033025273 558845515 /nfs/dbraw/zinc/84/55/15/558845515.db2.gz YPZRNRIFTUQAGU-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033025278 558845552 /nfs/dbraw/zinc/84/55/52/558845552.db2.gz VTWXUBYNJXQERS-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033025279 558845565 /nfs/dbraw/zinc/84/55/65/558845565.db2.gz VTWXUBYNJXQERS-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1 ZINC000033025282 558845567 /nfs/dbraw/zinc/84/55/67/558845567.db2.gz WVUDQDQDTBNSMC-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1 ZINC000033025284 558845553 /nfs/dbraw/zinc/84/55/53/558845553.db2.gz LWDKFRINPPMJGP-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4cccc(C)c4)c3)n2)cc1 ZINC000033025287 558845569 /nfs/dbraw/zinc/84/55/69/558845569.db2.gz FUDZDGMAPLGEPY-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCCc4ccccc4)c3)n2)cc1 ZINC000033025290 558845529 /nfs/dbraw/zinc/84/55/29/558845529.db2.gz SHUYIFDXJXDFCW-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025292 558845556 /nfs/dbraw/zinc/84/55/56/558845556.db2.gz PSMAFMKDWKOYSL-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033025296 558845551 /nfs/dbraw/zinc/84/55/51/558845551.db2.gz UIBXCWMFFHWBIE-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033025297 568510527 /nfs/dbraw/zinc/51/05/27/568510527.db2.gz IAJKGJCXAFQSRP-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)cc1 ZINC000033025298 558845561 /nfs/dbraw/zinc/84/55/61/558845561.db2.gz VTOUQBZLTBBCST-UHFFFAOYSA-N 0 0 408.505 5.468 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025316 558845534 /nfs/dbraw/zinc/84/55/34/558845534.db2.gz AEWYAWBJMOFMMH-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025317 558845080 /nfs/dbraw/zinc/84/50/80/558845080.db2.gz AXLJPSLLEQTONO-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025318 558845096 /nfs/dbraw/zinc/84/50/96/558845096.db2.gz VDTOOOZATMKINE-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c1 ZINC000033025323 558845023 /nfs/dbraw/zinc/84/50/23/558845023.db2.gz FWGISZNLMPAGHF-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c1 ZINC000033025325 558845116 /nfs/dbraw/zinc/84/51/16/558845116.db2.gz LHYCEAXHCDTXGC-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025327 558845098 /nfs/dbraw/zinc/84/50/98/558845098.db2.gz DUQONFUIQALVSD-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025329 558845108 /nfs/dbraw/zinc/84/51/08/558845108.db2.gz QRZYMHLWOWFQFI-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1C ZINC000033025334 558845039 /nfs/dbraw/zinc/84/50/39/558845039.db2.gz MVFRZPPDGZSHMD-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025338 558845067 /nfs/dbraw/zinc/84/50/67/558845067.db2.gz FJPOUPYMECBKRJ-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025342 558845125 /nfs/dbraw/zinc/84/51/25/558845125.db2.gz NVHHNONCOBNDJK-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025347 558845270 /nfs/dbraw/zinc/84/52/70/558845270.db2.gz CDPQYBBQXIWYNS-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025348 558845281 /nfs/dbraw/zinc/84/52/81/558845281.db2.gz JUVGDHCCERSZSN-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c(C)c1 ZINC000033025349 558845276 /nfs/dbraw/zinc/84/52/76/558845276.db2.gz RWRWGQVNOLZXKD-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025359 558845266 /nfs/dbraw/zinc/84/52/66/558845266.db2.gz RTBBYLFBQFVYTN-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025361 558845249 /nfs/dbraw/zinc/84/52/49/558845249.db2.gz SIYFMIFGWJKARW-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c1 ZINC000033025364 558845245 /nfs/dbraw/zinc/84/52/45/558845245.db2.gz BXHPUEKKFOUFTR-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025369 558845275 /nfs/dbraw/zinc/84/52/75/558845275.db2.gz NLYZKCSXHOINHV-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CCCCc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025386 558845364 /nfs/dbraw/zinc/84/53/64/558845364.db2.gz UHQNFETUHKGZBH-UHFFFAOYSA-N 0 0 422.532 6.482 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1Cl ZINC000033025387 558845554 /nfs/dbraw/zinc/84/55/54/558845554.db2.gz QMQOLQRYQCJJBX-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025389 558845988 /nfs/dbraw/zinc/84/59/88/558845988.db2.gz MYTBITWHWQVHSR-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025390 558845982 /nfs/dbraw/zinc/84/59/82/558845982.db2.gz CCLHWBJZLMWBOU-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025392 558845998 /nfs/dbraw/zinc/84/59/98/558845998.db2.gz KQAQVFXYCMVKMY-UHFFFAOYSA-N 0 0 408.505 6.263 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025400 558845928 /nfs/dbraw/zinc/84/59/28/558845928.db2.gz YQLGUJXFZIPYJQ-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025404 558845932 /nfs/dbraw/zinc/84/59/32/558845932.db2.gz UTZMTGJEPDLSNQ-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025409 558845991 /nfs/dbraw/zinc/84/59/91/558845991.db2.gz DBURNZKAPDPYOK-LJQANCHMSA-N 0 0 408.505 5.687 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025410 558845913 /nfs/dbraw/zinc/84/59/13/558845913.db2.gz DBURNZKAPDPYOK-IBGZPJMESA-N 0 0 408.505 5.687 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025418 558845935 /nfs/dbraw/zinc/84/59/35/558845935.db2.gz HUMWRXCCNILTNT-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN CC(C)c1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025424 558845975 /nfs/dbraw/zinc/84/59/75/558845975.db2.gz HGOWIQSTAGZWEM-UHFFFAOYSA-N 0 0 422.532 5.941 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1 ZINC000033025465 558846117 /nfs/dbraw/zinc/84/61/17/558846117.db2.gz AFMSRBTWGBWEEN-UHFFFAOYSA-N 0 0 411.937 5.263 50 0 HKAARN Cc1cc(C)cc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 ZINC000033025562 558846296 /nfs/dbraw/zinc/84/62/96/558846296.db2.gz HFHCXOCXLLKOMC-UHFFFAOYSA-N 0 0 417.488 5.066 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCC[C@H]3C)n2-c2ccccc2)cc1C ZINC000033025592 558846308 /nfs/dbraw/zinc/84/63/08/558846308.db2.gz UFHWDFIYDVKCCT-LJQANCHMSA-N 0 0 420.582 5.044 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCC[C@@H]3C)n2-c2ccccc2)cc1C ZINC000033025594 558846222 /nfs/dbraw/zinc/84/62/22/558846222.db2.gz UFHWDFIYDVKCCT-IBGZPJMESA-N 0 0 420.582 5.044 50 0 HKAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCCCC3)n2-c2ccccc2)cc1C ZINC000033025606 558846419 /nfs/dbraw/zinc/84/64/19/558846419.db2.gz FFYKJKKTQDVDNS-UHFFFAOYSA-N 0 0 420.582 5.046 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)c(Cl)c1 ZINC000033025728 558846584 /nfs/dbraw/zinc/84/65/84/558846584.db2.gz LAFJYLLWEUUDQM-UHFFFAOYSA-N 0 0 400.862 5.428 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2c(c1)CCCC2 ZINC000033025730 558846629 /nfs/dbraw/zinc/84/66/29/558846629.db2.gz XGGNHGGUNLEZEY-UHFFFAOYSA-N 0 0 402.519 5.515 50 0 HKAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025736 558846606 /nfs/dbraw/zinc/84/66/06/558846606.db2.gz QUAKSXYMWWYDJZ-UHFFFAOYSA-N 0 0 404.535 5.834 50 0 HKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025760 558846523 /nfs/dbraw/zinc/84/65/23/558846523.db2.gz PXMFJBDADTWTQT-UHFFFAOYSA-N 0 0 424.953 6.242 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccc(F)cc1 ZINC000033025763 558846632 /nfs/dbraw/zinc/84/66/32/558846632.db2.gz SVBXTWNQCMVUAW-UHFFFAOYSA-N 0 0 400.862 5.428 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025766 558846534 /nfs/dbraw/zinc/84/65/34/558846534.db2.gz BMEDASNSMYPRRO-UHFFFAOYSA-N 0 0 412.898 5.298 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033025775 558846756 /nfs/dbraw/zinc/84/67/56/558846756.db2.gz KEGARGTXDWRRCT-UHFFFAOYSA-N 0 0 410.926 5.906 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c(C)c1 ZINC000033025781 558846759 /nfs/dbraw/zinc/84/67/59/558846759.db2.gz VKRLIGBSPLIPOE-UHFFFAOYSA-N 0 0 410.926 5.906 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1C ZINC000033025782 558846738 /nfs/dbraw/zinc/84/67/38/558846738.db2.gz FPUAQRFZPCURDO-UHFFFAOYSA-N 0 0 410.926 5.906 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025784 558846726 /nfs/dbraw/zinc/84/67/26/558846726.db2.gz YDAGLVLRGAJYAW-UHFFFAOYSA-N 0 0 424.953 6.413 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025791 558846728 /nfs/dbraw/zinc/84/67/28/558846728.db2.gz INLLTJKFRVRTKC-UHFFFAOYSA-N 0 0 410.926 5.852 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1cccc(F)c1 ZINC000033025792 558846734 /nfs/dbraw/zinc/84/67/34/558846734.db2.gz ZFYLQMLOLSKWQY-UHFFFAOYSA-N 0 0 400.862 5.428 50 0 HKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033025798 558846730 /nfs/dbraw/zinc/84/67/30/558846730.db2.gz XNUDMWBYOZVSME-UHFFFAOYSA-N 0 0 414.889 5.737 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccc(F)c(F)c1 ZINC000033025800 558846768 /nfs/dbraw/zinc/84/67/68/558846768.db2.gz FIXPVUIYTXIJMQ-UHFFFAOYSA-N 0 0 418.852 5.567 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1C ZINC000033025801 558846771 /nfs/dbraw/zinc/84/67/71/558846771.db2.gz AROFKRORDNSYLF-UHFFFAOYSA-N 0 0 424.953 6.214 50 0 HKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033025805 558846763 /nfs/dbraw/zinc/84/67/63/558846763.db2.gz YKGOKFGHDHUXOV-UHFFFAOYSA-N 0 0 410.926 5.852 50 0 HKAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033025807 558846736 /nfs/dbraw/zinc/84/67/36/558846736.db2.gz UQXXKAMRWOECRE-UHFFFAOYSA-N 0 0 410.926 5.906 50 0 HKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025808 558846720 /nfs/dbraw/zinc/84/67/20/558846720.db2.gz NVZXNSRJFBDHGU-UHFFFAOYSA-N 0 0 408.498 5.727 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c(C)c1 ZINC000033025813 558846747 /nfs/dbraw/zinc/84/67/47/558846747.db2.gz JJZNYBDQVGLTNZ-UHFFFAOYSA-N 0 0 408.498 5.700 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)c(Cl)c1 ZINC000033025829 558846753 /nfs/dbraw/zinc/84/67/53/558846753.db2.gz VELIIGMEMMPEBQ-UHFFFAOYSA-N 0 0 418.852 5.567 50 0 HKAARN O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc2c(c1)CCCC2 ZINC000033025832 558846716 /nfs/dbraw/zinc/84/67/16/558846716.db2.gz VZYGWUDUKWVLKP-UHFFFAOYSA-N 0 0 420.509 5.654 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025836 558846714 /nfs/dbraw/zinc/84/67/14/558846714.db2.gz SNZIEPSBHQHEAH-UHFFFAOYSA-N 0 0 408.498 5.898 50 0 HKAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033025851 558846922 /nfs/dbraw/zinc/84/69/22/558846922.db2.gz FTMORVSYKIRAGW-UHFFFAOYSA-N 0 0 414.889 5.737 50 0 HKAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033025868 558846588 /nfs/dbraw/zinc/84/65/88/558846588.db2.gz IICLLHOGTMSKNU-UHFFFAOYSA-N 0 0 415.946 5.015 50 0 HKAARN CCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026804 558847962 /nfs/dbraw/zinc/84/79/62/558847962.db2.gz BVRCMPSNKCRWRJ-UHFFFAOYSA-N 0 0 423.476 5.280 50 0 HKAARN Cc1cccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)c1 ZINC000033027751 558851082 /nfs/dbraw/zinc/85/10/82/558851082.db2.gz SXGSGFITJMWVLT-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000033027753 558851067 /nfs/dbraw/zinc/85/10/67/558851067.db2.gz QONDWECORXHEMJ-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN O=C(Nc1ccccc1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027781 558851297 /nfs/dbraw/zinc/85/12/97/558851297.db2.gz HDYLCSBWJJOVQW-UHFFFAOYSA-N 0 0 419.912 5.425 50 0 HKAARN Cc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000033027799 558851330 /nfs/dbraw/zinc/85/13/30/558851330.db2.gz NACGYQHBLJHRRN-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000033034512 558858447 /nfs/dbraw/zinc/85/84/47/558858447.db2.gz NXLOVJNLPQURBR-UHFFFAOYSA-N 0 0 416.569 5.468 50 0 HKAARN CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034898 558858814 /nfs/dbraw/zinc/85/88/14/558858814.db2.gz GOGJCZOICLJNIP-XMMPIXPASA-N 0 0 418.581 5.331 50 0 HKAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034901 558858811 /nfs/dbraw/zinc/85/88/11/558858811.db2.gz GOGJCZOICLJNIP-DEOSSOPVSA-N 0 0 418.581 5.331 50 0 HKAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034903 558858866 /nfs/dbraw/zinc/85/88/66/558858866.db2.gz LXJOYWRIWVPCOO-XMMPIXPASA-N 0 0 418.581 5.467 50 0 HKAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCCC4)c3)C2)cc1 ZINC000033034906 558858820 /nfs/dbraw/zinc/85/88/20/558858820.db2.gz LXJOYWRIWVPCOO-DEOSSOPVSA-N 0 0 418.581 5.467 50 0 HKAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034974 558859526 /nfs/dbraw/zinc/85/95/26/558859526.db2.gz GPEXPKNZJLLUIU-HSZRJFAPSA-N 0 0 404.554 5.077 50 0 HKAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034976 558859553 /nfs/dbraw/zinc/85/95/53/558859553.db2.gz GPEXPKNZJLLUIU-QHCPKHFHSA-N 0 0 404.554 5.077 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033034986 558859562 /nfs/dbraw/zinc/85/95/62/558859562.db2.gz YXJITLCEQRGBIG-HSZRJFAPSA-N 0 0 404.554 5.159 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033034989 558859531 /nfs/dbraw/zinc/85/95/31/558859531.db2.gz YXJITLCEQRGBIG-QHCPKHFHSA-N 0 0 404.554 5.159 50 0 HKAARN CCCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(OCC)cc3)C2)c1 ZINC000033035208 558859403 /nfs/dbraw/zinc/85/94/03/558859403.db2.gz IMVDABMKCJIGNO-OAQYLSRUSA-N 0 0 423.557 5.027 50 0 HKAARN CCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(OCC)cc3)C2)c1 ZINC000033035210 558859369 /nfs/dbraw/zinc/85/93/69/558859369.db2.gz IMVDABMKCJIGNO-NRFANRHFSA-N 0 0 423.557 5.027 50 0 HKAARN CCCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035449 558859325 /nfs/dbraw/zinc/85/93/25/558859325.db2.gz WBQUACNWXVMFDF-LJQANCHMSA-N 0 0 413.949 5.281 50 0 HKAARN CCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035451 558859395 /nfs/dbraw/zinc/85/93/95/558859395.db2.gz WBQUACNWXVMFDF-IBGZPJMESA-N 0 0 413.949 5.281 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCC4)c3)C2)cc1 ZINC000033035542 558859578 /nfs/dbraw/zinc/85/95/78/558859578.db2.gz GHKOZAPTQNCRBD-JOCHJYFZSA-N 0 0 419.569 5.333 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCC4)c3)C2)cc1 ZINC000033035545 568510784 /nfs/dbraw/zinc/51/07/84/568510784.db2.gz GHKOZAPTQNCRBD-QFIPXVFZSA-N 0 0 419.569 5.333 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC(C)C)c3)C2)cc1 ZINC000033035572 558859722 /nfs/dbraw/zinc/85/97/22/558859722.db2.gz SRZWNERJHAUDFW-HSZRJFAPSA-N 0 0 421.585 5.436 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC(C)C)c3)C2)cc1 ZINC000033035574 558859738 /nfs/dbraw/zinc/85/97/38/558859738.db2.gz SRZWNERJHAUDFW-QHCPKHFHSA-N 0 0 421.585 5.436 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035676 558859680 /nfs/dbraw/zinc/85/96/80/558859680.db2.gz IGDPLLZZZLXHRS-JOCHJYFZSA-N 0 0 419.569 5.551 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035678 558859708 /nfs/dbraw/zinc/85/97/08/558859708.db2.gz IGDPLLZZZLXHRS-QFIPXVFZSA-N 0 0 419.569 5.551 50 0 HKAARN O=C(NCc1cccs1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035727 558859749 /nfs/dbraw/zinc/85/97/49/558859749.db2.gz DASFTSCQLQWJJY-HXUWFJFHSA-N 0 0 419.550 5.090 50 0 HKAARN O=C(NCc1cccs1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035729 558859742 /nfs/dbraw/zinc/85/97/42/558859742.db2.gz DASFTSCQLQWJJY-FQEVSTJZSA-N 0 0 419.550 5.090 50 0 HKAARN O=C(NC1CCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035754 558859719 /nfs/dbraw/zinc/85/97/19/558859719.db2.gz WIOMQOQDTUVSBM-OAQYLSRUSA-N 0 0 405.542 5.161 50 0 HKAARN O=C(NC1CCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035756 558859653 /nfs/dbraw/zinc/85/96/53/558859653.db2.gz WIOMQOQDTUVSBM-NRFANRHFSA-N 0 0 405.542 5.161 50 0 HKAARN CC(C)CC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1 ZINC000033036075 568510845 /nfs/dbraw/zinc/51/08/45/568510845.db2.gz MAWVQZQZIJZVQA-UHFFFAOYSA-N 0 0 418.925 5.255 50 0 HKAARN CC(C)(C)C(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1 ZINC000033036090 558860073 /nfs/dbraw/zinc/86/00/73/558860073.db2.gz NKGWWQFBHNOEQW-UHFFFAOYSA-N 0 0 418.925 5.255 50 0 HKAARN CCCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1 ZINC000033036108 558860161 /nfs/dbraw/zinc/86/01/61/558860161.db2.gz UVWGXGRCTOSLDU-UHFFFAOYSA-N 0 0 404.898 5.009 50 0 HKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)c2ccco2)cc1 ZINC000033036202 558860175 /nfs/dbraw/zinc/86/01/75/558860175.db2.gz VPKFMBQTEDZWET-UHFFFAOYSA-N 0 0 424.913 5.285 50 0 HKAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)C(C)(C)C)cc1 ZINC000033036227 558860174 /nfs/dbraw/zinc/86/01/74/558860174.db2.gz AJNHQOBPAKISID-UHFFFAOYSA-N 0 0 414.962 5.424 50 0 HKAARN CCCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000033036297 558860321 /nfs/dbraw/zinc/86/03/21/558860321.db2.gz YQBSQYXZIFIDBV-UHFFFAOYSA-N 0 0 421.353 5.523 50 0 HKAARN CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000033036299 558860258 /nfs/dbraw/zinc/86/02/58/558860258.db2.gz GNBZYVYUXQKBDY-UHFFFAOYSA-N 0 0 407.326 5.133 50 0 HKAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000033036303 558860272 /nfs/dbraw/zinc/86/02/72/558860272.db2.gz WBNIXRAWDHZEOC-UHFFFAOYSA-N 0 0 421.353 5.379 50 0 HKAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1)C1CC1 ZINC000033036305 558860242 /nfs/dbraw/zinc/86/02/42/558860242.db2.gz ZWVGQPSEZOYVAI-UHFFFAOYSA-N 0 0 419.337 5.133 50 0 HKAARN COc1cc(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000033036440 558860603 /nfs/dbraw/zinc/86/06/03/558860603.db2.gz ORFUELIYCKTHOE-UHFFFAOYSA-N 0 0 402.450 5.113 50 0 HKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1Br ZINC000033036498 558860634 /nfs/dbraw/zinc/86/06/34/558860634.db2.gz VSZBADJSEDOWQT-UHFFFAOYSA-N 0 0 409.258 5.989 50 0 HKAARN COc1ccc(CC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1OC ZINC000033036509 558860636 /nfs/dbraw/zinc/86/06/36/558860636.db2.gz XMNOMUTXRUOAGF-UHFFFAOYSA-N 0 0 404.441 5.172 50 0 HKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000033036527 558860437 /nfs/dbraw/zinc/86/04/37/558860437.db2.gz YZDUQXNMDTZFCD-UHFFFAOYSA-N 0 0 409.258 5.989 50 0 HKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1cccc(Br)c1 ZINC000033036547 558860492 /nfs/dbraw/zinc/86/04/92/558860492.db2.gz YWXSHGRVOVJZDT-UHFFFAOYSA-N 0 0 409.258 5.989 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033036577 558860452 /nfs/dbraw/zinc/86/04/52/558860452.db2.gz CCUHUQAUMCMUDE-UHFFFAOYSA-N 0 0 406.869 5.758 50 0 HKAARN COc1ccc(CC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1OC ZINC000033036579 558860499 /nfs/dbraw/zinc/86/04/99/558860499.db2.gz DZULFQJFZQANKV-UHFFFAOYSA-N 0 0 420.896 5.687 50 0 HKAARN COc1ccc(CCC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033036586 558860457 /nfs/dbraw/zinc/86/04/57/558860457.db2.gz LKHVQKDYDRUZQD-UHFFFAOYSA-N 0 0 404.897 6.068 50 0 HKAARN COc1ccc(OCC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033036632 558860494 /nfs/dbraw/zinc/86/04/94/558860494.db2.gz QVDPNXXRJVIBKT-UHFFFAOYSA-N 0 0 406.869 5.514 50 0 HKAARN Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036679 558860460 /nfs/dbraw/zinc/86/04/60/558860460.db2.gz IAAODIPHSFFVHZ-UHFFFAOYSA-N 0 0 420.556 6.305 50 0 HKAARN COc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)c(OC)c1 ZINC000033036726 558860470 /nfs/dbraw/zinc/86/04/70/558860470.db2.gz KSGASIIKRHPIGA-UHFFFAOYSA-N 0 0 412.489 5.157 50 0 HKAARN COc1ccc(OC)c(CNC(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)c1 ZINC000033036728 558860472 /nfs/dbraw/zinc/86/04/72/558860472.db2.gz QMFFQEQAJIHGLU-UHFFFAOYSA-N 0 0 412.489 5.157 50 0 HKAARN Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)c2cccc(-c3ccccc3)c2n1 ZINC000033036740 558860489 /nfs/dbraw/zinc/86/04/89/558860489.db2.gz QXVRIFBVULRCOY-UHFFFAOYSA-N 0 0 410.517 5.927 50 0 HKAARN CCCCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)cc1 ZINC000033036744 558860443 /nfs/dbraw/zinc/86/04/43/558860443.db2.gz FHLCFZFDEMHAKG-UHFFFAOYSA-N 0 0 424.544 6.319 50 0 HKAARN Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036768 558860662 /nfs/dbraw/zinc/86/06/62/558860662.db2.gz ZKQPMHFISVCWPY-UHFFFAOYSA-N 0 0 414.436 5.008 50 0 HKAARN COc1ccccc1CNC(=O)c1cc(C)nc2c(-c3ccc(F)cc3)cccc12 ZINC000033036792 558860627 /nfs/dbraw/zinc/86/06/27/558860627.db2.gz CIBMLGRAYSUEGC-UHFFFAOYSA-N 0 0 400.453 5.288 50 0 HKAARN COc1cccc(CNC(=O)c2cc(C)nc3c(-c4ccc(F)cc4)cccc23)c1 ZINC000033036793 568510776 /nfs/dbraw/zinc/51/07/76/568510776.db2.gz RPAULBFVJNQIIE-UHFFFAOYSA-N 0 0 400.453 5.288 50 0 HKAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(F)cc4)cccc23)cc1 ZINC000033036852 558860601 /nfs/dbraw/zinc/86/06/01/558860601.db2.gz KLKWQBHRCWTPAZ-UHFFFAOYSA-N 0 0 414.480 5.678 50 0 HKAARN COc1ccc(NC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)c(OC)c1 ZINC000033036872 524625500 /nfs/dbraw/zinc/62/55/00/524625500.db2.gz DXUKIIXZWZDASD-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN COc1cc(NC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)cc(OC)c1 ZINC000033036874 522721231 /nfs/dbraw/zinc/72/12/31/522721231.db2.gz KZENABDKMUSZFG-UHFFFAOYSA-N 0 0 412.489 5.788 50 0 HKAARN Cc1ccc(-c2cccc3c(C(=O)N4CCN(c5ccccc5)CC4)cc(C)nc23)cc1 ZINC000033036889 525756625 /nfs/dbraw/zinc/75/66/25/525756625.db2.gz DYFMQDVMEYVNJM-UHFFFAOYSA-N 0 0 421.544 5.481 50 0 HKAARN Cc1ccc(-c2cccc3c(C(=O)NCc4ccc5c(c4)OCO5)cc(C)nc23)cc1 ZINC000033036891 525757292 /nfs/dbraw/zinc/75/72/92/525757292.db2.gz IDWFXXWWUBPIFX-UHFFFAOYSA-N 0 0 410.473 5.177 50 0 HKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000033037060 558861214 /nfs/dbraw/zinc/86/12/14/558861214.db2.gz GRRKSDCKPLJFCD-UHFFFAOYSA-N 0 0 424.504 5.367 50 0 HKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000033037115 558860926 /nfs/dbraw/zinc/86/09/26/558860926.db2.gz ADRJHXNOYUCOBY-UHFFFAOYSA-N 0 0 424.504 5.367 50 0 HKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000033037126 558860971 /nfs/dbraw/zinc/86/09/71/558860971.db2.gz AFFNPBURBSAFNG-UHFFFAOYSA-N 0 0 424.504 5.367 50 0 HKAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000033037134 558861658 /nfs/dbraw/zinc/86/16/58/558861658.db2.gz BGXVNBNHAMTIHP-UHFFFAOYSA-N 0 0 410.477 5.058 50 0 HKAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000033037233 558861494 /nfs/dbraw/zinc/86/14/94/558861494.db2.gz GMFWEVNNWRGHAG-UHFFFAOYSA-N 0 0 424.504 5.367 50 0 HKAARN COc1cccc(Cc2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1 ZINC000033037422 558862120 /nfs/dbraw/zinc/86/21/20/558862120.db2.gz YBNDACVKLYJRNV-UHFFFAOYSA-N 0 0 402.479 5.045 50 0 HKAARN COc1ccc(Cc2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc1 ZINC000033037424 558862119 /nfs/dbraw/zinc/86/21/19/558862119.db2.gz IKOZYINXBLUSKI-UHFFFAOYSA-N 0 0 402.479 5.045 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(COc4ccc(F)cc4)n3)cc12 ZINC000033037439 558862010 /nfs/dbraw/zinc/86/20/10/558862010.db2.gz XXUZJPVSSFIIDL-UHFFFAOYSA-N 0 0 406.442 5.164 50 0 HKAARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038174 558862629 /nfs/dbraw/zinc/86/26/29/558862629.db2.gz GYPSMBXDYDBLPU-UHFFFAOYSA-N 0 0 412.493 5.029 50 0 HKAARN Cc1ccccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038176 558862760 /nfs/dbraw/zinc/86/27/60/558862760.db2.gz DQTXWEZPZSPXTO-UHFFFAOYSA-N 0 0 412.493 5.029 50 0 HKAARN Cc1cccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038199 558862796 /nfs/dbraw/zinc/86/27/96/558862796.db2.gz GECWAJLQKLFGKF-UHFFFAOYSA-N 0 0 412.493 5.029 50 0 HKAARN Cc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2ccccc2)cc1Cl ZINC000033039738 558868868 /nfs/dbraw/zinc/86/88/68/558868868.db2.gz DLEUBTQGEYSZSJ-NRFANRHFSA-N 0 0 417.940 6.094 50 0 HKAARN Cc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2ccccc2)cc1Cl ZINC000033039739 558868854 /nfs/dbraw/zinc/86/88/54/558868854.db2.gz DLEUBTQGEYSZSJ-OAQYLSRUSA-N 0 0 417.940 6.094 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1cn(C)c2ccccc12)c1ccccc1 ZINC000033039740 558868839 /nfs/dbraw/zinc/86/88/39/558868839.db2.gz DCJWYIQHMWSSKE-NRFANRHFSA-N 0 0 417.940 6.094 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1ccccc1 ZINC000033039741 558868776 /nfs/dbraw/zinc/86/87/76/558868776.db2.gz DCJWYIQHMWSSKE-OAQYLSRUSA-N 0 0 417.940 6.094 50 0 HKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nccn(-c3cccc4ccccc43)c2=O)cc1C ZINC000033039865 558869037 /nfs/dbraw/zinc/86/90/37/558869037.db2.gz FLQAHWZLJDRPNX-GOSISDBHSA-N 0 0 414.530 5.366 50 0 HKAARN Cc1ccc(C(=O)[C@H](C)Sc2nccn(-c3cccc4ccccc43)c2=O)cc1C ZINC000033039866 558869008 /nfs/dbraw/zinc/86/90/08/558869008.db2.gz FLQAHWZLJDRPNX-SFHVURJKSA-N 0 0 414.530 5.366 50 0 HKAARN C[C@@H]1CCCCN1C(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000033040005 558869003 /nfs/dbraw/zinc/86/90/03/558869003.db2.gz ACXMBZHEVOCXCJ-LJQANCHMSA-N 0 0 405.542 5.005 50 0 HKAARN C[C@H]1CCCCN1C(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000033040006 558868979 /nfs/dbraw/zinc/86/89/79/558868979.db2.gz ACXMBZHEVOCXCJ-IBGZPJMESA-N 0 0 405.542 5.005 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1OC ZINC000033040011 558869158 /nfs/dbraw/zinc/86/91/58/558869158.db2.gz BKOQLADLKAEXAE-UHFFFAOYSA-N 0 0 414.939 6.271 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1OC ZINC000033040013 558869193 /nfs/dbraw/zinc/86/91/93/558869193.db2.gz REEYYDLPJHRVPH-UHFFFAOYSA-N 0 0 414.939 6.271 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1OC ZINC000033040015 558869226 /nfs/dbraw/zinc/86/92/26/558869226.db2.gz XFOVIBKXULVLNI-UHFFFAOYSA-N 0 0 424.503 5.347 50 0 HKAARN COc1cccc(-c2csc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)n2)c1 ZINC000033040016 558869172 /nfs/dbraw/zinc/86/91/72/558869172.db2.gz RQYPXDREJUAJAC-UHFFFAOYSA-N 0 0 410.520 5.626 50 0 HKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000033040017 558869180 /nfs/dbraw/zinc/86/91/80/558869180.db2.gz BOKFVYPZLAGZTQ-UHFFFAOYSA-N 0 0 424.547 6.017 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000033040018 558869184 /nfs/dbraw/zinc/86/91/84/558869184.db2.gz QDEUSQJSEWMORR-UHFFFAOYSA-N 0 0 410.520 5.626 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)c(C)s3)n2)cc1OC ZINC000033040023 558869250 /nfs/dbraw/zinc/86/92/50/558869250.db2.gz DXPJGJCXNGKXCI-UHFFFAOYSA-N 0 0 408.548 6.235 50 0 HKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1OC ZINC000033040027 558869207 /nfs/dbraw/zinc/86/92/07/558869207.db2.gz XWWONDNRAPGYOV-UHFFFAOYSA-N 0 0 408.548 6.235 50 0 HKAARN CCCCc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1 ZINC000033040031 558869254 /nfs/dbraw/zinc/86/92/54/558869254.db2.gz RBXRURVVTXEUKK-UHFFFAOYSA-N 0 0 404.604 7.560 50 0 HKAARN CCCCOc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1 ZINC000033040034 558869238 /nfs/dbraw/zinc/86/92/38/558869238.db2.gz XYJMAIHJTMXYSX-UHFFFAOYSA-N 0 0 420.603 7.396 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccs1)CCCC3 ZINC000033042761 558873740 /nfs/dbraw/zinc/87/37/40/558873740.db2.gz QZSKJGUJYYWQFL-HXUWFJFHSA-N 0 0 411.596 5.502 50 0 HKAARN CC(C)NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccs1)CCCC3 ZINC000033042763 558873843 /nfs/dbraw/zinc/87/38/43/558873843.db2.gz QZSKJGUJYYWQFL-FQEVSTJZSA-N 0 0 411.596 5.502 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)cc1 ZINC000033042792 568510794 /nfs/dbraw/zinc/51/07/94/568510794.db2.gz XTRBXTBIMKDXQC-QHCPKHFHSA-N 0 0 419.594 6.471 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)cc1 ZINC000033042794 558873683 /nfs/dbraw/zinc/87/36/83/558873683.db2.gz XTRBXTBIMKDXQC-HSZRJFAPSA-N 0 0 419.594 6.471 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C(C)C)CCCC4)c1 ZINC000033042809 558873764 /nfs/dbraw/zinc/87/37/64/558873764.db2.gz DLINQCPRZOLDJS-QHCPKHFHSA-N 0 0 419.594 6.471 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C(C)C)CCCC4)c1 ZINC000033042810 558874081 /nfs/dbraw/zinc/87/40/81/558874081.db2.gz DLINQCPRZOLDJS-HSZRJFAPSA-N 0 0 419.594 6.471 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2CC)CCCC4)cc1 ZINC000033042849 558874086 /nfs/dbraw/zinc/87/40/86/558874086.db2.gz FFYIMRFRLYRACY-NRFANRHFSA-N 0 0 419.594 6.479 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2CC)CCCC4)cc1 ZINC000033042851 558874009 /nfs/dbraw/zinc/87/40/09/558874009.db2.gz FFYIMRFRLYRACY-OAQYLSRUSA-N 0 0 419.594 6.479 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C)c1C)CCCC3 ZINC000033042856 558874021 /nfs/dbraw/zinc/87/40/21/558874021.db2.gz NQSAUWWGMLFICB-NRFANRHFSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C)c1C)CCCC3 ZINC000033042858 558874067 /nfs/dbraw/zinc/87/40/67/558874067.db2.gz NQSAUWWGMLFICB-OAQYLSRUSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(C)c1)CCCC3 ZINC000033042860 558874070 /nfs/dbraw/zinc/87/40/70/558874070.db2.gz IFODASTXTWEFOB-NRFANRHFSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(C)c1)CCCC3 ZINC000033042861 568510769 /nfs/dbraw/zinc/51/07/69/568510769.db2.gz IFODASTXTWEFOB-OAQYLSRUSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)ccc1C)CCCC3 ZINC000033042863 558874036 /nfs/dbraw/zinc/87/40/36/558874036.db2.gz SEFPOMIQAUSKMM-NRFANRHFSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)ccc1C)CCCC3 ZINC000033042865 558874024 /nfs/dbraw/zinc/87/40/24/558874024.db2.gz SEFPOMIQAUSKMM-OAQYLSRUSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)cc(C)c1)CCCC3 ZINC000033042867 558874049 /nfs/dbraw/zinc/87/40/49/558874049.db2.gz BCBQTRWHKIWYHI-NRFANRHFSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)cc(C)c1)CCCC3 ZINC000033042869 558874061 /nfs/dbraw/zinc/87/40/61/558874061.db2.gz BCBQTRWHKIWYHI-OAQYLSRUSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)cc1)CCCC3 ZINC000033042870 558874000 /nfs/dbraw/zinc/87/40/00/558874000.db2.gz GRRCVDDDFVVBKP-FQEVSTJZSA-N 0 0 405.567 6.225 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)cc1)CCCC3 ZINC000033042872 558874084 /nfs/dbraw/zinc/87/40/84/558874084.db2.gz GRRCVDDDFVVBKP-HXUWFJFHSA-N 0 0 405.567 6.225 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1CC)CCCC3 ZINC000033042894 558873967 /nfs/dbraw/zinc/87/39/67/558873967.db2.gz VKDRAYZZYLYXQP-NRFANRHFSA-N 0 0 419.594 6.479 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1CC)CCCC3 ZINC000033042896 558874301 /nfs/dbraw/zinc/87/43/01/558874301.db2.gz VKDRAYZZYLYXQP-OAQYLSRUSA-N 0 0 419.594 6.479 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)cc1C)CCCC3 ZINC000033042898 558874272 /nfs/dbraw/zinc/87/42/72/558874272.db2.gz RKDVWIPMEWMKBD-NRFANRHFSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)cc1C)CCCC3 ZINC000033042900 558874131 /nfs/dbraw/zinc/87/41/31/558874131.db2.gz RKDVWIPMEWMKBD-OAQYLSRUSA-N 0 0 419.594 6.533 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000033042909 558874232 /nfs/dbraw/zinc/87/42/32/558874232.db2.gz OILVKLCYLNYOLT-IBGZPJMESA-N 0 0 409.530 6.056 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000033042911 558874198 /nfs/dbraw/zinc/87/41/98/558874198.db2.gz OILVKLCYLNYOLT-LJQANCHMSA-N 0 0 409.530 6.056 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(F)c1)CCCC3 ZINC000033042913 558874166 /nfs/dbraw/zinc/87/41/66/558874166.db2.gz WGEXTOUKCWUTNC-FQEVSTJZSA-N 0 0 423.557 6.364 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(C)c(F)c1)CCCC3 ZINC000033042915 558874230 /nfs/dbraw/zinc/87/42/30/558874230.db2.gz WGEXTOUKCWUTNC-HXUWFJFHSA-N 0 0 423.557 6.364 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(C)cc1)CCCC3 ZINC000033042934 558874323 /nfs/dbraw/zinc/87/43/23/558874323.db2.gz JRGVNEKOMLOGND-NRFANRHFSA-N 0 0 419.594 5.903 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(C)cc1)CCCC3 ZINC000033042936 558874425 /nfs/dbraw/zinc/87/44/25/558874425.db2.gz JRGVNEKOMLOGND-OAQYLSRUSA-N 0 0 419.594 5.903 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033042942 558874787 /nfs/dbraw/zinc/87/47/87/558874787.db2.gz VJCNNVGJADSOBT-FQEVSTJZSA-N 0 0 423.557 5.733 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033042944 558874818 /nfs/dbraw/zinc/87/48/18/558874818.db2.gz VJCNNVGJADSOBT-HXUWFJFHSA-N 0 0 423.557 5.733 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000033042945 558874744 /nfs/dbraw/zinc/87/47/44/558874744.db2.gz WNAGERKAIGFBPV-AWEZNQCLSA-N 0 0 411.958 6.180 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000033042947 558873869 /nfs/dbraw/zinc/87/38/69/558873869.db2.gz WNAGERKAIGFBPV-CQSZACIVSA-N 0 0 411.958 6.180 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000033042948 558874073 /nfs/dbraw/zinc/87/40/73/558874073.db2.gz CZQJWKSAFWASNU-AWEZNQCLSA-N 0 0 411.958 6.180 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CCCC3 ZINC000033042950 558873990 /nfs/dbraw/zinc/87/39/90/558873990.db2.gz CZQJWKSAFWASNU-CQSZACIVSA-N 0 0 411.958 6.180 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1 ZINC000033042952 558874040 /nfs/dbraw/zinc/87/40/40/558874040.db2.gz IRROFYXHISZBAG-INIZCTEOSA-N 0 0 405.567 6.089 50 0 HKAARN CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1 ZINC000033042954 558873268 /nfs/dbraw/zinc/87/32/68/558873268.db2.gz IRROFYXHISZBAG-MRXNPFEDSA-N 0 0 405.567 6.089 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042955 558873249 /nfs/dbraw/zinc/87/32/49/558873249.db2.gz XTODQAOKMCGIPV-AWEZNQCLSA-N 0 0 411.958 6.180 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000033042957 558873417 /nfs/dbraw/zinc/87/34/17/558873417.db2.gz XTODQAOKMCGIPV-CQSZACIVSA-N 0 0 411.958 6.180 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1C ZINC000033042959 558875331 /nfs/dbraw/zinc/87/53/31/558875331.db2.gz HMUUFWFYPFOQQE-KRWDZBQOSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1C ZINC000033042960 558875493 /nfs/dbraw/zinc/87/54/93/558875493.db2.gz HMUUFWFYPFOQQE-QGZVFWFLSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1C ZINC000033042966 558876039 /nfs/dbraw/zinc/87/60/39/558876039.db2.gz KBXZPSGEHPSCLJ-KRWDZBQOSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1C ZINC000033042968 558875987 /nfs/dbraw/zinc/87/59/87/558875987.db2.gz KBXZPSGEHPSCLJ-QGZVFWFLSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033042970 558875981 /nfs/dbraw/zinc/87/59/81/558875981.db2.gz PAFIKPMXHNJGQZ-KRWDZBQOSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033042972 558876012 /nfs/dbraw/zinc/87/60/12/558876012.db2.gz PAFIKPMXHNJGQZ-QGZVFWFLSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033042974 558876013 /nfs/dbraw/zinc/87/60/13/558876013.db2.gz QHCOLUONJYDTHF-KRWDZBQOSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033042975 558875998 /nfs/dbraw/zinc/87/59/98/558875998.db2.gz QHCOLUONJYDTHF-QGZVFWFLSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c(C)c1 ZINC000033043006 558876555 /nfs/dbraw/zinc/87/65/55/558876555.db2.gz OFJBBLRJFSIEBK-KRWDZBQOSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c(C)c1 ZINC000033043008 558876485 /nfs/dbraw/zinc/87/64/85/558876485.db2.gz OFJBBLRJFSIEBK-QGZVFWFLSA-N 0 0 405.567 6.143 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1F ZINC000033043019 568510778 /nfs/dbraw/zinc/51/07/78/568510778.db2.gz GACHHQMDKDYTRH-HNNXBMFYSA-N 0 0 409.530 5.974 50 0 HKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1F ZINC000033043021 558874993 /nfs/dbraw/zinc/87/49/93/558874993.db2.gz GACHHQMDKDYTRH-OAHLLOKOSA-N 0 0 409.530 5.974 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000033043023 558875017 /nfs/dbraw/zinc/87/50/17/558875017.db2.gz XUFJPSDHPOHTNU-ZDUSSCGKSA-N 0 0 413.493 5.805 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(F)ccc1F)CCCC3 ZINC000033043024 558876005 /nfs/dbraw/zinc/87/60/05/558876005.db2.gz XUFJPSDHPOHTNU-CYBMUJFWSA-N 0 0 413.493 5.805 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033043033 558877806 /nfs/dbraw/zinc/87/78/06/558877806.db2.gz XFCKPKQWGDKLQJ-ZDUSSCGKSA-N 0 0 413.493 5.805 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1F)CCCC3 ZINC000033043035 558877875 /nfs/dbraw/zinc/87/78/75/558877875.db2.gz XFCKPKQWGDKLQJ-CYBMUJFWSA-N 0 0 413.493 5.805 50 0 HKAARN CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033043036 558877798 /nfs/dbraw/zinc/87/77/98/558877798.db2.gz AGNBWNCUSKZJBB-HNNXBMFYSA-N 0 0 423.607 6.248 50 0 HKAARN CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033043039 558877856 /nfs/dbraw/zinc/87/78/56/558877856.db2.gz AGNBWNCUSKZJBB-OAHLLOKOSA-N 0 0 423.607 6.248 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1 ZINC000033043049 558877760 /nfs/dbraw/zinc/87/77/60/558877760.db2.gz YOFYYYFVOAJQLI-KRWDZBQOSA-N 0 0 405.567 5.512 50 0 HKAARN Cc1ccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1 ZINC000033043051 558877860 /nfs/dbraw/zinc/87/78/60/558877860.db2.gz YOFYYYFVOAJQLI-QGZVFWFLSA-N 0 0 405.567 5.512 50 0 HKAARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)c1 ZINC000033043056 558877834 /nfs/dbraw/zinc/87/78/34/558877834.db2.gz AYQQBWOETPTYMX-INIZCTEOSA-N 0 0 421.566 5.213 50 0 HKAARN COc1cccc(CNC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)c1 ZINC000033043058 558877802 /nfs/dbraw/zinc/87/78/02/558877802.db2.gz AYQQBWOETPTYMX-MRXNPFEDSA-N 0 0 421.566 5.213 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033043060 558877795 /nfs/dbraw/zinc/87/77/95/558877795.db2.gz PUWRUEPFUFZKFF-HNNXBMFYSA-N 0 0 409.530 5.343 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccc(F)cc1)CCCC3 ZINC000033043062 558877835 /nfs/dbraw/zinc/87/78/35/558877835.db2.gz PUWRUEPFUFZKFF-OAHLLOKOSA-N 0 0 409.530 5.343 50 0 HKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000033048152 558884304 /nfs/dbraw/zinc/88/43/04/558884304.db2.gz NQKNCORECITORW-UHFFFAOYSA-N 0 0 420.516 5.987 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccccc1Cl ZINC000033048628 558760250 /nfs/dbraw/zinc/76/02/50/558760250.db2.gz AZYNLHUCHVSTPE-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccccc1Cl ZINC000033048629 558760199 /nfs/dbraw/zinc/76/01/99/558760199.db2.gz AZYNLHUCHVSTPE-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000033048636 558760175 /nfs/dbraw/zinc/76/01/75/558760175.db2.gz ZLSMBUICRWKXQP-LJQANCHMSA-N 0 0 407.832 5.049 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000033048637 558760201 /nfs/dbraw/zinc/76/02/01/558760201.db2.gz ZLSMBUICRWKXQP-IBGZPJMESA-N 0 0 407.832 5.049 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccc(F)cc3)cc1CC2 ZINC000033048989 558886466 /nfs/dbraw/zinc/88/64/66/558886466.db2.gz VQYFNAPOHRDUOU-UHFFFAOYSA-N 0 0 417.509 5.077 50 0 HKAARN CCc1ccc(NC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1 ZINC000033049000 558886446 /nfs/dbraw/zinc/88/64/46/558886446.db2.gz JFEWBHWTORRHSN-UHFFFAOYSA-N 0 0 413.546 5.823 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccc(C)cc3)cc1CC2 ZINC000033049011 558886449 /nfs/dbraw/zinc/88/64/49/558886449.db2.gz DHDHTWHWTKTEFK-UHFFFAOYSA-N 0 0 413.546 5.246 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCc4ccccc43)cc1CC2 ZINC000033049014 558886396 /nfs/dbraw/zinc/88/63/96/558886396.db2.gz RCLHZAGRJFGJIA-UHFFFAOYSA-N 0 0 411.530 5.211 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N[C@H](C)c3ccccc3)cc1CC2 ZINC000033049021 558886452 /nfs/dbraw/zinc/88/64/52/558886452.db2.gz NORAOTZLPMTTGR-MRXNPFEDSA-N 0 0 413.546 5.499 50 0 HKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N[C@@H](C)c3ccccc3)cc1CC2 ZINC000033049022 558886390 /nfs/dbraw/zinc/88/63/90/558886390.db2.gz NORAOTZLPMTTGR-INIZCTEOSA-N 0 0 413.546 5.499 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1cccc(Cl)c1)NCc1ccccc1 ZINC000033050301 527063596 /nfs/dbraw/zinc/06/35/96/527063596.db2.gz RZTLUIZAXGWCQE-UHFFFAOYSA-N 0 0 421.953 5.147 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)cc1 ZINC000033050345 524771024 /nfs/dbraw/zinc/77/10/24/524771024.db2.gz GZKBBVWXYWGLDU-UHFFFAOYSA-N 0 0 401.535 5.148 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033050377 523840236 /nfs/dbraw/zinc/84/02/36/523840236.db2.gz AIMQCPUGNNCWBX-UHFFFAOYSA-N 0 0 421.953 5.493 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1 ZINC000033050379 523839789 /nfs/dbraw/zinc/83/97/89/523839789.db2.gz LAHAESMGHURJHK-UHFFFAOYSA-N 0 0 421.953 5.493 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000033050381 523840032 /nfs/dbraw/zinc/84/00/32/523840032.db2.gz WDBBNPGIXDHWOY-UHFFFAOYSA-N 0 0 421.953 5.493 50 0 HKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccccc1 ZINC000033050406 519920867 /nfs/dbraw/zinc/92/08/67/519920867.db2.gz IQJLLTHCBPPODK-UHFFFAOYSA-N 0 0 415.562 5.538 50 0 HKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000033050408 519920513 /nfs/dbraw/zinc/92/05/13/519920513.db2.gz VGYDGTOPYOHLOL-UHFFFAOYSA-N 0 0 419.525 5.369 50 0 HKAARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000033050425 519920818 /nfs/dbraw/zinc/92/08/18/519920818.db2.gz KDWBWPVELBEKOO-UHFFFAOYSA-N 0 0 401.535 5.230 50 0 HKAARN Cc1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000033050464 524770638 /nfs/dbraw/zinc/77/06/38/524770638.db2.gz TXHXSXVGCAJKHO-UHFFFAOYSA-N 0 0 419.525 5.287 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1F)c1ccc(F)cc1 ZINC000033050466 523840589 /nfs/dbraw/zinc/84/05/89/523840589.db2.gz RFKDDWXYPKHHIO-UHFFFAOYSA-N 0 0 423.488 5.118 50 0 HKAARN CN(C(=O)CSc1nc2ccccc2n1Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000033050480 523839632 /nfs/dbraw/zinc/83/96/32/523839632.db2.gz PYZCFXXRXQQQCU-UHFFFAOYSA-N 0 0 423.488 5.118 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 ZINC000033050550 525079593 /nfs/dbraw/zinc/07/95/93/525079593.db2.gz VXLSKZFGWPKFLZ-UHFFFAOYSA-N 0 0 415.562 5.741 50 0 HKAARN COc1ccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000033050555 524258197 /nfs/dbraw/zinc/25/81/97/524258197.db2.gz ZTIIHLJTPHRLNO-UHFFFAOYSA-N 0 0 417.534 5.132 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000033050578 525080024 /nfs/dbraw/zinc/08/00/24/525080024.db2.gz SCBCOWXTXSPZIP-UHFFFAOYSA-N 0 0 421.953 5.777 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000033050580 525079820 /nfs/dbraw/zinc/07/98/20/525079820.db2.gz HSSYHGCVOLVHIF-UHFFFAOYSA-N 0 0 421.953 5.777 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)cc1C ZINC000033050687 525080471 /nfs/dbraw/zinc/08/04/71/525080471.db2.gz YZZPQUQXENIHMK-UHFFFAOYSA-N 0 0 419.525 5.571 50 0 HKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1C ZINC000033050717 525080051 /nfs/dbraw/zinc/08/00/51/525080051.db2.gz GFUOHSIVKOCAMF-UHFFFAOYSA-N 0 0 401.535 5.432 50 0 HKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)Nc1ccc(F)cc1 ZINC000033050769 527063897 /nfs/dbraw/zinc/06/38/97/527063897.db2.gz SNDILTSBJXSXJN-UHFFFAOYSA-N 0 0 409.461 5.094 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000033050783 524111408 /nfs/dbraw/zinc/11/14/08/524111408.db2.gz ZEICRSGWJOKNLC-UHFFFAOYSA-N 0 0 419.525 5.571 50 0 HKAARN C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000033052738 525307000 /nfs/dbraw/zinc/30/70/00/525307000.db2.gz JVTRZBKKJVYCBE-IHAPDJFTSA-N 0 0 411.549 5.632 50 0 HKAARN C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000033052740 558938060 /nfs/dbraw/zinc/93/80/60/558938060.db2.gz JVTRZBKKJVYCBE-AWYKWWOESA-N 0 0 411.549 5.632 50 0 HKAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052751 558938072 /nfs/dbraw/zinc/93/80/72/558938072.db2.gz SWKUWOHJHBCDLC-UHFFFAOYSA-N 0 0 411.549 5.633 50 0 HKAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c(C)c1 ZINC000033052769 558938010 /nfs/dbraw/zinc/93/80/10/558938010.db2.gz JYIPUBSZRHQSRC-UHFFFAOYSA-N 0 0 410.521 5.704 50 0 HKAARN O=c1/c(=C\c2ccccc2Sc2ccc(Cl)cc2)sc2nc3ccccc3n12 ZINC000033055325 558942142 /nfs/dbraw/zinc/94/21/42/558942142.db2.gz VBKQAOBVPJVOPH-DEDYPNTBSA-N 0 0 420.946 5.262 50 0 HKAARN O=C(c1sc2ncccc2c1-n1cccc1)N1CCC(Cc2ccccc2)CC1 ZINC000033059815 558954023 /nfs/dbraw/zinc/95/40/23/558954023.db2.gz DWZXFCLMFYSKKB-UHFFFAOYSA-N 0 0 401.535 5.182 50 0 HKAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1sc2ncccc2c1-n1cccc1 ZINC000033059841 558954007 /nfs/dbraw/zinc/95/40/07/558954007.db2.gz NDGAKRIKJGDSFQ-UHFFFAOYSA-N 0 0 420.925 5.194 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000033059903 558953977 /nfs/dbraw/zinc/95/39/77/558953977.db2.gz BUXSYYZVKJQSJS-UHFFFAOYSA-N 0 0 409.942 5.330 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000033059939 558954159 /nfs/dbraw/zinc/95/41/59/558954159.db2.gz MNAFJTPYPKDWCY-HXUWFJFHSA-N 0 0 401.535 5.511 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000033059940 558954143 /nfs/dbraw/zinc/95/41/43/558954143.db2.gz MNAFJTPYPKDWCY-FQEVSTJZSA-N 0 0 401.535 5.511 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000033059943 558954168 /nfs/dbraw/zinc/95/41/68/558954168.db2.gz BTLQOPYCAINQBL-UHFFFAOYSA-N 0 0 414.534 5.158 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000033059952 558954192 /nfs/dbraw/zinc/95/41/92/558954192.db2.gz HPABVAQUALVNSX-INIZCTEOSA-N 0 0 403.551 5.455 50 0 HKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000033059953 558954247 /nfs/dbraw/zinc/95/42/47/558954247.db2.gz HPABVAQUALVNSX-MRXNPFEDSA-N 0 0 403.551 5.455 50 0 HKAARN CCC[C@@H](NC(=O)c1sc2ncccc2c1-n1c(C)ccc1C)c1cccs1 ZINC000033059962 558954253 /nfs/dbraw/zinc/95/42/53/558954253.db2.gz VUQNYQYBCFGTIB-QGZVFWFLSA-N 0 0 409.580 6.037 50 0 HKAARN CCC[C@H](NC(=O)c1sc2ncccc2c1-n1c(C)ccc1C)c1cccs1 ZINC000033059963 558954140 /nfs/dbraw/zinc/95/41/40/558954140.db2.gz VUQNYQYBCFGTIB-KRWDZBQOSA-N 0 0 409.580 6.037 50 0 HKAARN CCOc1ccccc1CNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059978 558954186 /nfs/dbraw/zinc/95/41/86/558954186.db2.gz DUQCACYCUNYAJW-UHFFFAOYSA-N 0 0 405.523 5.033 50 0 HKAARN CSc1ccc(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)cc1 ZINC000033059987 558954180 /nfs/dbraw/zinc/95/41/80/558954180.db2.gz VWTJJQDFJPJEFW-UHFFFAOYSA-N 0 0 407.564 5.356 50 0 HKAARN CCOc1ccc(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)cc1 ZINC000033059990 558954134 /nfs/dbraw/zinc/95/41/34/558954134.db2.gz IAHNDVZGPIWKIV-UHFFFAOYSA-N 0 0 405.523 5.033 50 0 HKAARN CSc1ccc(CCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)cc1 ZINC000033059998 558954257 /nfs/dbraw/zinc/95/42/57/558954257.db2.gz OCAHJXJLRIWRAD-UHFFFAOYSA-N 0 0 421.591 5.398 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000033062212 558955821 /nfs/dbraw/zinc/95/58/21/558955821.db2.gz DKIKELJZTKBWRX-KRWDZBQOSA-N 0 0 424.426 5.535 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000033062214 558956008 /nfs/dbraw/zinc/95/60/08/558956008.db2.gz DKIKELJZTKBWRX-QGZVFWFLSA-N 0 0 424.426 5.535 50 0 HKAARN CSc1cccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)c1 ZINC000033062231 558956012 /nfs/dbraw/zinc/95/60/12/558956012.db2.gz UHJUJELCXGKXGN-FQEVSTJZSA-N 0 0 402.523 5.238 50 0 HKAARN CSc1cccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)c1 ZINC000033062233 558956076 /nfs/dbraw/zinc/95/60/76/558956076.db2.gz UHJUJELCXGKXGN-HXUWFJFHSA-N 0 0 402.523 5.238 50 0 HKAARN COc1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062239 558956035 /nfs/dbraw/zinc/95/60/35/558956035.db2.gz ZIWQZSCRIJFVBB-IBGZPJMESA-N 0 0 403.457 5.269 50 0 HKAARN COc1ccccc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062241 558956041 /nfs/dbraw/zinc/95/60/41/558956041.db2.gz ZIWQZSCRIJFVBB-LJQANCHMSA-N 0 0 403.457 5.269 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000033062246 558956073 /nfs/dbraw/zinc/95/60/73/558956073.db2.gz BQNUFKYLXRZVMT-HXUWFJFHSA-N 0 0 407.876 5.914 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000033062248 558956029 /nfs/dbraw/zinc/95/60/29/558956029.db2.gz BQNUFKYLXRZVMT-FQEVSTJZSA-N 0 0 407.876 5.914 50 0 HKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062261 558956039 /nfs/dbraw/zinc/95/60/39/558956039.db2.gz UPFWKSBAPOVUGD-NRFANRHFSA-N 0 0 403.457 5.269 50 0 HKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062263 558956071 /nfs/dbraw/zinc/95/60/71/558956071.db2.gz UPFWKSBAPOVUGD-OAQYLSRUSA-N 0 0 403.457 5.269 50 0 HKAARN CCOc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062269 558956056 /nfs/dbraw/zinc/95/60/56/558956056.db2.gz BUPVEVRMAQAJGQ-QFIPXVFZSA-N 0 0 417.484 5.659 50 0 HKAARN CCOc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062271 558956077 /nfs/dbraw/zinc/95/60/77/558956077.db2.gz BUPVEVRMAQAJGQ-JOCHJYFZSA-N 0 0 417.484 5.659 50 0 HKAARN Cc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1F ZINC000033062277 558956010 /nfs/dbraw/zinc/95/60/10/558956010.db2.gz PZMYQRKQBZRDSW-FQEVSTJZSA-N 0 0 405.448 5.708 50 0 HKAARN Cc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1F ZINC000033062279 558956047 /nfs/dbraw/zinc/95/60/47/558956047.db2.gz PZMYQRKQBZRDSW-HXUWFJFHSA-N 0 0 405.448 5.708 50 0 HKAARN COc1ccc(C)cc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062290 558956066 /nfs/dbraw/zinc/95/60/66/558956066.db2.gz BDQARLHETFPPET-FQEVSTJZSA-N 0 0 417.484 5.578 50 0 HKAARN COc1ccc(C)cc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062292 558956058 /nfs/dbraw/zinc/95/60/58/558956058.db2.gz BDQARLHETFPPET-HXUWFJFHSA-N 0 0 417.484 5.578 50 0 HKAARN CSc1cccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000033062462 558956015 /nfs/dbraw/zinc/95/60/15/558956015.db2.gz IEMKCFHFDNOHIF-NRFANRHFSA-N 0 0 401.535 5.843 50 0 HKAARN CSc1cccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000033062464 558956037 /nfs/dbraw/zinc/95/60/37/558956037.db2.gz IEMKCFHFDNOHIF-OAQYLSRUSA-N 0 0 401.535 5.843 50 0 HKAARN CSc1cccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033062500 558956065 /nfs/dbraw/zinc/95/60/65/558956065.db2.gz INURRTMFBAMWPV-NRFANRHFSA-N 0 0 416.550 5.249 50 0 HKAARN CSc1cccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033062502 558956032 /nfs/dbraw/zinc/95/60/32/558956032.db2.gz INURRTMFBAMWPV-OAQYLSRUSA-N 0 0 416.550 5.249 50 0 HKAARN Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 ZINC000033063691 558956788 /nfs/dbraw/zinc/95/67/88/558956788.db2.gz FZELITHXYRRDOE-UHFFFAOYSA-N 0 0 420.456 5.036 50 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CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)s1 ZINC000033078466 558867955 /nfs/dbraw/zinc/86/79/55/558867955.db2.gz PGWNVEVKIXAHMG-AWEZNQCLSA-N 0 0 414.962 5.071 50 0 HKAARN COc1ccc(NC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)cc1 ZINC000033078851 558868150 /nfs/dbraw/zinc/86/81/50/558868150.db2.gz ZXSCEIXAOZAPKI-UHFFFAOYSA-N 0 0 410.543 5.030 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078855 558868091 /nfs/dbraw/zinc/86/80/91/558868091.db2.gz VFSBWBWDVVLFHC-UHFFFAOYSA-N 0 0 414.962 5.674 50 0 HKAARN Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078858 558868346 /nfs/dbraw/zinc/86/83/46/558868346.db2.gz LTURBWYMJVCUER-UHFFFAOYSA-N 0 0 400.592 5.221 50 0 HKAARN Cc1c(C(=O)NC2CCCCCCC2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078859 558868359 /nfs/dbraw/zinc/86/83/59/558868359.db2.gz JZLWGJWPNREMBM-UHFFFAOYSA-N 0 0 414.619 5.611 50 0 HKAARN Cc1c(C(=O)NCCCc2ccccc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078864 558868334 /nfs/dbraw/zinc/86/83/34/558868334.db2.gz CCYUVGIQSUUATI-UHFFFAOYSA-N 0 0 422.598 5.131 50 0 HKAARN Cc1c(C(=O)NCCc2ccc(C)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078874 568511078 /nfs/dbraw/zinc/51/10/78/568511078.db2.gz TWQAVKFZNABWOH-UHFFFAOYSA-N 0 0 422.598 5.050 50 0 HKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078907 558868329 /nfs/dbraw/zinc/86/83/29/558868329.db2.gz IBJHUKIQTRVWGZ-UHFFFAOYSA-N 0 0 400.935 5.122 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078938 558868357 /nfs/dbraw/zinc/86/83/57/558868357.db2.gz FCTKLCXAXZXBRK-UHFFFAOYSA-N 0 0 400.935 5.122 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078940 558868323 /nfs/dbraw/zinc/86/83/23/558868323.db2.gz MAAOCVZLLTVRBC-UHFFFAOYSA-N 0 0 400.935 5.122 50 0 HKAARN Cc1c(C(=O)Nc2ccccc2Cl)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084334 558869468 /nfs/dbraw/zinc/86/94/68/558869468.db2.gz QGXIRHGUFDIZHP-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084335 558869532 /nfs/dbraw/zinc/86/95/32/558869532.db2.gz OTYLAHBKGJHUQS-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084340 558869446 /nfs/dbraw/zinc/86/94/46/558869446.db2.gz PHTFEDWJHROZJS-UHFFFAOYSA-N 0 0 414.962 5.513 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084365 558869459 /nfs/dbraw/zinc/86/94/59/558869459.db2.gz WQBHNHDKLBAEAW-UHFFFAOYSA-N 0 0 414.962 5.513 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084384 132503019 /nfs/dbraw/zinc/50/30/19/132503019.db2.gz GZKJCGVYTBNMSB-UHFFFAOYSA-N 0 0 418.925 5.343 50 0 HKAARN CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 ZINC000033084422 558869620 /nfs/dbraw/zinc/86/96/20/558869620.db2.gz PKILQYWCLDDSPV-UHFFFAOYSA-N 0 0 407.926 5.935 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 ZINC000033084426 558869672 /nfs/dbraw/zinc/86/96/72/558869672.db2.gz GECDSWRHQKQRLJ-UHFFFAOYSA-N 0 0 424.909 5.886 50 0 HKAARN Cc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1nc2ccccc2s1 ZINC000033084451 558869687 /nfs/dbraw/zinc/86/96/87/558869687.db2.gz ADYGPTZEBQNYOK-UHFFFAOYSA-N 0 0 413.296 5.880 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1OC ZINC000033084456 558869589 /nfs/dbraw/zinc/86/95/89/558869589.db2.gz SIBMWRSOLBBUIA-UHFFFAOYSA-N 0 0 404.491 5.541 50 0 HKAARN COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)cc1 ZINC000033084462 558869683 /nfs/dbraw/zinc/86/96/83/558869683.db2.gz TYEBDOCBDFDBRW-UHFFFAOYSA-N 0 0 402.519 5.852 50 0 HKAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1nc2ccccc2s1 ZINC000033084475 558868751 /nfs/dbraw/zinc/86/87/51/558868751.db2.gz XCARODHBGVCFJY-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccccc3Br)cc12 ZINC000033084538 558868769 /nfs/dbraw/zinc/86/87/69/558868769.db2.gz HUCUGPHCESSTIB-UHFFFAOYSA-N 0 0 424.342 5.548 50 0 HKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Br)cc3)cc12 ZINC000033084543 558868787 /nfs/dbraw/zinc/86/87/87/558868787.db2.gz ASANXVJJNNJZFA-UHFFFAOYSA-N 0 0 424.342 5.548 50 0 HKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3cccc(Br)c3)cc12 ZINC000033084551 558868774 /nfs/dbraw/zinc/86/87/74/558868774.db2.gz FIGPFTSODJBTLO-UHFFFAOYSA-N 0 0 424.342 5.548 50 0 HKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CSCc3ccc(F)cc3)cc12 ZINC000033084573 558868738 /nfs/dbraw/zinc/86/87/38/558868738.db2.gz FLZLDSWRDPVPJT-UHFFFAOYSA-N 0 0 423.557 5.545 50 0 HKAARN CCN(CC)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)cc1 ZINC000033084577 558868791 /nfs/dbraw/zinc/86/87/91/558868791.db2.gz QJDNVVPJVXCWMQ-UHFFFAOYSA-N 0 0 402.542 5.242 50 0 HKAARN Cc1cc(N2CCCC2)nc2ccc(NC(=O)c3ccc(Br)cc3)cc12 ZINC000033084608 558868747 /nfs/dbraw/zinc/86/87/47/558868747.db2.gz LVHPTZBFLFGIMX-UHFFFAOYSA-N 0 0 410.315 5.158 50 0 HKAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Br)ccc2n1 ZINC000033084676 558869045 /nfs/dbraw/zinc/86/90/45/558869045.db2.gz OCDHASWRTLDBMD-UHFFFAOYSA-N 0 0 412.331 5.404 50 0 HKAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 ZINC000033084683 558869081 /nfs/dbraw/zinc/86/90/81/558869081.db2.gz WMJNWFJHITXNPW-UHFFFAOYSA-N 0 0 412.331 5.404 50 0 HKAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(Br)c3)ccc2n1 ZINC000033084692 558869021 /nfs/dbraw/zinc/86/90/21/558869021.db2.gz UBIBRPXEEKKJCC-UHFFFAOYSA-N 0 0 412.331 5.404 50 0 HKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12 ZINC000033084710 558869031 /nfs/dbraw/zinc/86/90/31/558869031.db2.gz ALWNLAXGJXRWDT-UHFFFAOYSA-N 0 0 402.542 5.098 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085613 558870354 /nfs/dbraw/zinc/87/03/54/558870354.db2.gz DZPODSXLKLUYLQ-UHFFFAOYSA-N 0 0 414.509 5.221 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(C)cc3)c21 ZINC000033085619 558870438 /nfs/dbraw/zinc/87/04/38/558870438.db2.gz HLIUMBYABYZAJI-UHFFFAOYSA-N 0 0 414.509 5.139 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085636 558870368 /nfs/dbraw/zinc/87/03/68/558870368.db2.gz FJCOVTKWPIWWLG-UHFFFAOYSA-N 0 0 414.509 5.139 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085676 568511022 /nfs/dbraw/zinc/51/10/22/568511022.db2.gz NAFUYJMQGDBVPT-UHFFFAOYSA-N 0 0 402.473 5.269 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085701 558870382 /nfs/dbraw/zinc/87/03/82/558870382.db2.gz QELDFYZVCDAFHI-UHFFFAOYSA-N 0 0 416.500 5.659 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085750 558870379 /nfs/dbraw/zinc/87/03/79/558870379.db2.gz NEOMCSGEMAPIMT-UHFFFAOYSA-N 0 0 404.901 5.475 50 0 HKAARN O=C(NCc1ccccc1)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085753 568510663 /nfs/dbraw/zinc/51/06/63/568510663.db2.gz GZUULCNJVQQDFE-UHFFFAOYSA-N 0 0 422.463 5.361 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085769 558870360 /nfs/dbraw/zinc/87/03/60/558870360.db2.gz HHMWSQBBIPRGCU-UHFFFAOYSA-N 0 0 418.928 5.865 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085770 558870428 /nfs/dbraw/zinc/87/04/28/558870428.db2.gz GRRHEINKZZRSFE-UHFFFAOYSA-N 0 0 402.473 5.351 50 0 HKAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000033085980 558870597 /nfs/dbraw/zinc/87/05/97/558870597.db2.gz AMEHKFPRZLVNCU-UHFFFAOYSA-N 0 0 422.838 5.401 50 0 HKAARN COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccccc4)nn3)s2)c1 ZINC000033086752 558871145 /nfs/dbraw/zinc/87/11/45/558871145.db2.gz UOQBBBOLTQDSQO-UHFFFAOYSA-N 0 0 405.548 5.876 50 0 HKAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000033086824 558760448 /nfs/dbraw/zinc/76/04/48/558760448.db2.gz QIGRRQONYHKYQK-HNNXBMFYSA-N 0 0 417.868 5.279 50 0 HKAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000033086825 558760451 /nfs/dbraw/zinc/76/04/51/558760451.db2.gz QIGRRQONYHKYQK-OAHLLOKOSA-N 0 0 417.868 5.279 50 0 HKAARN CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000033087012 558760591 /nfs/dbraw/zinc/76/05/91/558760591.db2.gz BMVIUKGXRLVKDU-FQEVSTJZSA-N 0 0 402.560 5.119 50 0 HKAARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000033087013 558760514 /nfs/dbraw/zinc/76/05/14/558760514.db2.gz BMVIUKGXRLVKDU-HXUWFJFHSA-N 0 0 402.560 5.119 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1O ZINC000033087890 558869638 /nfs/dbraw/zinc/86/96/38/558869638.db2.gz MGSPYMGWTVCTFP-JBYOLUDKSA-N 0 0 418.331 5.496 50 0 HKAARN CCOc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1O ZINC000033087891 558869700 /nfs/dbraw/zinc/86/97/00/558869700.db2.gz MGSPYMGWTVCTFP-ZKYUUJBMSA-N 0 0 418.331 5.496 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000033088210 558869980 /nfs/dbraw/zinc/86/99/80/558869980.db2.gz WTXQVMNQUGTUMT-KRWDZBQOSA-N 0 0 402.523 5.190 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000033088211 568510791 /nfs/dbraw/zinc/51/07/91/568510791.db2.gz WTXQVMNQUGTUMT-QGZVFWFLSA-N 0 0 402.523 5.190 50 0 HKAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033088212 558870041 /nfs/dbraw/zinc/87/00/41/558870041.db2.gz AFFBCEQIKDJVSO-INIZCTEOSA-N 0 0 420.563 5.295 50 0 HKAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033088213 558870007 /nfs/dbraw/zinc/87/00/07/558870007.db2.gz AFFBCEQIKDJVSO-MRXNPFEDSA-N 0 0 420.563 5.295 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C)c(C)c1)CC(=O)N2 ZINC000033088224 558870066 /nfs/dbraw/zinc/87/00/66/558870066.db2.gz YZKMWPXCJWCNKQ-QGZVFWFLSA-N 0 0 402.523 5.190 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(C)c(C)c1)CC(=O)N2 ZINC000033088225 558869982 /nfs/dbraw/zinc/86/99/82/558869982.db2.gz YZKMWPXCJWCNKQ-KRWDZBQOSA-N 0 0 402.523 5.190 50 0 HKAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000033088307 558869998 /nfs/dbraw/zinc/86/99/98/558869998.db2.gz BTLRXPHFWMRQJA-UHFFFAOYSA-N 0 0 418.541 5.007 50 0 HKAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000033088308 558869995 /nfs/dbraw/zinc/86/99/95/558869995.db2.gz STFSMYCJFLXLPA-UHFFFAOYSA-N 0 0 418.541 5.007 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033088699 558871793 /nfs/dbraw/zinc/87/17/93/558871793.db2.gz PEFHSJMSCLRSGL-UHFFFAOYSA-N 0 0 420.534 5.087 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC ZINC000033088713 558871783 /nfs/dbraw/zinc/87/17/83/558871783.db2.gz KKAWUDFYVNBZCJ-UHFFFAOYSA-N 0 0 420.534 5.005 50 0 HKAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c3=O ZINC000033089096 558760899 /nfs/dbraw/zinc/76/08/99/558760899.db2.gz ZYTMVDVENOLUFG-SNVBAGLBSA-N 0 0 406.791 5.043 50 0 HKAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c3=O ZINC000033089097 558760914 /nfs/dbraw/zinc/76/09/14/558760914.db2.gz ZYTMVDVENOLUFG-JTQLQIEISA-N 0 0 406.791 5.043 50 0 HKAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c3=O ZINC000033089098 558760881 /nfs/dbraw/zinc/76/08/81/558760881.db2.gz FCZDYLXEJOHXCH-SNVBAGLBSA-N 0 0 406.791 5.043 50 0 HKAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c3=O ZINC000033089099 558760917 /nfs/dbraw/zinc/76/09/17/558760917.db2.gz FCZDYLXEJOHXCH-JTQLQIEISA-N 0 0 406.791 5.043 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(C(F)(F)F)c2)n1-c1ccc(F)cc1 ZINC000033096826 568510859 /nfs/dbraw/zinc/51/08/59/568510859.db2.gz LEUMDRWLMKIGPQ-JYRVWZFOSA-N 0 0 410.370 5.714 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(C(F)(F)F)c2)n1-c1cccc(F)c1 ZINC000033096827 558872817 /nfs/dbraw/zinc/87/28/17/558872817.db2.gz UMKOPQZPZURCLZ-QXMHVHEDSA-N 0 0 410.370 5.714 50 0 HKAARN Cc1cc(C)cc(-n2c(/C=C\c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 ZINC000033096833 558872821 /nfs/dbraw/zinc/87/28/21/558872821.db2.gz QYXJQVZDBZEGOT-KHPPLWFESA-N 0 0 420.434 6.192 50 0 HKAARN Cc1cc(Cl)ccc1-n1c(=O)c2ccccc2nc1/C=C\c1ccc(F)c(F)c1 ZINC000033096846 558872860 /nfs/dbraw/zinc/87/28/60/558872860.db2.gz ZVYVSYKCDASGLR-XFFZJAGNSA-N 0 0 408.835 5.796 50 0 HKAARN Cc1ccc(Cl)cc1-n1c(=O)c2ccccc2nc1/C=C\c1ccc(F)c(F)c1 ZINC000033096847 558872849 /nfs/dbraw/zinc/87/28/49/558872849.db2.gz GCWQQWJTKOKXGF-FLIBITNWSA-N 0 0 408.835 5.796 50 0 HKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(F)c(F)c2)cc1Cl ZINC000033096850 558872852 /nfs/dbraw/zinc/87/28/52/558872852.db2.gz AKQAFHGAASFMMS-FLIBITNWSA-N 0 0 408.835 5.796 50 0 HKAARN COc1ccc(Cl)cc1-n1c(/C=C\c2ccc(F)c(F)c2)nc2ccccc2c1=O ZINC000033096852 558872856 /nfs/dbraw/zinc/87/28/56/558872856.db2.gz KPSJWLXHGXXIPA-XFFZJAGNSA-N 0 0 424.834 5.496 50 0 HKAARN CCOc1ccc(-n2c(/C=C\c3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000033096855 558872842 /nfs/dbraw/zinc/87/28/42/558872842.db2.gz JPSHLJYIQIHKJR-ZSOIEALJSA-N 0 0 404.416 5.233 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(Br)cc1 ZINC000033096856 558872791 /nfs/dbraw/zinc/87/27/91/558872791.db2.gz UANFMTQFUFJNQK-AUWJEWJLSA-N 0 0 421.269 5.458 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000033096859 558872833 /nfs/dbraw/zinc/87/28/33/558872833.db2.gz HYVXJKQKCWHCHX-RAXLEYEMSA-N 0 0 410.370 5.714 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(Br)c2)n1-c1ccc(F)cc1 ZINC000033096865 558872979 /nfs/dbraw/zinc/87/29/79/558872979.db2.gz FHHWNXQJOWPEPY-JYRVWZFOSA-N 0 0 421.269 5.458 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(Br)c2)n1-c1cccc(F)c1 ZINC000033096867 558872971 /nfs/dbraw/zinc/87/29/71/558872971.db2.gz HSYPHWHUZRIJJG-QXMHVHEDSA-N 0 0 421.269 5.458 50 0 HKAARN Cc1cccc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c1 ZINC000033096869 558872982 /nfs/dbraw/zinc/87/29/82/558872982.db2.gz SQFDCFPXVXLPHK-SEYXRHQNSA-N 0 0 417.306 5.627 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2cccc(F)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000033096875 558872951 /nfs/dbraw/zinc/87/29/51/558872951.db2.gz YOAZOZLRKSLGQT-QXMHVHEDSA-N 0 0 410.370 5.714 50 0 HKAARN COc1ccc(CC(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1OC ZINC000033106095 558873855 /nfs/dbraw/zinc/87/38/55/558873855.db2.gz WTYBFDQFUZGEFH-UHFFFAOYSA-N 0 0 404.441 5.172 50 0 HKAARN O=S(=O)(Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1)c1ccc(F)c(F)c1 ZINC000033106147 558873788 /nfs/dbraw/zinc/87/37/88/558873788.db2.gz ZNYBMOKPVYWEHP-UHFFFAOYSA-N 0 0 402.397 5.053 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)cc1 ZINC000033106241 558873751 /nfs/dbraw/zinc/87/37/51/558873751.db2.gz LOQOHNQBRQODIL-UHFFFAOYSA-N 0 0 413.452 5.642 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 ZINC000033106243 558874014 /nfs/dbraw/zinc/87/40/14/558874014.db2.gz LMZWRWBUWXNPTL-UHFFFAOYSA-N 0 0 401.510 5.267 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000033106246 558874047 /nfs/dbraw/zinc/87/40/47/558874047.db2.gz ZLUXZQNGODWWCB-UHFFFAOYSA-N 0 0 423.516 5.489 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1 ZINC000033106247 568511460 /nfs/dbraw/zinc/51/14/60/568511460.db2.gz QFYGROAPRATVMB-UHFFFAOYSA-N 0 0 401.510 5.122 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1 ZINC000033106254 558873979 /nfs/dbraw/zinc/87/39/79/558873979.db2.gz VSIVZFZKAPBWRH-UHFFFAOYSA-N 0 0 409.489 5.811 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000033106260 558874068 /nfs/dbraw/zinc/87/40/68/558874068.db2.gz XEJHPOSBDVEZGI-SFHVURJKSA-N 0 0 423.516 5.741 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000033106261 558874065 /nfs/dbraw/zinc/87/40/65/558874065.db2.gz XEJHPOSBDVEZGI-GOSISDBHSA-N 0 0 423.516 5.741 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(C)c3)c3ccccc3n2)cc1 ZINC000033106264 558873976 /nfs/dbraw/zinc/87/39/76/558873976.db2.gz GHRSIGXCOXAZIP-UHFFFAOYSA-N 0 0 423.516 5.489 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccc3n2)cc1 ZINC000033106282 558874006 /nfs/dbraw/zinc/87/40/06/558874006.db2.gz GXAHBRPJYOBDHI-UHFFFAOYSA-N 0 0 413.477 5.082 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1 ZINC000033106284 558873983 /nfs/dbraw/zinc/87/39/83/558873983.db2.gz ZVYOOBGOMGIJIC-UHFFFAOYSA-N 0 0 401.510 5.313 50 0 HKAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N(C)Cc3ccco3)c3ccccc3n2)cc1 ZINC000033106304 568511481 /nfs/dbraw/zinc/51/14/81/568511481.db2.gz YANRDJXLAQRTNU-UHFFFAOYSA-N 0 0 413.477 5.116 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3C)c3ccccc3n2)cc1 ZINC000033106321 558874045 /nfs/dbraw/zinc/87/40/45/558874045.db2.gz GCSJUFYBBMDEJB-UHFFFAOYSA-N 0 0 409.489 5.099 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3cc(C)ccc3n2)cc1 ZINC000033106337 558874071 /nfs/dbraw/zinc/87/40/71/558874071.db2.gz QJURVNHCPBJEBC-UHFFFAOYSA-N 0 0 413.452 5.560 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(C)ccc3n2)cc1 ZINC000033106339 558873992 /nfs/dbraw/zinc/87/39/92/558873992.db2.gz SMKUVARWEOABRO-UHFFFAOYSA-N 0 0 401.510 5.185 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(C)ccc3n2)cc1 ZINC000033106342 558873997 /nfs/dbraw/zinc/87/39/97/558873997.db2.gz NIQWGPJOIRJHMV-UHFFFAOYSA-N 0 0 401.510 5.041 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3cc(C)ccc3n2)cc1 ZINC000033106350 568511435 /nfs/dbraw/zinc/51/14/35/568511435.db2.gz PZNWJNBBTWNIQH-UHFFFAOYSA-N 0 0 409.489 5.729 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(C)o3)c3cc(C)ccc3n2)cc1 ZINC000033106381 558873999 /nfs/dbraw/zinc/87/39/99/558873999.db2.gz HXRVBBDEVQLOSF-UHFFFAOYSA-N 0 0 413.477 5.000 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000033106385 558874032 /nfs/dbraw/zinc/87/40/32/558874032.db2.gz WYDDPLXMYQLZGS-UHFFFAOYSA-N 0 0 409.489 5.729 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)c3cc(C)ccc3n2)cc1 ZINC000033106386 558874080 /nfs/dbraw/zinc/87/40/80/558874080.db2.gz JFISXQXPGVYGPM-UHFFFAOYSA-N 0 0 409.489 5.729 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)NC3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000033106387 568511416 /nfs/dbraw/zinc/51/14/16/568511416.db2.gz XPYHWGXPNAUPIM-UHFFFAOYSA-N 0 0 401.510 5.231 50 0 HKAARN CC(=O)Nc1ccc(-c2cc(C(=O)N(C)Cc3ccco3)c3cc(C)ccc3n2)cc1 ZINC000033106407 558873989 /nfs/dbraw/zinc/87/39/89/558873989.db2.gz CKHOOZMADFRRFV-UHFFFAOYSA-N 0 0 413.477 5.034 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3ccc(C)cc3)c2sc1NC(=O)CC ZINC000033113572 558875431 /nfs/dbraw/zinc/87/54/31/558875431.db2.gz JBJYFMICYBKCKA-UHFFFAOYSA-N 0 0 411.523 5.622 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(C)c3)c2sc1NC(=O)CC ZINC000033113575 558875501 /nfs/dbraw/zinc/87/55/01/558875501.db2.gz DLAVENRBCHYTOT-UHFFFAOYSA-N 0 0 411.523 5.622 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(F)c3)c2sc1NC(=O)CC ZINC000033113577 558875463 /nfs/dbraw/zinc/87/54/63/558875463.db2.gz HHTRMNHSJUNTRY-UHFFFAOYSA-N 0 0 415.486 5.453 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3ccc(F)cc3)c2sc1NC(=O)CC ZINC000033113579 558875548 /nfs/dbraw/zinc/87/55/48/558875548.db2.gz YMKSXBVHBMUEQF-UHFFFAOYSA-N 0 0 415.486 5.453 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3cc(C)ccc3C)c2sc1NC(C)=O ZINC000033113608 558875479 /nfs/dbraw/zinc/87/54/79/558875479.db2.gz SDNAVRNAGLJMNW-UHFFFAOYSA-N 0 0 411.523 5.541 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(Cl)c3)c2sc1NC(C)=O ZINC000033113609 558875538 /nfs/dbraw/zinc/87/55/38/558875538.db2.gz SHVCVLVLEWIDCM-UHFFFAOYSA-N 0 0 417.914 5.577 50 0 HKAARN CCOC(=O)c1c2ccc(C)c(OCc3ccccc3Cl)c2sc1NC(C)=O ZINC000033113610 558875542 /nfs/dbraw/zinc/87/55/42/558875542.db2.gz USNJGJVKLZZUET-UHFFFAOYSA-N 0 0 417.914 5.577 50 0 HKAARN C=Cc1ccc(COc2c3sc(NC(C)=O)c(C(=O)OCC)c3ccc2C)cc1 ZINC000033113618 568511433 /nfs/dbraw/zinc/51/14/33/568511433.db2.gz SRIKWMCGBMMADA-UHFFFAOYSA-N 0 0 409.507 5.567 50 0 HKAARN Cc1ccc2nc(-c3ccccc3NC(=O)c3ccc(Br)o3)ccc2c1 ZINC000033113720 558875492 /nfs/dbraw/zinc/87/54/92/558875492.db2.gz ACXDTDUWQRJHOU-UHFFFAOYSA-N 0 0 407.267 5.818 50 0 HKAARN CCOc1ccc(C(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)cc1OCC ZINC000033113792 558875467 /nfs/dbraw/zinc/87/54/67/558875467.db2.gz AAMODCQRBPGCDZ-UHFFFAOYSA-N 0 0 412.489 5.952 50 0 HKAARN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc4cc(C(C)C)ccc4n3)c2)c1 ZINC000033113815 558875483 /nfs/dbraw/zinc/87/54/83/558875483.db2.gz ASOMTUBOGHNTLH-UHFFFAOYSA-N 0 0 423.516 6.236 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccccc1C)c(-c1ccccc1)cn2C ZINC000033114541 558876196 /nfs/dbraw/zinc/87/61/96/558876196.db2.gz RGZBKOOMFJNDIW-UHFFFAOYSA-N 0 0 403.551 5.413 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccccc1Cl)c(-c1ccccc1)cn2C ZINC000033114542 558876319 /nfs/dbraw/zinc/87/63/19/558876319.db2.gz FJDDDAFIMAFBCH-UHFFFAOYSA-N 0 0 423.969 5.758 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1cccc(Cl)c1)c(-c1ccccc1)cn2C ZINC000033114543 558876270 /nfs/dbraw/zinc/87/62/70/558876270.db2.gz JYUUHLRGVQNFOJ-UHFFFAOYSA-N 0 0 423.969 5.758 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccc(Cl)cc1)c(-c1ccccc1)cn2C ZINC000033114544 558876252 /nfs/dbraw/zinc/87/62/52/558876252.db2.gz XNUJHACLAFNESF-UHFFFAOYSA-N 0 0 423.969 5.758 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccccc1F)c(-c1ccccc1)cn2C ZINC000033114545 558876282 /nfs/dbraw/zinc/87/62/82/558876282.db2.gz YTLADNMPJHXJIY-UHFFFAOYSA-N 0 0 407.514 5.243 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1cccc(F)c1)c(-c1ccccc1)cn2C ZINC000033114546 558876238 /nfs/dbraw/zinc/87/62/38/558876238.db2.gz WVPPQCZPSRWRLJ-UHFFFAOYSA-N 0 0 407.514 5.243 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccc(C)cc1)c(-c1ccccc1)cn2C ZINC000033114547 558876293 /nfs/dbraw/zinc/87/62/93/558876293.db2.gz ZEVNYZSYUCDJQE-UHFFFAOYSA-N 0 0 403.551 5.413 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1ccc(F)cc1)c(-c1ccccc1)cn2C ZINC000033114548 558876241 /nfs/dbraw/zinc/87/62/41/558876241.db2.gz LVMMXUFQSHZQGS-UHFFFAOYSA-N 0 0 407.514 5.243 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1cccc(C)c1)c(-c1ccccc1)cn2C ZINC000033114549 558876266 /nfs/dbraw/zinc/87/62/66/558876266.db2.gz FNYBVHBPFHEFDN-UHFFFAOYSA-N 0 0 403.551 5.413 50 0 HKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC)cc1 ZINC000033114551 558876482 /nfs/dbraw/zinc/87/64/82/558876482.db2.gz MHPMUCRQOQKMTD-UHFFFAOYSA-N 0 0 415.562 5.747 50 0 HKAARN CCCn1c(=O)c2c(nc1SCc1cccc(OC)c1)c(-c1ccccc1)cn2C ZINC000033114552 558876459 /nfs/dbraw/zinc/87/64/59/558876459.db2.gz ZSQIAFHLXGGNLY-UHFFFAOYSA-N 0 0 419.550 5.113 50 0 HKAARN Cc1ccccc1CSc1nc2c(-c3ccccc3)cn(C)c2c(=O)n1C(C)C ZINC000033114564 558876474 /nfs/dbraw/zinc/87/64/74/558876474.db2.gz VDZPTRGAORHQHY-UHFFFAOYSA-N 0 0 403.551 5.584 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1ccccc1Cl)c(-c1ccccc1)cn2C ZINC000033114565 558876449 /nfs/dbraw/zinc/87/64/49/558876449.db2.gz ZWKLFOWEGDBEHF-UHFFFAOYSA-N 0 0 423.969 5.929 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1cccc(Cl)c1)c(-c1ccccc1)cn2C ZINC000033114566 558876451 /nfs/dbraw/zinc/87/64/51/558876451.db2.gz HHVWKUQINOCYOC-UHFFFAOYSA-N 0 0 423.969 5.929 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1ccc(Cl)cc1)c(-c1ccccc1)cn2C ZINC000033114567 558876429 /nfs/dbraw/zinc/87/64/29/558876429.db2.gz RVVNHLHZJOJNOA-UHFFFAOYSA-N 0 0 423.969 5.929 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1ccccc1F)c(-c1ccccc1)cn2C ZINC000033114568 558876463 /nfs/dbraw/zinc/87/64/63/558876463.db2.gz WAVFACXFMKZBHE-UHFFFAOYSA-N 0 0 407.514 5.414 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1cccc(F)c1)c(-c1ccccc1)cn2C ZINC000033114569 558876446 /nfs/dbraw/zinc/87/64/46/558876446.db2.gz QOQOXLMLFFEADY-UHFFFAOYSA-N 0 0 407.514 5.414 50 0 HKAARN Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)cc1 ZINC000033114570 568511057 /nfs/dbraw/zinc/51/10/57/568511057.db2.gz LFKYEWAZFLOSNE-UHFFFAOYSA-N 0 0 403.551 5.584 50 0 HKAARN CC(C)n1c(=O)c2c(nc1SCc1ccc(F)cc1)c(-c1ccccc1)cn2C ZINC000033114571 558876478 /nfs/dbraw/zinc/87/64/78/558876478.db2.gz FLTHCAYHIBNFJJ-UHFFFAOYSA-N 0 0 407.514 5.414 50 0 HKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)c1 ZINC000033114573 558876450 /nfs/dbraw/zinc/87/64/50/558876450.db2.gz XBAQQKIUAYDZMD-UHFFFAOYSA-N 0 0 403.551 5.584 50 0 HKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)cc1 ZINC000033114575 558876480 /nfs/dbraw/zinc/87/64/80/558876480.db2.gz WMSGWSAKRKJHAU-UHFFFAOYSA-N 0 0 415.562 5.918 50 0 HKAARN COc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)c1 ZINC000033114576 558876458 /nfs/dbraw/zinc/87/64/58/558876458.db2.gz PQVJWRRERROBLE-UHFFFAOYSA-N 0 0 419.550 5.284 50 0 HKAARN Cc1ccccc1CSc1nc2c(-c3ccccc3)cn(C)c2c(=O)n1C1CC1 ZINC000033114584 558876460 /nfs/dbraw/zinc/87/64/60/558876460.db2.gz DSNZFJDQRDTDMK-UHFFFAOYSA-N 0 0 401.535 5.338 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccccc3Cl)n(C3CC3)c(=O)c21 ZINC000033114585 558876444 /nfs/dbraw/zinc/87/64/44/558876444.db2.gz FIOYAMGHTDEAGM-UHFFFAOYSA-N 0 0 421.953 5.683 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3cccc(Cl)c3)n(C3CC3)c(=O)c21 ZINC000033114586 558876453 /nfs/dbraw/zinc/87/64/53/558876453.db2.gz IWJHKIDVXGORJH-UHFFFAOYSA-N 0 0 421.953 5.683 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccc(Cl)cc3)n(C3CC3)c(=O)c21 ZINC000033114587 558876439 /nfs/dbraw/zinc/87/64/39/558876439.db2.gz NCTGOWMPKCVOLJ-UHFFFAOYSA-N 0 0 421.953 5.683 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccccc3F)n(C3CC3)c(=O)c21 ZINC000033114588 558876442 /nfs/dbraw/zinc/87/64/42/558876442.db2.gz HYWXOQMUVPEUMG-UHFFFAOYSA-N 0 0 405.498 5.168 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3cccc(F)c3)n(C3CC3)c(=O)c21 ZINC000033114589 558876470 /nfs/dbraw/zinc/87/64/70/558876470.db2.gz SOXXYOPFGXHAKX-UHFFFAOYSA-N 0 0 405.498 5.168 50 0 HKAARN Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C2CC2)cc1 ZINC000033114590 558876455 /nfs/dbraw/zinc/87/64/55/558876455.db2.gz BIIHXRYJCVOYTR-UHFFFAOYSA-N 0 0 401.535 5.338 50 0 HKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccc(F)cc3)n(C3CC3)c(=O)c21 ZINC000033114591 558876476 /nfs/dbraw/zinc/87/64/76/558876476.db2.gz AQGHDCQABFWHDM-UHFFFAOYSA-N 0 0 405.498 5.168 50 0 HKAARN Cc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C2CC2)c1 ZINC000033114593 568511127 /nfs/dbraw/zinc/51/11/27/568511127.db2.gz TTWSBKNEOWJFGJ-UHFFFAOYSA-N 0 0 401.535 5.338 50 0 HKAARN C=Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C2CC2)cc1 ZINC000033114595 558876488 /nfs/dbraw/zinc/87/64/88/558876488.db2.gz ICPAKWSPCPMTAO-UHFFFAOYSA-N 0 0 413.546 5.672 50 0 HKAARN COc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C2CC2)c1 ZINC000033114596 558876436 /nfs/dbraw/zinc/87/64/36/558876436.db2.gz BYORBXKZPBABAW-UHFFFAOYSA-N 0 0 417.534 5.038 50 0 HKAARN CC(C)CCn1c(=O)c2c(nc1SCc1ccccc1)c(-c1ccccc1)cn2C ZINC000033114602 558876472 /nfs/dbraw/zinc/87/64/72/558876472.db2.gz YPMYNSSZPWRJKW-UHFFFAOYSA-N 0 0 417.578 5.740 50 0 HKAARN O=C(CSc1nc(N2CCCCC2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000033114717 558876484 /nfs/dbraw/zinc/87/64/84/558876484.db2.gz DVSNUYMHSFZNJB-UHFFFAOYSA-N 0 0 412.946 5.004 50 0 HKAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000033114892 558761128 /nfs/dbraw/zinc/76/11/28/558761128.db2.gz HPKDIEHPVYJUCA-UHFFFAOYSA-N 0 0 417.538 5.097 50 0 HKAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000033114943 558761085 /nfs/dbraw/zinc/76/10/85/558761085.db2.gz GKCLXLLRHOZCKQ-IBGZPJMESA-N 0 0 423.394 5.275 50 0 HKAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000033114944 558761040 /nfs/dbraw/zinc/76/10/40/558761040.db2.gz GKCLXLLRHOZCKQ-LJQANCHMSA-N 0 0 423.394 5.275 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl ZINC000033114963 558761133 /nfs/dbraw/zinc/76/11/33/558761133.db2.gz CJWPUKDWEDOJLW-UHFFFAOYSA-N 0 0 404.853 5.923 50 0 HKAARN O=C(c1cccs1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000033115611 558761865 /nfs/dbraw/zinc/76/18/65/558761865.db2.gz QQJYUPFNANXLEH-QFIPXVFZSA-N 0 0 406.457 5.562 50 0 HKAARN O=C(c1cccs1)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000033115612 558761754 /nfs/dbraw/zinc/76/17/54/558761754.db2.gz QQJYUPFNANXLEH-JOCHJYFZSA-N 0 0 406.457 5.562 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000033115615 558761860 /nfs/dbraw/zinc/76/18/60/558761860.db2.gz BUEBYSNRCMBCPF-JOCHJYFZSA-N 0 0 404.922 5.938 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000033115616 558761818 /nfs/dbraw/zinc/76/18/18/558761818.db2.gz BUEBYSNRCMBCPF-QFIPXVFZSA-N 0 0 404.922 5.938 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000033115635 558761781 /nfs/dbraw/zinc/76/17/81/558761781.db2.gz JLQNGGUGTKAPTJ-VWLOTQADSA-N 0 0 414.530 5.080 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 ZINC000033115636 558761796 /nfs/dbraw/zinc/76/17/96/558761796.db2.gz JLQNGGUGTKAPTJ-RUZDIDTESA-N 0 0 414.530 5.080 50 0 HKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000033115641 558761816 /nfs/dbraw/zinc/76/18/16/558761816.db2.gz NRCHEDINAVCKGE-QHCPKHFHSA-N 0 0 420.559 5.141 50 0 HKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2S(=O)(=O)c2cccs2)cc1 ZINC000033115642 558761842 /nfs/dbraw/zinc/76/18/42/558761842.db2.gz NRCHEDINAVCKGE-HSZRJFAPSA-N 0 0 420.559 5.141 50 0 HKAARN O=C(C1CC1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)CCCC3 ZINC000033115663 558761851 /nfs/dbraw/zinc/76/18/51/558761851.db2.gz BWNBDTICKIPPBF-QFIPXVFZSA-N 0 0 422.981 5.913 50 0 HKAARN O=C(C1CC1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)CCCC3 ZINC000033115664 558761760 /nfs/dbraw/zinc/76/17/60/558761760.db2.gz BWNBDTICKIPPBF-JOCHJYFZSA-N 0 0 422.981 5.913 50 0 HKAARN CCCC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)CCCC3 ZINC000033115665 558762137 /nfs/dbraw/zinc/76/21/37/558762137.db2.gz KECDKQGAFFVCAT-QHCPKHFHSA-N 0 0 424.997 6.303 50 0 HKAARN CCCC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)CCCC3 ZINC000033115666 558762045 /nfs/dbraw/zinc/76/20/45/558762045.db2.gz KECDKQGAFFVCAT-HSZRJFAPSA-N 0 0 424.997 6.303 50 0 HKAARN O=C(c1ccco1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033115673 558762118 /nfs/dbraw/zinc/76/21/18/558762118.db2.gz YVSRDFFAYMVNAP-QHCPKHFHSA-N 0 0 414.530 5.756 50 0 HKAARN O=C(c1ccco1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115674 558762140 /nfs/dbraw/zinc/76/21/40/558762140.db2.gz YVSRDFFAYMVNAP-HSZRJFAPSA-N 0 0 414.530 5.756 50 0 HKAARN O=C(c1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033115687 558762105 /nfs/dbraw/zinc/76/21/05/558762105.db2.gz JDXFCSRWFZGZST-VWLOTQADSA-N 0 0 424.569 6.163 50 0 HKAARN O=C(c1ccccc1)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115688 558762068 /nfs/dbraw/zinc/76/20/68/558762068.db2.gz JDXFCSRWFZGZST-RUZDIDTESA-N 0 0 424.569 6.163 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)C2CC2)CCCC4)c1 ZINC000033115695 558762142 /nfs/dbraw/zinc/76/21/42/558762142.db2.gz YJYSXJUBXPRUSY-QHCPKHFHSA-N 0 0 402.563 5.568 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)C2CC2)CCCC4)c1 ZINC000033115696 558762065 /nfs/dbraw/zinc/76/20/65/558762065.db2.gz YJYSXJUBXPRUSY-HSZRJFAPSA-N 0 0 402.563 5.568 50 0 HKAARN Cc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)C(C)C)CCCC4)c1 ZINC000033115707 558762121 /nfs/dbraw/zinc/76/21/21/558762121.db2.gz OIZQUEGCXUSBPZ-QHCPKHFHSA-N 0 0 404.579 5.814 50 0 HKAARN Cc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)C(C)C)CCCC4)c1 ZINC000033115708 558762110 /nfs/dbraw/zinc/76/21/10/558762110.db2.gz OIZQUEGCXUSBPZ-HSZRJFAPSA-N 0 0 404.579 5.814 50 0 HKAARN Cc1ccc(Oc2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cc1 ZINC000033115889 558762081 /nfs/dbraw/zinc/76/20/81/558762081.db2.gz FYTLUFXFPDKGEF-IBGZPJMESA-N 0 0 411.461 5.358 50 0 HKAARN Cc1ccc(Oc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cc1 ZINC000033115890 558762047 /nfs/dbraw/zinc/76/20/47/558762047.db2.gz FYTLUFXFPDKGEF-LJQANCHMSA-N 0 0 411.461 5.358 50 0 HKAARN Cc1cccc(Oc2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)c1 ZINC000033115893 558762054 /nfs/dbraw/zinc/76/20/54/558762054.db2.gz HQTZOAMFXRYVRX-IBGZPJMESA-N 0 0 411.461 5.358 50 0 HKAARN Cc1cccc(Oc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)c1 ZINC000033115894 558762097 /nfs/dbraw/zinc/76/20/97/558762097.db2.gz HQTZOAMFXRYVRX-LJQANCHMSA-N 0 0 411.461 5.358 50 0 HKAARN CCOCCCNC(=O)Cc1c2ccccc2[nH]c1Sc1ccc(Cl)cc1 ZINC000033116242 558877652 /nfs/dbraw/zinc/87/76/52/558877652.db2.gz KEJRWHJQGJPZGT-UHFFFAOYSA-N 0 0 402.947 5.058 50 0 HKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1F)NCCC1=CCCCC1 ZINC000033116276 558877648 /nfs/dbraw/zinc/87/76/48/558877648.db2.gz FWNYATJFXUQHHL-UHFFFAOYSA-N 0 0 408.542 6.007 50 0 HKAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)NCCC1=CCCCC1 ZINC000033116298 558877625 /nfs/dbraw/zinc/87/76/25/558877625.db2.gz UUKBIUHIPYRONS-UHFFFAOYSA-N 0 0 408.542 6.007 50 0 HKAARN CCCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000033116553 558877671 /nfs/dbraw/zinc/87/76/71/558877671.db2.gz ZWURIMWMBKPVIS-UHFFFAOYSA-N 0 0 419.550 5.101 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1C ZINC000033116574 558877796 /nfs/dbraw/zinc/87/77/96/558877796.db2.gz KVBLLQSZMLHZGQ-UHFFFAOYSA-N 0 0 419.550 5.074 50 0 HKAARN Cc1cc(Sc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n2ncnc2n1 ZINC000033121784 558878707 /nfs/dbraw/zinc/87/87/07/558878707.db2.gz ZIIGJLSVWXRWHR-UHFFFAOYSA-N 0 0 417.538 5.134 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000033121911 558878821 /nfs/dbraw/zinc/87/88/21/558878821.db2.gz NBLYWBVCJPHKGP-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000033121919 558878804 /nfs/dbraw/zinc/87/88/04/558878804.db2.gz RJRAMNVTFRHRNR-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000033121927 523713379 /nfs/dbraw/zinc/71/33/79/523713379.db2.gz RVXORMISFISSBQ-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)n2ncnc2n1 ZINC000033121976 558878827 /nfs/dbraw/zinc/87/88/27/558878827.db2.gz WKAIHIZNNSYXBS-UHFFFAOYSA-N 0 0 423.929 5.134 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2)n2ncnc2n1 ZINC000033121984 558878843 /nfs/dbraw/zinc/87/88/43/558878843.db2.gz QYYOYALKGRTTLC-UHFFFAOYSA-N 0 0 423.929 5.134 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033121988 558878801 /nfs/dbraw/zinc/87/88/01/558878801.db2.gz FPPAWZYYTHMTKZ-UHFFFAOYSA-N 0 0 423.929 5.134 50 0 HKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000033122029 558878783 /nfs/dbraw/zinc/87/87/83/558878783.db2.gz ZYTGJHRDTYELHG-UHFFFAOYSA-N 0 0 417.538 5.097 50 0 HKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000033122042 558878978 /nfs/dbraw/zinc/87/89/78/558878978.db2.gz UXMCHRYDMLJASF-UHFFFAOYSA-N 0 0 417.538 5.097 50 0 HKAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000033122044 568511101 /nfs/dbraw/zinc/51/11/01/568511101.db2.gz AHAXEGPNJZYMFJ-UHFFFAOYSA-N 0 0 417.538 5.097 50 0 HKAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C ZINC000033122110 558878984 /nfs/dbraw/zinc/87/89/84/558878984.db2.gz LSCICAXCRKPSSP-UHFFFAOYSA-N 0 0 424.917 5.190 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000033122166 558878941 /nfs/dbraw/zinc/87/89/41/558878941.db2.gz ZVQRVGUCLAGUEY-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033122213 558878998 /nfs/dbraw/zinc/87/89/98/558878998.db2.gz UBZJPSPKDTVOCL-UHFFFAOYSA-N 0 0 424.917 5.135 50 0 HKAARN CCOc1c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2sc1C(=O)OC ZINC000033123438 558879829 /nfs/dbraw/zinc/87/98/29/558879829.db2.gz UXSDXLAHELMPFF-UHFFFAOYSA-N 0 0 423.412 5.358 50 0 HKAARN CCOc1c2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc2sc1C(=O)OC ZINC000033123440 558879872 /nfs/dbraw/zinc/87/98/72/558879872.db2.gz NNHQYFQKSAMHLB-UHFFFAOYSA-N 0 0 407.850 5.131 50 0 HKAARN CCCOc1c2cc(NC(=O)c3ccc(OCC)cc3)ccc2sc1C(=O)OC ZINC000033123473 558879835 /nfs/dbraw/zinc/87/98/35/558879835.db2.gz FDOJKYODYWWGPP-UHFFFAOYSA-N 0 0 413.495 5.128 50 0 HKAARN CCCOc1c2cc(NC(=O)c3ccccc3OCC)ccc2sc1C(=O)OC ZINC000033123475 558879893 /nfs/dbraw/zinc/87/98/93/558879893.db2.gz VHOQBWPJKIJHRB-UHFFFAOYSA-N 0 0 413.495 5.128 50 0 HKAARN CCCOc1c2cc(NC(=O)c3c(F)cccc3F)ccc2sc1C(=O)OC ZINC000033123479 568511214 /nfs/dbraw/zinc/51/12/14/568511214.db2.gz YBNCAIZXQDODIB-UHFFFAOYSA-N 0 0 405.422 5.007 50 0 HKAARN COc1cc(OC)c(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1Cl ZINC000033123604 558879790 /nfs/dbraw/zinc/87/97/90/558879790.db2.gz NNXAIVIVPMEIFG-UHFFFAOYSA-N 0 0 421.884 6.150 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1 ZINC000033123615 558879860 /nfs/dbraw/zinc/87/98/60/558879860.db2.gz YCTFGNTUKVDYLA-UHFFFAOYSA-N 0 0 413.477 5.585 50 0 HKAARN COc1cc(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000033123619 558879911 /nfs/dbraw/zinc/87/99/11/558879911.db2.gz CLNKGIQDSGOLPY-UHFFFAOYSA-N 0 0 417.465 5.505 50 0 HKAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000033123657 558879881 /nfs/dbraw/zinc/87/98/81/558879881.db2.gz BRHHNZKTCGHPIB-UHFFFAOYSA-N 0 0 419.868 5.919 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1OC ZINC000033123659 558879896 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Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C ZINC000033124051 558880229 /nfs/dbraw/zinc/88/02/29/558880229.db2.gz BDSAHYSICXJTFA-UHFFFAOYSA-N 0 0 408.548 5.689 50 0 HKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000033124057 558880278 /nfs/dbraw/zinc/88/02/78/558880278.db2.gz XTRSIIRLUVWHFV-UHFFFAOYSA-N 0 0 412.511 5.520 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000033124058 558880286 /nfs/dbraw/zinc/88/02/86/558880286.db2.gz CGHWLIYSBQQXCM-UHFFFAOYSA-N 0 0 416.474 5.351 50 0 HKAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033124061 558880289 /nfs/dbraw/zinc/88/02/89/558880289.db2.gz YLGRMSCMAWJTDK-UHFFFAOYSA-N 0 0 408.548 5.689 50 0 HKAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124073 558880260 /nfs/dbraw/zinc/88/02/60/558880260.db2.gz JIWKCYYPAKMDCO-UHFFFAOYSA-N 0 0 403.463 5.394 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000033124082 558880293 /nfs/dbraw/zinc/88/02/93/558880293.db2.gz 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558880244 /nfs/dbraw/zinc/88/02/44/558880244.db2.gz LPCXIXUDZIOLMH-UHFFFAOYSA-N 0 0 413.424 6.626 50 0 HKAARN CCOc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033124184 558880246 /nfs/dbraw/zinc/88/02/46/558880246.db2.gz WFJPRFMLPFCRRX-UHFFFAOYSA-N 0 0 403.507 6.314 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033124195 558880314 /nfs/dbraw/zinc/88/03/14/558880314.db2.gz KOESNGDIOLXHIW-UHFFFAOYSA-N 0 0 417.490 5.702 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000033124199 558880235 /nfs/dbraw/zinc/88/02/35/558880235.db2.gz UIFXFXJIBACLAD-UHFFFAOYSA-N 0 0 403.463 5.644 50 0 HKAARN COC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033124201 558880283 /nfs/dbraw/zinc/88/02/83/558880283.db2.gz YJNUROBVDMLICC-UHFFFAOYSA-N 0 0 417.490 5.702 50 0 HKAARN COC(=O)c1sccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000033124203 558880234 /nfs/dbraw/zinc/88/02/34/558880234.db2.gz LAOFURTXTKYUPS-UHFFFAOYSA-N 0 0 423.519 5.764 50 0 HKAARN Cc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033125763 558883652 /nfs/dbraw/zinc/88/36/52/558883652.db2.gz CDHQQSQRAOTWTL-UHFFFAOYSA-N 0 0 414.937 5.104 50 0 HKAARN CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126253 558883944 /nfs/dbraw/zinc/88/39/44/558883944.db2.gz QWQMNVWDFKLUTQ-UHFFFAOYSA-N 0 0 420.944 5.064 50 0 HKAARN CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccccc3)cc2n1 ZINC000033126320 558883953 /nfs/dbraw/zinc/88/39/53/558883953.db2.gz NOADIUVLKXFOQP-UHFFFAOYSA-N 0 0 414.553 5.225 50 0 HKAARN CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126340 558884028 /nfs/dbraw/zinc/88/40/28/558884028.db2.gz ZLEUVLCWSHHTSI-UHFFFAOYSA-N 0 0 420.944 5.064 50 0 HKAARN CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126355 558883958 /nfs/dbraw/zinc/88/39/58/558883958.db2.gz PMJUNKCLRUVCIA-UHFFFAOYSA-N 0 0 414.553 5.144 50 0 HKAARN COc1ccc(NC(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1OC ZINC000033126363 558883940 /nfs/dbraw/zinc/88/39/40/558883940.db2.gz LOKKMDQXXWXEOW-UHFFFAOYSA-N 0 0 416.481 5.009 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000033126365 558884041 /nfs/dbraw/zinc/88/40/41/558884041.db2.gz QESAHNWBHJLSPF-UHFFFAOYSA-N 0 0 420.900 5.654 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000033126371 558883965 /nfs/dbraw/zinc/88/39/65/558883965.db2.gz VYSCHIIKVPSIHU-UHFFFAOYSA-N 0 0 408.864 5.785 50 0 HKAARN Cn1c(CCc2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)nc2ccccc21 ZINC000033126385 558883950 /nfs/dbraw/zinc/88/39/50/558883950.db2.gz RWKZSEVZHDSKQS-UHFFFAOYSA-N 0 0 422.891 5.795 50 0 HKAARN CCOc1ccc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000033126387 558884084 /nfs/dbraw/zinc/88/40/84/558884084.db2.gz QGXKICSXFSXGNQ-UHFFFAOYSA-N 0 0 414.509 5.401 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000033126389 558883963 /nfs/dbraw/zinc/88/39/63/558883963.db2.gz IDBMCRIGJOXQFY-UHFFFAOYSA-N 0 0 418.928 5.964 50 0 HKAARN Cn1c(CCc2cccc(NC(=O)Nc3cc(F)ccc3F)c2)nc2ccccc21 ZINC000033126391 558883937 /nfs/dbraw/zinc/88/39/37/558883937.db2.gz HEKJXUVOGULDGN-UHFFFAOYSA-N 0 0 406.436 5.281 50 0 HKAARN Cn1c(CCc2cccc(NC(=O)Nc3ccc(F)cc3F)c2)nc2ccccc21 ZINC000033126395 558883983 /nfs/dbraw/zinc/88/39/83/558883983.db2.gz RBAGQDQTLMTYRE-UHFFFAOYSA-N 0 0 406.436 5.281 50 0 HKAARN CCCn1c(CCc2cccc(NC(=O)Nc3ccc(C)cc3)c2)nc2ccccc21 ZINC000033126397 558884000 /nfs/dbraw/zinc/88/40/00/558884000.db2.gz RFPOFGIDOZINRH-UHFFFAOYSA-N 0 0 412.537 6.184 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126428 558883974 /nfs/dbraw/zinc/88/39/74/558883974.db2.gz DSFJKABEFWBDQO-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c1 ZINC000033126434 558884089 /nfs/dbraw/zinc/88/40/89/558884089.db2.gz BYRDZFROEVRTCS-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c1 ZINC000033126436 558884009 /nfs/dbraw/zinc/88/40/09/558884009.db2.gz BKFFCMDRSLOKOV-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126449 558884038 /nfs/dbraw/zinc/88/40/38/558884038.db2.gz VEWTUYPYAFIMEX-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN CN(C(=O)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1)C1CCCCC1 ZINC000033126454 558883942 /nfs/dbraw/zinc/88/39/42/558883942.db2.gz TZVRQBDVGJUDBA-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c(C)c1 ZINC000033126456 558884006 /nfs/dbraw/zinc/88/40/06/558884006.db2.gz JVTCVBNBIVQECS-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126473 558884209 /nfs/dbraw/zinc/88/42/09/558884209.db2.gz WWEHEASDKISKGR-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126477 558884236 /nfs/dbraw/zinc/88/42/36/558884236.db2.gz OOUDXIWPIJEDNV-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c1 ZINC000033126483 558884277 /nfs/dbraw/zinc/88/42/77/558884277.db2.gz SXQCDOSRRBFSMV-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(C(C)C)cc4)c2=O)C(=O)CCC3)cc1 ZINC000033126755 558884351 /nfs/dbraw/zinc/88/43/51/558884351.db2.gz VSROLUIQFFWQCL-UHFFFAOYSA-N 0 0 414.505 5.041 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2c(n(-c3ccc(C(C)C)cc3)c1=O)CCCC2=O ZINC000033126801 558884386 /nfs/dbraw/zinc/88/43/86/558884386.db2.gz GVDYXRNXUHMBQC-UHFFFAOYSA-N 0 0 414.505 5.041 50 0 HKAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1 ZINC000033126861 558884317 /nfs/dbraw/zinc/88/43/17/558884317.db2.gz JRWFFADSWMIUJR-UHFFFAOYSA-N 0 0 414.505 5.041 50 0 HKAARN Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1Cl ZINC000033127823 558881117 /nfs/dbraw/zinc/88/11/17/558881117.db2.gz JJLTUPJAZUMVIQ-JOCHJYFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1ccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1Cl ZINC000033127824 558881081 /nfs/dbraw/zinc/88/10/81/558881081.db2.gz JJLTUPJAZUMVIQ-QFIPXVFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127839 558881202 /nfs/dbraw/zinc/88/12/02/558881202.db2.gz RZWZYOUNJZRGTB-JOCHJYFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127840 558881205 /nfs/dbraw/zinc/88/12/05/558881205.db2.gz RZWZYOUNJZRGTB-QFIPXVFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127855 558881230 /nfs/dbraw/zinc/88/12/30/558881230.db2.gz DUUDTVOFOCNSAM-JOCHJYFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127856 558881187 /nfs/dbraw/zinc/88/11/87/558881187.db2.gz DUUDTVOFOCNSAM-QFIPXVFZSA-N 0 0 419.912 5.101 50 0 HKAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc2=O)cc1C ZINC000033128112 558881808 /nfs/dbraw/zinc/88/18/08/558881808.db2.gz MJESKVPSQLXDCX-GOSISDBHSA-N 0 0 421.566 5.092 50 0 HKAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc2=O)cc1C ZINC000033128113 558881805 /nfs/dbraw/zinc/88/18/05/558881805.db2.gz MJESKVPSQLXDCX-SFHVURJKSA-N 0 0 421.566 5.092 50 0 HKAARN Cc1cc(C)c(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)c(C)c1 ZINC000033128435 558882304 /nfs/dbraw/zinc/88/23/04/558882304.db2.gz DZKXAEDIQQWQOO-UHFFFAOYSA-N 0 0 421.566 5.012 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000033128439 558882219 /nfs/dbraw/zinc/88/22/19/558882219.db2.gz NKHFHZZRVKKPQH-UHFFFAOYSA-N 0 0 421.566 5.210 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1cc(C)n(-c2ccc(N3CCCC3)nc2)c1C ZINC000033128451 558882260 /nfs/dbraw/zinc/88/22/60/558882260.db2.gz VGSYCIUUORFLFF-UHFFFAOYSA-N 0 0 424.932 5.004 50 0 HKAARN O=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CCC2)cc1)c1cccs1 ZINC000033128544 558882320 /nfs/dbraw/zinc/88/23/20/558882320.db2.gz ZWOACFFPVJFZTI-UHFFFAOYSA-N 0 0 418.562 5.171 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc32)cc1 ZINC000033128646 558882499 /nfs/dbraw/zinc/88/24/99/558882499.db2.gz VNWHLTKOGROIES-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000033128649 558882443 /nfs/dbraw/zinc/88/24/43/558882443.db2.gz WBQTUASDOZRNBH-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc32)cc1 ZINC000033128651 558882456 /nfs/dbraw/zinc/88/24/56/558882456.db2.gz QHRPHSKTEMFCLO-UHFFFAOYSA-N 0 0 419.912 5.804 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)cc4Cl)cc32)cc1 ZINC000033128656 558882495 /nfs/dbraw/zinc/88/24/95/558882495.db2.gz BLMQFYGORAHDKT-UHFFFAOYSA-N 0 0 419.912 5.804 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc32)cc1 ZINC000033128663 558882479 /nfs/dbraw/zinc/88/24/79/558882479.db2.gz KNHWWDWUCONHGE-UHFFFAOYSA-N 0 0 419.912 5.804 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc32)cc1 ZINC000033128664 558882453 /nfs/dbraw/zinc/88/24/53/558882453.db2.gz XSBOMUYAIZFQFN-UHFFFAOYSA-N 0 0 423.875 5.634 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128668 558882454 /nfs/dbraw/zinc/88/24/54/558882454.db2.gz VXYMCZALKTTZDV-UHFFFAOYSA-N 0 0 415.493 5.241 50 0 HKAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128669 558882474 /nfs/dbraw/zinc/88/24/74/558882474.db2.gz SYCRJOTXCNICNQ-UHFFFAOYSA-N 0 0 415.493 5.241 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc32)cc1 ZINC000033128672 558882446 /nfs/dbraw/zinc/88/24/46/558882446.db2.gz KIYSZCJLJATKBG-UHFFFAOYSA-N 0 0 419.912 5.804 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc32)cc1 ZINC000033128684 558882447 /nfs/dbraw/zinc/88/24/47/558882447.db2.gz ASCBSXJWFIZQOG-UHFFFAOYSA-N 0 0 403.457 5.289 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cc(F)ccc4F)cc32)cc1 ZINC000033128686 558882715 /nfs/dbraw/zinc/88/27/15/558882715.db2.gz BPLVPKZSEWABCP-UHFFFAOYSA-N 0 0 407.420 5.120 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128690 568511241 /nfs/dbraw/zinc/51/12/41/568511241.db2.gz OKYZEMROVLTNRQ-UHFFFAOYSA-N 0 0 415.493 5.159 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(F)cc4F)cc32)cc1 ZINC000033128693 558882678 /nfs/dbraw/zinc/88/26/78/558882678.db2.gz UGOZHBJDHIUAEQ-UHFFFAOYSA-N 0 0 407.420 5.120 50 0 HKAARN CSc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000033128697 558882607 /nfs/dbraw/zinc/88/26/07/558882607.db2.gz RTQCAFDJQVUNKM-UHFFFAOYSA-N 0 0 417.534 5.564 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1Cl ZINC000033128713 558882610 /nfs/dbraw/zinc/88/26/10/558882610.db2.gz RUHKXRSUDMIZJZ-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(Cl)c1 ZINC000033128718 558882598 /nfs/dbraw/zinc/88/25/98/558882598.db2.gz NGFIYMOSYILYIE-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128720 558882667 /nfs/dbraw/zinc/88/26/67/558882667.db2.gz YDBOKEQCAZZSTB-UHFFFAOYSA-N 0 0 421.884 5.196 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128725 558882711 /nfs/dbraw/zinc/88/27/11/558882711.db2.gz LXUMAMFGFUOFNE-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccc(F)c(Cl)c1 ZINC000033128726 558882619 /nfs/dbraw/zinc/88/26/19/558882619.db2.gz HWPJBDSKKYSQSQ-UHFFFAOYSA-N 0 0 409.848 5.326 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128734 558882569 /nfs/dbraw/zinc/88/25/69/558882569.db2.gz JULJSVCOYVRXLT-UHFFFAOYSA-N 0 0 405.885 5.495 50 0 HKAARN CSc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000033128760 558882671 /nfs/dbraw/zinc/88/26/71/558882671.db2.gz MLHNLLIRZXAKAN-UHFFFAOYSA-N 0 0 403.507 5.255 50 0 HKAARN CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)cc1 ZINC000033129168 558882846 /nfs/dbraw/zinc/88/28/46/558882846.db2.gz KUPDXUZVPITCQI-UHFFFAOYSA-N 0 0 413.477 5.953 50 0 HKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 ZINC000033129179 558882887 /nfs/dbraw/zinc/88/28/87/558882887.db2.gz MQOHHAXHGWPXJH-UHFFFAOYSA-N 0 0 401.441 5.371 50 0 HKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000033129180 558882812 /nfs/dbraw/zinc/88/28/12/558882812.db2.gz BVAYYPFHDNTXEL-UHFFFAOYSA-N 0 0 401.441 6.002 50 0 HKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc21 ZINC000033129181 558882823 /nfs/dbraw/zinc/88/28/23/558882823.db2.gz NNVYQMRWLXWZAJ-UHFFFAOYSA-N 0 0 405.404 5.833 50 0 HKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000033129182 558882865 /nfs/dbraw/zinc/88/28/65/558882865.db2.gz BFVXVAKIXIQIAT-UHFFFAOYSA-N 0 0 417.896 6.516 50 0 HKAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)NCc3cccc(F)c3)cc21 ZINC000033129190 568511231 /nfs/dbraw/zinc/51/12/31/568511231.db2.gz IHQGPJAIDIUDNU-UHFFFAOYSA-N 0 0 401.441 5.371 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033129192 558882837 /nfs/dbraw/zinc/88/28/37/558882837.db2.gz CYTYRBABWIIZDH-UHFFFAOYSA-N 0 0 401.441 6.084 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(OC)c3)cc21 ZINC000033129193 558882851 /nfs/dbraw/zinc/88/28/51/558882851.db2.gz ZWSSIWIKHGUIEK-UHFFFAOYSA-N 0 0 413.477 5.953 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000033129194 558882889 /nfs/dbraw/zinc/88/28/89/558882889.db2.gz KIRFTKGKNTXVOJ-UHFFFAOYSA-N 0 0 411.505 6.561 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3OC)cc21 ZINC000033129196 558882834 /nfs/dbraw/zinc/88/28/34/558882834.db2.gz MVDYGUJWVSBZQY-UHFFFAOYSA-N 0 0 413.477 5.953 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc21 ZINC000033129201 558882854 /nfs/dbraw/zinc/88/28/54/558882854.db2.gz UVLVEYINIDURRV-UHFFFAOYSA-N 0 0 417.896 6.598 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc21 ZINC000033129202 558882821 /nfs/dbraw/zinc/88/28/21/558882821.db2.gz MYVYTVJWZXVFOS-UHFFFAOYSA-N 0 0 413.477 5.953 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033129204 558882808 /nfs/dbraw/zinc/88/28/08/558882808.db2.gz MEUKJQCMLZQJCR-UHFFFAOYSA-N 0 0 401.441 6.084 50 0 HKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000033129205 558882857 /nfs/dbraw/zinc/88/28/57/558882857.db2.gz DDEPZVLJJGLPPG-UHFFFAOYSA-N 0 0 411.505 6.561 50 0 HKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033129255 558885120 /nfs/dbraw/zinc/88/51/20/558885120.db2.gz MTEYUOLNGTVUQE-UHFFFAOYSA-N 0 0 421.859 6.347 50 0 HKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033129264 558885033 /nfs/dbraw/zinc/88/50/33/558885033.db2.gz NOSCSGZZIXIJHD-UHFFFAOYSA-N 0 0 417.896 6.598 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129474 558885328 /nfs/dbraw/zinc/88/53/28/558885328.db2.gz NGZBOEZFFYNJKI-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129475 568511224 /nfs/dbraw/zinc/51/12/24/568511224.db2.gz DLRLKJQKRNXYRD-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)Nc1cccc(Cl)c1 ZINC000033129476 558885331 /nfs/dbraw/zinc/88/53/31/558885331.db2.gz FKNBXSDKUSXTTL-UHFFFAOYSA-N 0 0 422.897 5.846 50 0 HKAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)Nc1ccccc1Cl ZINC000033129477 558885350 /nfs/dbraw/zinc/88/53/50/558885350.db2.gz MJRGMKGICPLLMW-UHFFFAOYSA-N 0 0 422.897 5.846 50 0 HKAARN CCc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129479 558885294 /nfs/dbraw/zinc/88/52/94/558885294.db2.gz RALGUOGZVPSGCM-UHFFFAOYSA-N 0 0 416.506 5.755 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129480 568511246 /nfs/dbraw/zinc/51/12/46/568511246.db2.gz TZUNFHQWCFUBMF-UHFFFAOYSA-N 0 0 422.897 5.846 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1C ZINC000033129481 558885280 /nfs/dbraw/zinc/88/52/80/558885280.db2.gz QRDZNWVXOXCOJX-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1C ZINC000033129483 558885307 /nfs/dbraw/zinc/88/53/07/558885307.db2.gz JLHFHICRGLQJIP-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(C)c(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129484 558885299 /nfs/dbraw/zinc/88/52/99/558885299.db2.gz XEKHJZPYDBNXCI-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129485 558885345 /nfs/dbraw/zinc/88/53/45/558885345.db2.gz ZYOZWGKFQVJLON-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129489 558885325 /nfs/dbraw/zinc/88/53/25/558885325.db2.gz ZAGDAIXIYKLSAL-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN Cc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129490 558885310 /nfs/dbraw/zinc/88/53/10/558885310.db2.gz RRAPHZKTAATLOE-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129491 558885338 /nfs/dbraw/zinc/88/53/38/558885338.db2.gz GFROQKXSUPZPSF-UHFFFAOYSA-N 0 0 418.478 5.201 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129498 558885292 /nfs/dbraw/zinc/88/52/92/558885292.db2.gz OEHRDSLQPKPBBO-UHFFFAOYSA-N 0 0 402.479 5.501 50 0 HKAARN CCc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129500 558885347 /nfs/dbraw/zinc/88/53/47/558885347.db2.gz NNGSIKDKCDHTLP-UHFFFAOYSA-N 0 0 416.506 5.755 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c(C)c1 ZINC000033129501 558885335 /nfs/dbraw/zinc/88/53/35/558885335.db2.gz WIEIZLYXQQBCDO-UHFFFAOYSA-N 0 0 416.506 5.809 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1F ZINC000033129508 558885300 /nfs/dbraw/zinc/88/53/00/558885300.db2.gz LANBXPJWMBPLCU-UHFFFAOYSA-N 0 0 420.469 5.640 50 0 HKAARN Cc1ccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129513 558885313 /nfs/dbraw/zinc/88/53/13/558885313.db2.gz WVQHMYCKXZUTDZ-UHFFFAOYSA-N 0 0 416.506 5.179 50 0 HKAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)Nc1cccc(F)c1 ZINC000033129526 558885290 /nfs/dbraw/zinc/88/52/90/558885290.db2.gz GDGSZNKNLRZEGW-UHFFFAOYSA-N 0 0 406.442 5.332 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1C ZINC000033129534 558885479 /nfs/dbraw/zinc/88/54/79/558885479.db2.gz FXDQKVXWVGFHNK-UHFFFAOYSA-N 0 0 422.554 6.076 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1C ZINC000033129535 558885455 /nfs/dbraw/zinc/88/54/55/558885455.db2.gz BZOGNVHBSUPIJO-UHFFFAOYSA-N 0 0 422.554 6.076 50 0 HKAARN Cc1ccc(C)c(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000033129536 558885462 /nfs/dbraw/zinc/88/54/62/558885462.db2.gz NVPUHWKXTYQABT-UHFFFAOYSA-N 0 0 422.554 6.076 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000033129537 558885482 /nfs/dbraw/zinc/88/54/82/558885482.db2.gz YAIUEYPOMPGTLN-UHFFFAOYSA-N 0 0 422.554 6.076 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033129539 558885486 /nfs/dbraw/zinc/88/54/86/558885486.db2.gz PHMZVCIHRZEROH-UHFFFAOYSA-N 0 0 408.527 5.768 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1 ZINC000033129543 558885476 /nfs/dbraw/zinc/88/54/76/558885476.db2.gz UIJXQTFVPINOET-UHFFFAOYSA-N 0 0 422.554 6.076 50 0 HKAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)NC1CCCCC1 ZINC000033129551 558885507 /nfs/dbraw/zinc/88/55/07/558885507.db2.gz ORJATWFRZZUDRE-UHFFFAOYSA-N 0 0 400.548 5.269 50 0 HKAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)Nc1cccc(F)c1 ZINC000033129552 558885496 /nfs/dbraw/zinc/88/54/96/558885496.db2.gz CGFNLEMJRNDNDC-UHFFFAOYSA-N 0 0 412.490 5.598 50 0 HKAARN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N(Cc1ccco1)C1CCCC1 ZINC000033129590 558885464 /nfs/dbraw/zinc/88/54/64/558885464.db2.gz UAOSSUHPMCBKNK-UHFFFAOYSA-N 0 0 413.477 5.582 50 0 HKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccccc4C)cc3)n2)cc1 ZINC000033130352 558886593 /nfs/dbraw/zinc/88/65/93/558886593.db2.gz LTKQAGBWSLZANE-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)Nc4cccc(C)c4)cc3)n2)cc1 ZINC000033130355 558886536 /nfs/dbraw/zinc/88/65/36/558886536.db2.gz YDEQPJHDOBASBY-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NC3CCCCCC3)cc2)n1 ZINC000033130369 558886551 /nfs/dbraw/zinc/88/65/51/558886551.db2.gz RUSVQNYQKIXTMN-UHFFFAOYSA-N 0 0 417.509 5.397 50 0 HKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 ZINC000033130396 558886763 /nfs/dbraw/zinc/88/67/63/558886763.db2.gz PNAINWUYIYIQAI-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1cccc(Oc2ccnc(-c3ccc(C(=O)Nc4ccccc4C)cc3)n2)c1 ZINC000033130398 558886746 /nfs/dbraw/zinc/88/67/46/558886746.db2.gz MMXQPEYMQPJYPF-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130421 558886737 /nfs/dbraw/zinc/88/67/37/558886737.db2.gz TZQIQEUDQPXMAE-UHFFFAOYSA-N 0 0 411.461 5.587 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1Cl ZINC000033130424 558886725 /nfs/dbraw/zinc/88/67/25/558886725.db2.gz SPIGWYDAHRKTQJ-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130426 558886775 /nfs/dbraw/zinc/88/67/75/558886775.db2.gz SOWNERRNPFTPOE-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130428 558886723 /nfs/dbraw/zinc/88/67/23/558886723.db2.gz SLWSNRZHTFYTEJ-UHFFFAOYSA-N 0 0 409.489 6.312 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130436 568511332 /nfs/dbraw/zinc/51/13/32/568511332.db2.gz QPAFRCYDBRVXDX-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130437 558886733 /nfs/dbraw/zinc/88/67/33/558886733.db2.gz NDGCUQRJRGSDEC-XMMPIXPASA-N 0 0 421.500 5.743 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130438 558886769 /nfs/dbraw/zinc/88/67/69/558886769.db2.gz NDGCUQRJRGSDEC-DEOSSOPVSA-N 0 0 421.500 5.743 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130440 558886743 /nfs/dbraw/zinc/88/67/43/558886743.db2.gz MVMBUKGMVZUTTF-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130444 558886781 /nfs/dbraw/zinc/88/67/81/558886781.db2.gz JDZJDDLTIPVDCD-LJQANCHMSA-N 0 0 409.489 5.735 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130445 558886757 /nfs/dbraw/zinc/88/67/57/558886757.db2.gz JDZJDDLTIPVDCD-IBGZPJMESA-N 0 0 409.489 5.735 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130454 568511331 /nfs/dbraw/zinc/51/13/31/568511331.db2.gz PBCSBVNGPJBHHD-UHFFFAOYSA-N 0 0 415.880 5.519 50 0 HKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NC4CCCCCC4)c3)n2)cc1 ZINC000033130477 558886740 /nfs/dbraw/zinc/88/67/40/558886740.db2.gz ADKZHTSVYBMMBK-UHFFFAOYSA-N 0 0 417.509 5.397 50 0 HKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)n2)cc1 ZINC000033130483 558886754 /nfs/dbraw/zinc/88/67/54/558886754.db2.gz QRRVMZJJSSVZEQ-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC3CCCCCC3)c2)n1 ZINC000033130517 558886914 /nfs/dbraw/zinc/88/69/14/558886914.db2.gz GTWIFGVTOAPWFI-UHFFFAOYSA-N 0 0 417.509 5.397 50 0 HKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3cccc(C)c3)c2)n1 ZINC000033130522 558886909 /nfs/dbraw/zinc/88/69/09/558886909.db2.gz JBCKRYIRCYPIPN-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc(C)cc3)c2)n1 ZINC000033130529 558886952 /nfs/dbraw/zinc/88/69/52/558886952.db2.gz WBCAGEKAIGXKBS-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NC4CCCCC4)c3)n2)c1 ZINC000033130556 558886927 /nfs/dbraw/zinc/88/69/27/558886927.db2.gz YHRLQOLNNPBMSP-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NC4CCCCCC4)c3)n2)c1 ZINC000033130558 558886982 /nfs/dbraw/zinc/88/69/82/558886982.db2.gz GTQVDEQESZOAOZ-UHFFFAOYSA-N 0 0 417.509 5.397 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccccc4C)c3)n2)c1 ZINC000033130562 558886985 /nfs/dbraw/zinc/88/69/85/558886985.db2.gz QQERGEGLYXUOPC-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)n2)c1 ZINC000033130566 558886969 /nfs/dbraw/zinc/88/69/69/558886969.db2.gz QOHOYRXJEJCHBA-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)n2)c1 ZINC000033130573 558886949 /nfs/dbraw/zinc/88/69/49/558886949.db2.gz QUPZEAUMQHIUFR-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)n2)c1 ZINC000033130577 558886976 /nfs/dbraw/zinc/88/69/76/558886976.db2.gz MDCQTQHXVMJBRR-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cccc(Cl)c2)n1 ZINC000033130653 568511283 /nfs/dbraw/zinc/51/12/83/568511283.db2.gz IBWRZBVMOWNLNY-UHFFFAOYSA-N 0 0 420.900 5.611 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(CC)cc2)n1 ZINC000033130654 558886958 /nfs/dbraw/zinc/88/69/58/558886958.db2.gz COIAMIZAYWMFAJ-UHFFFAOYSA-N 0 0 414.509 5.520 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(C)c(C)c2)n1 ZINC000033130656 558886922 /nfs/dbraw/zinc/88/69/22/558886922.db2.gz BLAOWVAJFQIIKQ-UHFFFAOYSA-N 0 0 414.509 5.574 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)Nc1c2ccccc2[nH]c1-c1cccnc1 ZINC000033130693 558887203 /nfs/dbraw/zinc/88/72/03/558887203.db2.gz PGZFKYUJXFXGHA-UHFFFAOYSA-N 0 0 400.438 5.051 50 0 HKAARN COc1cc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)cc1Cl ZINC000033130697 558887170 /nfs/dbraw/zinc/88/71/70/558887170.db2.gz HBVIHFRVCYCGBE-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1ccccc1Br ZINC000033130698 558887217 /nfs/dbraw/zinc/88/72/17/558887217.db2.gz AKZOAPOGAPFQCI-UHFFFAOYSA-N 0 0 407.271 5.636 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1cccc(Br)c1 ZINC000033130701 558887215 /nfs/dbraw/zinc/88/72/15/558887215.db2.gz PAURXTQCQCFPKV-UHFFFAOYSA-N 0 0 407.271 5.636 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)cc1 ZINC000033130702 558887235 /nfs/dbraw/zinc/88/72/35/558887235.db2.gz VNQDNTZIBKEFSB-UHFFFAOYSA-N 0 0 400.438 5.051 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1ccc(Br)cc1 ZINC000033130704 558887226 /nfs/dbraw/zinc/88/72/26/558887226.db2.gz GFTMXIRYYZNPIV-UHFFFAOYSA-N 0 0 407.271 5.636 50 0 HKAARN COc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)cc1OC ZINC000033130735 558887208 /nfs/dbraw/zinc/88/72/08/558887208.db2.gz VHNJFUWAHNFDSV-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)c1 ZINC000033130736 558887234 /nfs/dbraw/zinc/88/72/34/558887234.db2.gz YOCYHJWYZIBHPC-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130746 558887213 /nfs/dbraw/zinc/88/72/13/558887213.db2.gz ONQXLNFRUFTFLZ-UHFFFAOYSA-N 0 0 420.856 5.314 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1c2cc(Cl)ccc2[nH]c1-c1cccnc1 ZINC000033130747 558887228 /nfs/dbraw/zinc/88/72/28/558887228.db2.gz LZFMRXYAIIQVLF-UHFFFAOYSA-N 0 0 406.873 5.844 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)c1 ZINC000033130750 558887231 /nfs/dbraw/zinc/88/72/31/558887231.db2.gz CDGQLZSQCYZALH-UHFFFAOYSA-N 0 0 406.417 5.030 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130757 558887199 /nfs/dbraw/zinc/88/71/99/558887199.db2.gz GESDOORKHXVNHO-UHFFFAOYSA-N 0 0 418.428 5.190 50 0 HKAARN O=C(Nc1c2cc(F)ccc2[nH]c1-c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000033130760 558887211 /nfs/dbraw/zinc/88/72/11/558887211.db2.gz ZQZAESSYGYEUDG-UHFFFAOYSA-N 0 0 414.362 6.032 50 0 HKAARN COc1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)c(OC)c1 ZINC000033130766 558887190 /nfs/dbraw/zinc/88/71/90/558887190.db2.gz XLIXNRGTXLYMRI-UHFFFAOYSA-N 0 0 406.417 5.030 50 0 HKAARN COC(=O)c1ccccc1NC(=O)Nc1c2cc(Cl)ccc2[nH]c1-c1ccncc1 ZINC000033130782 568511349 /nfs/dbraw/zinc/51/13/49/568511349.db2.gz ABPUKCLXRFFJED-UHFFFAOYSA-N 0 0 420.856 5.314 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)c1 ZINC000033130784 558887175 /nfs/dbraw/zinc/88/71/75/558887175.db2.gz ZRNIKFAYXQTFOG-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)cc1 ZINC000033130789 558887179 /nfs/dbraw/zinc/88/71/79/558887179.db2.gz WGBMKIGYHFSIHX-UHFFFAOYSA-N 0 0 420.856 5.314 50 0 HKAARN COc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)c(OC)c1 ZINC000033130790 558887193 /nfs/dbraw/zinc/88/71/93/558887193.db2.gz QBOPWOGPKHQZKP-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COc1cc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)cc(OC)c1 ZINC000033130791 558887195 /nfs/dbraw/zinc/88/71/95/558887195.db2.gz QCOWPHORIZEDLE-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1c2cc(Cl)ccc2[nH]c1-c1ccncc1 ZINC000033130792 558887220 /nfs/dbraw/zinc/88/72/20/558887220.db2.gz SDZTXOLXCFKEHK-UHFFFAOYSA-N 0 0 406.873 5.844 50 0 HKAARN COc1cccc(CNC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)c1 ZINC000033130794 558887187 /nfs/dbraw/zinc/88/71/87/558887187.db2.gz IEBUCYJERMSTOH-UHFFFAOYSA-N 0 0 406.873 5.214 50 0 HKAARN O=C(Nc1c2cc(Cl)ccc2[nH]c1-c1ccncc1)Nc1ccc2c(c1)OCO2 ZINC000033130795 558887182 /nfs/dbraw/zinc/88/71/82/558887182.db2.gz SLFIHBIMSKKQCS-UHFFFAOYSA-N 0 0 406.829 5.256 50 0 HKAARN CSc1cccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)c1 ZINC000033130797 558887335 /nfs/dbraw/zinc/88/73/35/558887335.db2.gz VERGKGUOLDPMQZ-UHFFFAOYSA-N 0 0 408.914 6.249 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1ccncc1 ZINC000033130801 558887303 /nfs/dbraw/zinc/88/73/03/558887303.db2.gz MHNXHIMKKHKXLU-UHFFFAOYSA-N 0 0 410.836 5.675 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)c1 ZINC000033130802 558887299 /nfs/dbraw/zinc/88/72/99/558887299.db2.gz XOUUWKXCJWOBDM-UHFFFAOYSA-N 0 0 406.417 5.030 50 0 HKAARN COc1cc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)cc(OC)c1 ZINC000033130810 558887315 /nfs/dbraw/zinc/88/73/15/558887315.db2.gz MDDOHZIRABTSTD-UHFFFAOYSA-N 0 0 406.417 5.030 50 0 HKAARN COc1ccc(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)cc1OC ZINC000033130817 558887350 /nfs/dbraw/zinc/88/73/50/558887350.db2.gz OTJVNLABLQNFFE-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)c1 ZINC000033130818 558887376 /nfs/dbraw/zinc/88/73/76/558887376.db2.gz BMZVCBHXQBPHDN-UHFFFAOYSA-N 0 0 422.872 5.545 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1c2cccc(Cl)c2[nH]c1-c1ccncc1 ZINC000033130821 558887325 /nfs/dbraw/zinc/88/73/25/558887325.db2.gz BXJGDUCMQZRILE-UHFFFAOYSA-N 0 0 406.873 5.926 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)cc1 ZINC000033130826 558887357 /nfs/dbraw/zinc/88/73/57/558887357.db2.gz LDYPPOHXKLPIAJ-UHFFFAOYSA-N 0 0 420.856 5.314 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1c2cccc(Cl)c2[nH]c1-c1ccncc1 ZINC000033130829 558887367 /nfs/dbraw/zinc/88/73/67/558887367.db2.gz COGCEJPSSCIEEB-UHFFFAOYSA-N 0 0 406.873 5.844 50 0 HKAARN COc1cccc(CNC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)c1 ZINC000033130830 568511286 /nfs/dbraw/zinc/51/12/86/568511286.db2.gz GRSIDWFXCFUQMF-UHFFFAOYSA-N 0 0 406.873 5.214 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)nn1 ZINC000033130850 558887288 /nfs/dbraw/zinc/88/72/88/558887288.db2.gz MBVZINOISFLLMY-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN CCCN(CCC)C(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130854 558887361 /nfs/dbraw/zinc/88/73/61/558887361.db2.gz FUYDPKLCDXGUNW-UHFFFAOYSA-N 0 0 405.498 5.207 50 0 HKAARN CCCCN(CC)C(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130857 558887293 /nfs/dbraw/zinc/88/72/93/558887293.db2.gz HYWMQHZFTFXVAC-UHFFFAOYSA-N 0 0 405.498 5.207 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3ccccc3C)cc2)nn1 ZINC000033130861 558887328 /nfs/dbraw/zinc/88/73/28/558887328.db2.gz QXFPPWYUPSZVJV-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)nn1 ZINC000033130865 558887305 /nfs/dbraw/zinc/88/73/05/558887305.db2.gz LXZJVSHJOQYRMV-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3)cc2)nn1 ZINC000033130867 558887390 /nfs/dbraw/zinc/88/73/90/558887390.db2.gz PXHNSGLDPNDECC-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)nn1 ZINC000033130872 558887320 /nfs/dbraw/zinc/88/73/20/558887320.db2.gz GZDGXQGTLWADCO-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)nn1 ZINC000033130876 558887385 /nfs/dbraw/zinc/88/73/85/558887385.db2.gz DVAZQYUSCFUUJK-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)nn2)c1 ZINC000033130909 558887393 /nfs/dbraw/zinc/88/73/93/558887393.db2.gz OTXWOPMWWWDYOD-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130932 558887382 /nfs/dbraw/zinc/88/73/82/558887382.db2.gz TVGBIFIPFFHSNH-UHFFFAOYSA-N 0 0 417.484 5.695 50 0 HKAARN COc1cccc(NC(=O)c2ccc(-c3ccc(Oc4ccc(F)cc4)nn3)cc2)c1 ZINC000033130936 558887341 /nfs/dbraw/zinc/88/73/41/558887341.db2.gz WPHIEFZXABQBDE-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130938 558887309 /nfs/dbraw/zinc/88/73/09/558887309.db2.gz WMMKQXDTNRPIEO-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Oc4ccc(F)cc4)nn3)cc2)cc1 ZINC000033130943 558887331 /nfs/dbraw/zinc/88/73/31/558887331.db2.gz QVUZZIGSHMMBDK-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)nn2)cc1 ZINC000033130986 558887553 /nfs/dbraw/zinc/88/75/53/558887553.db2.gz XZSSGWCKEQIZRD-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nn2)cc1 ZINC000033130991 558887549 /nfs/dbraw/zinc/88/75/49/558887549.db2.gz KDHWCWLTJIBPCW-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NC3CCCCC3)c2)nn1 ZINC000033131010 558887575 /nfs/dbraw/zinc/88/75/75/558887575.db2.gz GAWHGNUISVPCDD-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3ccccc3C)c2)nn1 ZINC000033131018 558887545 /nfs/dbraw/zinc/88/75/45/558887545.db2.gz ANXJKPYETQLDSR-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3cccc(F)c3)c2)nn1 ZINC000033131021 558887572 /nfs/dbraw/zinc/88/75/72/558887572.db2.gz QIEULFBVNDFQLN-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3ccc(F)cc3)c2)nn1 ZINC000033131026 558887565 /nfs/dbraw/zinc/88/75/65/558887565.db2.gz MNRAWZDVUAJJST-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3ccc(C)cc3)c2)nn1 ZINC000033131030 558887558 /nfs/dbraw/zinc/88/75/58/558887558.db2.gz JWZLPBBLJPCRKJ-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)nn2)c1 ZINC000033131058 558887563 /nfs/dbraw/zinc/88/75/63/558887563.db2.gz GLFPRIJKKLJWIH-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000033131078 558887535 /nfs/dbraw/zinc/88/75/35/558887535.db2.gz MWBYOOFIZVWIOC-UHFFFAOYSA-N 0 0 417.484 5.695 50 0 HKAARN COc1cccc(NC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)c1 ZINC000033131081 558887567 /nfs/dbraw/zinc/88/75/67/558887567.db2.gz WOJMRVJBKGUWDB-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000033131083 558887574 /nfs/dbraw/zinc/88/75/74/558887574.db2.gz ZTUBLSNEVYDGKX-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(NC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)cc1 ZINC000033131087 558887588 /nfs/dbraw/zinc/88/75/88/558887588.db2.gz OXFBUIKTHBWEFM-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000033137057 558888405 /nfs/dbraw/zinc/88/84/05/558888405.db2.gz OKQGCOAKKDSDHJ-UHFFFAOYSA-N 0 0 424.819 5.277 50 0 HKAARN CCCCOc1ccc(CNC(=O)c2csc(Nc3ccc(C)cc3C)n2)cc1 ZINC000033138799 558888877 /nfs/dbraw/zinc/88/88/77/558888877.db2.gz HZPRSRWDZGQLPT-UHFFFAOYSA-N 0 0 409.555 5.612 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Oc3ccnc(-c4cccc(C)c4)n3)c2)c1 ZINC000033139089 558889008 /nfs/dbraw/zinc/88/90/08/558889008.db2.gz XKXMYRNBUCZEDI-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN Cc1cccc(-c2nccc(Oc3cccc(C(=O)NCCc4ccccc4)c3)n2)c1 ZINC000033139092 558888960 /nfs/dbraw/zinc/88/89/60/558888960.db2.gz ITNMBCSLPRYLJD-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139104 558888967 /nfs/dbraw/zinc/88/89/67/558888967.db2.gz RHFBMEBXKAFMJT-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139107 558889001 /nfs/dbraw/zinc/88/90/01/558889001.db2.gz ZESQYWFCOSYBNO-UHFFFAOYSA-N 0 0 413.452 5.890 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033139111 558889028 /nfs/dbraw/zinc/88/90/28/558889028.db2.gz HCSWOTKMUHWRQL-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139112 558888956 /nfs/dbraw/zinc/88/89/56/558888956.db2.gz GUPDYZXFUYHTLP-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139120 558888995 /nfs/dbraw/zinc/88/89/95/558888995.db2.gz REJMHNYZCBUKMC-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN CN(C(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1)C1CCCCC1 ZINC000033139124 558888990 /nfs/dbraw/zinc/88/89/90/558888990.db2.gz NXGAIZXCGLBPQK-UHFFFAOYSA-N 0 0 405.473 5.480 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139125 558888998 /nfs/dbraw/zinc/88/89/98/558888998.db2.gz GCLFKXGFCBHOKL-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)c(C)c1 ZINC000033139126 558888970 /nfs/dbraw/zinc/88/89/70/558888970.db2.gz ZDWQWTVYUCBWQQ-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(NCCc1ccccc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139133 558889040 /nfs/dbraw/zinc/88/90/40/558889040.db2.gz HARXKFSCCVSNAY-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139134 568511306 /nfs/dbraw/zinc/51/13/06/568511306.db2.gz YPTJRIZPAPHGMG-UHFFFAOYSA-N 0 0 417.415 5.144 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139136 558888947 /nfs/dbraw/zinc/88/89/47/558888947.db2.gz BELXBYNNWLHKNL-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033139139 558889004 /nfs/dbraw/zinc/88/90/04/558889004.db2.gz NBLAYLSPSYKYRA-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139141 558889242 /nfs/dbraw/zinc/88/92/42/558889242.db2.gz IIYGNKSMIPWVCX-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NC4CCCCCC4)c3)n2)cc1 ZINC000033139159 558889175 /nfs/dbraw/zinc/88/91/75/558889175.db2.gz FCPUZPXFWPUUTI-UHFFFAOYSA-N 0 0 401.510 5.697 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCCC4=CCCCC4)c3)n2)cc1 ZINC000033139161 558889195 /nfs/dbraw/zinc/88/91/95/558889195.db2.gz PKMIVADVOYSBBA-UHFFFAOYSA-N 0 0 413.521 5.865 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)n2)cc1 ZINC000033139166 558889215 /nfs/dbraw/zinc/88/92/15/558889215.db2.gz ZISFRPXAQNDTQA-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)c1 ZINC000033139167 558889167 /nfs/dbraw/zinc/88/91/67/558889167.db2.gz YCJCQMKLCHYGGF-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1 ZINC000033139169 558889204 /nfs/dbraw/zinc/88/92/04/558889204.db2.gz HWMIUDSZARNAHK-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000033139172 558889223 /nfs/dbraw/zinc/88/92/23/558889223.db2.gz IELPQSSRISWCFK-UHFFFAOYSA-N 0 0 423.516 6.620 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)n2)cc1 ZINC000033139173 558889211 /nfs/dbraw/zinc/88/92/11/558889211.db2.gz PIPBRTKVVBPOFG-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)N(C)C4CCCCC4)c3)n2)cc1 ZINC000033139183 558889186 /nfs/dbraw/zinc/88/91/86/558889186.db2.gz BHHSSHDQDBXBBB-UHFFFAOYSA-N 0 0 401.510 5.649 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 ZINC000033139185 558889179 /nfs/dbraw/zinc/88/91/79/558889179.db2.gz YJRVKUOLAKZLBK-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)N[C@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033139190 558889231 /nfs/dbraw/zinc/88/92/31/558889231.db2.gz ZLTZCWLPTUPECW-HXUWFJFHSA-N 0 0 423.516 6.044 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)N[C@@H](C)c4ccc(C)cc4)c3)n2)cc1 ZINC000033139191 558889236 /nfs/dbraw/zinc/88/92/36/558889236.db2.gz ZLTZCWLPTUPECW-FQEVSTJZSA-N 0 0 423.516 6.044 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCCc4ccccc4)c3)n2)cc1 ZINC000033139194 558889240 /nfs/dbraw/zinc/88/92/40/558889240.db2.gz JKEFLCYBAFURIA-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 biogenic HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1 ZINC000033139195 558889235 /nfs/dbraw/zinc/88/92/35/558889235.db2.gz AACNBCNMIPLMBL-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCc4ccccc4C)c3)n2)cc1 ZINC000033139197 558889202 /nfs/dbraw/zinc/88/92/02/558889202.db2.gz FKKQCEGIIHZDPM-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCc4cccc(C)c4)c3)n2)cc1 ZINC000033139200 558889217 /nfs/dbraw/zinc/88/92/17/558889217.db2.gz HQYGKCQWIORHFE-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033139202 558889182 /nfs/dbraw/zinc/88/91/82/558889182.db2.gz XNCCAVVIFPDRCQ-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139213 558890492 /nfs/dbraw/zinc/89/04/92/558890492.db2.gz SIVYMRJKFQDXIZ-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Oc3ccnc(-c4cccc(F)c4)n3)c2)c1 ZINC000033139215 558890425 /nfs/dbraw/zinc/89/04/25/558890425.db2.gz MRWOQZXASYNBQA-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(NCCc1ccccc1)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139219 568511279 /nfs/dbraw/zinc/51/12/79/568511279.db2.gz RZEONFCIAFHECW-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033139220 558890449 /nfs/dbraw/zinc/89/04/49/558890449.db2.gz PFLZCUGLXAOMRD-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NC3CCCCCC3)cc2)nc1 ZINC000033139236 558890437 /nfs/dbraw/zinc/89/04/37/558890437.db2.gz QNTQKEWZSXTCJO-UHFFFAOYSA-N 0 0 401.510 5.697 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCCC3=CCCCC3)cc2)nc1 ZINC000033139237 558890490 /nfs/dbraw/zinc/89/04/90/558890490.db2.gz BSFZEPUBHMIMRM-UHFFFAOYSA-N 0 0 413.521 5.865 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139239 558890471 /nfs/dbraw/zinc/89/04/71/558890471.db2.gz ZXMVXCYQOPLOPA-UHFFFAOYSA-N 0 0 409.489 6.059 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c1 ZINC000033139241 558890462 /nfs/dbraw/zinc/89/04/62/558890462.db2.gz ABPIZGOPAPOZSE-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c1 ZINC000033139242 558890488 /nfs/dbraw/zinc/89/04/88/558890488.db2.gz CAKBLUSURKWPGX-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)nc1 ZINC000033139245 558890662 /nfs/dbraw/zinc/89/06/62/558890662.db2.gz WYLTVIJGRVEABN-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)nc1 ZINC000033139248 558890584 /nfs/dbraw/zinc/89/05/84/558890584.db2.gz VWAPXKXXLRYMHF-UHFFFAOYSA-N 0 0 423.516 6.620 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1C ZINC000033139249 558890613 /nfs/dbraw/zinc/89/06/13/558890613.db2.gz GIPGBPRZCBHTHA-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)N(C)C3CCCCC3)cc2)nc1 ZINC000033139260 558890587 /nfs/dbraw/zinc/89/05/87/558890587.db2.gz XBMXPMIEANHFKC-UHFFFAOYSA-N 0 0 401.510 5.649 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)nc1 ZINC000033139262 558890621 /nfs/dbraw/zinc/89/06/21/558890621.db2.gz OHNGGUXNYPYWRF-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c(C)c1 ZINC000033139263 558890601 /nfs/dbraw/zinc/89/06/01/558890601.db2.gz CDLFYFBRTSEYOR-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139267 558890647 /nfs/dbraw/zinc/89/06/47/558890647.db2.gz ICKSPJAMESBJQO-HXUWFJFHSA-N 0 0 423.516 6.044 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139268 558890595 /nfs/dbraw/zinc/89/05/95/558890595.db2.gz ICKSPJAMESBJQO-FQEVSTJZSA-N 0 0 423.516 6.044 50 0 HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCCc3ccccc3)cc2)nc1 ZINC000033139272 558890598 /nfs/dbraw/zinc/89/05/98/558890598.db2.gz QGRSNWLYMOKOHT-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 biogenic HKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc1 ZINC000033139274 558890660 /nfs/dbraw/zinc/89/06/60/558890660.db2.gz NPNPZYWMQDJWQU-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2ncc(-c3ccccc3C)cn2)cc1 ZINC000033139276 558890630 /nfs/dbraw/zinc/89/06/30/558890630.db2.gz WPFKONGFARJDEI-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)c1 ZINC000033139279 558890639 /nfs/dbraw/zinc/89/06/39/558890639.db2.gz WFRAKTOLSVQYCC-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139281 558890665 /nfs/dbraw/zinc/89/06/65/558890665.db2.gz RKGQQNCECAKEDA-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Oc2ncc(-c3ccc(F)cc3)cn2)cc1 ZINC000033139288 558890607 /nfs/dbraw/zinc/89/06/07/558890607.db2.gz JCKUSXCINHJVGV-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2ncc(-c3ccc(F)cc3)cn2)cc1 ZINC000033139293 558890656 /nfs/dbraw/zinc/89/06/56/558890656.db2.gz HFGYUZUCKGWVLP-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NC4CCCCCC4)cc3)nc2)cc1 ZINC000033139302 558890592 /nfs/dbraw/zinc/89/05/92/558890592.db2.gz JGKHDYSNBAYXTD-UHFFFAOYSA-N 0 0 401.510 5.697 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCCC4=CCCCC4)cc3)nc2)cc1 ZINC000033139303 558890628 /nfs/dbraw/zinc/89/06/28/558890628.db2.gz CYLGDOGJEHJZGR-UHFFFAOYSA-N 0 0 413.521 5.865 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1 ZINC000033139304 558890617 /nfs/dbraw/zinc/89/06/17/558890617.db2.gz CHFDHMANDOFHBY-UHFFFAOYSA-N 0 0 409.489 6.059 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)nc2)cc1 ZINC000033139308 558890641 /nfs/dbraw/zinc/89/06/41/558890641.db2.gz BXYDVVHXQIFSMW-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)c1 ZINC000033139309 558890590 /nfs/dbraw/zinc/89/05/90/558890590.db2.gz KMZCVVQNTKLMOI-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)nc2)cc1 ZINC000033139312 568511325 /nfs/dbraw/zinc/51/13/25/568511325.db2.gz ZVMUAWLADLAYDS-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)nc2)cc1 ZINC000033139313 558890618 /nfs/dbraw/zinc/89/06/18/558890618.db2.gz XNUCSDCRCJCDTG-UHFFFAOYSA-N 0 0 423.516 6.620 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)nc2)cc1 ZINC000033139314 558890579 /nfs/dbraw/zinc/89/05/79/558890579.db2.gz NJRAWZGHXMRPDQ-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)N(C)C4CCCCC4)cc3)nc2)cc1 ZINC000033139325 558890644 /nfs/dbraw/zinc/89/06/44/558890644.db2.gz DGYFMWBPLIFTMX-UHFFFAOYSA-N 0 0 401.510 5.649 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc2)cc1 ZINC000033139328 558890671 /nfs/dbraw/zinc/89/06/71/558890671.db2.gz SHFIZHLGVAGNOL-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)nc2)cc1 ZINC000033139329 558890624 /nfs/dbraw/zinc/89/06/24/558890624.db2.gz KTUBKMYZNYVIJS-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCCc4ccccc4)cc3)nc2)cc1 ZINC000033139335 558890842 /nfs/dbraw/zinc/89/08/42/558890842.db2.gz GKSBZBKWFJUBOH-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 biogenic HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCc4ccc(F)cc4)cc3)nc2)cc1 ZINC000033139336 558890850 /nfs/dbraw/zinc/89/08/50/558890850.db2.gz HMJNRJJVZOWCED-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCc4ccccc4C)cc3)nc2)cc1 ZINC000033139338 558890866 /nfs/dbraw/zinc/89/08/66/558890866.db2.gz BMMVRFAPYZBAKL-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCc4cccc(C)c4)cc3)nc2)cc1 ZINC000033139341 558890859 /nfs/dbraw/zinc/89/08/59/558890859.db2.gz KZPCZRZBCHADOV-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1 ZINC000033139343 558890902 /nfs/dbraw/zinc/89/09/02/558890902.db2.gz DMMUTEAQWBCREX-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)cc1 ZINC000033139570 558891141 /nfs/dbraw/zinc/89/11/41/558891141.db2.gz MIAIRYHXHWIZAP-UHFFFAOYSA-N 0 0 420.900 5.200 50 0 HKAARN Cc1ccc(-c2nc(C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)no2)cc1 ZINC000033139571 568511297 /nfs/dbraw/zinc/51/12/97/568511297.db2.gz IHFXYQUPIDDNEX-UHFFFAOYSA-N 0 0 415.415 5.084 50 0 HKAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)no2)c1 ZINC000033139584 558891087 /nfs/dbraw/zinc/89/10/87/558891087.db2.gz UWGLLZWPTNSZAG-UHFFFAOYSA-N 0 0 415.415 5.084 50 0 HKAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)c1 ZINC000033139585 558891098 /nfs/dbraw/zinc/89/10/98/558891098.db2.gz USFCWRAKFBASPI-UHFFFAOYSA-N 0 0 420.900 5.200 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000033139595 558891170 /nfs/dbraw/zinc/89/11/70/558891170.db2.gz XQRNLCHXRUXGHB-UHFFFAOYSA-N 0 0 420.271 5.202 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000033139596 558891092 /nfs/dbraw/zinc/89/10/92/558891092.db2.gz MJSOVSPIHRSLOU-UHFFFAOYSA-N 0 0 420.271 5.202 50 0 HKAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000033139609 558891371 /nfs/dbraw/zinc/89/13/71/558891371.db2.gz MJVMCYMIQUNCKH-UHFFFAOYSA-N 0 0 407.945 5.223 50 0 HKAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033139625 132777305 /nfs/dbraw/zinc/77/73/05/132777305.db2.gz BHINQEXJLXJBIE-UHFFFAOYSA-N 0 0 407.945 5.223 50 0 HKAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033139637 558891344 /nfs/dbraw/zinc/89/13/44/558891344.db2.gz VQLDDOCIQNOWKN-UHFFFAOYSA-N 0 0 407.945 5.223 50 0 HKAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000033139638 132777313 /nfs/dbraw/zinc/77/73/13/132777313.db2.gz SNBUZVBMZSXWNX-UHFFFAOYSA-N 0 0 401.554 5.186 50 0 HKAARN CC[C@@H](C)NC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139867 558891698 /nfs/dbraw/zinc/89/16/98/558891698.db2.gz WLAVMEVIJNBEJA-CQSZACIVSA-N 0 0 413.930 5.602 50 0 HKAARN CC[C@H](C)NC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139868 558891574 /nfs/dbraw/zinc/89/15/74/558891574.db2.gz WLAVMEVIJNBEJA-AWEZNQCLSA-N 0 0 413.930 5.602 50 0 HKAARN O=C(c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000033139880 558891565 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Cc1cc(Cl)ccc1NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141954 524890806 /nfs/dbraw/zinc/89/08/06/524890806.db2.gz SKTDFZOJTVEVGT-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141955 524740232 /nfs/dbraw/zinc/74/02/32/524740232.db2.gz RFGGLUOIHDKKQP-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141961 525762607 /nfs/dbraw/zinc/76/26/07/525762607.db2.gz MZAMUVZYMOEVPN-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1 ZINC000033141967 519836886 /nfs/dbraw/zinc/83/68/86/519836886.db2.gz OCZOANCKONCSGU-UHFFFAOYSA-N 0 0 416.525 5.247 50 0 HKAARN CC(C)c1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1 ZINC000033141984 519841579 /nfs/dbraw/zinc/84/15/79/519841579.db2.gz XJUSXMGRRLAICF-UHFFFAOYSA-N 0 0 416.525 5.247 50 0 HKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000033142032 524790630 /nfs/dbraw/zinc/79/06/30/524790630.db2.gz 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Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000033168739 558898140 /nfs/dbraw/zinc/89/81/40/558898140.db2.gz FZJQMXUEOTUNCF-IBGZPJMESA-N 0 0 418.566 5.100 50 0 HKAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168778 558898419 /nfs/dbraw/zinc/89/84/19/558898419.db2.gz CVZGUCFBZVGVMB-LJQANCHMSA-N 0 0 418.566 5.045 50 0 HKAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168779 558898368 /nfs/dbraw/zinc/89/83/68/558898368.db2.gz CVZGUCFBZVGVMB-IBGZPJMESA-N 0 0 418.566 5.045 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1C ZINC000033168810 558898363 /nfs/dbraw/zinc/89/83/63/558898363.db2.gz SUYFSJCHYSHHTM-LJQANCHMSA-N 0 0 418.566 5.100 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1C ZINC000033168811 558898416 /nfs/dbraw/zinc/89/84/16/558898416.db2.gz SUYFSJCHYSHHTM-IBGZPJMESA-N 0 0 418.566 5.100 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c1 ZINC000033168818 558898422 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COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)cc1Cl ZINC000033168951 558898614 /nfs/dbraw/zinc/89/86/14/558898614.db2.gz XXVSBVGMGMAVGS-UHFFFAOYSA-N 0 0 417.943 5.021 50 0 HKAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1 ZINC000033169034 558898841 /nfs/dbraw/zinc/89/88/41/558898841.db2.gz KGBDLDJURBMXPQ-UHFFFAOYSA-N 0 0 400.912 5.418 50 0 HKAARN Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169050 558898773 /nfs/dbraw/zinc/89/87/73/558898773.db2.gz BLAZUHMTCXMBEO-UHFFFAOYSA-N 0 0 414.939 5.726 50 0 HKAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169110 558898796 /nfs/dbraw/zinc/89/87/96/558898796.db2.gz QOZKZTCSSDPXJU-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000033169113 558898862 /nfs/dbraw/zinc/89/88/62/558898862.db2.gz SDQDBDFPRDJLQC-UHFFFAOYSA-N 0 0 414.939 5.726 50 0 HKAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033169116 526244103 /nfs/dbraw/zinc/24/41/03/526244103.db2.gz TVEWUZUYOWNTNO-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033169122 526055073 /nfs/dbraw/zinc/05/50/73/526055073.db2.gz WLLBIMXJRAOFGS-UHFFFAOYSA-N 0 0 422.575 6.196 50 0 HKAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169125 524016931 /nfs/dbraw/zinc/01/69/31/524016931.db2.gz LIJLLZKKZHYKNP-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C ZINC000033169129 524325122 /nfs/dbraw/zinc/32/51/22/524325122.db2.gz AROJNBFVPHLBSC-UHFFFAOYSA-N 0 0 422.575 5.998 50 0 HKAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169131 518409173 /nfs/dbraw/zinc/40/91/73/518409173.db2.gz CEGUZEZAOUFJTI-UHFFFAOYSA-N 0 0 422.531 5.275 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1F ZINC000033169133 525595326 /nfs/dbraw/zinc/59/53/26/525595326.db2.gz WODOKTPPWZATFR-UHFFFAOYSA-N 0 0 412.511 5.520 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000033169134 526054863 /nfs/dbraw/zinc/05/48/63/526054863.db2.gz RTYTXHWDSKLZSG-UHFFFAOYSA-N 0 0 420.559 5.561 50 0 HKAARN Cc1ccc(CS(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C ZINC000033169137 524640109 /nfs/dbraw/zinc/64/01/09/524640109.db2.gz NTUXCHJTLKTVTP-UHFFFAOYSA-N 0 0 422.575 5.830 50 0 HKAARN Cc1ccc(C)c(CS(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033169138 524106833 /nfs/dbraw/zinc/10/68/33/524106833.db2.gz PPRNCDYREXRYKB-UHFFFAOYSA-N 0 0 422.575 5.830 50 0 HKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000033169139 526054219 /nfs/dbraw/zinc/05/42/19/526054219.db2.gz STORTNLNJDUUEJ-UHFFFAOYSA-N 0 0 412.511 5.353 50 0 HKAARN CCCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169142 521412910 /nfs/dbraw/zinc/41/29/10/521412910.db2.gz LBWNGARBRYCFBK-UHFFFAOYSA-N 0 0 408.548 5.717 50 0 HKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169144 519046349 /nfs/dbraw/zinc/04/63/49/519046349.db2.gz IBQAGAMYXHQGNF-UHFFFAOYSA-N 0 0 422.575 6.062 50 0 HKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169146 519838723 /nfs/dbraw/zinc/83/87/23/519838723.db2.gz SMCOWBJZAQGACJ-UHFFFAOYSA-N 0 0 408.548 5.888 50 0 HKAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)CCC2 ZINC000033169150 527245918 /nfs/dbraw/zinc/24/59/18/527245918.db2.gz JQTKNKACZWLDSN-UHFFFAOYSA-N 0 0 406.532 5.253 50 0 HKAARN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169152 527192696 /nfs/dbraw/zinc/19/26/96/527192696.db2.gz DFKMMVFPNLGCKC-UHFFFAOYSA-N 0 0 414.939 5.559 50 0 HKAARN O=S(=O)(Cc1cc(F)cc(F)c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169153 527190272 /nfs/dbraw/zinc/19/02/72/527190272.db2.gz FWNQPGDPYTXMHY-UHFFFAOYSA-N 0 0 416.474 5.183 50 0 HKAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000033169159 526244109 /nfs/dbraw/zinc/24/41/09/526244109.db2.gz CHZUCJLNWGCKFH-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)sc2c1 ZINC000033169168 526242205 /nfs/dbraw/zinc/24/22/05/526242205.db2.gz YLJDDIYDXNONMN-UHFFFAOYSA-N 0 0 422.575 5.998 50 0 HKAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000033169169 518409583 /nfs/dbraw/zinc/40/95/83/518409583.db2.gz IOIRYVSVMIMXII-UHFFFAOYSA-N 0 0 422.531 5.275 50 0 HKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000033169170 521930267 /nfs/dbraw/zinc/93/02/67/521930267.db2.gz ONSLCNYMQHLZDS-UHFFFAOYSA-N 0 0 408.548 5.635 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3)sc2c1 ZINC000033169171 526242175 /nfs/dbraw/zinc/24/21/75/526242175.db2.gz WAFNYDLTUUNQLH-UHFFFAOYSA-N 0 0 408.548 5.689 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(F)c4)cc3)sc2c1 ZINC000033169172 526242163 /nfs/dbraw/zinc/24/21/63/526242163.db2.gz VTJRCVIWTAFEOG-UHFFFAOYSA-N 0 0 412.511 5.520 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCC5)cc3)sc2c1 ZINC000033169173 526242503 /nfs/dbraw/zinc/24/25/03/526242503.db2.gz ZVWGUEDXXMHMDR-UHFFFAOYSA-N 0 0 420.559 5.561 50 0 HKAARN Cc1ccc(CS(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000033169175 524639140 /nfs/dbraw/zinc/63/91/40/524639140.db2.gz IPFXBHKPCMRVMA-UHFFFAOYSA-N 0 0 408.548 5.522 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccc(C)c(C)c4)cc3)sc2c1 ZINC000033169177 526242464 /nfs/dbraw/zinc/24/24/64/526242464.db2.gz ACWGSTHIHUREAD-UHFFFAOYSA-N 0 0 422.575 5.830 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cc(C)ccc4C)cc3)sc2c1 ZINC000033169178 526242419 /nfs/dbraw/zinc/24/24/19/526242419.db2.gz YSHQYPGMSCHGJU-UHFFFAOYSA-N 0 0 422.575 5.830 50 0 HKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4cccc(F)c4)cc3)sc2c1 ZINC000033169179 526241854 /nfs/dbraw/zinc/24/18/54/526241854.db2.gz HUXLCKPDDLRXPR-UHFFFAOYSA-N 0 0 412.511 5.353 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)sc2c1 ZINC000033169187 558898977 /nfs/dbraw/zinc/89/89/77/558898977.db2.gz RDFASKFJWKVBDO-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)sc2c1 ZINC000033169202 558899027 /nfs/dbraw/zinc/89/90/27/558899027.db2.gz QVGSLHKWEYNPHM-UHFFFAOYSA-N 0 0 424.547 5.390 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)sc2c1 ZINC000033169215 569059293 /nfs/dbraw/zinc/05/92/93/569059293.db2.gz GDMXCGOEGCYGAP-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3)sc2c1 ZINC000033169220 558897933 /nfs/dbraw/zinc/89/79/33/558897933.db2.gz CPCPLRDTRJNPCC-UHFFFAOYSA-N 0 0 424.547 5.390 50 0 HKAARN O=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1)c1ccc(F)cc1 ZINC000033169236 558897962 /nfs/dbraw/zinc/89/79/62/558897962.db2.gz CLVATKDYVQOXDJ-UHFFFAOYSA-N 0 0 418.902 5.557 50 0 HKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169239 568511594 /nfs/dbraw/zinc/51/15/94/568511594.db2.gz UIRHWEVCSTVKLZ-UHFFFAOYSA-N 0 0 414.939 5.726 50 0 HKAARN CC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169254 558898942 /nfs/dbraw/zinc/89/89/42/558898942.db2.gz KVRMOTNEAPYPAG-UHFFFAOYSA-N 0 0 401.491 6.118 50 0 HKAARN COc1cccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033169256 558898943 /nfs/dbraw/zinc/89/89/43/558898943.db2.gz GZHSKKPYYDQBQR-UHFFFAOYSA-N 0 0 403.507 5.602 50 0 HKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000033169270 568511564 /nfs/dbraw/zinc/51/15/64/568511564.db2.gz UYAGWUUNDCEHGC-UHFFFAOYSA-N 0 0 400.434 5.278 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1OC ZINC000033169274 558899757 /nfs/dbraw/zinc/89/97/57/558899757.db2.gz CTWHLLJTQUEMBK-UHFFFAOYSA-N 0 0 400.434 5.278 50 0 HKAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169292 558902564 /nfs/dbraw/zinc/90/25/64/558902564.db2.gz UCYJGIAYSMZAAH-UHFFFAOYSA-N 0 0 412.489 5.815 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)COc4ccccc4C)cc3)n2)c1 ZINC000033169300 568511593 /nfs/dbraw/zinc/51/15/93/568511593.db2.gz LVWXGKRZPZJUKP-UHFFFAOYSA-N 0 0 412.489 5.951 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169301 558902569 /nfs/dbraw/zinc/90/25/69/558902569.db2.gz MCMLBFCTQALVLA-UHFFFAOYSA-N 0 0 412.489 5.951 50 0 HKAARN COc1cccc(CC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169308 558902552 /nfs/dbraw/zinc/90/25/52/558902552.db2.gz MKNGWKMSCXGOAB-UHFFFAOYSA-N 0 0 412.489 5.815 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)n2)c1 ZINC000033169312 558902567 /nfs/dbraw/zinc/90/25/67/558902567.db2.gz SLTSEGMZALBWMC-UHFFFAOYSA-N 0 0 416.452 5.782 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000033169314 558902560 /nfs/dbraw/zinc/90/25/60/558902560.db2.gz GIIIWPJQPUPXTP-UHFFFAOYSA-N 0 0 415.449 5.670 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000033169315 558902580 /nfs/dbraw/zinc/90/25/80/558902580.db2.gz PQFHQRJIEURJHU-UHFFFAOYSA-N 0 0 419.868 6.315 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl ZINC000033169316 558902553 /nfs/dbraw/zinc/90/25/53/558902553.db2.gz AEYPTHQHXMGSGU-UHFFFAOYSA-N 0 0 403.869 6.614 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccccc1C(F)(F)F ZINC000033169318 558902577 /nfs/dbraw/zinc/90/25/77/558902577.db2.gz WHKYPZAFSLVPID-UHFFFAOYSA-N 0 0 423.394 6.671 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000033169323 558902549 /nfs/dbraw/zinc/90/25/49/558902549.db2.gz SZHQMNPXYZOIOT-UHFFFAOYSA-N 0 0 403.869 6.614 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1 ZINC000033169332 558902557 /nfs/dbraw/zinc/90/25/57/558902557.db2.gz XFJRSDBXSKGCIM-UHFFFAOYSA-N 0 0 413.433 5.439 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c(OC)c1 ZINC000033169334 558902545 /nfs/dbraw/zinc/90/25/45/558902545.db2.gz VUVMOIFXIJTYFM-UHFFFAOYSA-N 0 0 415.449 5.670 50 0 HKAARN COc1cc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc(OC)c1 ZINC000033169335 558902550 /nfs/dbraw/zinc/90/25/50/558902550.db2.gz LUNLSCJTAAQOSF-UHFFFAOYSA-N 0 0 415.449 5.670 50 0 HKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000033169336 558902551 /nfs/dbraw/zinc/90/25/51/558902551.db2.gz GVIOWKMGNOHXHN-UHFFFAOYSA-N 0 0 423.394 6.671 50 0 HKAARN CSc1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000033169345 558902561 /nfs/dbraw/zinc/90/25/61/558902561.db2.gz RLPUOTCZYPLRBW-UHFFFAOYSA-N 0 0 401.491 6.375 50 0 HKAARN COC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000033169350 558902562 /nfs/dbraw/zinc/90/25/62/558902562.db2.gz FHJWNWIICCWDKC-UHFFFAOYSA-N 0 0 413.433 5.439 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl ZINC000033169354 558902559 /nfs/dbraw/zinc/90/25/59/558902559.db2.gz XFNDXUPRCUZDKS-UHFFFAOYSA-N 0 0 419.868 6.315 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000033169357 558902574 /nfs/dbraw/zinc/90/25/74/558902574.db2.gz JKNHDUGYEWDROE-UHFFFAOYSA-N 0 0 413.477 6.278 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3C)co2)cc1 ZINC000033169358 558902555 /nfs/dbraw/zinc/90/25/55/558902555.db2.gz SRCOLGZSKOMNFL-UHFFFAOYSA-N 0 0 413.477 6.278 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)n2)c(C)c1 ZINC000033169361 558902546 /nfs/dbraw/zinc/90/25/46/558902546.db2.gz WMLBRIJFQYKPMN-UHFFFAOYSA-N 0 0 415.468 6.717 50 0 HKAARN Cc1ccc(CNC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000033169364 558902556 /nfs/dbraw/zinc/90/25/56/558902556.db2.gz CUUKIJNWJWAVOW-UHFFFAOYSA-N 0 0 411.505 6.256 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)n2)c(C)c1 ZINC000033169365 558902554 /nfs/dbraw/zinc/90/25/54/558902554.db2.gz FFLMDBFOQPZBCR-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)NCCc4ccccc4)cc3)n2)c(C)c1 ZINC000033169368 558902547 /nfs/dbraw/zinc/90/25/47/558902547.db2.gz WIOLEYPQAMORFN-UHFFFAOYSA-N 0 0 411.505 5.990 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)n2)c(C)c1 ZINC000033169370 558902571 /nfs/dbraw/zinc/90/25/71/558902571.db2.gz FOWHLJFJAHSOCL-UHFFFAOYSA-N 0 0 419.431 6.548 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)NCc4ccc(F)cc4)cc3)n2)c(C)c1 ZINC000033169374 558902543 /nfs/dbraw/zinc/90/25/43/558902543.db2.gz MEWYQMCBVVJLEU-UHFFFAOYSA-N 0 0 415.468 6.086 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)n2)c(C)c1 ZINC000033169375 568511583 /nfs/dbraw/zinc/51/15/83/568511583.db2.gz JLESWOBXNWBMGK-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)NCc4cccc(F)c4)cc3)n2)c(C)c1 ZINC000033169379 558902568 /nfs/dbraw/zinc/90/25/68/558902568.db2.gz TVIVNGUOUDLJAO-UHFFFAOYSA-N 0 0 415.468 6.086 50 0 HKAARN Cc1ccc(-c2coc(-c3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)n2)c(C)c1 ZINC000033169380 558902558 /nfs/dbraw/zinc/90/25/58/558902558.db2.gz RRWRDNPLEDMBQX-UHFFFAOYSA-N 0 0 419.431 6.548 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)n2)c1 ZINC000033169384 558902548 /nfs/dbraw/zinc/90/25/48/558902548.db2.gz JTAINAHWZXUCCQ-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)co2)cc1 ZINC000033169386 558902544 /nfs/dbraw/zinc/90/25/44/558902544.db2.gz JSEVZRFQMLJBQJ-UHFFFAOYSA-N 0 0 413.477 6.278 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)c1 ZINC000033169387 558902565 /nfs/dbraw/zinc/90/25/65/558902565.db2.gz BPMTZTKIWHLLAX-UHFFFAOYSA-N 0 0 413.477 6.278 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)n2)c1 ZINC000033169397 558902754 /nfs/dbraw/zinc/90/27/54/558902754.db2.gz DDBIKHWPEGOMCD-UHFFFAOYSA-N 0 0 415.468 6.717 50 0 HKAARN Cc1ccc(CNC(=O)Nc2ccc(-c3nc(-c4cc(C)ccc4C)co3)cc2)cc1 ZINC000033169401 558902762 /nfs/dbraw/zinc/90/27/62/558902762.db2.gz ZXKYLKLNKFECGA-UHFFFAOYSA-N 0 0 411.505 6.256 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)n2)c1 ZINC000033169402 558902749 /nfs/dbraw/zinc/90/27/49/558902749.db2.gz MCCUEQWKNLVEIT-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)NCCc4ccccc4)cc3)n2)c1 ZINC000033169405 558902709 /nfs/dbraw/zinc/90/27/09/558902709.db2.gz SWHBWAQABRZNBZ-UHFFFAOYSA-N 0 0 411.505 5.990 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)n2)c1 ZINC000033169407 558902770 /nfs/dbraw/zinc/90/27/70/558902770.db2.gz IBZURLQZBKGCCX-UHFFFAOYSA-N 0 0 419.431 6.548 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)NCc4ccc(F)cc4)cc3)n2)c1 ZINC000033169411 558902725 /nfs/dbraw/zinc/90/27/25/558902725.db2.gz GVIGEYOCYBTVIJ-UHFFFAOYSA-N 0 0 415.468 6.086 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)n2)c1 ZINC000033169412 558902722 /nfs/dbraw/zinc/90/27/22/558902722.db2.gz QWWBHDUYERGJND-UHFFFAOYSA-N 0 0 401.441 6.409 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)NCc4cccc(F)c4)cc3)n2)c1 ZINC000033169416 558902791 /nfs/dbraw/zinc/90/27/91/558902791.db2.gz HCHWQLSGKCGJNW-UHFFFAOYSA-N 0 0 415.468 6.086 50 0 HKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)n2)c1 ZINC000033169417 558902756 /nfs/dbraw/zinc/90/27/56/558902756.db2.gz ZVCUYLNBOWUQPQ-UHFFFAOYSA-N 0 0 419.431 6.548 50 0 HKAARN CCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033169459 558902764 /nfs/dbraw/zinc/90/27/64/558902764.db2.gz AHDFGWXQBLZSMA-UHFFFAOYSA-N 0 0 410.561 5.233 50 0 HKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(C)s2)sc1C ZINC000033169487 558902774 /nfs/dbraw/zinc/90/27/74/558902774.db2.gz UOOHKGKSJNAPHH-UHFFFAOYSA-N 0 0 406.598 5.721 50 0 HKAARN Cc1cc(-c2csc(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)c2)on1 ZINC000033169533 558902919 /nfs/dbraw/zinc/90/29/19/558902919.db2.gz NQXXIXRJGAMJRA-UHFFFAOYSA-N 0 0 422.597 5.297 50 0 HKAARN CSc1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)c1 ZINC000033169962 560546243 /nfs/dbraw/zinc/54/62/43/560546243.db2.gz WKKGHOVPRHPVCL-UHFFFAOYSA-N 0 0 406.536 5.078 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(-c3nc4cccnc4n(C4CCCC4)c3=O)cc2)c1 ZINC000033170434 568511714 /nfs/dbraw/zinc/51/17/14/568511714.db2.gz BCOPXSWGKOFENY-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1C ZINC000033170764 558903998 /nfs/dbraw/zinc/90/39/98/558903998.db2.gz DVBABJQLDLUMDL-UHFFFAOYSA-N 0 0 402.498 5.128 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 ZINC000033170765 132778296 /nfs/dbraw/zinc/77/82/96/132778296.db2.gz KUBCPVFXHJJCPP-UHFFFAOYSA-N 0 0 402.498 5.128 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000033170769 132778273 /nfs/dbraw/zinc/77/82/73/132778273.db2.gz OORQOFXIVWUKOU-UHFFFAOYSA-N 0 0 402.498 5.074 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170770 132778308 /nfs/dbraw/zinc/77/83/08/132778308.db2.gz BBVWWAMMSXJALC-UHFFFAOYSA-N 0 0 408.889 5.165 50 0 HKAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 ZINC000033170780 132778298 /nfs/dbraw/zinc/77/82/98/132778298.db2.gz WJVIGAVUTJUFMF-UHFFFAOYSA-N 0 0 420.557 5.126 50 0 HKAARN CN1c2cc(NC(=O)c3ccc(Br)cc3)ccc2Oc2ccccc2C1=O ZINC000033170913 568511703 /nfs/dbraw/zinc/51/17/03/568511703.db2.gz KVZVGIKGAOOICN-UHFFFAOYSA-N 0 0 423.266 5.084 50 0 HKAARN CN1c2cc(NC(=O)c3cccc(Br)c3)ccc2Oc2ccccc2C1=O ZINC000033170917 558903943 /nfs/dbraw/zinc/90/39/43/558903943.db2.gz UJOVKLSWJIOHDI-UHFFFAOYSA-N 0 0 423.266 5.084 50 0 HKAARN CN1c2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2Oc2ccccc2C1=O ZINC000033170921 558904027 /nfs/dbraw/zinc/90/40/27/558904027.db2.gz XYQHEGDQKFWZNL-UHFFFAOYSA-N 0 0 417.852 5.456 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)cc1 ZINC000033170928 558903980 /nfs/dbraw/zinc/90/39/80/558903980.db2.gz IYWBYJBVEGTTQB-UHFFFAOYSA-N 0 0 416.477 5.499 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)cc1F ZINC000033170931 558903952 /nfs/dbraw/zinc/90/39/52/558903952.db2.gz HERXHOGOGKAYBW-UHFFFAOYSA-N 0 0 404.441 5.547 50 0 HKAARN O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033171337 132778263 /nfs/dbraw/zinc/77/82/63/132778263.db2.gz NHZKDPFVEVGLGE-UHFFFAOYSA-N 0 0 423.969 5.303 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000033171346 558900151 /nfs/dbraw/zinc/90/01/51/558900151.db2.gz BUYKDQITPXONIW-UHFFFAOYSA-N 0 0 417.303 5.841 50 0 HKAARN O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033171347 132778262 /nfs/dbraw/zinc/77/82/62/132778262.db2.gz XKTOJNWSEONXOH-UHFFFAOYSA-N 0 0 423.969 5.303 50 0 HKAARN Cc1ccc(N2CCN(C(=O)c3ccc(-c4csc(C5CC5)n4)cc3)CC2)c(C)c1 ZINC000033171348 568511654 /nfs/dbraw/zinc/51/16/54/568511654.db2.gz QFMFQHACBOCFOU-UHFFFAOYSA-N 0 0 417.578 5.267 50 0 HKAARN O=C(NCc1ccccc1C(F)(F)F)c1sc2ncccc2c1-n1cccc1 ZINC000033171369 558900079 /nfs/dbraw/zinc/90/00/79/558900079.db2.gz JTMLDIASOPRLKB-UHFFFAOYSA-N 0 0 401.413 5.036 50 0 HKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1sc2ncccc2c1-n1cccc1 ZINC000033171370 558900099 /nfs/dbraw/zinc/90/00/99/558900099.db2.gz QECZWKNNFDSIRS-UHFFFAOYSA-N 0 0 401.413 5.036 50 0 HKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1sc2ncccc2c1-n1cccc1 ZINC000033171371 558900071 /nfs/dbraw/zinc/90/00/71/558900071.db2.gz MMAIJNQYWDCEMZ-UHFFFAOYSA-N 0 0 401.413 5.036 50 0 HKAARN Brc1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 ZINC000033171467 558900092 /nfs/dbraw/zinc/90/00/92/558900092.db2.gz QGJQMAOUMZZNTO-UHFFFAOYSA-N 0 0 404.314 5.275 50 0 HKAARN CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(C)cc4C)cs3)n2)cc1 ZINC000033171469 558900166 /nfs/dbraw/zinc/90/01/66/558900166.db2.gz NJMKGFIHQJFXTL-UHFFFAOYSA-N 0 0 405.523 5.857 50 0 HKAARN Cc1ccc(-c2csc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)cc1 ZINC000033171471 558900146 /nfs/dbraw/zinc/90/01/46/558900146.db2.gz JVARMAJXAHCDGV-UHFFFAOYSA-N 0 0 401.413 5.778 50 0 HKAARN FC(F)(F)c1cccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)c1 ZINC000033171472 558900127 /nfs/dbraw/zinc/90/01/27/558900127.db2.gz USGXFXGDWHXSDX-UHFFFAOYSA-N 0 0 421.831 6.123 50 0 HKAARN COc1ccc(-c2csc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)cc1 ZINC000033171473 558900086 /nfs/dbraw/zinc/90/00/86/558900086.db2.gz XVVYWNVPQSPZJX-UHFFFAOYSA-N 0 0 417.412 5.478 50 0 HKAARN Cc1ccc(-c2csc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)c(C)c1 ZINC000033171475 558900131 /nfs/dbraw/zinc/90/01/31/558900131.db2.gz PGAVABFHUJWLQV-UHFFFAOYSA-N 0 0 415.440 6.087 50 0 HKAARN Fc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000033171478 558900082 /nfs/dbraw/zinc/90/00/82/558900082.db2.gz CLWAPFSDKIDZFM-UHFFFAOYSA-N 0 0 405.376 5.609 50 0 HKAARN COc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 ZINC000033171479 558900142 /nfs/dbraw/zinc/90/01/42/558900142.db2.gz UAUQNOKFCFFNPA-UHFFFAOYSA-N 0 0 417.412 5.478 50 0 HKAARN COc1cccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c1 ZINC000033171484 558900093 /nfs/dbraw/zinc/90/00/93/558900093.db2.gz RWHDZIJMMUXTIH-UHFFFAOYSA-N 0 0 417.412 5.478 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1 ZINC000033171485 558900379 /nfs/dbraw/zinc/90/03/79/558900379.db2.gz OJOMCGSCMIDEFI-UHFFFAOYSA-N 0 0 421.831 6.123 50 0 HKAARN FC(F)(F)c1ccc(-c2noc(Cc3nc(-c4ccccc4Cl)cs3)n2)cc1 ZINC000033171487 558900289 /nfs/dbraw/zinc/90/02/89/558900289.db2.gz JEASWSUDFREIIH-UHFFFAOYSA-N 0 0 421.831 6.123 50 0 HKAARN Brc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 ZINC000033171490 558900306 /nfs/dbraw/zinc/90/03/06/558900306.db2.gz JLJKKLOJMLIACM-UHFFFAOYSA-N 0 0 404.314 5.275 50 0 HKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000033171943 558900745 /nfs/dbraw/zinc/90/07/45/558900745.db2.gz GMSIZZYEAPFTDS-UHFFFAOYSA-N 0 0 419.472 5.479 50 0 HKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000033171947 558900843 /nfs/dbraw/zinc/90/08/43/558900843.db2.gz ABZYUHLSDYMQDM-UHFFFAOYSA-N 0 0 419.472 5.479 50 0 HKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(Cl)cc3F)CC2)s1 ZINC000033171986 558900806 /nfs/dbraw/zinc/90/08/06/558900806.db2.gz ZXJBNDOTCZLLLB-UHFFFAOYSA-N 0 0 403.910 5.252 50 0 HKAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)s1 ZINC000033171988 571315860 /nfs/dbraw/zinc/31/58/60/571315860.db2.gz YQLKMXVIPAGUSK-UHFFFAOYSA-N 0 0 403.910 5.252 50 0 HKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000033172468 558901002 /nfs/dbraw/zinc/90/10/02/558901002.db2.gz KIBKLVMGBBQZBX-UHFFFAOYSA-N 0 0 416.428 5.169 50 0 HKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C(F)(F)F)cc3)c2c1 ZINC000033172581 558901167 /nfs/dbraw/zinc/90/11/67/558901167.db2.gz HKXWUXSFJKECER-UHFFFAOYSA-N 0 0 416.428 5.169 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000033173342 558901405 /nfs/dbraw/zinc/90/14/05/558901405.db2.gz MHKTXVFFTDYELR-UHFFFAOYSA-N 0 0 416.808 5.123 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000033173343 558901361 /nfs/dbraw/zinc/90/13/61/558901361.db2.gz LUFCEJAMJRFNGB-UHFFFAOYSA-N 0 0 416.808 5.123 50 0 HKAARN Cc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1C ZINC000033173355 558901437 /nfs/dbraw/zinc/90/14/37/558901437.db2.gz IDWTZKQCGWPPFE-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN CCc1ccccc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173358 558901347 /nfs/dbraw/zinc/90/13/47/558901347.db2.gz BMKVJEHHQDRSKJ-UHFFFAOYSA-N 0 0 410.417 5.032 50 0 HKAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1 ZINC000033173403 558901571 /nfs/dbraw/zinc/90/15/71/558901571.db2.gz XBMHSZKYEHQGKL-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173405 558901678 /nfs/dbraw/zinc/90/16/78/558901678.db2.gz KPEPZLQZXRPZSC-UHFFFAOYSA-N 0 0 424.444 5.192 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c(C)c1 ZINC000033173409 558901586 /nfs/dbraw/zinc/90/15/86/558901586.db2.gz WVILVCYZCMDCRJ-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1C ZINC000033173413 558901620 /nfs/dbraw/zinc/90/16/20/558901620.db2.gz UBLDRVDNHAKNRL-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN Cc1cc(C)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c(C)c1 ZINC000033173419 558901648 /nfs/dbraw/zinc/90/16/48/558901648.db2.gz YQYFJXMVUMFISJ-UHFFFAOYSA-N 0 0 424.444 5.395 50 0 HKAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173431 558901590 /nfs/dbraw/zinc/90/15/90/558901590.db2.gz VIWIJWQFAYCYQQ-UHFFFAOYSA-N 0 0 424.444 5.340 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000033173442 558901652 /nfs/dbraw/zinc/90/16/52/558901652.db2.gz CIRQBNKCRJCRCU-UHFFFAOYSA-N 0 0 424.444 5.593 50 0 HKAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000033173468 558901581 /nfs/dbraw/zinc/90/15/81/558901581.db2.gz KSSXMAKEOURZDB-UHFFFAOYSA-N 0 0 416.808 5.123 50 0 HKAARN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173477 558901633 /nfs/dbraw/zinc/90/16/33/558901633.db2.gz WAHSWYANYBNKTB-UHFFFAOYSA-N 0 0 424.444 5.056 50 0 HKAARN CCc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2CC)cc1 ZINC000033173565 568511657 /nfs/dbraw/zinc/51/16/57/568511657.db2.gz TYJSBMCCOWWYCO-UHFFFAOYSA-N 0 0 424.444 5.286 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000033173611 558901680 /nfs/dbraw/zinc/90/16/80/558901680.db2.gz VWDGJMLNVSPSPJ-UHFFFAOYSA-N 0 0 424.444 5.340 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000033173615 558901826 /nfs/dbraw/zinc/90/18/26/558901826.db2.gz QNKUUHWHCNWIRL-UHFFFAOYSA-N 0 0 424.444 5.340 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000033173621 558901773 /nfs/dbraw/zinc/90/17/73/558901773.db2.gz DMRPHQVGVSEQBU-UHFFFAOYSA-N 0 0 424.444 5.340 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000033173669 558901784 /nfs/dbraw/zinc/90/17/84/558901784.db2.gz BNMOYSGXBUDDLJ-UHFFFAOYSA-N 0 0 424.444 5.056 50 0 HKAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)s1 ZINC000033173976 558902189 /nfs/dbraw/zinc/90/21/89/558902189.db2.gz WELQRZBYPNPAJR-CQSZACIVSA-N 0 0 419.472 5.479 50 0 HKAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)s1 ZINC000033173978 558902162 /nfs/dbraw/zinc/90/21/62/558902162.db2.gz WELQRZBYPNPAJR-AWEZNQCLSA-N 0 0 419.472 5.479 50 0 HKAARN Cc1ccc2c(c1)N=C(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CO2 ZINC000033174750 558902326 /nfs/dbraw/zinc/90/23/26/558902326.db2.gz OHRAHDYLMIPRGV-UHFFFAOYSA-N 0 0 414.836 5.462 50 0 HKAARN Cc1ccc2c(c1)OCC(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=N2 ZINC000033174757 558902563 /nfs/dbraw/zinc/90/25/63/558902563.db2.gz QOQPDYJNGUKMQY-UHFFFAOYSA-N 0 0 414.836 5.462 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000033215788 558912354 /nfs/dbraw/zinc/91/23/54/558912354.db2.gz FQQQOJNBZIHGEI-FQEVSTJZSA-N 0 0 403.482 5.028 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000033215789 558912316 /nfs/dbraw/zinc/91/23/16/558912316.db2.gz FQQQOJNBZIHGEI-HXUWFJFHSA-N 0 0 403.482 5.028 50 0 HKAARN Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc(C)c1OCc1cccnc1 ZINC000033219136 558908445 /nfs/dbraw/zinc/90/84/45/558908445.db2.gz BMBZYJUIYKMBBK-UHFFFAOYSA-N 0 0 416.308 5.419 50 0 HKAARN COc1cc(OC)c(NC(=O)c2cc3cccc(Br)c3o2)cc1Cl ZINC000033228098 558913740 /nfs/dbraw/zinc/91/37/40/558913740.db2.gz MCTYZXBNGZBHTP-UHFFFAOYSA-N 0 0 410.651 5.118 50 0 HKAARN Fc1ccc(N2N=C(/C=C\c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000033246953 568511768 /nfs/dbraw/zinc/51/17/68/568511768.db2.gz YSUFTJSNIQYOSA-AOZQEQEISA-N 0 0 411.307 7.153 50 0 HKAARN Fc1ccc(N2N=C(/C=C\c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000033246954 568511787 /nfs/dbraw/zinc/51/17/87/568511787.db2.gz YSUFTJSNIQYOSA-PLLZIJQZSA-N 0 0 411.307 7.153 50 0 HKAARN COc1ccc2c(c1)c(/C=C\c1nc3ccccc3c(=O)n1-c1ccccc1)c(C)n2C ZINC000033247733 558916498 /nfs/dbraw/zinc/91/64/98/558916498.db2.gz BMCYTOOKZOPDJQ-PEZBUJJGSA-N 0 0 421.500 5.365 50 0 HKAARN O=C1NC(=S)SC1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000033248073 558916794 /nfs/dbraw/zinc/91/67/94/558916794.db2.gz NUYAQJFXSJWDFC-IDUWFGFVSA-N 0 0 419.358 6.326 50 0 HKAARN Clc1ccc(-c2nnc(-c3nc4ccccc4c(NC4CCCCC4)n3)o2)cc1 ZINC000033249133 558916778 /nfs/dbraw/zinc/91/67/78/558916778.db2.gz PSZHJTVYJMFGQG-UHFFFAOYSA-N 0 0 405.889 5.745 50 0 HKAARN CCOC(=O)c1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000033249795 558915886 /nfs/dbraw/zinc/91/58/86/558915886.db2.gz VTVKGERHPAUPJO-UHFFFAOYSA-N 0 0 421.888 5.006 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000033249835 558918638 /nfs/dbraw/zinc/91/86/38/558918638.db2.gz BCONZWQMVTWJSM-HXUWFJFHSA-N 0 0 416.912 5.190 50 0 HKAARN Cc1nc2cccnc2n1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl ZINC000033249836 558918650 /nfs/dbraw/zinc/91/86/50/558918650.db2.gz BCONZWQMVTWJSM-FQEVSTJZSA-N 0 0 416.912 5.190 50 0 HKAARN CCc1cccc(C)c1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000033250384 558919212 /nfs/dbraw/zinc/91/92/12/558919212.db2.gz DWTHGJPMAHARHG-UHFFFAOYSA-N 0 0 401.919 5.133 50 0 HKAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033250389 558919179 /nfs/dbraw/zinc/91/91/79/558919179.db2.gz PKTFALCRPYPZEK-UHFFFAOYSA-N 0 0 412.273 5.054 50 0 HKAARN CC(C)c1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 ZINC000033250460 568511959 /nfs/dbraw/zinc/51/19/59/568511959.db2.gz IMYKILRDWNCDBL-UHFFFAOYSA-N 0 0 409.555 5.276 50 0 HKAARN CC1CCN(S(=O)(=O)c2ccc3nc(Nc4cccc(Cl)c4)ccc3c2)CC1 ZINC000033250475 568511951 /nfs/dbraw/zinc/51/19/51/568511951.db2.gz LKDYZODGQYANKI-UHFFFAOYSA-N 0 0 415.946 5.052 50 0 HKAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(Nc3ccc(Cl)cc3)ccc2c1 ZINC000033250504 558919384 /nfs/dbraw/zinc/91/93/84/558919384.db2.gz 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ZINC000033252526 558920810 /nfs/dbraw/zinc/92/08/10/558920810.db2.gz HZLORFZNEXNDRO-UHFFFAOYSA-N 0 0 421.859 5.143 50 0 HKAARN COc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252544 558920804 /nfs/dbraw/zinc/92/08/04/558920804.db2.gz KQERXEQUZLENIZ-UHFFFAOYSA-N 0 0 417.509 5.049 50 0 HKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(C)c(C)n2-c1ccc(F)c(F)c1 ZINC000033252563 568511958 /nfs/dbraw/zinc/51/19/58/568511958.db2.gz OXTPBQMHABXUSE-UHFFFAOYSA-N 0 0 414.843 5.721 50 0 HKAARN CCOC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1 ZINC000033252574 558920845 /nfs/dbraw/zinc/92/08/45/558920845.db2.gz JYEBPPKHSBPDNJ-UHFFFAOYSA-N 0 0 404.445 5.097 50 0 HKAARN CCOC(=O)c1ccc(Nc2nc(C)nc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1 ZINC000033252595 558920813 /nfs/dbraw/zinc/92/08/13/558920813.db2.gz RKBXKDYHFWCLQY-UHFFFAOYSA-N 0 0 418.472 5.405 50 0 HKAARN COc1ccc(Cl)cc1Nc1nc(C)nc2c1c(C)c(C)n2-c1ccc(F)cc1 ZINC000033252599 558920802 /nfs/dbraw/zinc/92/08/02/558920802.db2.gz PNFAFMZOVXLXGP-UHFFFAOYSA-N 0 0 410.880 5.890 50 0 HKAARN COc1ccc(Nc2nc(C)nc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1Cl ZINC000033252603 558920805 /nfs/dbraw/zinc/92/08/05/558920805.db2.gz PUYIPOZQBUYSRK-UHFFFAOYSA-N 0 0 410.880 5.890 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cccnc1 ZINC000033252606 558920829 /nfs/dbraw/zinc/92/08/29/558920829.db2.gz VDAUHGKURZIEOC-UHFFFAOYSA-N 0 0 418.500 5.458 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3CC)cc2)cc1 ZINC000033252618 558921023 /nfs/dbraw/zinc/92/10/23/558921023.db2.gz HQRRIHTXNHXHAK-UHFFFAOYSA-N 0 0 413.521 5.492 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1 ZINC000033252619 558921036 /nfs/dbraw/zinc/92/10/36/558921036.db2.gz QTKFUUZVLITLBF-UHFFFAOYSA-N 0 0 413.521 5.492 50 0 HKAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000033255244 558923190 /nfs/dbraw/zinc/92/31/90/558923190.db2.gz BJHZSPMNCNJRBG-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000033255255 558923089 /nfs/dbraw/zinc/92/30/89/558923089.db2.gz BWPMJXZSSCFXPT-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033255260 558923123 /nfs/dbraw/zinc/92/31/23/558923123.db2.gz MCHHRCUALNOODC-UHFFFAOYSA-N 0 0 417.296 5.455 50 0 HKAARN CCc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000033255280 568512693 /nfs/dbraw/zinc/51/26/93/568512693.db2.gz ROUIRODTYVNDFO-UHFFFAOYSA-N 0 0 410.905 5.364 50 0 HKAARN Cc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1C ZINC000033255281 558923134 /nfs/dbraw/zinc/92/31/34/558923134.db2.gz OLZUWYHZMDECQZ-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1C ZINC000033255284 558923055 /nfs/dbraw/zinc/92/30/55/558923055.db2.gz POLVXKQZIIGDAT-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000033255285 558923097 /nfs/dbraw/zinc/92/30/97/558923097.db2.gz MXWHEPWBHVBVBJ-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1cc(C)cc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000033255286 558923156 /nfs/dbraw/zinc/92/31/56/558923156.db2.gz QQAWFAUUVSARDV-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c(C)c1 ZINC000033255299 558923154 /nfs/dbraw/zinc/92/31/54/558923154.db2.gz QXNQZINAVZCLAI-UHFFFAOYSA-N 0 0 410.905 5.418 50 0 HKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)c2ccccc2Br)CC3)cc1 ZINC000033255880 558923563 /nfs/dbraw/zinc/92/35/63/558923563.db2.gz SKMXLPHJRCTBFL-UHFFFAOYSA-N 0 0 413.340 5.080 50 0 HKAARN Cc1ccc2c(c1)N(C(=O)COc1cc(-c3ccccc3)nc3ccccc31)CCO2 ZINC000033256555 558923669 /nfs/dbraw/zinc/92/36/69/558923669.db2.gz FNWRZQZVRMUPSC-UHFFFAOYSA-N 0 0 410.473 5.015 50 0 HKAARN Cc1ccc(-c2cc(OCC(=O)N3CCOc4ccc(C)cc43)c3ccccc3n2)cc1 ZINC000033256560 558923762 /nfs/dbraw/zinc/92/37/62/558923762.db2.gz PQUCFAGOFCNAIH-UHFFFAOYSA-N 0 0 424.500 5.323 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000033256982 558923903 /nfs/dbraw/zinc/92/39/03/558923903.db2.gz ZPUOUTYUXQEBTK-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)nn2)cc1 ZINC000033256995 558923998 /nfs/dbraw/zinc/92/39/98/558923998.db2.gz ICEMKTPZFZLQPM-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1 ZINC000033257004 558923984 /nfs/dbraw/zinc/92/39/84/558923984.db2.gz WTCPQBSWXAVESW-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257010 558923969 /nfs/dbraw/zinc/92/39/69/558923969.db2.gz BPBPXMLYDKWQIM-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)cc1 ZINC000033257012 558923945 /nfs/dbraw/zinc/92/39/45/558923945.db2.gz SDFYOYOPHDPOFY-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000033257027 558923995 /nfs/dbraw/zinc/92/39/95/558923995.db2.gz GXOBSTBFAZTGLB-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cc1 ZINC000033257029 558923973 /nfs/dbraw/zinc/92/39/73/558923973.db2.gz JQTHWQCQCOCPER-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN CCc1cc(Sc2ccccc2NC(=O)c2cccc(Cl)c2)n2nc(C)nc2n1 ZINC000033257096 558924088 /nfs/dbraw/zinc/92/40/88/558924088.db2.gz YXLFYISIUDKZFW-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCc1cc(Sc2ccccc2NC(=O)c2ccc(Cl)cc2)n2nc(C)nc2n1 ZINC000033257098 558924068 /nfs/dbraw/zinc/92/40/68/558924068.db2.gz FGOPRUJGPJJOAM-UHFFFAOYSA-N 0 0 423.929 5.052 50 0 HKAARN CCc1cc(Sc2ccccc2NC(=O)CC2CCCCC2)n2nc(C)nc2n1 ZINC000033257111 571315966 /nfs/dbraw/zinc/31/59/66/571315966.db2.gz UTWLRCFRJCFORV-UHFFFAOYSA-N 0 0 409.559 5.055 50 0 HKAARN CC(C)NC(=O)Nc1ccc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)cc1 ZINC000033257197 558924327 /nfs/dbraw/zinc/92/43/27/558924327.db2.gz QHULGHGYJXZRHS-CYBMUJFWSA-N 0 0 400.866 5.060 50 0 HKAARN CC(C)NC(=O)Nc1ccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)cc1 ZINC000033257198 558924306 /nfs/dbraw/zinc/92/43/06/558924306.db2.gz QHULGHGYJXZRHS-ZDUSSCGKSA-N 0 0 400.866 5.060 50 0 HKAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000033257224 558924317 /nfs/dbraw/zinc/92/43/17/558924317.db2.gz UXPSTTURRYJRBR-GFCCVEGCSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000033257225 558924313 /nfs/dbraw/zinc/92/43/13/558924313.db2.gz UXPSTTURRYJRBR-LBPRGKRZSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000033257234 558924303 /nfs/dbraw/zinc/92/43/03/558924303.db2.gz VRFFUSPNNSPEAT-GFCCVEGCSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000033257235 558924251 /nfs/dbraw/zinc/92/42/51/558924251.db2.gz VRFFUSPNNSPEAT-LBPRGKRZSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033257242 558924246 /nfs/dbraw/zinc/92/42/46/558924246.db2.gz WJUXMUJVMRRJPO-GFCCVEGCSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033257243 558924284 /nfs/dbraw/zinc/92/42/84/558924284.db2.gz WJUXMUJVMRRJPO-LBPRGKRZSA-N 0 0 415.291 5.086 50 0 HKAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3Br)cc2)no1 ZINC000033257346 558924321 /nfs/dbraw/zinc/92/43/21/558924321.db2.gz NXLDVHHXERTZQL-UHFFFAOYSA-N 0 0 401.264 5.014 50 0 HKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccc(Br)c1 ZINC000033257429 558924295 /nfs/dbraw/zinc/92/42/95/558924295.db2.gz GATJSEYHJYMQTB-UHFFFAOYSA-N 0 0 413.275 5.411 50 0 HKAARN CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000033257511 558924417 /nfs/dbraw/zinc/92/44/17/558924417.db2.gz VBAUKMDVNRQFPT-GFCCVEGCSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000033257512 558924455 /nfs/dbraw/zinc/92/44/55/558924455.db2.gz VBAUKMDVNRQFPT-LBPRGKRZSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000033257519 558924436 /nfs/dbraw/zinc/92/44/36/558924436.db2.gz WQZWVRQGLQPSFP-GFCCVEGCSA-N 0 0 415.291 5.086 50 0 HKAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000033257520 568512815 /nfs/dbraw/zinc/51/28/15/568512815.db2.gz WQZWVRQGLQPSFP-LBPRGKRZSA-N 0 0 415.291 5.086 50 0 HKAARN Cc1cccc(OCc2nc(-c3cccc(NC(=O)Nc4ccccc4C)c3)no2)c1 ZINC000033257582 558924491 /nfs/dbraw/zinc/92/44/91/558924491.db2.gz FEIAJKWHLJYQDG-UHFFFAOYSA-N 0 0 414.465 5.576 50 0 HKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257696 558924427 /nfs/dbraw/zinc/92/44/27/558924427.db2.gz WYGGJUKFPOMLHG-UHFFFAOYSA-N 0 0 410.886 5.520 50 0 HKAARN Cc1cc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)ccc1Br ZINC000033257708 558924465 /nfs/dbraw/zinc/92/44/65/558924465.db2.gz UZLBNVMWOOWAMT-UHFFFAOYSA-N 0 0 412.287 5.327 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033257953 558762808 /nfs/dbraw/zinc/76/28/08/558762808.db2.gz HLJQTLOYLKNACJ-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033257956 558762736 /nfs/dbraw/zinc/76/27/36/558762736.db2.gz XDBHFEVZZYCAKN-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000033257958 558762749 /nfs/dbraw/zinc/76/27/49/558762749.db2.gz SDBGKGDUHPDINR-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)c1 ZINC000033257991 558762953 /nfs/dbraw/zinc/76/29/53/558762953.db2.gz XDLOTGZFPXQNEL-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257992 558762937 /nfs/dbraw/zinc/76/29/37/558762937.db2.gz GJCRKNVYGFNZSV-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257994 558763003 /nfs/dbraw/zinc/76/30/03/558763003.db2.gz LELWHTXEHGLYRO-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257997 558762901 /nfs/dbraw/zinc/76/29/01/558762901.db2.gz NXFQNHKSENPVCE-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000033258014 558762917 /nfs/dbraw/zinc/76/29/17/558762917.db2.gz BLQJTJJQHWFABC-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)c1 ZINC000033258040 558762921 /nfs/dbraw/zinc/76/29/21/558762921.db2.gz UUECIXMOTMJUHW-GOSISDBHSA-N 0 0 424.504 5.387 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)c1 ZINC000033258041 558762927 /nfs/dbraw/zinc/76/29/27/558762927.db2.gz UUECIXMOTMJUHW-SFHVURJKSA-N 0 0 424.504 5.387 50 0 HKAARN Cc1c(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1 ZINC000033258115 558762997 /nfs/dbraw/zinc/76/29/97/558762997.db2.gz QGNHBGUVASFDAL-UHFFFAOYSA-N 0 0 412.537 5.658 50 0 HKAARN Cc1c(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1 ZINC000033258116 558762963 /nfs/dbraw/zinc/76/29/63/558762963.db2.gz HIOJCMLALBVSEL-UHFFFAOYSA-N 0 0 410.521 5.412 50 0 HKAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4C)c(C)n3)cc2)no1 ZINC000033258517 558925387 /nfs/dbraw/zinc/92/53/87/558925387.db2.gz SGWPVAMFTCIXKP-UHFFFAOYSA-N 0 0 421.888 5.007 50 0 HKAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3)cc2)no1 ZINC000033258530 558925357 /nfs/dbraw/zinc/92/53/57/558925357.db2.gz JYESDBVRZRDFCA-UHFFFAOYSA-N 0 0 421.888 5.007 50 0 HKAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)cc4Cl)c(C)n3)cc2)no1 ZINC000033258535 558925392 /nfs/dbraw/zinc/92/53/92/558925392.db2.gz ANHJBDPDUOJJKO-UHFFFAOYSA-N 0 0 421.888 5.007 50 0 HKAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C(C)C)cc4)c(C)n3)cc2)no1 ZINC000033258541 558925582 /nfs/dbraw/zinc/92/55/82/558925582.db2.gz PVOFKXGOXNEUCB-UHFFFAOYSA-N 0 0 415.497 5.169 50 0 HKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccccc1C ZINC000033258582 558925590 /nfs/dbraw/zinc/92/55/90/558925590.db2.gz VIKGKECDLXMJPV-UHFFFAOYSA-N 0 0 413.481 5.059 50 0 HKAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1cccc(C)c1 ZINC000033258611 558925761 /nfs/dbraw/zinc/92/57/61/558925761.db2.gz JNXGPVCVATYDOM-UHFFFAOYSA-N 0 0 413.481 5.059 50 0 HKAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000033258649 558925750 /nfs/dbraw/zinc/92/57/50/558925750.db2.gz YRKJIXCAOPQXHY-UHFFFAOYSA-N 0 0 419.872 5.014 50 0 HKAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000033258650 558925754 /nfs/dbraw/zinc/92/57/54/558925754.db2.gz VEXWWVOGUSDBHH-UHFFFAOYSA-N 0 0 419.872 5.014 50 0 HKAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccccc1Cl ZINC000033258686 558925738 /nfs/dbraw/zinc/92/57/38/558925738.db2.gz XURRQPFIEGGFGH-UHFFFAOYSA-N 0 0 419.872 5.014 50 0 HKAARN CCCC(=O)Nc1c(C)nc(Nc2ccc(OC)cc2)nc1Nc1ccc(OC)cc1 ZINC000033258711 558925864 /nfs/dbraw/zinc/92/58/64/558925864.db2.gz LUJZNERPKSTKPL-UHFFFAOYSA-N 0 0 421.501 5.028 50 0 HKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)ncn2)c1 ZINC000033260929 558926450 /nfs/dbraw/zinc/92/64/50/558926450.db2.gz NYSHMDAZOSHKBF-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c1 ZINC000033260930 558926473 /nfs/dbraw/zinc/92/64/73/558926473.db2.gz TXZMERBFNQMGTM-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1 ZINC000033260932 558926455 /nfs/dbraw/zinc/92/64/55/558926455.db2.gz IXTORWLTAYUGDG-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033260938 558926478 /nfs/dbraw/zinc/92/64/78/558926478.db2.gz OBTQXVFEAJUYIU-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)c1 ZINC000033260943 558926506 /nfs/dbraw/zinc/92/65/06/558926506.db2.gz UYKSHNONNSBENQ-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(C)c4)ncn3)c2)cc1 ZINC000033260944 558926453 /nfs/dbraw/zinc/92/64/53/558926453.db2.gz ZDPUSKRPUPMYOJ-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260971 558926436 /nfs/dbraw/zinc/92/64/36/558926436.db2.gz WBRHZIIZMGFGAT-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260974 558926497 /nfs/dbraw/zinc/92/64/97/558926497.db2.gz NKUBYACXPRYVAK-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260977 558926414 /nfs/dbraw/zinc/92/64/14/558926414.db2.gz MIPLLTQJNBDNIZ-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260979 558926429 /nfs/dbraw/zinc/92/64/29/558926429.db2.gz YDWWZJPEWVSBKZ-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033260981 558926736 /nfs/dbraw/zinc/92/67/36/558926736.db2.gz DGUZQLCVJKSHQR-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260987 558926654 /nfs/dbraw/zinc/92/66/54/558926654.db2.gz HWFQGDOUOJPMGX-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260993 558927018 /nfs/dbraw/zinc/92/70/18/558927018.db2.gz SEKJESNSWVBTGR-UHFFFAOYSA-N 0 0 412.468 5.299 50 0 HKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)ncn2)cc1 ZINC000033261018 558926937 /nfs/dbraw/zinc/92/69/37/558926937.db2.gz KURUHKAZGKCUFK-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)c1 ZINC000033261019 558926908 /nfs/dbraw/zinc/92/69/08/558926908.db2.gz LROUVKFOSIQDNN-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033261021 558927276 /nfs/dbraw/zinc/92/72/76/558927276.db2.gz ALTJHUODEZXJIV-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033261027 558927225 /nfs/dbraw/zinc/92/72/25/558927225.db2.gz MDEFUERVMAYLSW-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)c1 ZINC000033261034 558927662 /nfs/dbraw/zinc/92/76/62/558927662.db2.gz HFFZRKKNRLWJMB-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033261035 558927715 /nfs/dbraw/zinc/92/77/15/558927715.db2.gz JSFZYNBVBNPJEG-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000033261064 558927682 /nfs/dbraw/zinc/92/76/82/558927682.db2.gz VDBVKTOHWAGEDG-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261065 558927685 /nfs/dbraw/zinc/92/76/85/558927685.db2.gz YIQZXGYCBIVEOQ-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261068 558927763 /nfs/dbraw/zinc/92/77/63/558927763.db2.gz GFAFIDVRFDQHPS-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261072 558927753 /nfs/dbraw/zinc/92/77/53/558927753.db2.gz QQZPKBLAGSZGGS-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261073 558927782 /nfs/dbraw/zinc/92/77/82/558927782.db2.gz NMNHPFWREKLAEN-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN CCOc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033261109 558928111 /nfs/dbraw/zinc/92/81/11/558928111.db2.gz HBXOOXWHWKEPMF-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261116 558928131 /nfs/dbraw/zinc/92/81/31/558928131.db2.gz BWQQKHCSYZXDPY-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)ncn2)c1 ZINC000033261154 568512976 /nfs/dbraw/zinc/51/29/76/568512976.db2.gz WPYIHDATFWUKBY-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c1 ZINC000033261155 558928214 /nfs/dbraw/zinc/92/82/14/558928214.db2.gz ZXSMTSKIVKYKBU-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033261157 558928162 /nfs/dbraw/zinc/92/81/62/558928162.db2.gz WOJFTDVAKZYIAZ-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033261163 558928157 /nfs/dbraw/zinc/92/81/57/558928157.db2.gz JBYKYINKTISIII-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)c1 ZINC000033261170 558928087 /nfs/dbraw/zinc/92/80/87/558928087.db2.gz QPYCTSGNFGZDAS-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033261171 568512995 /nfs/dbraw/zinc/51/29/95/568512995.db2.gz KORIXTFSHHTXLO-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c1 ZINC000033261203 558928385 /nfs/dbraw/zinc/92/83/85/558928385.db2.gz VBWYPGYCIKOIIW-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261204 558928345 /nfs/dbraw/zinc/92/83/45/558928345.db2.gz XVHOGXVEVBJRDU-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261208 558928300 /nfs/dbraw/zinc/92/83/00/558928300.db2.gz OOFHXGNUOZWKTO-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261211 568513012 /nfs/dbraw/zinc/51/30/12/568513012.db2.gz DQYZDBWVDJMLOU-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261213 558928383 /nfs/dbraw/zinc/92/83/83/558928383.db2.gz XRLRCPXLNPXJPU-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033261216 558928361 /nfs/dbraw/zinc/92/83/61/558928361.db2.gz GJHVAGAOGREHQR-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261220 558928351 /nfs/dbraw/zinc/92/83/51/558928351.db2.gz ZRKHPYFZENWCQF-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261226 558928339 /nfs/dbraw/zinc/92/83/39/558928339.db2.gz NVTJYDCREILIKZ-UHFFFAOYSA-N 0 0 412.468 5.299 50 0 HKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)ncn2)cc1 ZINC000033261252 558928286 /nfs/dbraw/zinc/92/82/86/558928286.db2.gz HANBBYPVKKAHRB-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)c1 ZINC000033261253 558928284 /nfs/dbraw/zinc/92/82/84/558928284.db2.gz NHDCNFJEEIWJPN-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033261255 558928347 /nfs/dbraw/zinc/92/83/47/558928347.db2.gz UYTJRIITYKIPIM-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033261260 558928356 /nfs/dbraw/zinc/92/83/56/558928356.db2.gz SQWLMOHVJGEOKT-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)c1 ZINC000033261265 558928312 /nfs/dbraw/zinc/92/83/12/558928312.db2.gz HXEPNQZBZVECKY-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)cc1 ZINC000033261266 558928354 /nfs/dbraw/zinc/92/83/54/558928354.db2.gz MPKUOJJNXYWEGM-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033261296 558928568 /nfs/dbraw/zinc/92/85/68/558928568.db2.gz WRKZXBHUCXZGCO-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261299 558928577 /nfs/dbraw/zinc/92/85/77/558928577.db2.gz LBRZHEFTLQAJJO-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261301 558928598 /nfs/dbraw/zinc/92/85/98/558928598.db2.gz YRULHEUHCKVFRP-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261303 558928555 /nfs/dbraw/zinc/92/85/55/558928555.db2.gz RFKDKODTAAOCOS-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033261305 558929405 /nfs/dbraw/zinc/92/94/05/558929405.db2.gz HNINWIAQQRCZAV-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261311 558926064 /nfs/dbraw/zinc/92/60/64/558926064.db2.gz JZHMDQNNDUYRQU-UHFFFAOYSA-N 0 0 416.431 5.095 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261317 558926226 /nfs/dbraw/zinc/92/62/26/558926226.db2.gz ZFUGHTMYPSYTKC-UHFFFAOYSA-N 0 0 412.468 5.299 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033261339 558928069 /nfs/dbraw/zinc/92/80/69/558928069.db2.gz RQEGFJLQZGGABT-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033261347 558930821 /nfs/dbraw/zinc/93/08/21/558930821.db2.gz UGAGYMQFVMPOOS-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033261351 558930896 /nfs/dbraw/zinc/93/08/96/558930896.db2.gz WBUQCLCYZMAASX-GOSISDBHSA-N 0 0 424.504 5.387 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033261352 558930868 /nfs/dbraw/zinc/93/08/68/558930868.db2.gz WBUQCLCYZMAASX-SFHVURJKSA-N 0 0 424.504 5.387 50 0 HKAARN CCn1c(CCc2cccc(NC(=O)Cc3cccc(OC)c3)c2)nc2ccccc21 ZINC000033261446 568513006 /nfs/dbraw/zinc/51/30/06/568513006.db2.gz OKVFDNAREFTLEH-UHFFFAOYSA-N 0 0 413.521 5.031 50 0 HKAARN CCn1c(CCc2ccccc2NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 ZINC000033261470 558930907 /nfs/dbraw/zinc/93/09/07/558930907.db2.gz FRTYSEVTKIZLPX-UHFFFAOYSA-N 0 0 413.521 5.031 50 0 HKAARN CCc1cc(Sc2ccccc2NC(=O)Nc2ccc(Cl)cc2)n2ncnc2n1 ZINC000033261489 558930794 /nfs/dbraw/zinc/93/07/94/558930794.db2.gz AVTZQXBMVQXPSF-UHFFFAOYSA-N 0 0 424.917 5.135 50 0 HKAARN COc1cccc(-c2noc(-c3ccc(CSCc4ccc(C)cc4)o3)n2)c1OC ZINC000033262366 558932580 /nfs/dbraw/zinc/93/25/80/558932580.db2.gz FWNUMAVCTKZAGS-UHFFFAOYSA-N 0 0 422.506 5.756 50 0 HKAARN Cc1ccc(CSCc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1 ZINC000033262368 558932547 /nfs/dbraw/zinc/93/25/47/558932547.db2.gz MMTYGJTZAODSIJ-UHFFFAOYSA-N 0 0 406.463 5.467 50 0 HKAARN COc1cccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)c1 ZINC000033262476 558931259 /nfs/dbraw/zinc/93/12/59/558931259.db2.gz GWFKQJXEWPTVMB-UHFFFAOYSA-N 0 0 410.886 5.148 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4C)no3)nn2)cc1 ZINC000033262483 558931282 /nfs/dbraw/zinc/93/12/82/558931282.db2.gz VBVKAUVOGJCJHR-UHFFFAOYSA-N 0 0 404.495 5.193 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4cccc(C)c4)no3)nn2)cc1 ZINC000033262484 558931235 /nfs/dbraw/zinc/93/12/35/558931235.db2.gz YHXLASFZGWRRFH-UHFFFAOYSA-N 0 0 404.495 5.193 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)cc1 ZINC000033262485 558931299 /nfs/dbraw/zinc/93/12/99/558931299.db2.gz HZCVSZMXUWCZDZ-UHFFFAOYSA-N 0 0 404.495 5.193 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1 ZINC000033262486 558931417 /nfs/dbraw/zinc/93/14/17/558931417.db2.gz HGMSZHQHAOXVGU-UHFFFAOYSA-N 0 0 424.913 5.538 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1 ZINC000033262487 558931407 /nfs/dbraw/zinc/93/14/07/558931407.db2.gz HFLAWEROFIYLLH-UHFFFAOYSA-N 0 0 424.913 5.538 50 0 HKAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1 ZINC000033262492 558931379 /nfs/dbraw/zinc/93/13/79/558931379.db2.gz NJTKBXSQERZEHW-UHFFFAOYSA-N 0 0 408.458 5.024 50 0 HKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1 ZINC000033262511 558931420 /nfs/dbraw/zinc/93/14/20/558931420.db2.gz BNMBJRUNWSKFCD-UHFFFAOYSA-N 0 0 408.458 5.024 50 0 HKAARN CCOc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 ZINC000033262538 558931385 /nfs/dbraw/zinc/93/13/85/558931385.db2.gz RBMAKUJIAAWULG-UHFFFAOYSA-N 0 0 408.458 5.024 50 0 HKAARN Cc1ccc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)c(C)c1 ZINC000033263797 558933021 /nfs/dbraw/zinc/93/30/21/558933021.db2.gz CGCWJKUXJCKNAS-UHFFFAOYSA-N 0 0 417.488 5.066 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033263805 558977147 /nfs/dbraw/zinc/97/71/47/558977147.db2.gz HKSCIRNKFOECIQ-UHFFFAOYSA-N 0 0 419.916 5.272 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033263806 558977143 /nfs/dbraw/zinc/97/71/43/558977143.db2.gz JXMVSOHVTMTOEO-UHFFFAOYSA-N 0 0 413.525 5.235 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2cc(C)ccc2C)cc1 ZINC000033263807 568512205 /nfs/dbraw/zinc/51/22/05/568512205.db2.gz XKGMMZICNJPOOG-UHFFFAOYSA-N 0 0 413.525 5.235 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033263808 558977029 /nfs/dbraw/zinc/97/70/29/558977029.db2.gz GSZDDBGRGAPHNA-UHFFFAOYSA-N 0 0 413.525 5.235 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(C)cc2C)cc1 ZINC000033263817 558977536 /nfs/dbraw/zinc/97/75/36/558977536.db2.gz RMHKEDMBMYRHMH-UHFFFAOYSA-N 0 0 413.525 5.235 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033263819 568512164 /nfs/dbraw/zinc/51/21/64/568512164.db2.gz XTEFXMTZBDUGHG-UHFFFAOYSA-N 0 0 417.488 5.066 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)c(C)c1 ZINC000033264361 558984362 /nfs/dbraw/zinc/98/43/62/558984362.db2.gz FAEALVPRZAXWPB-NZQKXSOJSA-N 0 0 421.585 5.092 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)c(C)c1 ZINC000033264362 558984393 /nfs/dbraw/zinc/98/43/93/558984393.db2.gz FAEALVPRZAXWPB-REWPJTCUSA-N 0 0 421.585 5.092 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)c(C)c1 ZINC000033264363 558984404 /nfs/dbraw/zinc/98/44/04/558984404.db2.gz FAEALVPRZAXWPB-NFBKMPQASA-N 0 0 421.585 5.092 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)c(C)c1 ZINC000033264364 558984401 /nfs/dbraw/zinc/98/44/01/558984401.db2.gz FAEALVPRZAXWPB-OFNKIYASSA-N 0 0 421.585 5.092 50 0 HKAARN CCc1ccc([C@@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264373 558984411 /nfs/dbraw/zinc/98/44/11/558984411.db2.gz HJUWCFUVPXBVPJ-NTKDMRAZSA-N 0 0 421.585 5.037 50 0 HKAARN CCc1ccc([C@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264374 558984408 /nfs/dbraw/zinc/98/44/08/558984408.db2.gz HJUWCFUVPXBVPJ-YADARESESA-N 0 0 421.585 5.037 50 0 HKAARN CCc1ccc([C@@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264375 558984426 /nfs/dbraw/zinc/98/44/26/558984426.db2.gz HJUWCFUVPXBVPJ-DVECYGJZSA-N 0 0 421.585 5.037 50 0 HKAARN CCc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264376 558984402 /nfs/dbraw/zinc/98/44/02/558984402.db2.gz HJUWCFUVPXBVPJ-CYFREDJKSA-N 0 0 421.585 5.037 50 0 HKAARN COc1ccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c(OC)c1 ZINC000033264682 558984991 /nfs/dbraw/zinc/98/49/91/558984991.db2.gz HPBBSIDPXCZINI-UHFFFAOYSA-N 0 0 418.478 5.130 50 0 HKAARN COc1cccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1OC ZINC000033264693 558985033 /nfs/dbraw/zinc/98/50/33/558985033.db2.gz FEAOIGPVWKHHHZ-UHFFFAOYSA-N 0 0 418.478 5.130 50 0 HKAARN COc1cc(OC)cc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1 ZINC000033264694 558985031 /nfs/dbraw/zinc/98/50/31/558985031.db2.gz IHUPCTBZNULXHZ-UHFFFAOYSA-N 0 0 418.478 5.130 50 0 HKAARN CC(=O)Nc1cccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1 ZINC000033264703 568512210 /nfs/dbraw/zinc/51/22/10/568512210.db2.gz ISYZYAZUPDSKSX-UHFFFAOYSA-N 0 0 415.478 5.071 50 0 HKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(COc4cccc(C)c4)n3)cc12 ZINC000033264707 558984947 /nfs/dbraw/zinc/98/49/47/558984947.db2.gz PMVNRLDUJRCHTF-UHFFFAOYSA-N 0 0 402.479 5.333 50 0 HKAARN CC(=O)Nc1ccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc1 ZINC000033264708 558985135 /nfs/dbraw/zinc/98/51/35/558985135.db2.gz VSMXSACQFKDEKN-UHFFFAOYSA-N 0 0 415.478 5.071 50 0 HKAARN COc1ccc(OCc2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc1 ZINC000033264713 558985100 /nfs/dbraw/zinc/98/51/00/558985100.db2.gz FSHKSYMIVOVVLU-UHFFFAOYSA-N 0 0 418.478 5.033 50 0 HKAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(C(C)C)cc4)cs3)c2N)cc1 ZINC000033265156 558985216 /nfs/dbraw/zinc/98/52/16/558985216.db2.gz HUEJQJCZXFWGCR-UHFFFAOYSA-N 0 0 405.527 5.162 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000033265377 558985433 /nfs/dbraw/zinc/98/54/33/558985433.db2.gz LDFBTHWQCIVHHV-DEOSSOPVSA-N 0 0 413.908 6.268 50 0 HKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000033265378 558985443 /nfs/dbraw/zinc/98/54/43/558985443.db2.gz LDFBTHWQCIVHHV-XMMPIXPASA-N 0 0 413.908 6.268 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000033265459 558985583 /nfs/dbraw/zinc/98/55/83/558985583.db2.gz ZYHYVZMFTNBMNI-QFIPXVFZSA-N 0 0 423.557 5.581 50 0 HKAARN CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000033265460 558985569 /nfs/dbraw/zinc/98/55/69/558985569.db2.gz ZYHYVZMFTNBMNI-JOCHJYFZSA-N 0 0 423.557 5.581 50 0 HKAARN CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000033265505 558985600 /nfs/dbraw/zinc/98/56/00/558985600.db2.gz KWXIRENOASTEIJ-NRFANRHFSA-N 0 0 415.603 5.067 50 0 HKAARN CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C(C)C)CCCC3 ZINC000033265506 558985577 /nfs/dbraw/zinc/98/55/77/558985577.db2.gz KWXIRENOASTEIJ-OAQYLSRUSA-N 0 0 415.603 5.067 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1OC)CCCC3 ZINC000033265509 558985575 /nfs/dbraw/zinc/98/55/75/558985575.db2.gz ARGNNVCXANUVJT-IBGZPJMESA-N 0 0 421.566 5.925 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1OC)CCCC3 ZINC000033265510 558985626 /nfs/dbraw/zinc/98/56/26/558985626.db2.gz ARGNNVCXANUVJT-LJQANCHMSA-N 0 0 421.566 5.925 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1C)CCCC3 ZINC000033265523 568512175 /nfs/dbraw/zinc/51/21/75/568512175.db2.gz QBOJXGJUYXOPTG-FQEVSTJZSA-N 0 0 405.567 6.225 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1C)CCCC3 ZINC000033265524 558985554 /nfs/dbraw/zinc/98/55/54/558985554.db2.gz QBOJXGJUYXOPTG-HXUWFJFHSA-N 0 0 405.567 6.225 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(OC)cc1)CCCC3 ZINC000033265525 558985622 /nfs/dbraw/zinc/98/56/22/558985622.db2.gz UPSHHECRNZDOML-FQEVSTJZSA-N 0 0 421.566 5.925 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(OC)cc1)CCCC3 ZINC000033265526 558985543 /nfs/dbraw/zinc/98/55/43/558985543.db2.gz UPSHHECRNZDOML-HXUWFJFHSA-N 0 0 421.566 5.925 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C)c1)CCCC3 ZINC000033265533 558985617 /nfs/dbraw/zinc/98/56/17/558985617.db2.gz GVYBFFYJANBDRW-FQEVSTJZSA-N 0 0 405.567 6.225 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc(C)c1)CCCC3 ZINC000033265534 568512251 /nfs/dbraw/zinc/51/22/51/568512251.db2.gz GVYBFFYJANBDRW-HXUWFJFHSA-N 0 0 405.567 6.225 50 0 HKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccccc1)CCCC3 ZINC000033265541 558985573 /nfs/dbraw/zinc/98/55/73/558985573.db2.gz UNXICMXWIFTTFU-FQEVSTJZSA-N 0 0 405.567 5.594 50 0 HKAARN CC[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCc1ccccc1)CCCC3 ZINC000033265542 558985546 /nfs/dbraw/zinc/98/55/46/558985546.db2.gz UNXICMXWIFTTFU-HXUWFJFHSA-N 0 0 405.567 5.594 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265551 568512170 /nfs/dbraw/zinc/51/21/70/568512170.db2.gz ILSZAEZEAQRWIA-HNNXBMFYSA-N 0 0 407.539 5.535 50 0 HKAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265552 558985727 /nfs/dbraw/zinc/98/57/27/558985727.db2.gz ILSZAEZEAQRWIA-OAHLLOKOSA-N 0 0 407.539 5.535 50 0 HKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CCCC4)cc1 ZINC000033265565 558985709 /nfs/dbraw/zinc/98/57/09/558985709.db2.gz PKUANCAIPNXONL-HNNXBMFYSA-N 0 0 407.539 5.535 50 0 HKAARN COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1 ZINC000033265566 558985814 /nfs/dbraw/zinc/98/58/14/558985814.db2.gz PKUANCAIPNXONL-OAHLLOKOSA-N 0 0 407.539 5.535 50 0 HKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265569 558985807 /nfs/dbraw/zinc/98/58/07/558985807.db2.gz UWXXJNRQUUIVFM-INIZCTEOSA-N 0 0 421.566 5.925 50 0 HKAARN CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265570 558985725 /nfs/dbraw/zinc/98/57/25/558985725.db2.gz UWXXJNRQUUIVFM-MRXNPFEDSA-N 0 0 421.566 5.925 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265579 558985777 /nfs/dbraw/zinc/98/57/77/558985777.db2.gz GYAQAMJZQZOWPP-INIZCTEOSA-N 0 0 405.567 6.089 50 0 HKAARN CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265580 568512240 /nfs/dbraw/zinc/51/22/40/568512240.db2.gz GYAQAMJZQZOWPP-MRXNPFEDSA-N 0 0 405.567 6.089 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033265583 558985759 /nfs/dbraw/zinc/98/57/59/558985759.db2.gz ONKRRYDWSOWMIC-INIZCTEOSA-N 0 0 421.566 5.843 50 0 HKAARN COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CCCC3 ZINC000033265584 558985816 /nfs/dbraw/zinc/98/58/16/558985816.db2.gz ONKRRYDWSOWMIC-MRXNPFEDSA-N 0 0 421.566 5.843 50 0 HKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCc1ccccc1)CCCC3 ZINC000033265595 558985790 /nfs/dbraw/zinc/98/57/90/558985790.db2.gz ABDHKYYMMPIOAY-KRWDZBQOSA-N 0 0 405.567 5.247 50 0 HKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCc1ccccc1)CCCC3 ZINC000033265596 558985740 /nfs/dbraw/zinc/98/57/40/558985740.db2.gz ABDHKYYMMPIOAY-QGZVFWFLSA-N 0 0 405.567 5.247 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CN(C)CC4)c1 ZINC000033265603 558985733 /nfs/dbraw/zinc/98/57/33/558985733.db2.gz MQICLDAUIPUCOH-KRWDZBQOSA-N 0 0 420.582 5.252 50 0 HKAARN Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CN(C)CC4)c1 ZINC000033265604 558985820 /nfs/dbraw/zinc/98/58/20/558985820.db2.gz MQICLDAUIPUCOH-QGZVFWFLSA-N 0 0 420.582 5.252 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)ccc1Br ZINC000033267212 558989088 /nfs/dbraw/zinc/98/90/88/558989088.db2.gz OPLCWLNGWWECDW-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267217 568512192 /nfs/dbraw/zinc/51/21/92/568512192.db2.gz NLFVIQRHFBLPHD-UHFFFAOYSA-N 0 0 418.294 5.620 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267218 558989069 /nfs/dbraw/zinc/98/90/69/558989069.db2.gz KKFRZNURMMFESX-UHFFFAOYSA-N 0 0 403.869 5.520 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000033267219 558989165 /nfs/dbraw/zinc/98/91/65/558989165.db2.gz UMLMPTPLAXDINI-UHFFFAOYSA-N 0 0 413.477 5.347 50 0 HKAARN Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccn4)nc4ccccc43)c2c1 ZINC000033267222 558988904 /nfs/dbraw/zinc/98/89/04/558988904.db2.gz IOFSWXKTSSARMU-UHFFFAOYSA-N 0 0 406.489 5.059 50 0 HKAARN CC1CCN(c2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)cc2)CC1 ZINC000033267237 558989679 /nfs/dbraw/zinc/98/96/79/558989679.db2.gz VMPBCZHRZWZSDU-UHFFFAOYSA-N 0 0 422.532 5.785 50 0 HKAARN O=C(Nc1cc(-c2cccc(F)c2)no1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267241 558989599 /nfs/dbraw/zinc/98/95/99/558989599.db2.gz OQTJWSAACIGRHP-UHFFFAOYSA-N 0 0 410.408 5.343 50 0 HKAARN C[C@@H](NC(=O)c1sc2ncccc2c1-n1cccc1)C12CC3CC(CC(C3)C1)C2 ZINC000033267646 558990137 /nfs/dbraw/zinc/99/01/37/558990137.db2.gz PIHLGEHLQVGVDC-LJQCHSNASA-N 0 0 405.567 5.422 50 0 HKAARN C[C@H](NC(=O)c1sc2ncccc2c1-n1cccc1)C12CC3CC(CC(C3)C1)C2 ZINC000033267647 558990074 /nfs/dbraw/zinc/99/00/74/558990074.db2.gz PIHLGEHLQVGVDC-KSKOPSKJSA-N 0 0 405.567 5.422 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267695 558990157 /nfs/dbraw/zinc/99/01/57/558990157.db2.gz OAGLSMZSWKESEF-SFHVURJKSA-N 0 0 420.900 5.179 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267696 558990101 /nfs/dbraw/zinc/99/01/01/558990101.db2.gz OAGLSMZSWKESEF-GOSISDBHSA-N 0 0 420.900 5.179 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267703 558990120 /nfs/dbraw/zinc/99/01/20/558990120.db2.gz UOVNZZMFTCISGX-IBGZPJMESA-N 0 0 404.901 5.478 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267704 558990160 /nfs/dbraw/zinc/99/01/60/558990160.db2.gz UOVNZZMFTCISGX-LJQANCHMSA-N 0 0 404.901 5.478 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267715 568512328 /nfs/dbraw/zinc/51/23/28/568512328.db2.gz BERXEVJWAZWFNM-SFHVURJKSA-N 0 0 404.901 5.478 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267716 558990149 /nfs/dbraw/zinc/99/01/49/558990149.db2.gz BERXEVJWAZWFNM-GOSISDBHSA-N 0 0 404.901 5.478 50 0 HKAARN O=C(NCc1ccc(F)cc1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033267751 558990254 /nfs/dbraw/zinc/99/02/54/558990254.db2.gz ISSBBYHCLIFJHE-NRFANRHFSA-N 0 0 405.448 5.077 50 0 HKAARN O=C(NCc1ccc(F)cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033267752 568512327 /nfs/dbraw/zinc/51/23/27/568512327.db2.gz ISSBBYHCLIFJHE-OAQYLSRUSA-N 0 0 405.448 5.077 50 0 HKAARN COc1ccc([C@@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000033267755 558990270 /nfs/dbraw/zinc/99/02/70/558990270.db2.gz ZEFRMPLBXXHGAP-HXUWFJFHSA-N 0 0 415.493 5.139 50 0 HKAARN COc1ccc([C@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000033267756 558990292 /nfs/dbraw/zinc/99/02/92/558990292.db2.gz ZEFRMPLBXXHGAP-FQEVSTJZSA-N 0 0 415.493 5.139 50 0 HKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000033267783 558990303 /nfs/dbraw/zinc/99/03/03/558990303.db2.gz LBZMFJOFHGDKKS-FQEVSTJZSA-N 0 0 415.493 5.139 50 0 HKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000033267784 558990299 /nfs/dbraw/zinc/99/02/99/558990299.db2.gz LBZMFJOFHGDKKS-HXUWFJFHSA-N 0 0 415.493 5.139 50 0 HKAARN COc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c(OC)c1 ZINC000033267797 558990286 /nfs/dbraw/zinc/99/02/86/558990286.db2.gz HRXUERAFDSHCSH-FQEVSTJZSA-N 0 0 415.493 5.139 50 0 HKAARN COc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c(OC)c1 ZINC000033267798 558990225 /nfs/dbraw/zinc/99/02/25/558990225.db2.gz HRXUERAFDSHCSH-HXUWFJFHSA-N 0 0 415.493 5.139 50 0 HKAARN CCn1cc([C@@H](CNC(=O)Nc2ccc(OC)cc2)c2cccnc2)c2ccccc21 ZINC000033267805 558990251 /nfs/dbraw/zinc/99/02/51/558990251.db2.gz GJDAFHWAYZHKRX-QFIPXVFZSA-N 0 0 414.509 5.018 50 0 HKAARN CCn1cc([C@H](CNC(=O)Nc2ccc(OC)cc2)c2cccnc2)c2ccccc21 ZINC000033267806 558990276 /nfs/dbraw/zinc/99/02/76/558990276.db2.gz GJDAFHWAYZHKRX-JOCHJYFZSA-N 0 0 414.509 5.018 50 0 HKAARN Cn1cc([C@@H](CNC(=O)Nc2cccc(Cl)c2)c2cccnc2)c2ccccc21 ZINC000033267825 558990237 /nfs/dbraw/zinc/99/02/37/558990237.db2.gz OECCKTIWSUKQEZ-FQEVSTJZSA-N 0 0 404.901 5.180 50 0 HKAARN Cn1cc([C@H](CNC(=O)Nc2cccc(Cl)c2)c2cccnc2)c2ccccc21 ZINC000033267826 558990262 /nfs/dbraw/zinc/99/02/62/558990262.db2.gz OECCKTIWSUKQEZ-HXUWFJFHSA-N 0 0 404.901 5.180 50 0 HKAARN Cn1cc([C@@H](CNC(=O)Nc2ccccc2Cl)c2cccnc2)c2ccccc21 ZINC000033267827 558990233 /nfs/dbraw/zinc/99/02/33/558990233.db2.gz AHXWYHXMQVUKFD-SFHVURJKSA-N 0 0 404.901 5.180 50 0 HKAARN Cn1cc([C@H](CNC(=O)Nc2ccccc2Cl)c2cccnc2)c2ccccc21 ZINC000033267828 558990210 /nfs/dbraw/zinc/99/02/10/558990210.db2.gz AHXWYHXMQVUKFD-GOSISDBHSA-N 0 0 404.901 5.180 50 0 HKAARN Cc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1Cl ZINC000033267837 558990297 /nfs/dbraw/zinc/99/02/97/558990297.db2.gz WCQQEFAMYDLHPI-FQEVSTJZSA-N 0 0 418.928 5.489 50 0 HKAARN Cc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1Cl ZINC000033267838 558990231 /nfs/dbraw/zinc/99/02/31/558990231.db2.gz WCQQEFAMYDLHPI-HXUWFJFHSA-N 0 0 418.928 5.489 50 0 HKAARN Cc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c(Cl)c1 ZINC000033267845 558990214 /nfs/dbraw/zinc/99/02/14/558990214.db2.gz NIJLANQXBYGWDE-IBGZPJMESA-N 0 0 418.928 5.489 50 0 HKAARN Cc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c(Cl)c1 ZINC000033267846 558990280 /nfs/dbraw/zinc/99/02/80/558990280.db2.gz NIJLANQXBYGWDE-LJQANCHMSA-N 0 0 418.928 5.489 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NC[C@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267869 558990425 /nfs/dbraw/zinc/99/04/25/558990425.db2.gz KEQZZDSVTHKLCM-IBGZPJMESA-N 0 0 418.928 5.489 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267870 558990452 /nfs/dbraw/zinc/99/04/52/558990452.db2.gz KEQZZDSVTHKLCM-LJQANCHMSA-N 0 0 418.928 5.489 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 ZINC000033267927 558990407 /nfs/dbraw/zinc/99/04/07/558990407.db2.gz HHRWNELMLUZHET-UHFFFAOYSA-N 0 0 423.925 5.037 50 0 HKAARN Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2NCc2ccccc2Cl)cc1 ZINC000033267932 558990383 /nfs/dbraw/zinc/99/03/83/558990383.db2.gz OLTQYYWCQZATTR-UHFFFAOYSA-N 0 0 423.925 5.037 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccccc1 ZINC000033267958 558990466 /nfs/dbraw/zinc/99/04/66/558990466.db2.gz NUMIZCBIDBSMNF-UHFFFAOYSA-N 0 0 406.576 6.136 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccccc1C ZINC000033267962 558990441 /nfs/dbraw/zinc/99/04/41/558990441.db2.gz MRXAOVIWOMPOAN-UHFFFAOYSA-N 0 0 420.603 6.444 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1cccc(C)c1 ZINC000033267963 558990450 /nfs/dbraw/zinc/99/04/50/558990450.db2.gz UBIZBXJIOKVQGX-UHFFFAOYSA-N 0 0 420.603 6.444 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccccc1F ZINC000033267967 558990592 /nfs/dbraw/zinc/99/05/92/558990592.db2.gz FRPWMJWDXRCPAY-UHFFFAOYSA-N 0 0 424.566 6.275 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1cccc(F)c1 ZINC000033267968 558990578 /nfs/dbraw/zinc/99/05/78/558990578.db2.gz ZUTLZTCHQQUXLF-UHFFFAOYSA-N 0 0 424.566 6.275 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccc(F)cc1 ZINC000033267969 558990613 /nfs/dbraw/zinc/99/06/13/558990613.db2.gz PCEUZPZHXHOMDD-UHFFFAOYSA-N 0 0 424.566 6.275 50 0 HKAARN CCCn1c(=O)c2sc(-c3ccc(C)cc3)cc2nc1SCc1ccc(C)cc1 ZINC000033267985 568512360 /nfs/dbraw/zinc/51/23/60/568512360.db2.gz IRPGIYXSRRJTQC-UHFFFAOYSA-N 0 0 420.603 6.444 50 0 HKAARN CCOc1cccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)c1 ZINC000033267989 558990611 /nfs/dbraw/zinc/99/06/11/558990611.db2.gz QEWYOTCJRXUOAE-UHFFFAOYSA-N 0 0 408.458 5.024 50 0 HKAARN Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1Cl ZINC000033267990 558990544 /nfs/dbraw/zinc/99/05/44/558990544.db2.gz AHWDRNJEOGUANT-UHFFFAOYSA-N 0 0 416.840 5.418 50 0 HKAARN Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncnc(Cl)c32)cc1Cl ZINC000033268074 568512309 /nfs/dbraw/zinc/51/23/09/568512309.db2.gz LYUCJZWGYKFCIB-UHFFFAOYSA-N 0 0 411.292 5.352 50 0 HKAARN COc1cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033268280 558991442 /nfs/dbraw/zinc/99/14/42/558991442.db2.gz IMKRDLNNKDKWTF-NRFANRHFSA-N 0 0 421.884 5.609 50 0 HKAARN COc1cc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033268281 558991505 /nfs/dbraw/zinc/99/15/05/558991505.db2.gz IMKRDLNNKDKWTF-OAQYLSRUSA-N 0 0 421.884 5.609 50 0 HKAARN Fc1ccc([C@@H](Nc2ccc(Br)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000033268290 558991490 /nfs/dbraw/zinc/99/14/90/558991490.db2.gz JQHPJJIEPUJACL-LJQANCHMSA-N 0 0 424.273 5.840 50 0 HKAARN Fc1ccc([C@H](Nc2ccc(Br)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000033268291 558991473 /nfs/dbraw/zinc/99/14/73/558991473.db2.gz JQHPJJIEPUJACL-IBGZPJMESA-N 0 0 424.273 5.840 50 0 HKAARN Cc1cc(SCC(=O)Nc2cccc(C)c2C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268947 558993287 /nfs/dbraw/zinc/99/32/87/558993287.db2.gz OETRORGQCZZRHE-UHFFFAOYSA-N 0 0 420.513 5.191 50 0 HKAARN CCc1ccccc1NC(=O)CSc1cc(C)nc2c(-c3ccc(F)cc3)cnn21 ZINC000033268948 558993248 /nfs/dbraw/zinc/99/32/48/558993248.db2.gz LHOPPVLZDOGQNY-UHFFFAOYSA-N 0 0 420.513 5.137 50 0 HKAARN CCc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000033268949 558993494 /nfs/dbraw/zinc/99/34/94/558993494.db2.gz HWJHOXXFPZFTDQ-UHFFFAOYSA-N 0 0 420.513 5.137 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000033268960 558993488 /nfs/dbraw/zinc/99/34/88/558993488.db2.gz YOGGRPWGDMZFKC-UHFFFAOYSA-N 0 0 420.513 5.191 50 0 HKAARN Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c(C)c1 ZINC000033268961 558993462 /nfs/dbraw/zinc/99/34/62/558993462.db2.gz IPPWAUHMYHTGGC-UHFFFAOYSA-N 0 0 420.513 5.191 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000033268967 558993456 /nfs/dbraw/zinc/99/34/56/558993456.db2.gz GLDWMZYGIMOXCV-UHFFFAOYSA-N 0 0 420.513 5.191 50 0 HKAARN CCc1cccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000033268972 558993472 /nfs/dbraw/zinc/99/34/72/558993472.db2.gz UZKSVJILZJDBMY-UHFFFAOYSA-N 0 0 420.513 5.137 50 0 HKAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268978 558993490 /nfs/dbraw/zinc/99/34/90/558993490.db2.gz SZRWJYVKMRCRBM-UHFFFAOYSA-N 0 0 424.476 5.022 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CCCc1nc2cccnc2n1-c1ccccc1 ZINC000033269146 558994214 /nfs/dbraw/zinc/99/42/14/558994214.db2.gz NDRMUNWPADJSLT-UHFFFAOYSA-N 0 0 404.901 5.344 50 0 HKAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000033269847 558763315 /nfs/dbraw/zinc/76/33/15/558763315.db2.gz BDRQRAKKUHLRGM-HNNXBMFYSA-N 0 0 403.841 5.025 50 0 HKAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000033269848 558763340 /nfs/dbraw/zinc/76/33/40/558763340.db2.gz BDRQRAKKUHLRGM-OAHLLOKOSA-N 0 0 403.841 5.025 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000033270005 568512361 /nfs/dbraw/zinc/51/23/61/568512361.db2.gz ICZQIRGPFMRVRQ-INIZCTEOSA-N 0 0 417.868 5.531 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000033270006 559032539 /nfs/dbraw/zinc/03/25/39/559032539.db2.gz ICZQIRGPFMRVRQ-MRXNPFEDSA-N 0 0 417.868 5.531 50 0 HKAARN CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000033270275 558763546 /nfs/dbraw/zinc/76/35/46/558763546.db2.gz IYNQOYJEQQZCHO-NRFANRHFSA-N 0 0 402.560 5.372 50 0 HKAARN CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000033270276 558763674 /nfs/dbraw/zinc/76/36/74/558763674.db2.gz IYNQOYJEQQZCHO-OAQYLSRUSA-N 0 0 402.560 5.372 50 0 HKAARN CCCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000033270277 558763595 /nfs/dbraw/zinc/76/35/95/558763595.db2.gz HOCQVNSTMXNMAI-QFIPXVFZSA-N 0 0 402.560 5.201 50 0 HKAARN CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000033270278 558763649 /nfs/dbraw/zinc/76/36/49/558763649.db2.gz HOCQVNSTMXNMAI-JOCHJYFZSA-N 0 0 402.560 5.201 50 0 HKAARN CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)on1 ZINC000033270443 558763541 /nfs/dbraw/zinc/76/35/41/558763541.db2.gz FERVBDZTHFPWOB-NRFANRHFSA-N 0 0 402.560 5.372 50 0 HKAARN CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)on1 ZINC000033270444 558763591 /nfs/dbraw/zinc/76/35/91/558763591.db2.gz FERVBDZTHFPWOB-OAQYLSRUSA-N 0 0 402.560 5.372 50 0 HKAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270789 559032536 /nfs/dbraw/zinc/03/25/36/559032536.db2.gz YGAODLSCCQYUEE-UHFFFAOYSA-N 0 0 424.551 5.160 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000033271093 568512317 /nfs/dbraw/zinc/51/23/17/568512317.db2.gz MORTZRFZIJADJP-AGRHKRQWSA-N 0 0 422.294 5.240 50 0 HKAARN COc1cc([C@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1OC ZINC000033271094 559032658 /nfs/dbraw/zinc/03/26/58/559032658.db2.gz MORTZRFZIJADJP-BKTGTZMESA-N 0 0 422.294 5.240 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)ccc1OC ZINC000033271111 559032660 /nfs/dbraw/zinc/03/26/60/559032660.db2.gz FOQNSVXEONOTQH-JHVJFLLYSA-N 0 0 418.331 5.491 50 0 HKAARN CCOc1cc([C@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)ccc1OC ZINC000033271112 559032636 /nfs/dbraw/zinc/03/26/36/559032636.db2.gz FOQNSVXEONOTQH-RVHYNSKXSA-N 0 0 418.331 5.491 50 0 HKAARN CCOc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000033271149 559032634 /nfs/dbraw/zinc/03/26/34/559032634.db2.gz JIQIWVMRLLLUIX-AGRHKRQWSA-N 0 0 422.294 5.240 50 0 HKAARN CCOc1cc([C@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000033271150 559032641 /nfs/dbraw/zinc/03/26/41/559032641.db2.gz JIQIWVMRLLLUIX-BKTGTZMESA-N 0 0 422.294 5.240 50 0 HKAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2 ZINC000033271181 559033112 /nfs/dbraw/zinc/03/31/12/559033112.db2.gz PCEYYOSHKLPLIM-GKCIPKSASA-N 0 0 418.331 5.273 50 0 HKAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cc(Br)c(OC)c(OC)c1)N2 ZINC000033271182 559033110 /nfs/dbraw/zinc/03/31/10/559033110.db2.gz PCEYYOSHKLPLIM-KPOBHBOGSA-N 0 0 418.331 5.273 50 0 HKAARN COc1cc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000033271193 559032774 /nfs/dbraw/zinc/03/27/74/559032774.db2.gz USIWIRGRLRBHEM-GKCIPKSASA-N 0 0 418.331 5.328 50 0 HKAARN COc1cc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000033271194 559032706 /nfs/dbraw/zinc/03/27/06/559032706.db2.gz USIWIRGRLRBHEM-KPOBHBOGSA-N 0 0 418.331 5.328 50 0 HKAARN CCOc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(C)cc2[C@H]2OCC[C@H]21 ZINC000033271195 559032729 /nfs/dbraw/zinc/03/27/29/559032729.db2.gz VECRRPPXHOWKRX-RVHYNSKXSA-N 0 0 402.332 5.709 50 0 HKAARN CCOc1ccc(Br)cc1[C@H]1Nc2c(C)cc(C)cc2[C@H]2OCC[C@H]21 ZINC000033271196 559032715 /nfs/dbraw/zinc/03/27/15/559032715.db2.gz VECRRPPXHOWKRX-JHVJFLLYSA-N 0 0 402.332 5.709 50 0 HKAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271464 559032918 /nfs/dbraw/zinc/03/29/18/559032918.db2.gz WYYHGOWRBMTBOR-KRWDZBQOSA-N 0 0 402.523 5.135 50 0 HKAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271465 559032929 /nfs/dbraw/zinc/03/29/29/559032929.db2.gz WYYHGOWRBMTBOR-QGZVFWFLSA-N 0 0 402.523 5.135 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000033271538 559033047 /nfs/dbraw/zinc/03/30/47/559033047.db2.gz FSRKMQCDPTXVMU-SFHVURJKSA-N 0 0 416.550 5.696 50 0 HKAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000033271539 568512355 /nfs/dbraw/zinc/51/23/55/568512355.db2.gz FSRKMQCDPTXVMU-GOSISDBHSA-N 0 0 416.550 5.696 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033271860 559033089 /nfs/dbraw/zinc/03/30/89/559033089.db2.gz RRTCCBZSBKGEQT-UHFFFAOYSA-N 0 0 420.534 5.176 50 0 HKAARN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271981 132783046 /nfs/dbraw/zinc/78/30/46/132783046.db2.gz FKXPJNYRTNDQQJ-UHFFFAOYSA-N 0 0 420.534 5.176 50 0 HKAARN Cc1cc(C(=O)Nc2ccccc2C(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272038 132783026 /nfs/dbraw/zinc/78/30/26/132783026.db2.gz QIGUFQKRMFMPFU-UHFFFAOYSA-N 0 0 420.534 5.176 50 0 HKAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(Cl)cc4C)c(C)n3)c2)no1 ZINC000033275255 559034725 /nfs/dbraw/zinc/03/47/25/559034725.db2.gz XYUHDDKWVYNPRW-UHFFFAOYSA-N 0 0 421.888 5.062 50 0 HKAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cc(Cl)ccc4C)c(C)n3)c2)no1 ZINC000033275256 559034748 /nfs/dbraw/zinc/03/47/48/559034748.db2.gz KQNRSEQCYDZAAS-UHFFFAOYSA-N 0 0 421.888 5.062 50 0 HKAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cccc(Cl)c4C)c(C)n3)c2)no1 ZINC000033275280 559034867 /nfs/dbraw/zinc/03/48/67/559034867.db2.gz WURFGQHZRNSMKP-UHFFFAOYSA-N 0 0 421.888 5.062 50 0 HKAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3)c2)no1 ZINC000033275281 559034906 /nfs/dbraw/zinc/03/49/06/559034906.db2.gz QFLNNBXMHVTZEX-UHFFFAOYSA-N 0 0 421.888 5.062 50 0 HKAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C(C)C)cc4)c(C)n3)c2)no1 ZINC000033275288 559034874 /nfs/dbraw/zinc/03/48/74/559034874.db2.gz MICSESSPIMHKQM-UHFFFAOYSA-N 0 0 415.497 5.223 50 0 HKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccc(Cl)cc1)NCc1ccccn1 ZINC000033275337 559034969 /nfs/dbraw/zinc/03/49/69/559034969.db2.gz BZBUFDWHULMHMR-UHFFFAOYSA-N 0 0 407.926 5.226 50 0 HKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccc(Cl)cc1)NCc1cccnc1 ZINC000033275338 559034963 /nfs/dbraw/zinc/03/49/63/559034963.db2.gz WIVKGQNUOSBRMF-UHFFFAOYSA-N 0 0 407.926 5.226 50 0 HKAARN CCc1ccc(NC(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)cc1 ZINC000033275951 559035544 /nfs/dbraw/zinc/03/55/44/559035544.db2.gz FXJULQBCQCAIAV-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(C)c2)cc1 ZINC000033275964 559035519 /nfs/dbraw/zinc/03/55/19/559035519.db2.gz NPHOAQFGLLQCNX-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n2ncnc2n1 ZINC000033275978 559035539 /nfs/dbraw/zinc/03/55/39/559035539.db2.gz PSTSBCBBUKKGTG-UHFFFAOYSA-N 0 0 422.489 5.011 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)n2ncnc2n1 ZINC000033275982 559035558 /nfs/dbraw/zinc/03/55/58/559035558.db2.gz XZDIJFAEQCIEQU-UHFFFAOYSA-N 0 0 418.526 5.180 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3cccc(C)c3)cc2)n2ncnc2n1 ZINC000033275985 568512512 /nfs/dbraw/zinc/51/25/12/568512512.db2.gz VFPBUSDYTHDEPP-UHFFFAOYSA-N 0 0 418.526 5.180 50 0 HKAARN CCCc1cc(Sc2ccc(NC(=O)Nc3cccc(F)c3)cc2)n2ncnc2n1 ZINC000033275991 559035562 /nfs/dbraw/zinc/03/55/62/559035562.db2.gz AETHLSBJBPEQQA-UHFFFAOYSA-N 0 0 422.489 5.011 50 0 HKAARN CCc1cc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n2ncnc2n1 ZINC000033275992 559035573 /nfs/dbraw/zinc/03/55/73/559035573.db2.gz XDHMDZKFENELCZ-UHFFFAOYSA-N 0 0 424.917 5.135 50 0 HKAARN Cc1nc2nc(C)cc(Sc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)n2n1 ZINC000033275994 559035571 /nfs/dbraw/zinc/03/55/71/559035571.db2.gz NXXUFHHSOJGSCT-UHFFFAOYSA-N 0 0 424.917 5.190 50 0 HKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)n2nc(C)nc2n1 ZINC000033276009 559035510 /nfs/dbraw/zinc/03/55/10/559035510.db2.gz ZZYDZHHQFSQJPR-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccccc3C)cc2)n2nc(C)nc2n1 ZINC000033276010 559035513 /nfs/dbraw/zinc/03/55/13/559035513.db2.gz SZGWOAMMECYCAK-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN CCc1cc(Sc2ccc(NC(=O)Nc3cccc(C)c3)cc2)n2nc(C)nc2n1 ZINC000033276016 568512529 /nfs/dbraw/zinc/51/25/29/568512529.db2.gz PXFNQFNVPJFRQU-UHFFFAOYSA-N 0 0 418.526 5.099 50 0 HKAARN Cn1c(C(=O)NCc2ccccc2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277416 559040150 /nfs/dbraw/zinc/04/01/50/559040150.db2.gz GZPBFELQIZPLBC-UHFFFAOYSA-N 0 0 412.518 5.023 50 0 HKAARN Cn1c(C(=O)NC2CCCCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277431 559040187 /nfs/dbraw/zinc/04/01/87/559040187.db2.gz PTJRYNXHOMVGRV-UHFFFAOYSA-N 0 0 404.539 5.155 50 0 HKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cc(C)ccc1C ZINC000033278193 559041543 /nfs/dbraw/zinc/04/15/43/559041543.db2.gz FIJGDQLZNAZTOP-UHFFFAOYSA-N 0 0 406.576 6.054 50 0 HKAARN CCn1c(SCc2cccc(OC)c2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278194 559041578 /nfs/dbraw/zinc/04/15/78/559041578.db2.gz YFWYZPTVNFVCLN-UHFFFAOYSA-N 0 0 408.548 5.446 50 0 HKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccccc1Cl ZINC000033278199 568512658 /nfs/dbraw/zinc/51/26/58/568512658.db2.gz VQXVHFMCCCUEBV-UHFFFAOYSA-N 0 0 412.967 6.091 50 0 HKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(Cl)c1 ZINC000033278200 568512700 /nfs/dbraw/zinc/51/27/00/568512700.db2.gz OQKWTMUJEBPZEM-UHFFFAOYSA-N 0 0 412.967 6.091 50 0 HKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccc(Cl)cc1 ZINC000033278201 559041501 /nfs/dbraw/zinc/04/15/01/559041501.db2.gz HVCXSFTYDDKZAE-UHFFFAOYSA-N 0 0 412.967 6.091 50 0 HKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc21 ZINC000033278491 559041965 /nfs/dbraw/zinc/04/19/65/559041965.db2.gz YCDJMLZCZHYOBA-UHFFFAOYSA-N 0 0 419.431 6.141 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1 ZINC000033278493 559041924 /nfs/dbraw/zinc/04/19/24/559041924.db2.gz AAYVIBQUIBSGFK-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(C)cc3)cc(OC)c2c1 ZINC000033278497 559041840 /nfs/dbraw/zinc/04/18/40/559041840.db2.gz PFOIICLEJALDHB-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)cc1 ZINC000033278504 559041980 /nfs/dbraw/zinc/04/19/80/559041980.db2.gz ZSDNHMXGMVBJGJ-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc21 ZINC000033278506 559041861 /nfs/dbraw/zinc/04/18/61/559041861.db2.gz ITJYBQHUUGTZFK-UHFFFAOYSA-N 0 0 419.431 6.141 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033278512 559041954 /nfs/dbraw/zinc/04/19/54/559041954.db2.gz GGITXNQVQVLXJQ-UHFFFAOYSA-N 0 0 415.468 6.392 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033278514 559041917 /nfs/dbraw/zinc/04/19/17/559041917.db2.gz CUEIIHZZXFKMFJ-UHFFFAOYSA-N 0 0 403.526 6.063 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278515 559041895 /nfs/dbraw/zinc/04/18/95/559041895.db2.gz OTCDCWLOBXCQAD-UHFFFAOYSA-N 0 0 411.505 5.931 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3)cc21 ZINC000033278518 559041906 /nfs/dbraw/zinc/04/19/06/559041906.db2.gz GJNJESYFFYWCQC-UHFFFAOYSA-N 0 0 411.505 6.561 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278521 559041884 /nfs/dbraw/zinc/04/18/84/559041884.db2.gz FFUPEVYXJOSANW-UHFFFAOYSA-N 0 0 411.505 6.561 50 0 HKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033278527 559041899 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COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278570 559042010 /nfs/dbraw/zinc/04/20/10/559042010.db2.gz CILJYLSKUIXYKZ-UHFFFAOYSA-N 0 0 401.441 5.371 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OC)c2c1 ZINC000033278572 559042059 /nfs/dbraw/zinc/04/20/59/559042059.db2.gz KCRCXCXKSHWUCI-UHFFFAOYSA-N 0 0 417.440 5.702 50 0 HKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278576 559042041 /nfs/dbraw/zinc/04/20/41/559042041.db2.gz SHVMJYRCPHQMNF-UHFFFAOYSA-N 0 0 401.441 6.002 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc1 ZINC000033278578 559042049 /nfs/dbraw/zinc/04/20/49/559042049.db2.gz GMMKRMURWCWWBE-UHFFFAOYSA-N 0 0 417.440 5.702 50 0 HKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000033278579 559042060 /nfs/dbraw/zinc/04/20/60/559042060.db2.gz QTYCITVWJYYODM-UHFFFAOYSA-N 0 0 419.431 6.141 50 0 HKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc21 ZINC000033278580 559042003 /nfs/dbraw/zinc/04/20/03/559042003.db2.gz VDCZJADGFKGSTJ-UHFFFAOYSA-N 0 0 423.394 5.972 50 0 HKAARN CCc1ccccc1NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OC)c2c1 ZINC000033278581 559042013 /nfs/dbraw/zinc/04/20/13/559042013.db2.gz PMMZQNOPPJXOCL-UHFFFAOYSA-N 0 0 415.468 6.256 50 0 HKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000033278583 559042057 /nfs/dbraw/zinc/04/20/57/559042057.db2.gz RJNJLEVSAHMDSZ-UHFFFAOYSA-N 0 0 415.468 6.310 50 0 HKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(F)c3)cc21 ZINC000033278585 559042032 /nfs/dbraw/zinc/04/20/32/559042032.db2.gz KXLCFBINGIFILN-UHFFFAOYSA-N 0 0 405.404 5.833 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278591 559042068 /nfs/dbraw/zinc/04/20/68/559042068.db2.gz AFCOWGXCCBNOEK-UHFFFAOYSA-N 0 0 415.468 5.761 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278596 559042043 /nfs/dbraw/zinc/04/20/43/559042043.db2.gz UFVKVPJIYXZOSQ-UHFFFAOYSA-N 0 0 415.468 6.392 50 0 HKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033278602 559041987 /nfs/dbraw/zinc/04/19/87/559041987.db2.gz FXORETZXDMIGLC-UHFFFAOYSA-N 0 0 419.431 6.223 50 0 HKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033278645 559042182 /nfs/dbraw/zinc/04/21/82/559042182.db2.gz BNNFKNHQEJPTBI-UHFFFAOYSA-N 0 0 421.859 6.347 50 0 HKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033278647 559042154 /nfs/dbraw/zinc/04/21/54/559042154.db2.gz JPVYJQQYGHFAMU-UHFFFAOYSA-N 0 0 409.917 6.018 50 0 HKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278648 559042143 /nfs/dbraw/zinc/04/21/43/559042143.db2.gz LPLIAIJAMLEUGY-UHFFFAOYSA-N 0 0 417.896 5.886 50 0 HKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278653 559042152 /nfs/dbraw/zinc/04/21/52/559042152.db2.gz NIYAIRMMAJBLQV-UHFFFAOYSA-N 0 0 417.896 6.516 50 0 HKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)Nc3ccccc3C)cc21 ZINC000033278655 559042157 /nfs/dbraw/zinc/04/21/57/559042157.db2.gz NHFUWBWRFSBWHU-UHFFFAOYSA-N 0 0 417.896 6.516 50 0 HKAARN CCOc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033278668 559042217 /nfs/dbraw/zinc/04/22/17/559042217.db2.gz DSEMDCAFRVHOKD-UHFFFAOYSA-N 0 0 423.944 6.408 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc3nc(-c4cccc(C)c4)cc(OC)c3c2)c1 ZINC000033278726 559042188 /nfs/dbraw/zinc/04/21/88/559042188.db2.gz INMXEGSTKXZHGZ-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN COc1ccccc1NC(=O)Nc1ccc2nc(-c3cccc(C)c3)cc(OC)c2c1 ZINC000033278728 559042189 /nfs/dbraw/zinc/04/21/89/559042189.db2.gz CZXFVVAXWRABRC-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN COc1ccc(NC(=O)Nc2ccc3nc(-c4cccc(C)c4)cc(OC)c3c2)cc1 ZINC000033278730 559042193 /nfs/dbraw/zinc/04/21/93/559042193.db2.gz XAJOZWLXDXGVPR-UHFFFAOYSA-N 0 0 413.477 5.871 50 0 HKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000033278985 559042395 /nfs/dbraw/zinc/04/23/95/559042395.db2.gz ABWAPDDRIKJWOP-UHFFFAOYSA-N 0 0 419.824 5.038 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000033279914 559043484 /nfs/dbraw/zinc/04/34/84/559043484.db2.gz YCYNCTCUMBZVPJ-UHFFFAOYSA-N 0 0 420.900 5.611 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000033279916 559043492 /nfs/dbraw/zinc/04/34/92/559043492.db2.gz ANCPGPOUAVZZIX-UHFFFAOYSA-N 0 0 404.445 5.097 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cccc(C)c2)n1 ZINC000033279923 568513428 /nfs/dbraw/zinc/51/34/28/568513428.db2.gz KYWACKNGXSZBCV-UHFFFAOYSA-N 0 0 400.482 5.266 50 0 HKAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccc(C)cc2)c(Nc2ccc(F)cc2)n1 ZINC000033279928 559043476 /nfs/dbraw/zinc/04/34/76/559043476.db2.gz LWUDBGBOTQACOO-UHFFFAOYSA-N 0 0 418.472 5.405 50 0 HKAARN Cc1sc2c3c([nH]c2c1C(=O)Nc1ccc(Br)cc1F)CCCCC3 ZINC000033280527 559043497 /nfs/dbraw/zinc/04/34/97/559043497.db2.gz BGNNDLKXGJTSHL-UHFFFAOYSA-N 0 0 421.335 5.961 50 0 HKAARN COc1cc(NC(=O)c2c(C)sc3c4c([nH]c32)CCCCC4)cc(OC)c1OC ZINC000033280531 568513455 /nfs/dbraw/zinc/51/34/55/568513455.db2.gz KUZOHBBNWQDRFV-UHFFFAOYSA-N 0 0 414.527 5.085 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)sc2c3c([nH]c21)CCCCC3 ZINC000033280562 559043527 /nfs/dbraw/zinc/04/35/27/559043527.db2.gz TXGGCLVOGYASMJ-UHFFFAOYSA-N 0 0 402.947 6.029 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2c(C)sc3c4c([nH]c32)CCCCC4)c1 ZINC000033280567 559043486 /nfs/dbraw/zinc/04/34/86/559043486.db2.gz IIDHADVXGFLSDB-UHFFFAOYSA-N 0 0 412.555 5.856 50 0 HKAARN COc1cc(Cl)c(NC(=O)c2c(C)sc3c4c([nH]c32)CCCCC4)c(OC)c1 ZINC000033280574 559043504 /nfs/dbraw/zinc/04/35/04/559043504.db2.gz ZUDUAUCTIFOMFD-UHFFFAOYSA-N 0 0 418.946 5.730 50 0 HKAARN O=C(CCC1CCCC1)Nc1ccc(Oc2ccc(C(=O)N3CCCCC3)cc2)nc1 ZINC000033281376 559044827 /nfs/dbraw/zinc/04/48/27/559044827.db2.gz BQVHPTUWVGBORY-UHFFFAOYSA-N 0 0 421.541 5.409 50 0 HKAARN CCC(CC)C(=O)Nc1ccc(Oc2ccc(C(=O)N3CCC(C)CC3)cc2)nc1 ZINC000033281383 559044839 /nfs/dbraw/zinc/04/48/39/559044839.db2.gz LUHXSMBBSHJSKU-UHFFFAOYSA-N 0 0 409.530 5.121 50 0 HKAARN COc1ccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)c(OC)c1 ZINC000033282174 559044942 /nfs/dbraw/zinc/04/49/42/559044942.db2.gz QDVYGBSZIVFYOM-UHFFFAOYSA-N 0 0 407.491 5.417 50 0 HKAARN COc1ccc(OC)c(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)c1 ZINC000033282175 559044935 /nfs/dbraw/zinc/04/49/35/559044935.db2.gz LTSFBMJRGJSJME-UHFFFAOYSA-N 0 0 407.491 5.417 50 0 HKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000033282184 559044949 /nfs/dbraw/zinc/04/49/49/559044949.db2.gz BUHJCARLPDJLBJ-UHFFFAOYSA-N 0 0 405.519 6.187 50 0 HKAARN COc1ccc(-c2noc(-c3cc(N4CCC[C@@H](C)C4)nc4ccccc43)n2)cc1 ZINC000033282528 559045023 /nfs/dbraw/zinc/04/50/23/559045023.db2.gz OHBJIKQLBICLQQ-MRXNPFEDSA-N 0 0 400.482 5.197 50 0 HKAARN COc1ccc(-c2noc(-c3cc(N4CCC[C@H](C)C4)nc4ccccc43)n2)cc1 ZINC000033282529 559045060 /nfs/dbraw/zinc/04/50/60/559045060.db2.gz OHBJIKQLBICLQQ-INIZCTEOSA-N 0 0 400.482 5.197 50 0 HKAARN COc1ccc(-c2noc(-c3cc(N4CCC(C)CC4)nc4ccccc43)n2)cc1 ZINC000033282530 559045033 /nfs/dbraw/zinc/04/50/33/559045033.db2.gz YXUFECZHQQUISI-UHFFFAOYSA-N 0 0 400.482 5.197 50 0 HKAARN Clc1ccc(-c2noc(-c3cc(N4CCSCC4)nc4ccccc43)n2)cc1 ZINC000033282538 559045005 /nfs/dbraw/zinc/04/50/05/559045005.db2.gz AKSQOHAVJBOOPM-UHFFFAOYSA-N 0 0 408.914 5.158 50 0 HKAARN CC1CCN(c2ccc(-c3noc(CCC(=O)Nc4ccc(Cl)cc4)n3)cc2)CC1 ZINC000033283367 568513537 /nfs/dbraw/zinc/51/35/37/568513537.db2.gz NGDMKECICPHNBB-UHFFFAOYSA-N 0 0 424.932 5.198 50 0 HKAARN CCc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033283382 568513557 /nfs/dbraw/zinc/51/35/57/568513557.db2.gz YDXOSINNJKBSJH-UHFFFAOYSA-N 0 0 418.541 5.107 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1C ZINC000033283437 559045272 /nfs/dbraw/zinc/04/52/72/559045272.db2.gz VRVDFVJSLBUXOJ-UHFFFAOYSA-N 0 0 418.541 5.161 50 0 HKAARN Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000033283449 132783982 /nfs/dbraw/zinc/78/39/82/132783982.db2.gz ADQDHRVGRFRNKM-UHFFFAOYSA-N 0 0 418.541 5.161 50 0 HKAARN CCc1cccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000033283460 132784001 /nfs/dbraw/zinc/78/40/01/132784001.db2.gz GJIAVCFKXGJSEK-UHFFFAOYSA-N 0 0 418.541 5.107 50 0 HKAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1Cl ZINC000033283602 568513529 /nfs/dbraw/zinc/51/35/29/568513529.db2.gz XNZLMBIFRVEFPL-UHFFFAOYSA-N 0 0 424.932 5.260 50 0 HKAARN CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033283620 559045295 /nfs/dbraw/zinc/04/52/95/559045295.db2.gz VYFHPMRZZAYNAP-UHFFFAOYSA-N 0 0 418.541 5.422 50 0 HKAARN CCC1C/C(=C/c2ccc(NC(C)=O)cc2)C(=O)/C(=C\c2ccc(NC(C)=O)cc2)C1 ZINC000033285996 571316088 /nfs/dbraw/zinc/31/60/88/571316088.db2.gz RVXPMLMYDJUHRK-OZKZUFLSSA-N 0 0 416.521 5.460 50 0 HKAARN COc1ccc(/C=C\C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000033286031 559043756 /nfs/dbraw/zinc/04/37/56/559043756.db2.gz IOVFSUFUPLLTNV-WDZFZDKYSA-N 0 0 405.841 5.204 50 0 HKAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000033286169 559043743 /nfs/dbraw/zinc/04/37/43/559043743.db2.gz DQLJKBAIRMNSGR-MOSHPQCFSA-N 0 0 408.523 5.179 50 0 HKAARN COc1ccc2oc(/C=C(/C)N(C)C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000033286246 559043717 /nfs/dbraw/zinc/04/37/17/559043717.db2.gz FOBPOILHHDXTTH-QBFSEMIESA-N 0 0 414.299 5.357 50 0 HKAARN COc1ccc(OC)c(/C=C2/CC(C)C/C(=C/c3cc(OC)ccc3OC)C2=O)c1 ZINC000033286942 571316134 /nfs/dbraw/zinc/31/61/34/571316134.db2.gz FHTRKULRRAQYFA-YXZJEIOKSA-N 0 0 408.494 5.187 50 0 HKAARN Cc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)o1 ZINC000033287800 559044280 /nfs/dbraw/zinc/04/42/80/559044280.db2.gz WZFRKRMBUKJIMB-UHFFFAOYSA-N 0 0 421.884 5.213 50 0 HKAARN Cc1ccc2[nH]c(C(=O)NCc3cccs3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000033287833 559044279 /nfs/dbraw/zinc/04/42/79/559044279.db2.gz IYFCKYZSEYLTLE-UHFFFAOYSA-N 0 0 403.507 5.029 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000033288126 568513602 /nfs/dbraw/zinc/51/36/02/568513602.db2.gz VIAZAYZCMQHVJM-KRWDZBQOSA-N 0 0 411.505 5.135 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000033288128 559044263 /nfs/dbraw/zinc/04/42/63/559044263.db2.gz VIAZAYZCMQHVJM-QGZVFWFLSA-N 0 0 411.505 5.135 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000033288150 559044260 /nfs/dbraw/zinc/04/42/60/559044260.db2.gz MJMKFECHOSXYFM-UHFFFAOYSA-N 0 0 421.859 5.047 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000033288152 568513641 /nfs/dbraw/zinc/51/36/41/568513641.db2.gz XELJULNNYIMXLU-UHFFFAOYSA-N 0 0 421.859 5.047 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(Cl)ccc1F ZINC000033288154 568513622 /nfs/dbraw/zinc/51/36/22/568513622.db2.gz NGBKZBNPLZWSHM-UHFFFAOYSA-N 0 0 421.859 5.047 50 0 HKAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000033288171 559044275 /nfs/dbraw/zinc/04/42/75/559044275.db2.gz VGCXTNOCJBLZTB-UHFFFAOYSA-N 0 0 421.859 5.047 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033288202 559044277 /nfs/dbraw/zinc/04/42/77/559044277.db2.gz VNLFGCJJHHGUQN-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000033288205 568513600 /nfs/dbraw/zinc/51/36/00/568513600.db2.gz DSEZPRJOLXUTJN-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000033288212 132784153 /nfs/dbraw/zinc/78/41/53/132784153.db2.gz NXQBDDGGLQACDA-UHFFFAOYSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000033288220 132784297 /nfs/dbraw/zinc/78/42/97/132784297.db2.gz LOYXHDXGIXFZHI-UHFFFAOYSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000033288221 132784287 /nfs/dbraw/zinc/78/42/87/132784287.db2.gz FZXGHHDBVBGQKR-UHFFFAOYSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000033288223 559044267 /nfs/dbraw/zinc/04/42/67/559044267.db2.gz RPMJTJKNVXUUKM-UHFFFAOYSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000033288274 559044255 /nfs/dbraw/zinc/04/42/55/559044255.db2.gz NYOZEZGIYLQHFX-UHFFFAOYSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1 ZINC000033288442 559044344 /nfs/dbraw/zinc/04/43/44/559044344.db2.gz IPFHMHYDNINZAK-LJQANCHMSA-N 0 0 418.566 5.100 50 0 HKAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1 ZINC000033288444 559044384 /nfs/dbraw/zinc/04/43/84/559044384.db2.gz IPFHMHYDNINZAK-IBGZPJMESA-N 0 0 418.566 5.100 50 0 HKAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000033288678 559044353 /nfs/dbraw/zinc/04/43/53/559044353.db2.gz KVRBGJUFBNQXJF-LUAWRHEFSA-N 0 0 400.459 5.344 50 0 HKAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)c1 ZINC000033288789 132784589 /nfs/dbraw/zinc/78/45/89/132784589.db2.gz OTVPRQKCWBNTNZ-LJQANCHMSA-N 0 0 418.566 5.100 50 0 HKAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)c1 ZINC000033288792 559044368 /nfs/dbraw/zinc/04/43/68/559044368.db2.gz OTVPRQKCWBNTNZ-IBGZPJMESA-N 0 0 418.566 5.100 50 0 HKAARN Cc1ccc(Oc2nccnc2Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000033288811 559044351 /nfs/dbraw/zinc/04/43/51/559044351.db2.gz LCBMQDGNPSCRTQ-UHFFFAOYSA-N 0 0 415.424 5.761 50 0 HKAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000033288834 559044388 /nfs/dbraw/zinc/04/43/88/559044388.db2.gz XNSNBMJASUJRGV-UHFFFAOYSA-N 0 0 421.469 5.377 50 0 HKAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000033288835 559044390 /nfs/dbraw/zinc/04/43/90/559044390.db2.gz XTOGFCKEXXJXFY-UHFFFAOYSA-N 0 0 405.907 5.151 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288844 568513625 /nfs/dbraw/zinc/51/36/25/568513625.db2.gz WNIBNXVEVNVONB-UHFFFAOYSA-N 0 0 401.944 5.320 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288845 559044348 /nfs/dbraw/zinc/04/43/48/559044348.db2.gz KSNSWIJURWLOTR-UHFFFAOYSA-N 0 0 401.944 5.320 50 0 HKAARN Cc1ccccc1Sc1nccnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000033288930 559044456 /nfs/dbraw/zinc/04/44/56/559044456.db2.gz ISBDQFAKYVBAQF-UHFFFAOYSA-N 0 0 401.944 5.320 50 0 HKAARN Cc1ccccc1Sc1nccnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000033288931 559044469 /nfs/dbraw/zinc/04/44/69/559044469.db2.gz PKTJYUYQABFSJK-UHFFFAOYSA-N 0 0 401.944 5.320 50 0 HKAARN CCOc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1 ZINC000033288948 559044445 /nfs/dbraw/zinc/04/44/45/559044445.db2.gz TYKDASCJETXUGV-UHFFFAOYSA-N 0 0 411.552 5.066 50 0 HKAARN CSc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288975 559044464 /nfs/dbraw/zinc/04/44/64/559044464.db2.gz DGMVNWWETIPHMX-UHFFFAOYSA-N 0 0 413.593 5.389 50 0 HKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000033289025 559044444 /nfs/dbraw/zinc/04/44/44/559044444.db2.gz QWUZBBWVWLSEDD-UHFFFAOYSA-N 0 0 401.944 5.320 50 0 HKAARN CCOc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289039 559044459 /nfs/dbraw/zinc/04/44/59/559044459.db2.gz GFZVTHJHIOWSDT-UHFFFAOYSA-N 0 0 411.552 5.066 50 0 HKAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000033289206 559044589 /nfs/dbraw/zinc/04/45/89/559044589.db2.gz RFHAMVPJXJEEFJ-UHFFFAOYSA-N 0 0 417.490 5.252 50 0 HKAARN Cc1ccc(CNC(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)o1 ZINC000033289246 559046650 /nfs/dbraw/zinc/04/66/50/559046650.db2.gz BHMYAZDQBCKQPV-UHFFFAOYSA-N 0 0 417.490 5.252 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)c(C)c3)sc2c1 ZINC000033289287 568513598 /nfs/dbraw/zinc/51/35/98/568513598.db2.gz RWNPLLXEPYEYDX-UHFFFAOYSA-N 0 0 410.520 5.081 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4ccccc4)c(C)c3)sc2c1 ZINC000033289292 559046648 /nfs/dbraw/zinc/04/66/48/559046648.db2.gz BTNYFDVEVYWRAW-UHFFFAOYSA-N 0 0 424.547 5.222 50 0 HKAARN Cc1ccc(C)c(CS(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033289316 568513593 /nfs/dbraw/zinc/51/35/93/568513593.db2.gz VSIFQZWEJDZILJ-UHFFFAOYSA-N 0 0 408.548 5.522 50 0 HKAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4C)cc3)sc2c1 ZINC000033289332 559046607 /nfs/dbraw/zinc/04/66/07/559046607.db2.gz 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ZINC000033290071 559047028 /nfs/dbraw/zinc/04/70/28/559047028.db2.gz LUEDEVHYZDQABK-UHFFFAOYSA-N 0 0 406.598 5.523 50 0 HKAARN Cc1nc(-c2cc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c(C)s2)sc1C ZINC000033290072 559047038 /nfs/dbraw/zinc/04/70/38/559047038.db2.gz PZDQVTZJZYYAGS-UHFFFAOYSA-N 0 0 420.625 5.396 50 0 HKAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290075 559047091 /nfs/dbraw/zinc/04/70/91/559047091.db2.gz XNKQBJKLPRWXHW-UHFFFAOYSA-N 0 0 406.598 5.468 50 0 HKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)c(C)s2)sc1C ZINC000033290091 559047077 /nfs/dbraw/zinc/04/70/77/559047077.db2.gz LYOCMWQXHBBNIJ-UHFFFAOYSA-N 0 0 416.952 5.390 50 0 HKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)c(C)s2)sc1C ZINC000033290095 559047063 /nfs/dbraw/zinc/04/70/63/559047063.db2.gz ANGHOJVFUWZPBE-UHFFFAOYSA-N 0 0 416.952 5.390 50 0 HKAARN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290109 559047058 /nfs/dbraw/zinc/04/70/58/559047058.db2.gz PERLXPMJEBRDAK-UHFFFAOYSA-N 0 0 406.598 5.184 50 0 HKAARN Cc1nc(-c2cc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)c(C)s2)sc1C ZINC000033290110 559047043 /nfs/dbraw/zinc/04/70/43/559047043.db2.gz ILGBYKAJQJZXQU-UHFFFAOYSA-N 0 0 406.598 5.239 50 0 HKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000033290115 559047025 /nfs/dbraw/zinc/04/70/25/559047025.db2.gz IQOKCTJHUYSDBY-UHFFFAOYSA-N 0 0 414.524 5.382 50 0 HKAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290118 559047179 /nfs/dbraw/zinc/04/71/79/559047179.db2.gz OMPUXPKJDXWADO-UHFFFAOYSA-N 0 0 408.570 5.113 50 0 HKAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290124 568513645 /nfs/dbraw/zinc/51/36/45/568513645.db2.gz IIGPPWDERGSXIR-UHFFFAOYSA-N 0 0 406.598 5.667 50 0 HKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000033290131 559047146 /nfs/dbraw/zinc/04/71/46/559047146.db2.gz OGKMHPIUIWFVKR-UHFFFAOYSA-N 0 0 406.598 5.090 50 0 HKAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290133 559047190 /nfs/dbraw/zinc/04/71/90/559047190.db2.gz QGQKKAIHRVRLHA-UHFFFAOYSA-N 0 0 422.597 5.503 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290459 558765077 /nfs/dbraw/zinc/76/50/77/558765077.db2.gz PZVVNENIXVTVBM-GOSISDBHSA-N 0 0 414.509 5.355 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290460 132784667 /nfs/dbraw/zinc/78/46/67/132784667.db2.gz PZVVNENIXVTVBM-SFHVURJKSA-N 0 0 414.509 5.355 50 0 HKAARN COc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)cc1Cl ZINC000033291867 559045953 /nfs/dbraw/zinc/04/59/53/559045953.db2.gz IUAPIVFFVYXUFW-UHFFFAOYSA-N 0 0 424.913 5.018 50 0 HKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 ZINC000033292560 559048498 /nfs/dbraw/zinc/04/84/98/559048498.db2.gz XJWRZEPFCCACFV-UHFFFAOYSA-N 0 0 414.303 5.320 50 0 HKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1F ZINC000033292563 559048463 /nfs/dbraw/zinc/04/84/63/559048463.db2.gz BDZZNCPHDKRTKP-UHFFFAOYSA-N 0 0 418.266 5.150 50 0 HKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1 ZINC000033292591 559048488 /nfs/dbraw/zinc/04/84/88/559048488.db2.gz NLSNSEFDMCHAKT-UHFFFAOYSA-N 0 0 400.276 5.011 50 0 HKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1 ZINC000033292629 559048502 /nfs/dbraw/zinc/04/85/02/559048502.db2.gz JAVATXYEFNJDMY-UHFFFAOYSA-N 0 0 400.276 5.011 50 0 HKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1C ZINC000033292640 559048496 /nfs/dbraw/zinc/04/84/96/559048496.db2.gz NHHOAJYXGCFLOE-UHFFFAOYSA-N 0 0 414.303 5.320 50 0 HKAARN N=C1S/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1ccc(F)cc1 ZINC000033293663 559048560 /nfs/dbraw/zinc/04/85/60/559048560.db2.gz HJFKNYIXQSWOCM-YENWFTGLSA-N 0 0 416.836 5.934 50 0 HKAARN COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2c1 ZINC000033293689 559048538 /nfs/dbraw/zinc/04/85/38/559048538.db2.gz GYHVBIMSUBGHQY-CIAFOILYSA-N 0 0 423.465 5.233 50 0 HKAARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000033293712 559048581 /nfs/dbraw/zinc/04/85/81/559048581.db2.gz 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/nfs/dbraw/zinc/05/47/90/559054790.db2.gz KUMYKJGNTJGDPD-UHFFFAOYSA-N 0 0 402.317 5.078 50 0 HKAARN Cc1nc(NCc2ccccc2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000033312274 559054771 /nfs/dbraw/zinc/05/47/71/559054771.db2.gz ZKAAOJIDWYLJGR-UHFFFAOYSA-N 0 0 402.317 5.078 50 0 HKAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000033312537 526899256 /nfs/dbraw/zinc/89/92/56/526899256.db2.gz COBHUAZPJCHUFW-UHFFFAOYSA-N 0 0 420.460 5.179 50 0 HKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1Cl ZINC000033312551 526900007 /nfs/dbraw/zinc/90/00/07/526900007.db2.gz HTJTYJOREBCWBJ-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(C)ccc1Cl ZINC000033312556 526899871 /nfs/dbraw/zinc/89/98/71/526899871.db2.gz VWWABYKGCUOTMT-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(Cl)ccc1C ZINC000033312561 526900745 /nfs/dbraw/zinc/90/07/45/526900745.db2.gz CPQKNNHOCJHPJR-UHFFFAOYSA-N 0 0 400.935 5.204 50 0 HKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(Cl)c1C 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Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1C(C)C ZINC000033312620 526900940 /nfs/dbraw/zinc/90/09/40/526900940.db2.gz JSYDYNCVUALWIA-OAHLLOKOSA-N 0 0 408.571 5.612 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1C(C)C ZINC000033312621 526900773 /nfs/dbraw/zinc/90/07/73/526900773.db2.gz JSYDYNCVUALWIA-HNNXBMFYSA-N 0 0 408.571 5.612 50 0 HKAARN CSc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@@H](C)C3)c21 ZINC000033312638 526175646 /nfs/dbraw/zinc/17/56/46/526175646.db2.gz ZSSMAJHJBDXJHS-CYBMUJFWSA-N 0 0 412.584 5.210 50 0 HKAARN CSc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@H](C)C3)c21 ZINC000033312639 526174820 /nfs/dbraw/zinc/17/48/20/526174820.db2.gz ZSSMAJHJBDXJHS-ZDUSSCGKSA-N 0 0 412.584 5.210 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(C)cc1Cl ZINC000033312642 526900493 /nfs/dbraw/zinc/90/04/93/526900493.db2.gz SOEJWVNXGWEQQS-UHFFFAOYSA-N 0 0 414.962 5.594 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1cc(Cl)ccc1F ZINC000033312648 526900125 /nfs/dbraw/zinc/90/01/25/526900125.db2.gz 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Cc1nc(-c2cc3cc(C)ccc3nc2NCc2cccc(Br)c2)no1 ZINC000033331558 568514094 /nfs/dbraw/zinc/51/40/94/568514094.db2.gz WLRDICJKATXNQH-UHFFFAOYSA-N 0 0 409.287 5.276 50 0 HKAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@H](C)c3cccnc3)nc12 ZINC000033331563 568514054 /nfs/dbraw/zinc/51/40/54/568514054.db2.gz AESFQABZMCCFBA-QGZVFWFLSA-N 0 0 407.477 5.828 50 0 HKAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@@H](C)c3cccnc3)nc12 ZINC000033331564 559062302 /nfs/dbraw/zinc/06/23/02/559062302.db2.gz AESFQABZMCCFBA-KRWDZBQOSA-N 0 0 407.477 5.828 50 0 HKAARN COc1ccc([C@@H](C)Nc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC ZINC000033331567 559062274 /nfs/dbraw/zinc/06/22/74/559062274.db2.gz MFXYXMKIXQCXMP-CQSZACIVSA-N 0 0 404.470 5.092 50 0 HKAARN COc1ccc([C@H](C)Nc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC ZINC000033331568 559062279 /nfs/dbraw/zinc/06/22/79/559062279.db2.gz MFXYXMKIXQCXMP-AWEZNQCLSA-N 0 0 404.470 5.092 50 0 HKAARN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@H](C)c3ccccn3)nc2c1 ZINC000033331573 559062327 /nfs/dbraw/zinc/06/23/27/559062327.db2.gz MHFOWWWUDNETDK-QGZVFWFLSA-N 0 0 407.477 5.828 50 0 HKAARN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@@H](C)c3ccccn3)nc2c1 ZINC000033331574 559062310 /nfs/dbraw/zinc/06/23/10/559062310.db2.gz MHFOWWWUDNETDK-KRWDZBQOSA-N 0 0 407.477 5.828 50 0 HKAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@H](C)c3ccccn3)nc12 ZINC000033331579 559062280 /nfs/dbraw/zinc/06/22/80/559062280.db2.gz KDFFAOAEXSGQFL-QGZVFWFLSA-N 0 0 407.477 5.828 50 0 HKAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N[C@@H](C)c3ccccn3)nc12 ZINC000033331580 559062329 /nfs/dbraw/zinc/06/23/29/559062329.db2.gz KDFFAOAEXSGQFL-KRWDZBQOSA-N 0 0 407.477 5.828 50 0 HKAARN CCCc1nc(-c2cc3cccc(C)c3nc2NCc2cc(OC)cc(OC)c2)no1 ZINC000033331582 559062305 /nfs/dbraw/zinc/06/23/05/559062305.db2.gz ZCOSQGYVDFCNFE-UHFFFAOYSA-N 0 0 418.497 5.175 50 0 HKAARN COc1cc(CNc2nc3c(C)cccc3cc2-c2noc(C(C)C)n2)cc(OC)c1 ZINC000033331583 559062321 /nfs/dbraw/zinc/06/23/21/559062321.db2.gz YQGOWOCXVCEUTI-UHFFFAOYSA-N 0 0 418.497 5.346 50 0 HKAARN COc1cc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)cc(OC)c1 ZINC000033331584 559062268 /nfs/dbraw/zinc/06/22/68/559062268.db2.gz DOPUVIKBIYIZQB-UHFFFAOYSA-N 0 0 418.497 5.346 50 0 HKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccccc2Br)no1 ZINC000033331593 559062317 /nfs/dbraw/zinc/06/23/17/559062317.db2.gz QRNHGZBYAJWNIH-UHFFFAOYSA-N 0 0 409.287 5.276 50 0 HKAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(NCCc3ccccn3)nc12 ZINC000033331617 559062551 /nfs/dbraw/zinc/06/25/51/559062551.db2.gz ZLVSGJPCGVAMEM-UHFFFAOYSA-N 0 0 407.477 5.310 50 0 HKAARN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(NCCc3ccccn3)nc2c1 ZINC000033331620 559062469 /nfs/dbraw/zinc/06/24/69/559062469.db2.gz HRQQCUVVRHLOSA-UHFFFAOYSA-N 0 0 407.477 5.310 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000033332343 559063110 /nfs/dbraw/zinc/06/31/10/559063110.db2.gz ZIRFRQXTCURFJR-AQTBWJFISA-N 0 0 416.424 5.177 50 0 HKAARN O=C(/C=C\c1ccc(F)cc1)Nc1cccc(NC(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033332741 559063244 /nfs/dbraw/zinc/06/32/44/559063244.db2.gz PPRDWOOXBLYGSV-SFGFDRCGSA-N 0 0 404.416 5.269 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000033332808 559063235 /nfs/dbraw/zinc/06/32/35/559063235.db2.gz YCXJPFIFKWGWRE-ZCXUNETKSA-N 0 0 409.489 5.933 50 0 HKAARN O=C(/C=C\c1ccco1)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000033333383 568514071 /nfs/dbraw/zinc/51/40/71/568514071.db2.gz OKMMEKBCIFKYAU-NTMALXAHSA-N 0 0 401.249 5.491 50 0 HKAARN O=C(/C=C\c1ccco1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000033333467 559063281 /nfs/dbraw/zinc/06/32/81/559063281.db2.gz YYQHZAYMQQURAG-CLFYSBASSA-N 0 0 401.249 5.491 50 0 HKAARN CCOc1ccc(Br)c(/C=C2/C(=O)Nc3ccc(Br)cc32)c1 ZINC000033334345 559063474 /nfs/dbraw/zinc/06/34/74/559063474.db2.gz XNTMRKYKVLEFLO-RIYZIHGNSA-N 0 0 423.104 5.103 50 0 HKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)/C=C\c1ccco1 ZINC000033335849 559063605 /nfs/dbraw/zinc/06/36/05/559063605.db2.gz GXLSIDHPJSUSBB-KTKRTIGZSA-N 0 0 401.871 5.490 50 0 HKAARN COc1ccc(/C=C\C(=O)Nc2nc(-c3ccccc3)cs2)cc1Br ZINC000033335850 559063604 /nfs/dbraw/zinc/06/36/04/559063604.db2.gz CNPHVPJMIPBATJ-NTMALXAHSA-N 0 0 415.312 5.233 50 0 HKAARN O=C(C=Cc1ccc2c3c(cccc31)CC2)OCC(=O)c1ccc(Br)cc1 ZINC000033336087 559063686 /nfs/dbraw/zinc/06/36/86/559063686.db2.gz PPBOMHAFKFTLNV-RAXLEYEMSA-N 0 0 421.290 5.140 50 0 HKAARN Cc1ccc(NC(=O)/C(=C\c2cccc3ccccc23)NC(=O)c2ccccc2)cc1 ZINC000033336528 559063596 /nfs/dbraw/zinc/06/35/96/559063596.db2.gz MBWZSVORIGPVOI-XIEYBQDHSA-N 0 0 406.485 5.558 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)Nc2cccc(O)c2)cc1 ZINC000033336537 559063574 /nfs/dbraw/zinc/06/35/74/559063574.db2.gz OINAUXBABBIDQS-XYGWBWBKSA-N 0 0 422.484 5.263 50 0 HKAARN O=C(/C=C\c1ccco1)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000033342734 568514156 /nfs/dbraw/zinc/51/41/56/568514156.db2.gz AOIQTVSYFQHFGT-NTMALXAHSA-N 0 0 409.239 5.502 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000033342859 559064881 /nfs/dbraw/zinc/06/48/81/559064881.db2.gz TXEFFOCNAPOPNR-CLFYSBASSA-N 0 0 403.334 6.001 50 0 HKAARN O=C(/C=C\c1cccc(Cl)c1Cl)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000033342972 568514217 /nfs/dbraw/zinc/51/42/17/568514217.db2.gz HFZSFSSKUXVJQR-HJWRWDBZSA-N 0 0 423.752 6.346 50 0 HKAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000033345252 558767455 /nfs/dbraw/zinc/76/74/55/558767455.db2.gz WKYZONUJRJWSBM-CPNJWEJPSA-N 0 0 421.547 5.657 50 0 HKAARN O=C(/C=C\c1ccco1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000033347515 559065136 /nfs/dbraw/zinc/06/51/36/559065136.db2.gz SGFJIKYHCKXIPG-NTMALXAHSA-N 0 0 409.239 5.502 50 0 HKAARN N=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S1 ZINC000033347869 568514315 /nfs/dbraw/zinc/51/43/15/568514315.db2.gz KNNGEZKQDGOYHB-VGOFMYFVSA-N 0 0 413.713 5.364 50 0 HKAARN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000033348744 559065315 /nfs/dbraw/zinc/06/53/15/559065315.db2.gz DGJBGFJBEQTSBP-VGOFMYFVSA-N 0 0 412.667 5.483 50 0 HKAARN CCOc1ccccc1/C=C1\SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O ZINC000033348754 568514316 /nfs/dbraw/zinc/51/43/16/568514316.db2.gz JAOFFAWTTMHEAY-YVLHZVERSA-N 0 0 422.428 5.210 50 0 HKAARN O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000033348756 559065324 /nfs/dbraw/zinc/06/53/24/559065324.db2.gz YGPQHJNGRXLHOE-BJXWFGTRSA-N 0 0 404.413 5.368 50 0 HKAARN CCCOc1ccc(/C=C2/SC(=N)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000033349148 568514355 /nfs/dbraw/zinc/51/43/55/568514355.db2.gz ZDCJFNFTCGPGHD-FNLGWUMESA-N 0 0 402.903 5.193 50 0 HKAARN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000033349367 559066806 /nfs/dbraw/zinc/06/68/06/559066806.db2.gz IQCJMYKGUVBSBK-MKMNVTDBSA-N 0 0 414.697 5.896 50 0 HKAARN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000033349374 559066829 /nfs/dbraw/zinc/06/68/29/559066829.db2.gz HSNKBUFTZBSYRK-WOJGMQOQSA-N 0 0 416.285 6.494 50 0 HKAARN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000033349390 559066833 /nfs/dbraw/zinc/06/68/33/559066833.db2.gz NEAUYNIXHFABCQ-VGOFMYFVSA-N 0 0 414.697 5.896 50 0 HKAARN CCOc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2C(F)(F)F)C1=O ZINC000033349887 559066938 /nfs/dbraw/zinc/06/69/38/559066938.db2.gz VAAAVLGTHKAQJR-BOPFTXTBSA-N 0 0 422.428 5.210 50 0 HKAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000033362726 558767910 /nfs/dbraw/zinc/76/79/10/558767910.db2.gz XDWBUTUUYSHUFP-YVLHZVERSA-N 0 0 408.306 5.629 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000033362774 558767847 /nfs/dbraw/zinc/76/78/47/558767847.db2.gz UWPIPUBBMMZZGM-UHFFFAOYSA-N 0 0 421.884 5.974 50 0 HKAARN CCCCCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC ZINC000033377609 559118342 /nfs/dbraw/zinc/11/83/42/559118342.db2.gz YBVJVSALSNYMNL-DHDCSXOGSA-N 0 0 411.498 5.093 50 0 HKAARN Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000033386099 569047907 /nfs/dbraw/zinc/04/79/07/569047907.db2.gz FSFIOJLJSIBANJ-CYVLTUHYSA-N 0 0 413.517 5.802 50 0 HKAARN COc1ccccc1/C=C\C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2OC)C1 ZINC000033387273 559148307 /nfs/dbraw/zinc/14/83/07/559148307.db2.gz CNOWWDKLVCVQRY-LKAWRWRFSA-N 0 0 418.924 6.378 50 0 HKAARN COc1ccccc1/C=C\C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2OC)C1 ZINC000033387274 559148316 /nfs/dbraw/zinc/14/83/16/559148316.db2.gz CNOWWDKLVCVQRY-OVTQYCMBSA-N 0 0 418.924 6.378 50 0 HKAARN COc1ccccc1/C=C\C1=NN(c2cccc(F)c2)[C@@H](c2ccccc2OC)C1 ZINC000033387603 568514356 /nfs/dbraw/zinc/51/43/56/568514356.db2.gz GZEMMVNXFWHJMR-HVMBHNBBSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccccc1/C=C\C1=NN(c2cccc(F)c2)[C@H](c2ccccc2OC)C1 ZINC000033387604 559148301 /nfs/dbraw/zinc/14/83/01/559148301.db2.gz GZEMMVNXFWHJMR-SYKNXGGPSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccc(/C=C\C2=NN(c3cccc(F)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000033387625 559148303 /nfs/dbraw/zinc/14/83/03/559148303.db2.gz KOEQWEGRGOGTRD-CXVPKDJFSA-N 0 0 402.469 5.864 50 0 HKAARN COc1ccc(/C=C\C2=NN(c3cccc(F)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000033387626 559148310 /nfs/dbraw/zinc/14/83/10/559148310.db2.gz KOEQWEGRGOGTRD-KQHVZMJTSA-N 0 0 402.469 5.864 50 0 HKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033392691 559157710 /nfs/dbraw/zinc/15/77/10/559157710.db2.gz IXJMGDMRLSDLPE-LUAWRHEFSA-N 0 0 422.315 6.497 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccccc1 ZINC000033398608 559161066 /nfs/dbraw/zinc/16/10/66/559161066.db2.gz KBOCYOQINQKXNY-WQRHYEAKSA-N 0 0 416.285 6.494 50 0 HKAARN CCC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(C(C)C)cc3)c2C(N)=O)C1 ZINC000033400911 559163872 /nfs/dbraw/zinc/16/38/72/559163872.db2.gz HGJTVXZMGSFFTN-HOFZKYPUSA-N 0 0 410.583 5.527 50 0 HKAARN CCC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(C(C)C)cc3)c2C(N)=O)C1 ZINC000033400912 559163870 /nfs/dbraw/zinc/16/38/70/559163870.db2.gz HGJTVXZMGSFFTN-GQPJMJRUSA-N 0 0 410.583 5.527 50 0 HKAARN Cc1c(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c2ccccc2n1C ZINC000033400982 559163854 /nfs/dbraw/zinc/16/38/54/559163854.db2.gz CBUZKAZCNXKPJB-MSUUIHNZSA-N 0 0 405.501 5.665 50 0 HKAARN COc1ccc(-n2c(/C=C\c3cn(C)c4ccccc34)nc3ccccc3c2=O)cc1 ZINC000033400995 559163835 /nfs/dbraw/zinc/16/38/35/559163835.db2.gz RQMMATILPASSDV-WJDWOHSUSA-N 0 0 407.473 5.056 50 0 HKAARN COc1ccc(-n2c(/C=C\c3c(C)n(C)c4ccccc34)nc3ccccc3c2=O)cc1 ZINC000033400999 559163843 /nfs/dbraw/zinc/16/38/43/559163843.db2.gz VDDWAAYNJMOWSM-MSUUIHNZSA-N 0 0 421.500 5.365 50 0 HKAARN CCCN(/C=C1/c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O)CCC ZINC000033401770 535182844 /nfs/dbraw/zinc/18/28/44/535182844.db2.gz MLPKRCYQMJENJJ-SDXDJHTJSA-N 0 0 416.443 5.355 50 0 HKAARN CN1CCN([P@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000033402533 568697182 /nfs/dbraw/zinc/69/71/82/568697182.db2.gz DFHLWTZISUGNQT-ARHRGINZSA-N 0 0 421.308 5.987 50 0 HKAARN O=S(=O)(/C=C\c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000033402757 559163993 /nfs/dbraw/zinc/16/39/93/559163993.db2.gz CCPRLRGFKQTUSB-YZTMIZSPSA-N 0 0 412.514 5.544 50 0 HKAARN Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000033402956 559164000 /nfs/dbraw/zinc/16/40/00/559164000.db2.gz FPYYPTMNCFMNNV-YVLHZVERSA-N 0 0 417.328 5.172 50 0 HKAARN Cc1c(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2C)c2ccccc2n1C ZINC000033405920 559164101 /nfs/dbraw/zinc/16/41/01/559164101.db2.gz LQJAZUGLHOAARY-MSUUIHNZSA-N 0 0 405.501 5.665 50 0 HKAARN Cc1ccc2c(CC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)coc2c1 ZINC000033408981 558768477 /nfs/dbraw/zinc/76/84/77/558768477.db2.gz SJJWMMGLQWQEQX-UHFFFAOYSA-N 0 0 412.514 6.508 50 0 HKAARN O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000033415608 559167654 /nfs/dbraw/zinc/16/76/54/559167654.db2.gz YGPQHJNGRXLHOE-KUZVYUEUSA-N 0 0 404.413 5.368 50 0 HKAARN CCOc1ccc(NC(=O)Nc2nnc(/C=C\c3ccccc3Cl)s2)cc1 ZINC000033417808 568514479 /nfs/dbraw/zinc/51/44/79/568514479.db2.gz DEUDUPIYNUUFKP-GHXNOFRVSA-N 0 0 400.891 5.405 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cn1 ZINC000033423023 558768591 /nfs/dbraw/zinc/76/85/91/558768591.db2.gz SWCORTILYCGLAQ-UHFFFAOYSA-N 0 0 423.778 5.202 50 0 HKAARN O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000033424123 559190704 /nfs/dbraw/zinc/19/07/04/559190704.db2.gz GOHANGVPDXLGIL-SFQUDFHCSA-N 0 0 413.907 6.325 50 0 HKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 ZINC000033429008 559190852 /nfs/dbraw/zinc/19/08/52/559190852.db2.gz SMLTWUCDEBEXBR-IRLDBZIGSA-N 0 0 414.336 5.318 50 0 HKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 ZINC000033429009 559190811 /nfs/dbraw/zinc/19/08/11/559190811.db2.gz SMLTWUCDEBEXBR-IFMALSPDSA-N 0 0 414.336 5.318 50 0 HKAARN Fc1ccccc1/C=C\c1cc(/C=C\c2ccccc2F)nc(-c2ccccc2F)n1 ZINC000033430306 559192294 /nfs/dbraw/zinc/19/22/94/559192294.db2.gz JBKDPHVYHQTQPT-VMNXYWKNSA-N 0 0 414.430 6.902 50 0 HKAARN Fc1ccccc1/C=C/c1cc(/C=C\c2ccccc2F)nc(-c2ccccc2F)n1 ZINC000033430308 559192308 /nfs/dbraw/zinc/19/23/08/559192308.db2.gz JBKDPHVYHQTQPT-VCFJNTAESA-N 0 0 414.430 6.902 50 0 HKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000033430510 559192300 /nfs/dbraw/zinc/19/23/00/559192300.db2.gz YKLARBDIJPUFOT-RAXLEYEMSA-N 0 0 413.539 5.385 50 0 HKAARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)/C=C\c1ccco1 ZINC000033431203 559192319 /nfs/dbraw/zinc/19/23/19/559192319.db2.gz VYZRCKKXOWLNLA-SEYXRHQNSA-N 0 0 423.534 6.134 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000033433974 559191868 /nfs/dbraw/zinc/19/18/68/559191868.db2.gz ZONYZKLNGMMSCG-NQIIRXRSSA-N 0 0 412.002 6.246 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000033433976 568514688 /nfs/dbraw/zinc/51/46/88/568514688.db2.gz ZONYZKLNGMMSCG-RXVVDRJESA-N 0 0 412.002 6.246 50 0 HKAARN CC(C)(C)[C@@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccccc4)cs3)c21 ZINC000033435775 559192964 /nfs/dbraw/zinc/19/29/64/559192964.db2.gz RYQCENUTCNMOPW-OAHLLOKOSA-N 0 0 405.489 6.481 50 0 HKAARN CC(C)(C)[C@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccccc4)cs3)c21 ZINC000033435776 559192990 /nfs/dbraw/zinc/19/29/90/559192990.db2.gz RYQCENUTCNMOPW-HNNXBMFYSA-N 0 0 405.489 6.481 50 0 HKAARN CC(C)(C)[C@@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccc(F)cc4)cs3)c21 ZINC000033435779 559192978 /nfs/dbraw/zinc/19/29/78/559192978.db2.gz VPIRJWVBKMDPJB-OAHLLOKOSA-N 0 0 423.479 6.620 50 0 HKAARN CC(C)(C)[C@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccc(F)cc4)cs3)c21 ZINC000033435780 559192999 /nfs/dbraw/zinc/19/29/99/559192999.db2.gz VPIRJWVBKMDPJB-HNNXBMFYSA-N 0 0 423.479 6.620 50 0 HKAARN O=C(NC1CCCCC1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000033435890 568514691 /nfs/dbraw/zinc/51/46/91/568514691.db2.gz XITVDKIXXBQGIP-UHFFFAOYSA-N 0 0 402.523 5.212 50 0 HKAARN CC[C@@H]1CCc2nn(-c3nc(-c4ccc(Cl)cc4)cs3)c(C(F)(F)F)c2C1 ZINC000033436056 559192495 /nfs/dbraw/zinc/19/24/95/559192495.db2.gz WPBYNJVXPGCEOR-LLVKDONJSA-N 0 0 411.880 6.183 50 0 HKAARN CC[C@H]1CCc2nn(-c3nc(-c4ccc(Cl)cc4)cs3)c(C(F)(F)F)c2C1 ZINC000033436057 559192488 /nfs/dbraw/zinc/19/24/88/559192488.db2.gz WPBYNJVXPGCEOR-NSHDSACASA-N 0 0 411.880 6.183 50 0 HKAARN O=C1NC(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1ccccc1 ZINC000033447283 559193236 /nfs/dbraw/zinc/19/32/36/559193236.db2.gz VKAHCRZAVKTTEK-ATVHPVEESA-N 0 0 412.923 5.650 50 0 HKAARN Cc1ccccc1C1=N/C(=C\c2ccccc2OC(=O)c2ccc(Cl)cc2)C(=O)O1 ZINC000033456130 559194123 /nfs/dbraw/zinc/19/41/23/559194123.db2.gz OVWMXMPYCATCLO-ZHZULCJRSA-N 0 0 417.848 5.212 50 0 HKAARN Cc1cccc(/C=C(/c2nc(-c3ccccc3)cs2)c2nnc3n2CCCCC3)c1 ZINC000033458905 568514576 /nfs/dbraw/zinc/51/45/76/568514576.db2.gz KCBUMAQELGRFFP-LTGZKZEYSA-N 0 0 412.562 6.025 50 0 HKAARN CC(C)Oc1ccccc1/C=C1/CCn2c1nc1scc(-c3ccccc3)c1c2=O ZINC000033481509 568514921 /nfs/dbraw/zinc/51/49/21/568514921.db2.gz VMHRFIHNOZLLAL-RGEXLXHISA-N 0 0 414.530 5.857 50 0 HKAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 ZINC000033490629 559198946 /nfs/dbraw/zinc/19/89/46/559198946.db2.gz RROWJIDBOKEPEV-MHDFUNISSA-N 0 0 408.545 5.689 50 0 biogenic HKAARN O=c1nc(C(Cl)=Cc2ccc(Cl)cc2)[nH]c2scc(-c3cccs3)c21 ZINC000033499344 568515010 /nfs/dbraw/zinc/51/50/10/568515010.db2.gz BAVZIZKTKPZIQJ-MDWZMJQESA-N 0 0 405.331 6.516 50 0 HKAARN O=C1Oc2ccccc2/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000033499408 559199393 /nfs/dbraw/zinc/19/93/93/559199393.db2.gz PUKAWQBPCHRRAZ-STZFKDTASA-N 0 0 404.425 5.745 50 0 HKAARN C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000033506258 558769203 /nfs/dbraw/zinc/76/92/03/558769203.db2.gz JKJGWNLFPHYECD-JOCHJYFZSA-N 0 0 413.561 5.792 50 0 HKAARN C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000033506259 558769136 /nfs/dbraw/zinc/76/91/36/558769136.db2.gz JKJGWNLFPHYECD-QFIPXVFZSA-N 0 0 413.561 5.792 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C\c3c(Cl)nc4sccn34)C2=O)c1 ZINC000033530958 132227767 /nfs/dbraw/zinc/22/77/67/132227767.db2.gz ZZRQXLNFCMLYDX-SFQUDFHCSA-N 0 0 419.893 5.085 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C\c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000033541996 132790689 /nfs/dbraw/zinc/79/06/89/132790689.db2.gz UQHLCBUTAZKWOO-UDWIEESQSA-N 0 0 408.284 6.029 50 0 HKAARN Clc1ccc(/C=C2/CCCc3c2nc2ncnn2c3-c2ccc(Cl)cc2)cc1 ZINC000033551847 568515342 /nfs/dbraw/zinc/51/53/42/568515342.db2.gz ACRPALTVUCFQCJ-VBKFSLOCSA-N 0 0 407.304 5.975 50 0 HKAARN CCOc1ccc(C=C2CCC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000033556665 559209939 /nfs/dbraw/zinc/20/99/39/559209939.db2.gz VMLRGVGTNBVXIW-ZREYVJCOSA-N 0 0 420.578 5.738 50 0 HKAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(F)cc3)c2C(N)=O)C1 ZINC000033560541 568515441 /nfs/dbraw/zinc/51/54/41/568515441.db2.gz VNONTKBDSDVMQH-WASHYIJTSA-N 0 0 414.546 5.179 50 0 HKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(F)cc3)c2C(N)=O)C1 ZINC000033560542 559212610 /nfs/dbraw/zinc/21/26/10/559212610.db2.gz VNONTKBDSDVMQH-XCHKQJEOSA-N 0 0 414.546 5.179 50 0 HKAARN COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2)cc1 ZINC000033561550 559212644 /nfs/dbraw/zinc/21/26/44/559212644.db2.gz KGFWGQVAHNUXMQ-XNTDXEJSSA-N 0 0 402.881 6.041 50 0 HKAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000033562654 559212666 /nfs/dbraw/zinc/21/26/66/559212666.db2.gz ZMDJGPYTIGEFNX-RAXLEYEMSA-N 0 0 417.958 5.889 50 0 HKAARN FC(F)Oc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 ZINC000033578998 568515540 /nfs/dbraw/zinc/51/55/40/568515540.db2.gz QVKPEGJQGUTDMY-SSZFMOIBSA-N 0 0 419.456 6.363 50 0 HKAARN O=c1ccccc2c(/C=C\c3ccccc3Br)nn(-c3ccccc3)c21 ZINC000033582417 559215338 /nfs/dbraw/zinc/21/53/38/559215338.db2.gz YVNHNIPXXJDMIF-PFONDFGASA-N 0 0 403.279 5.319 50 0 HKAARN O=C1NC(=S)SC1=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000033595716 559217251 /nfs/dbraw/zinc/21/72/51/559217251.db2.gz ROHIPGIFRVDPOP-IUXPMGMMSA-N 0 0 419.358 6.326 50 0 HKAARN CC(C)c1ccc(/C=C\C(=O)NCCCNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033614087 568516618 /nfs/dbraw/zinc/51/66/18/568516618.db2.gz OBLDMTYLTLTTSH-APGQMXJTSA-N 0 0 418.581 5.283 50 0 HKAARN O=C1/C(=C/c2cnn(-c3ccccc3)c2)CCC/C1=C/c1cnn(-c2ccccc2)c1 ZINC000033618612 571316237 /nfs/dbraw/zinc/31/62/37/571316237.db2.gz IQYBOOMYTGLRJE-OQRYGUKSSA-N 0 0 406.489 5.278 50 0 HKAARN O=C1/C(=C/c2cnn(-c3ccccc3)c2)CCC/C1=C\c1cnn(-c2ccccc2)c1 ZINC000033618614 571316270 /nfs/dbraw/zinc/31/62/70/571316270.db2.gz IQYBOOMYTGLRJE-HOFJZWJUSA-N 0 0 406.489 5.278 50 0 HKAARN Fc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000033625160 559223090 /nfs/dbraw/zinc/22/30/90/559223090.db2.gz RBXLXPAHENRLEG-KXENESABSA-N 0 0 400.472 6.766 50 0 HKAARN Fc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000033625163 559223112 /nfs/dbraw/zinc/22/31/12/559223112.db2.gz RBXLXPAHENRLEG-XDTRZITMSA-N 0 0 400.472 6.766 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C\c3cccc(Cl)c3Cl)C2=O)c1 ZINC000033630976 569047928 /nfs/dbraw/zinc/04/79/28/569047928.db2.gz LCUMUCQSIMFNLN-CPNJWEJPSA-N 0 0 408.284 6.029 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCc3nc4ccccc4[nH]3)cc12 ZINC000033631740 559224304 /nfs/dbraw/zinc/22/43/04/559224304.db2.gz YKAHDWARRPILLU-UHFFFAOYSA-N 0 0 422.897 5.282 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C\c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000033646981 132227720 /nfs/dbraw/zinc/22/77/20/132227720.db2.gz NUFZTFYAHMYMLP-KGENOOAVSA-N 0 0 407.391 5.741 50 0 HKAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000033651352 559226103 /nfs/dbraw/zinc/22/61/03/559226103.db2.gz FFONRGKJZDLOED-FQEVSTJZSA-N 0 0 418.345 5.851 50 0 HKAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000033651353 559226096 /nfs/dbraw/zinc/22/60/96/559226096.db2.gz FFONRGKJZDLOED-HXUWFJFHSA-N 0 0 418.345 5.851 50 0 HKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000033672308 559227694 /nfs/dbraw/zinc/22/76/94/559227694.db2.gz TXVHYIWVRPPTPX-UHFFFAOYSA-N 0 0 420.537 6.806 50 0 HKAARN CCc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000033677455 559228007 /nfs/dbraw/zinc/22/80/07/559228007.db2.gz MHBLQDOYQDJLFP-DEOSSOPVSA-N 0 0 401.554 5.985 50 0 HKAARN CCc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000033677457 559227938 /nfs/dbraw/zinc/22/79/38/559227938.db2.gz MHBLQDOYQDJLFP-XMMPIXPASA-N 0 0 401.554 5.985 50 0 HKAARN CCCOC(=O)c1c(NC(=O)/C=C\c2c(F)cccc2Cl)sc2c1CCCC2 ZINC000033678787 568517087 /nfs/dbraw/zinc/51/70/87/568517087.db2.gz QAJTVFBAJYIDNA-KHPPLWFESA-N 0 0 421.921 5.638 50 0 HKAARN COc1ccc(/C=C/c2cc(C(F)(F)F)n(-c3nc4ccccc4s3)n2)cc1 ZINC000033679319 559228516 /nfs/dbraw/zinc/22/85/16/559228516.db2.gz MOQXXRXFOWEOSO-RMKNXTFCSA-N 0 0 401.413 5.680 50 0 HKAARN COc1cc(Nc2nc(SCc3ccncc3)nc3ccccc32)cc(OC)c1 ZINC000033680277 559228506 /nfs/dbraw/zinc/22/85/06/559228506.db2.gz KJXCRQMCYNYROO-UHFFFAOYSA-N 0 0 404.495 5.078 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccs2)cc1 ZINC000033681105 569012729 /nfs/dbraw/zinc/01/27/29/569012729.db2.gz IUMXMODYAXVCHJ-PXNSSMCTSA-N 0 0 419.308 6.436 50 0 HKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000033682993 559228556 /nfs/dbraw/zinc/22/85/56/559228556.db2.gz INOAOOOKCIMTSJ-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1OCc1ccccc1 ZINC000033688946 526849933 /nfs/dbraw/zinc/84/99/33/526849933.db2.gz FQBHBYKFSZFTCK-UHFFFAOYSA-N 0 0 419.868 5.530 50 0 HKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1 ZINC000033689939 527465546 /nfs/dbraw/zinc/46/55/46/527465546.db2.gz DONPAXMERJPZEA-UHFFFAOYSA-N 0 0 414.864 5.610 50 0 HKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NC1CC1 ZINC000033693016 559229318 /nfs/dbraw/zinc/22/93/18/559229318.db2.gz WVJLUFSJQQDZQH-DEOSSOPVSA-N 0 0 412.508 5.629 50 0 HKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NC1CC1 ZINC000033693017 559229276 /nfs/dbraw/zinc/22/92/76/559229276.db2.gz WVJLUFSJQQDZQH-XMMPIXPASA-N 0 0 412.508 5.629 50 0 HKAARN CCCNC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033694687 568517577 /nfs/dbraw/zinc/51/75/77/568517577.db2.gz PLCNPGSFCLJGGE-SANMLTNESA-N 0 0 424.588 6.355 50 0 HKAARN CCCNC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C)c1 ZINC000033694688 559230609 /nfs/dbraw/zinc/23/06/09/559230609.db2.gz PLCNPGSFCLJGGE-AREMUKBSSA-N 0 0 424.588 6.355 50 0 HKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)NC3CC3)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033704109 559230695 /nfs/dbraw/zinc/23/06/95/559230695.db2.gz XPICAYFLKHAILB-SANMLTNESA-N 0 0 422.572 6.107 50 0 HKAARN Cc1ccc(Cn2cc([C@H](CC(=O)NC3CC3)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033704111 559230705 /nfs/dbraw/zinc/23/07/05/559230705.db2.gz XPICAYFLKHAILB-AREMUKBSSA-N 0 0 422.572 6.107 50 0 HKAARN COc1ccccc1NCN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000033704565 559230690 /nfs/dbraw/zinc/23/06/90/559230690.db2.gz RVUVAZXPPVVACX-CXUHLZMHSA-N 0 0 409.294 5.108 50 0 HKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccccc1F ZINC000033718279 559235450 /nfs/dbraw/zinc/23/54/50/559235450.db2.gz IINGBVFAUJZLQW-UHFFFAOYSA-N 0 0 414.864 5.610 50 0 HKAARN COc1cccc(-n2c(/C=C\c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)c1 ZINC000033718855 568518322 /nfs/dbraw/zinc/51/83/22/568518322.db2.gz DQIXOXDZZVHYRG-BENRWUELSA-N 0 0 423.299 5.872 50 0 HKAARN Clc1ccccc1COc1cccc2ccc(/C=C\c3ccc4c(c3)OCO4)nc21 ZINC000033732196 559238954 /nfs/dbraw/zinc/23/89/54/559238954.db2.gz CFFFBRIGKSGORY-FLIBITNWSA-N 0 0 415.876 6.366 50 0 HKAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Cc1ccccc1 ZINC000033738267 559237695 /nfs/dbraw/zinc/23/76/95/559237695.db2.gz BOPKPOGTQLCVKV-UHFFFAOYSA-N 0 0 407.520 5.120 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OCc3ccccc3)n2)cc1 ZINC000033740094 559239519 /nfs/dbraw/zinc/23/95/19/559239519.db2.gz VLBXNSKMHXJJRP-UHFFFAOYSA-N 0 0 416.502 5.650 50 0 HKAARN CCOC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000033745269 559239599 /nfs/dbraw/zinc/23/95/99/559239599.db2.gz ROFVFXXEMMMMIK-NRFANRHFSA-N 0 0 417.461 5.018 50 0 HKAARN CCOC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000033745270 559239623 /nfs/dbraw/zinc/23/96/23/559239623.db2.gz ROFVFXXEMMMMIK-OAQYLSRUSA-N 0 0 417.461 5.018 50 0 HKAARN CC(C)n1c(/C=C(\OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000033752820 568520088 /nfs/dbraw/zinc/52/00/88/568520088.db2.gz MQAHWRNROLQWMU-HAHDFKILSA-N 0 0 418.443 6.251 50 0 HKAARN Cc1ccc(Cn2c(=O)c3ccccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000033759840 559242493 /nfs/dbraw/zinc/24/24/93/559242493.db2.gz PQUQYOQQXGVZLD-UHFFFAOYSA-N 0 0 424.928 5.838 50 0 HKAARN CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000033761033 559242526 /nfs/dbraw/zinc/24/25/26/559242526.db2.gz JILWZYHMIKWYNH-LCPACCEDSA-N 0 0 418.537 5.627 50 0 HKAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000033761573 559242488 /nfs/dbraw/zinc/24/24/88/559242488.db2.gz NERWVLQSLHLZCK-UHFFFAOYSA-N 0 0 401.418 5.063 50 0 HKAARN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl)c1ccccc1 ZINC000033761892 559242529 /nfs/dbraw/zinc/24/25/29/559242529.db2.gz IFJNLZXXDGDWDE-UHFFFAOYSA-N 0 0 421.305 5.047 50 0 HKAARN CCCCCCN1C=C/C(=C/C(C#N)=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000033763275 571316219 /nfs/dbraw/zinc/31/62/19/571316219.db2.gz NVSCRRDTCYQNKS-ZPHPHTNESA-N 0 0 408.501 5.883 50 0 HKAARN CSc1ccc(/C=C\c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1 ZINC000033780455 559245008 /nfs/dbraw/zinc/24/50/08/559245008.db2.gz YWHFWVYYKHMPEV-QPEQYQDCSA-N 0 0 417.961 7.360 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2ccc(Br)cc2)n1-c1ccccc1O ZINC000033788454 559245581 /nfs/dbraw/zinc/24/55/81/559245581.db2.gz MKLBYKIGMAMRLG-KAMYIIQDSA-N 0 0 419.278 5.024 50 0 HKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000033788625 559245624 /nfs/dbraw/zinc/24/56/24/559245624.db2.gz JOKGHAHHFBSJET-JOCHJYFZSA-N 0 0 409.480 5.701 50 0 HKAARN CC(C)(C)c1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000033788626 559245593 /nfs/dbraw/zinc/24/55/93/559245593.db2.gz JOKGHAHHFBSJET-QFIPXVFZSA-N 0 0 409.480 5.701 50 0 HKAARN O=C(C=Cc1ccc(Br)o1)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000033794797 568521925 /nfs/dbraw/zinc/52/19/25/568521925.db2.gz GNYOVCGWCNKLBJ-QBFSEMIESA-N 0 0 411.251 5.148 50 0 HKAARN COc1ccccc1CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033808192 558771465 /nfs/dbraw/zinc/77/14/65/558771465.db2.gz SAVMLVNQTIZGTE-UHFFFAOYSA-N 0 0 408.367 5.219 50 0 HKAARN COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000033808195 558771394 /nfs/dbraw/zinc/77/13/94/558771394.db2.gz HURBEKBJKMJVJM-UHFFFAOYSA-N 0 0 408.367 5.219 50 0 HKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000033808217 558771556 /nfs/dbraw/zinc/77/15/56/558771556.db2.gz YLPMTRHXNXAINZ-UHFFFAOYSA-N 0 0 423.969 6.013 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccc(F)cc3)c3cccc(C)c3)c[nH]c21 ZINC000033827546 559248675 /nfs/dbraw/zinc/24/86/75/559248675.db2.gz SMNYTPPJSPTEOO-DEOSSOPVSA-N 0 0 414.524 6.016 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccc(F)cc3)c3cccc(C)c3)c[nH]c21 ZINC000033827548 559248653 /nfs/dbraw/zinc/24/86/53/559248653.db2.gz SMNYTPPJSPTEOO-XMMPIXPASA-N 0 0 414.524 6.016 50 0 HKAARN Cc1ccc(Cn2cc([C@@H](CC(=O)NC(C)C)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033828836 559248624 /nfs/dbraw/zinc/24/86/24/559248624.db2.gz VGHZMQJRCGRFRQ-SANMLTNESA-N 0 0 424.588 6.353 50 0 HKAARN Cc1ccc(Cn2cc([C@H](CC(=O)NC(C)C)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033828838 559248607 /nfs/dbraw/zinc/24/86/07/559248607.db2.gz VGHZMQJRCGRFRQ-AREMUKBSSA-N 0 0 424.588 6.353 50 0 HKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000033831791 291289119 /nfs/dbraw/zinc/28/91/19/291289119.db2.gz KPUDOJPVQQJLGI-CKARLABJSA-N 0 0 424.713 8.521 50 0 biogenic,in-vitro HKAARN COc1ccc(/C=C\C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3OC)C2)cc1 ZINC000033871343 559275460 /nfs/dbraw/zinc/27/54/60/559275460.db2.gz BMPYYVMSGIDQLG-QOCFUJJPSA-N 0 0 418.924 6.378 50 0 HKAARN COc1ccc(/C=C\C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000033871344 559275445 /nfs/dbraw/zinc/27/54/45/559275445.db2.gz BMPYYVMSGIDQLG-TUHZNUCUSA-N 0 0 418.924 6.378 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000033879581 559287490 /nfs/dbraw/zinc/28/74/90/559287490.db2.gz ROJCFWNICRKMHJ-UHFFFAOYSA-N 0 0 408.383 5.205 50 0 HKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1 ZINC000033879974 559287545 /nfs/dbraw/zinc/28/75/45/559287545.db2.gz NWUXYINYFNHWIO-UHFFFAOYSA-N 0 0 424.353 5.581 50 0 HKAARN CCOc1ccc(/C=C\c2nn(-c3ccc(Cl)cc3)c3c2ccccc3=O)cc1 ZINC000033882096 559287531 /nfs/dbraw/zinc/28/75/31/559287531.db2.gz PVMJOCWERPFYHH-SXGWCWSVSA-N 0 0 402.881 5.608 50 0 HKAARN COc1ccc(/C=C/c2ccccc2-c2ccccc2/C=C\c2ccc(OC)cc2)cc1 ZINC000033887372 559287715 /nfs/dbraw/zinc/28/77/15/559287715.db2.gz CNSQRYYNSMPLGU-MJZABRMRSA-N 0 0 418.536 7.712 50 0 HKAARN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C\c1ccc(F)cc1 ZINC000033906069 559290981 /nfs/dbraw/zinc/29/09/81/559290981.db2.gz MYAQFXSTQXHLBF-BDJBOAAQSA-N 0 0 412.508 5.375 50 0 HKAARN CC(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000033907139 559290970 /nfs/dbraw/zinc/29/09/70/559290970.db2.gz RWAJDYXCGNKADC-NVMNQCDNSA-N 0 0 421.349 6.223 50 0 HKAARN CCCCCCc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000033907185 559290984 /nfs/dbraw/zinc/29/09/84/559290984.db2.gz JLXIQRKHMOMLFT-LYBHJNIJSA-N 0 0 416.521 5.812 50 0 HKAARN Fc1cccc(N2N=C(/C=C\c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000033907279 559290972 /nfs/dbraw/zinc/29/09/72/559290972.db2.gz GNPOFAYEOONMJJ-QFMGALCDSA-N 0 0 411.307 7.153 50 0 HKAARN Fc1cccc(N2N=C(/C=C\c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000033907280 559291042 /nfs/dbraw/zinc/29/10/42/559291042.db2.gz GNPOFAYEOONMJJ-JPCVNAGASA-N 0 0 411.307 7.153 50 0 HKAARN Brc1cccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000033907291 559290991 /nfs/dbraw/zinc/29/09/91/559290991.db2.gz ZVEUCCWAZXLQNG-SYKNXGGPSA-N 0 0 403.323 6.470 50 0 HKAARN Brc1cccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000033907292 559290969 /nfs/dbraw/zinc/29/09/69/559290969.db2.gz ZVEUCCWAZXLQNG-HVMBHNBBSA-N 0 0 403.323 6.470 50 0 HKAARN COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000033908114 559291170 /nfs/dbraw/zinc/29/11/70/559291170.db2.gz PCUPDGKDCHOTSW-KAMYIIQDSA-N 0 0 422.406 5.584 50 0 HKAARN COc1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000033908988 559291156 /nfs/dbraw/zinc/29/11/56/559291156.db2.gz VAJSZQTVJSGRKJ-PXNMLYILSA-N 0 0 409.294 5.108 50 0 HKAARN COc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000033909390 559291923 /nfs/dbraw/zinc/29/19/23/559291923.db2.gz IPDRVYUBQRQNQI-YPKPFQOOSA-N 0 0 422.406 5.584 50 0 HKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000033921288 560538832 /nfs/dbraw/zinc/53/88/32/560538832.db2.gz GCMBKRTUMDIFPT-DEDYPNTBSA-N 0 0 424.283 5.917 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000033923496 558772159 /nfs/dbraw/zinc/77/21/59/558772159.db2.gz AYKVYBMKMHNTPW-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000033923875 560539564 /nfs/dbraw/zinc/53/95/64/560539564.db2.gz ITULBBUZRBTQIP-MUUNZHRXSA-N 0 0 416.524 7.029 50 0 HKAARN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000033923877 560539516 /nfs/dbraw/zinc/53/95/16/560539516.db2.gz ITULBBUZRBTQIP-NDEPHWFRSA-N 0 0 416.524 7.029 50 0 HKAARN Cn1c2ccccc2c2cc(/C=C\[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 ZINC000033925973 560539871 /nfs/dbraw/zinc/53/98/71/560539871.db2.gz SLJVMWRNYMHJGP-SFLQITBISA-N 0 0 421.544 5.359 50 0 HKAARN Cn1ccnc1/C=C(/OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000033926829 568524555 /nfs/dbraw/zinc/52/45/55/568524555.db2.gz IVZBPGCHFUDYTO-PTGBLXJZSA-N 0 0 416.565 6.370 50 0 HKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C\c1ccco1 ZINC000033926840 560540089 /nfs/dbraw/zinc/54/00/89/560540089.db2.gz JPJPHRSQMHWGHC-LAUMOQQDSA-N 0 0 405.925 6.468 50 0 HKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C\c1ccco1 ZINC000033926841 560540073 /nfs/dbraw/zinc/54/00/73/560540073.db2.gz JPJPHRSQMHWGHC-IHXXNJTDSA-N 0 0 405.925 6.468 50 0 HKAARN O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926917 560540040 /nfs/dbraw/zinc/54/00/40/560540040.db2.gz CRLQJTSACHTAGF-KXSOJQAOSA-N 0 0 403.525 6.209 50 0 HKAARN CCCC1CCC(c2ccc(/C=C\c3ccc(C4CCC(CC)CC4)cn3)cc2)CC1 ZINC000033927029 560539853 /nfs/dbraw/zinc/53/98/53/560539853.db2.gz ZCIYSSLIULSEEB-NDENLUEZSA-N 0 0 415.665 9.010 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000033927505 560539886 /nfs/dbraw/zinc/53/98/86/560539886.db2.gz NWJKCANOTOGOCO-NTMALXAHSA-N 0 0 424.349 5.762 50 0 HKAARN O=c1c2ccccc2nc(/C=C\c2ccc(Br)cc2)n1-c1cccc(O)c1 ZINC000033929610 560544514 /nfs/dbraw/zinc/54/45/14/560544514.db2.gz YWGPZCKTCJGJNJ-RAXLEYEMSA-N 0 0 419.278 5.024 50 0 HKAARN CCOc1ccc(C=C2CCC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000033937537 560545105 /nfs/dbraw/zinc/54/51/05/560545105.db2.gz VMLRGVGTNBVXIW-DAWIYVSLSA-N 0 0 420.578 5.738 50 0 HKAARN CC(=O)Nc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000033953478 571316245 /nfs/dbraw/zinc/31/62/45/571316245.db2.gz OXSDDPZXDPLBKP-NNFYUIBOSA-N 0 0 402.494 5.069 50 0 HKAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1 ZINC000034035944 558772759 /nfs/dbraw/zinc/77/27/59/558772759.db2.gz IXJIGWUIXVMATA-UHFFFAOYSA-N 0 0 404.725 5.397 50 0 HKAARN C[C@@H]1CN(C)[C@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000034087010 568528998 /nfs/dbraw/zinc/52/89/98/568528998.db2.gz NATIKTRDTUWVJS-CHWSQXEVSA-N 0 0 407.495 5.512 50 0 HKAARN C[C@@H]1c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc2[C@@H](C)CN1C ZINC000034087011 568528984 /nfs/dbraw/zinc/52/89/84/568528984.db2.gz NATIKTRDTUWVJS-QWHCGFSZSA-N 0 0 407.495 5.512 50 0 HKAARN c1ccc(C2(c3ccccc3)O[C@@H](c3ccc4c(c3)OCO4)Nc3ccccc32)cc1 ZINC000034132217 560576381 /nfs/dbraw/zinc/57/63/81/560576381.db2.gz SHBXZOMMCRSSCG-SANMLTNESA-N 0 0 407.469 5.848 50 0 HKAARN c1ccc(C2(c3ccccc3)O[C@H](c3ccc4c(c3)OCO4)Nc3ccccc32)cc1 ZINC000034132219 560576378 /nfs/dbraw/zinc/57/63/78/560576378.db2.gz SHBXZOMMCRSSCG-AREMUKBSSA-N 0 0 407.469 5.848 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000034138823 558773237 /nfs/dbraw/zinc/77/32/37/558773237.db2.gz HLJZQDKEDAJTRD-QPPBQGQZSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000034138828 558773247 /nfs/dbraw/zinc/77/32/47/558773247.db2.gz JTEQEMVOLOOFEG-QPPBQGQZSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 ZINC000034138831 558773227 /nfs/dbraw/zinc/77/32/27/558773227.db2.gz RCNGNGKRWOOMEA-XXBNENTESA-N 0 0 422.575 6.111 50 0 HKAARN C(=C\[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1)\c1ccco1 ZINC000034145309 560583156 /nfs/dbraw/zinc/58/31/56/560583156.db2.gz VLIIFXXABAHUBI-CBUFDYBVSA-N 0 0 414.490 5.268 50 0 HKAARN C(=C\[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1)\c1ccco1 ZINC000034145310 560583181 /nfs/dbraw/zinc/58/31/81/560583181.db2.gz VLIIFXXABAHUBI-GHYICZDASA-N 0 0 414.490 5.268 50 0 HKAARN CCOC(=O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000034167842 559032193 /nfs/dbraw/zinc/03/21/93/559032193.db2.gz VWIZYQXKZWPEES-VHEBQXMUSA-N 0 0 408.501 5.300 50 0 HKAARN O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000034201368 560587566 /nfs/dbraw/zinc/58/75/66/560587566.db2.gz WADCGNOIAPGTMF-UHFFFAOYSA-N 0 0 420.361 5.494 50 0 HKAARN CC1(C)Cc2cc(NC(=O)N3C[C@H](c4ccccc4)C(c4ccccc4)=N3)ccc2O1 ZINC000034263775 560595897 /nfs/dbraw/zinc/59/58/97/560595897.db2.gz VMXCUJKLWJGGAV-JOCHJYFZSA-N 0 0 411.505 5.436 50 0 HKAARN CC1(C)Cc2cc(NC(=O)N3C[C@@H](c4ccccc4)C(c4ccccc4)=N3)ccc2O1 ZINC000034263776 560595933 /nfs/dbraw/zinc/59/59/33/560595933.db2.gz VMXCUJKLWJGGAV-QFIPXVFZSA-N 0 0 411.505 5.436 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000034263911 560595928 /nfs/dbraw/zinc/59/59/28/560595928.db2.gz NFZDYQCEUVKCDY-QHCPKHFHSA-N 0 0 415.924 5.864 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000034263912 560595867 /nfs/dbraw/zinc/59/58/67/560595867.db2.gz NFZDYQCEUVKCDY-HSZRJFAPSA-N 0 0 415.924 5.864 50 0 HKAARN CC(C)(C)OC(=O)[C@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034309850 560603197 /nfs/dbraw/zinc/60/31/97/560603197.db2.gz VVIZBZVUAOGUBQ-HSZRJFAPSA-N 0 0 419.590 5.381 50 0 HKAARN CC(C)(C)OC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034309852 569039314 /nfs/dbraw/zinc/03/93/14/569039314.db2.gz VVIZBZVUAOGUBQ-QHCPKHFHSA-N 0 0 419.590 5.381 50 0 HKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1N1CCCC1 ZINC000034380342 560619821 /nfs/dbraw/zinc/61/98/21/560619821.db2.gz QBTRIMSNRRGHNW-NTMALXAHSA-N 0 0 420.365 5.120 50 0 HKAARN COCO[C@@H]1[C@H]2CCC(=CCCC(C)(C)[C@@H]1OCOCc1ccccc1)C2(C)C ZINC000034495988 569012732 /nfs/dbraw/zinc/01/27/32/569012732.db2.gz ULISZHPHYMABTQ-ZZIPDSEYSA-N 0 0 402.575 5.718 50 0 HKAARN Cc1cccc(-c2nn3c(nnc3-c3cc(-c4ccccc4)nc4ccccc43)s2)c1 ZINC000034542551 560785653 /nfs/dbraw/zinc/78/56/53/560785653.db2.gz ILGLBVWARZPXEG-UHFFFAOYSA-N 0 0 419.513 6.043 50 0 HKAARN Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 ZINC000034550319 558781930 /nfs/dbraw/zinc/78/19/30/558781930.db2.gz OMMRSCXBBGEIGA-UHFFFAOYSA-N 0 0 417.144 6.990 50 0 HKAARN CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21 ZINC000034630490 571316373 /nfs/dbraw/zinc/31/63/73/571316373.db2.gz XPPBBJCBDOEXDN-UHFFFAOYSA-N 0 0 420.536 5.553 50 0 investigational HKAARN Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2Oc2ccccc21 ZINC000034661285 569357951 /nfs/dbraw/zinc/35/79/51/569357951.db2.gz MNBDZJINQUZDFP-UHFFFAOYSA-N 0 0 411.298 6.918 50 0 HKAARN Cc1ccc(N2CCN(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)cc1C ZINC000034668122 557361657 /nfs/dbraw/zinc/36/16/57/557361657.db2.gz ZHSFEMPKWNPFSS-UHFFFAOYSA-N 0 0 417.528 5.017 50 0 HKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)NCc3ccco3)cs2)s1 ZINC000034670233 557363108 /nfs/dbraw/zinc/36/31/08/557363108.db2.gz GZZOBYRWTMTADH-UHFFFAOYSA-N 0 0 417.600 5.084 50 0 HKAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)NC3CCCCC3)cs2)s1 ZINC000034670253 557363059 /nfs/dbraw/zinc/36/30/59/557363059.db2.gz QMYGRSYCABZYKG-UHFFFAOYSA-N 0 0 419.660 5.624 50 0 HKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2)c1CCC(=O)N(CC)CC ZINC000034672242 557363355 /nfs/dbraw/zinc/36/33/55/557363355.db2.gz BODAJYHFONJWAZ-UHFFFAOYSA-N 0 0 421.541 5.037 50 0 HKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2)c1CCC(=O)N(C)C(C)C ZINC000034672244 557363296 /nfs/dbraw/zinc/36/32/96/557363296.db2.gz LDSNWABFIRPTTP-UHFFFAOYSA-N 0 0 421.541 5.035 50 0 HKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1 ZINC000034672385 557363349 /nfs/dbraw/zinc/36/33/49/557363349.db2.gz ZHEXUDGYVDDMIG-UHFFFAOYSA-N 0 0 411.505 5.853 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1 ZINC000034672449 557363334 /nfs/dbraw/zinc/36/33/34/557363334.db2.gz SMORWUPYFAYBDI-UHFFFAOYSA-N 0 0 411.505 5.853 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)NCc1ccco1 ZINC000034672455 557363360 /nfs/dbraw/zinc/36/33/60/557363360.db2.gz MZFBYRQRZBTFMQ-UHFFFAOYSA-N 0 0 415.493 5.123 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1F ZINC000034672520 557363311 /nfs/dbraw/zinc/36/33/11/557363311.db2.gz NNDZNLJDXOFZAO-UHFFFAOYSA-N 0 0 415.468 5.683 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1cccc(F)c1 ZINC000034672522 557363351 /nfs/dbraw/zinc/36/33/51/557363351.db2.gz MISJMKSICORGGN-UHFFFAOYSA-N 0 0 415.468 5.683 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1cccc(C)c1 ZINC000034672525 557363318 /nfs/dbraw/zinc/36/33/18/557363318.db2.gz JZTLBWHIFRFLRV-UHFFFAOYSA-N 0 0 411.505 5.853 50 0 HKAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000034679692 557367741 /nfs/dbraw/zinc/36/77/41/557367741.db2.gz XRPCNUDXJQBJGK-UHFFFAOYSA-N 0 0 408.448 5.089 50 0 HKAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034679693 557367746 /nfs/dbraw/zinc/36/77/46/557367746.db2.gz PYCMHIGJBXSCBJ-IBGZPJMESA-N 0 0 418.512 5.189 50 0 HKAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034679694 557367799 /nfs/dbraw/zinc/36/77/99/557367799.db2.gz PYCMHIGJBXSCBJ-LJQANCHMSA-N 0 0 418.512 5.189 50 0 HKAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)cc1)Nc1ccc(F)cc1 ZINC000034679712 557367840 /nfs/dbraw/zinc/36/78/40/557367840.db2.gz YEOXAZKQYLSGIK-UHFFFAOYSA-N 0 0 420.459 5.089 50 0 HKAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034679742 557368093 /nfs/dbraw/zinc/36/80/93/557368093.db2.gz VIRMORFCTDPPKV-UHFFFAOYSA-N 0 0 406.570 5.033 50 0 HKAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034679763 557369250 /nfs/dbraw/zinc/36/92/50/557369250.db2.gz WQJALNGJXFEBPF-NRFANRHFSA-N 0 0 414.549 5.358 50 0 HKAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034679764 557369327 /nfs/dbraw/zinc/36/93/27/557369327.db2.gz WQJALNGJXFEBPF-OAQYLSRUSA-N 0 0 414.549 5.358 50 0 HKAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000034679769 557369338 /nfs/dbraw/zinc/36/93/38/557369338.db2.gz DGNDFAXUBKHXHT-UHFFFAOYSA-N 0 0 414.549 5.157 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000034679791 557360171 /nfs/dbraw/zinc/36/01/71/557360171.db2.gz KFZMMAYKAUKOOU-UHFFFAOYSA-N 0 0 418.512 5.050 50 0 HKAARN CC(C)CC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000034679806 557360153 /nfs/dbraw/zinc/36/01/53/557360153.db2.gz XMNWXMVKHBIRQA-UHFFFAOYSA-N 0 0 418.512 5.586 50 0 HKAARN CC(C)CC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2cccc(F)c2)cc1 ZINC000034679809 557360115 /nfs/dbraw/zinc/36/01/15/557360115.db2.gz DMMPGBAARHJVBT-UHFFFAOYSA-N 0 0 418.512 5.586 50 0 HKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000034679831 557360176 /nfs/dbraw/zinc/36/01/76/557360176.db2.gz GKGIEXNJAPQTCZ-UHFFFAOYSA-N 0 0 414.549 5.157 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000034679863 557360300 /nfs/dbraw/zinc/36/03/00/557360300.db2.gz KAXRJLCFSROWTM-OBGWFSINSA-N 0 0 412.533 5.002 50 0 HKAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)NCC2CC2)cc1 ZINC000034679864 557360389 /nfs/dbraw/zinc/36/03/89/557360389.db2.gz TWNFCVDKJDROAO-OBGWFSINSA-N 0 0 424.544 5.002 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000034679870 557360358 /nfs/dbraw/zinc/36/03/58/557360358.db2.gz TWNGSDHLOALEFE-UHFFFAOYSA-N 0 0 420.940 5.256 50 0 HKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034679892 557360696 /nfs/dbraw/zinc/36/06/96/557360696.db2.gz OSRRFVQYLMUCEJ-UHFFFAOYSA-N 0 0 414.549 5.157 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(C)cc2)cc1 ZINC000034679968 557365258 /nfs/dbraw/zinc/36/52/58/557365258.db2.gz QVXFTWDKYXHNGW-UHFFFAOYSA-N 0 0 418.512 5.050 50 0 HKAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)Nc1ccc(F)cc1 ZINC000034679974 557381348 /nfs/dbraw/zinc/38/13/48/557381348.db2.gz OHEALHIKMXPUFR-UHFFFAOYSA-N 0 0 420.459 5.089 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2C)cc1 ZINC000034680028 557381334 /nfs/dbraw/zinc/38/13/34/557381334.db2.gz CQCWDEJRPMGROT-UHFFFAOYSA-N 0 0 418.512 5.050 50 0 HKAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034680040 557381363 /nfs/dbraw/zinc/38/13/63/557381363.db2.gz RCYRYLKPKBKIMX-UHFFFAOYSA-N 0 0 420.578 5.218 50 0 HKAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680067 557381282 /nfs/dbraw/zinc/38/12/82/557381282.db2.gz OIJXRIDGPATONF-UHFFFAOYSA-N 0 0 420.578 5.218 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000034680078 557381653 /nfs/dbraw/zinc/38/16/53/557381653.db2.gz HCEXDAAWAKDSNL-UHFFFAOYSA-N 0 0 404.485 5.259 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034680079 557381703 /nfs/dbraw/zinc/38/17/03/557381703.db2.gz QPHFZPMLJMKJTH-NRFANRHFSA-N 0 0 414.549 5.358 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034680080 557381571 /nfs/dbraw/zinc/38/15/71/557381571.db2.gz QPHFZPMLJMKJTH-OAQYLSRUSA-N 0 0 414.549 5.358 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034680084 557381560 /nfs/dbraw/zinc/38/15/60/557381560.db2.gz WQIKGIIABQAKBO-UHFFFAOYSA-N 0 0 414.549 5.139 50 0 HKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680087 557381575 /nfs/dbraw/zinc/38/15/75/557381575.db2.gz PEYDFKWDKOFGNI-UHFFFAOYSA-N 0 0 414.549 5.157 50 0 HKAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2ccc(C)cc2)cc1 ZINC000034680100 557381637 /nfs/dbraw/zinc/38/16/37/557381637.db2.gz KHYODYLHTVIMPD-UHFFFAOYSA-N 0 0 414.549 5.219 50 0 HKAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680115 557381580 /nfs/dbraw/zinc/38/15/80/557381580.db2.gz BRTZXSFKEPEXQT-UHFFFAOYSA-N 0 0 406.570 5.033 50 0 HKAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1[C@@H](C)c1ccccc1 ZINC000034680205 557381613 /nfs/dbraw/zinc/38/16/13/557381613.db2.gz SKNPLWDMQAOBQV-KRWDZBQOSA-N 0 0 404.535 5.293 50 0 HKAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1[C@H](C)c1ccccc1 ZINC000034680206 557381659 /nfs/dbraw/zinc/38/16/59/557381659.db2.gz SKNPLWDMQAOBQV-QGZVFWFLSA-N 0 0 404.535 5.293 50 0 HKAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2[C@@H](C)c2ccccc2)CC1 ZINC000034680285 557381919 /nfs/dbraw/zinc/38/19/19/557381919.db2.gz RYCJCXZASUIWNM-KRWDZBQOSA-N 0 0 424.566 5.036 50 0 HKAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2[C@H](C)c2ccccc2)CC1 ZINC000034680286 557381828 /nfs/dbraw/zinc/38/18/28/557381828.db2.gz RYCJCXZASUIWNM-QGZVFWFLSA-N 0 0 424.566 5.036 50 0 HKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2[C@@H](C)c2ccccc2)C1 ZINC000034680287 557381798 /nfs/dbraw/zinc/38/17/98/557381798.db2.gz CZBZKALGQIGPQW-PKOBYXMFSA-N 0 0 424.566 5.036 50 0 HKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2[C@@H](C)c2ccccc2)C1 ZINC000034680288 557381910 /nfs/dbraw/zinc/38/19/10/557381910.db2.gz CZBZKALGQIGPQW-HKUYNNGSSA-N 0 0 424.566 5.036 50 0 HKAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2[C@H](C)c2ccccc2)C1 ZINC000034680289 557381866 /nfs/dbraw/zinc/38/18/66/557381866.db2.gz CZBZKALGQIGPQW-IEBWSBKVSA-N 0 0 424.566 5.036 50 0 HKAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2[C@H](C)c2ccccc2)C1 ZINC000034680290 557381926 /nfs/dbraw/zinc/38/19/26/557381926.db2.gz CZBZKALGQIGPQW-MJGOQNOKSA-N 0 0 424.566 5.036 50 0 HKAARN COc1ccccc1CCNC(=O)c1cc2sc(C)cc2n1CCc1ccccc1 ZINC000034680304 557381894 /nfs/dbraw/zinc/38/18/94/557381894.db2.gz UUEALJQOKQFNIY-UHFFFAOYSA-N 0 0 418.562 5.235 50 0 HKAARN COc1ccc(C(=O)COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1 ZINC000034680356 557381847 /nfs/dbraw/zinc/38/18/47/557381847.db2.gz SKMHCMFXBFJWJI-UHFFFAOYSA-N 0 0 420.852 5.327 50 0 HKAARN COc1cccc(C(=O)COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)c1 ZINC000034680357 557381903 /nfs/dbraw/zinc/38/19/03/557381903.db2.gz LXDAORPNUBVECN-UHFFFAOYSA-N 0 0 420.852 5.327 50 0 HKAARN COc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1OCC(=O)c1ccc(C)cc1 ZINC000034680385 557381842 /nfs/dbraw/zinc/38/18/42/557381842.db2.gz FXMCJQRDOYCSBC-UHFFFAOYSA-N 0 0 418.424 5.121 50 0 HKAARN COc1ccccc1COc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1OC ZINC000034680389 557381889 /nfs/dbraw/zinc/38/18/89/557381889.db2.gz KEZIYWIKPFTRIB-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4OC)c(OC)c3)no2)cc1 ZINC000034680402 557381852 /nfs/dbraw/zinc/38/18/52/557381852.db2.gz VVFZJKHXHFFEOV-UHFFFAOYSA-N 0 0 418.449 5.008 50 0 HKAARN COc1cc(-c2noc(-c3ccccc3F)n2)ccc1OCc1ccc(C)c(C)c1 ZINC000034680417 557382135 /nfs/dbraw/zinc/38/21/35/557382135.db2.gz ODKYVHHKOGXRAK-UHFFFAOYSA-N 0 0 404.441 5.747 50 0 HKAARN COc1ccccc1COc1ccc(-c2noc(-c3ccccc3F)n2)cc1OC ZINC000034680419 557382154 /nfs/dbraw/zinc/38/21/54/557382154.db2.gz MQDQJLKWCJVRTA-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1cc(-c2noc(-c3cccc(C)c3)n2)ccc1OCC(=O)c1ccc(F)cc1 ZINC000034680454 557382221 /nfs/dbraw/zinc/38/22/21/557382221.db2.gz IDSYTNJUWXXGJH-UHFFFAOYSA-N 0 0 418.424 5.121 50 0 HKAARN COc1cccc(C(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000034680477 557382145 /nfs/dbraw/zinc/38/21/45/557382145.db2.gz QBMPZJMHUZZSND-UHFFFAOYSA-N 0 0 420.852 5.327 50 0 HKAARN CC(C)CC(=O)N(c1ccccc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682515 557384188 /nfs/dbraw/zinc/38/41/88/557384188.db2.gz YXQGPACJEFYMCP-UHFFFAOYSA-N 0 0 418.503 5.749 50 0 HKAARN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682618 557384295 /nfs/dbraw/zinc/38/42/95/557384295.db2.gz WCXRBSHIPIQBRQ-UHFFFAOYSA-N 0 0 408.439 5.252 50 0 HKAARN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682756 557384870 /nfs/dbraw/zinc/38/48/70/557384870.db2.gz FQATWFMZVWKBTA-UHFFFAOYSA-N 0 0 422.466 5.642 50 0 HKAARN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682930 557384989 /nfs/dbraw/zinc/38/49/89/557384989.db2.gz GGZLBAQUZUGADU-UHFFFAOYSA-N 0 0 404.476 5.421 50 0 HKAARN CC(C)CC(=O)N(c1ccccc1)C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000034683482 557386496 /nfs/dbraw/zinc/38/64/96/557386496.db2.gz SZLXPPWQGNPIGT-UHFFFAOYSA-N 0 0 402.941 5.523 50 0 HKAARN COc1cccc(Nc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)cs2)c1 ZINC000034688041 557371087 /nfs/dbraw/zinc/37/10/87/557371087.db2.gz YXHSDVPCKRCXIN-UHFFFAOYSA-N 0 0 419.481 5.954 50 0 HKAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000034689070 568733950 /nfs/dbraw/zinc/73/39/50/568733950.db2.gz XUFNQCIUHBUCLE-UHFFFAOYSA-N 0 0 419.531 5.292 50 0 HKAARN CN(Cc1ccccc1)c1nc2cc(Cl)ccc2c2nnc(Cc3ccccc3)n21 ZINC000034699471 557397927 /nfs/dbraw/zinc/39/79/27/557397927.db2.gz ZNVQKMLVIKMCQM-UHFFFAOYSA-N 0 0 413.912 5.158 50 0 HKAARN CC1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4Cl)n32)CC1 ZINC000034699499 132796009 /nfs/dbraw/zinc/79/60/09/132796009.db2.gz DYCZPVPBVQBJHQ-UHFFFAOYSA-N 0 0 412.324 5.488 50 0 HKAARN Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCc4ccccc4C3)nc2c1 ZINC000034699519 557398290 /nfs/dbraw/zinc/39/82/90/557398290.db2.gz ZKXQKMOFITTXCD-UHFFFAOYSA-N 0 0 417.925 5.222 50 0 HKAARN CC(C)c1nnc2c3ccc(Cl)cc3nc(N3CCC(Cc4ccccc4)CC3)n21 ZINC000034699530 535010401 /nfs/dbraw/zinc/01/04/01/535010401.db2.gz MRYVYMLMBQCXOH-UHFFFAOYSA-N 0 0 419.960 5.513 50 0 HKAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N(C)Cc4ccccc4)n23)c1 ZINC000034699568 557398232 /nfs/dbraw/zinc/39/82/32/557398232.db2.gz HLZALSYTHJRBSJ-UHFFFAOYSA-N 0 0 413.912 5.543 50 0 HKAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N(C)Cc4ccco4)n23)c1 ZINC000034699569 557398242 /nfs/dbraw/zinc/39/82/42/557398242.db2.gz QRBXGMNDVGEYFF-UHFFFAOYSA-N 0 0 403.873 5.136 50 0 HKAARN Fc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(NCc3ccccc3)n12 ZINC000034699577 557398181 /nfs/dbraw/zinc/39/81/81/557398181.db2.gz LGMVYBSBBXDIMJ-UHFFFAOYSA-N 0 0 403.848 5.349 50 0 HKAARN Cc1ccc2nc(N3CCc4ccccc4C3)n3c(-c4ccccc4C)nnc3c2c1 ZINC000034699731 132796267 /nfs/dbraw/zinc/79/62/67/132796267.db2.gz 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O=C(Nc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(Cl)cc2)C1 ZINC000034708925 557389702 /nfs/dbraw/zinc/38/97/02/557389702.db2.gz HABPRJGOIDISDA-LEWJYISDSA-N 0 0 418.924 5.225 50 0 HKAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034711652 557391082 /nfs/dbraw/zinc/39/10/82/557391082.db2.gz YJNJOONIQRTWDM-UHFFFAOYSA-N 0 0 406.429 5.158 50 0 HKAARN CCCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034711654 557391154 /nfs/dbraw/zinc/39/11/54/557391154.db2.gz HCTRFBXGMWSKPQ-UHFFFAOYSA-N 0 0 420.456 5.548 50 0 HKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000034711662 557391177 /nfs/dbraw/zinc/39/11/77/557391177.db2.gz FMJIXNIYANPIKF-UHFFFAOYSA-N 0 0 404.466 5.781 50 0 HKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711701 557391209 /nfs/dbraw/zinc/39/12/09/557391209.db2.gz OIUMPDADDLWCAH-UHFFFAOYSA-N 0 0 404.466 5.781 50 0 HKAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711704 557391219 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O=C(Nc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711732 557391102 /nfs/dbraw/zinc/39/11/02/557391102.db2.gz PQWCLYIHLIPUTJ-UHFFFAOYSA-N 0 0 404.466 5.781 50 0 HKAARN COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000034711733 568818906 /nfs/dbraw/zinc/81/89/06/568818906.db2.gz QNBDDNGIWQZRQW-UHFFFAOYSA-N 0 0 416.502 5.650 50 0 HKAARN Cc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000034711735 568818904 /nfs/dbraw/zinc/81/89/04/568818904.db2.gz LBMQWTPDJJGOIU-UHFFFAOYSA-N 0 0 400.503 5.950 50 0 HKAARN Cc1cccc(NC(=O)c2csc(-c3ccc(OCc4ccccc4)cc3)n2)c1 ZINC000034711737 568818953 /nfs/dbraw/zinc/81/89/53/568818953.db2.gz DMWIJYRGAIVCDD-UHFFFAOYSA-N 0 0 400.503 5.950 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711738 568818918 /nfs/dbraw/zinc/81/89/18/568818918.db2.gz RGUKIKCFRYGGFK-UHFFFAOYSA-N 0 0 418.493 5.458 50 0 HKAARN O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711745 557391142 /nfs/dbraw/zinc/39/11/42/557391142.db2.gz 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/nfs/dbraw/zinc/39/14/44/557391444.db2.gz CFTPGYWDHJLKHJ-UHFFFAOYSA-N 0 0 422.456 5.920 50 0 HKAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711909 557391442 /nfs/dbraw/zinc/39/14/42/557391442.db2.gz BECSZUWSASTFAP-UHFFFAOYSA-N 0 0 402.466 5.053 50 0 HKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711930 557391437 /nfs/dbraw/zinc/39/14/37/557391437.db2.gz DSPQULDQOMXOLX-UHFFFAOYSA-N 0 0 402.466 5.149 50 0 HKAARN O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711934 557391428 /nfs/dbraw/zinc/39/14/28/557391428.db2.gz PTXRBOJQYMKZKW-UHFFFAOYSA-N 0 0 422.456 5.920 50 0 HKAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711949 557391418 /nfs/dbraw/zinc/39/14/18/557391418.db2.gz JOZQKIFZVJVMQF-UHFFFAOYSA-N 0 0 402.466 5.149 50 0 HKAARN CC(C)NC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034711974 557391743 /nfs/dbraw/zinc/39/17/43/557391743.db2.gz KCESECSQMDBKFW-UHFFFAOYSA-N 0 0 420.456 5.546 50 0 HKAARN 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/nfs/dbraw/zinc/44/67/06/557446706.db2.gz SENQAYFFVFKXNX-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)c4ccco4)cc3)C2=O)c(C)c1 ZINC000034736793 557446981 /nfs/dbraw/zinc/44/69/81/557446981.db2.gz YLHBPEFKWUMYFY-UHFFFAOYSA-N 0 0 417.509 5.289 50 0 HKAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)C4CCC4)cc3)C2=O)c(C)c1 ZINC000034736797 557446994 /nfs/dbraw/zinc/44/69/94/557446994.db2.gz SCTVJIZDQQHVPK-UHFFFAOYSA-N 0 0 405.542 5.183 50 0 HKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)c4cccs4)c3)C2=O)c1 ZINC000034736838 557447070 /nfs/dbraw/zinc/44/70/70/557447070.db2.gz GBNTWWILPPUDHK-UHFFFAOYSA-N 0 0 419.550 5.450 50 0 HKAARN Cc1ccc(C)c(CN2CCCN(c3cccc(NC(=O)CC(C)(C)C)c3)C2=O)c1 ZINC000034736847 557446929 /nfs/dbraw/zinc/44/69/29/557446929.db2.gz QZEFTKCMFMHPTI-UHFFFAOYSA-N 0 0 407.558 5.510 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc(C)c1-c1ccc(OC)cc1 ZINC000034736908 557447266 /nfs/dbraw/zinc/44/72/66/557447266.db2.gz LHXWHYJQCJYBKW-GDNBJRDFSA-N 0 0 421.518 5.561 50 0 HKAARN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)c2ccco2)c1 ZINC000034736915 557447246 /nfs/dbraw/zinc/44/72/46/557447246.db2.gz LTXAUPQJLRRTPC-UHFFFAOYSA-N 0 0 423.900 5.326 50 0 HKAARN Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3NC(=O)CC(C)(C)C)C2=O)c1 ZINC000034736957 557447523 /nfs/dbraw/zinc/44/75/23/557447523.db2.gz JRQLKRJSDKBAPS-UHFFFAOYSA-N 0 0 421.585 5.819 50 0 HKAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)c2ccco2)c1 ZINC000034736984 557447510 /nfs/dbraw/zinc/44/75/10/557447510.db2.gz QPEOKXMOBPIKKC-UHFFFAOYSA-N 0 0 417.509 5.289 50 0 HKAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034736999 132797911 /nfs/dbraw/zinc/79/79/11/132797911.db2.gz YEIVWPIPIWHVKZ-UHFFFAOYSA-N 0 0 421.585 5.819 50 0 HKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000034737252 557447423 /nfs/dbraw/zinc/44/74/23/557447423.db2.gz UMQFBJFIMGJBBM-TWGQIWQCSA-N 0 0 424.287 6.157 50 0 HKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)Nc2ccccc2)c1 ZINC000034737286 557447503 /nfs/dbraw/zinc/44/75/03/557447503.db2.gz HHDLTEKTFQAXTR-UHFFFAOYSA-N 0 0 414.509 5.471 50 0 HKAARN CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000034737436 557447742 /nfs/dbraw/zinc/44/77/42/557447742.db2.gz QNNQQZJNQYIJSJ-UHFFFAOYSA-N 0 0 408.546 5.092 50 0 HKAARN CC(C)(C)CC(=O)Nc1cc(N2CCCN(Cc3ccccc3)C2=O)ccc1Cl ZINC000034739641 557451378 /nfs/dbraw/zinc/45/13/78/557451378.db2.gz BBUITLKSZITHDY-UHFFFAOYSA-N 0 0 413.949 5.547 50 0 HKAARN O=C(Nc1cc(N2CCCN(Cc3cccc(Cl)c3)C2=O)ccc1Cl)C1CC1 ZINC000034739653 557451276 /nfs/dbraw/zinc/45/12/76/557451276.db2.gz HDNQGIGNDJNWFI-UHFFFAOYSA-N 0 0 418.324 5.174 50 0 HKAARN COc1ccc(NC(=O)CC(C)(C)C)cc1N1CCCN(Cc2cccc(C)c2)C1=O ZINC000034739781 132798053 /nfs/dbraw/zinc/79/80/53/132798053.db2.gz KTUVCUGDEGTRTH-UHFFFAOYSA-N 0 0 423.557 5.211 50 0 HKAARN COc1ccccc1C=C(C(=O)OCC(=O)c1c(C)cc(C)cc1C)c1ccccc1 ZINC000034744724 557455196 /nfs/dbraw/zinc/45/51/96/557455196.db2.gz HOOAZAMZMIMNEN-KQWNVCNZSA-N 0 0 414.501 5.587 50 0 HKAARN Cc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755671 557458365 /nfs/dbraw/zinc/45/83/65/557458365.db2.gz NTETYRUHURVCGY-UHFFFAOYSA-N 0 0 414.553 5.126 50 0 HKAARN Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(Cc1cccs1)CC2 ZINC000034755706 557458342 /nfs/dbraw/zinc/45/83/42/557458342.db2.gz COPWEHUGCIBSQV-UHFFFAOYSA-N 0 0 424.545 5.018 50 0 HKAARN Fc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(Cc1ccsc1)CC2 ZINC000034756001 557458431 /nfs/dbraw/zinc/45/84/31/557458431.db2.gz LTFZRRLVLUXOBS-UHFFFAOYSA-N 0 0 424.545 5.018 50 0 HKAARN Fc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccsc2)CC3)c1 ZINC000034756030 557458389 /nfs/dbraw/zinc/45/83/89/557458389.db2.gz YHKNJBMLIRGPIX-UHFFFAOYSA-N 0 0 424.545 5.018 50 0 HKAARN O=C1/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1Cl ZINC000034766228 569041695 /nfs/dbraw/zinc/04/16/95/569041695.db2.gz LGYDPRKACXQVRG-XDZCSQBPSA-N 0 0 402.884 5.210 50 0 HKAARN CC(C)c1ccc(N2CC(=O)C(c3nc(-c4cccc(Cl)c4)cs3)=C2N)cc1 ZINC000034769915 571316525 /nfs/dbraw/zinc/31/65/25/571316525.db2.gz PDRVBUAMNAPTEC-UHFFFAOYSA-N 0 0 409.942 5.304 50 0 HKAARN CCOc1cc(CO)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000034772877 558783829 /nfs/dbraw/zinc/78/38/29/558783829.db2.gz OZSIPIDWPYJKPZ-UHFFFAOYSA-N 0 0 406.103 5.226 50 0 HKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000034781619 557453303 /nfs/dbraw/zinc/45/33/03/557453303.db2.gz DEORWPWBLRHRBF-QINSGFPZSA-N 0 0 407.535 6.027 50 0 HKAARN CC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000034784789 557454580 /nfs/dbraw/zinc/45/45/80/557454580.db2.gz FXJVQQQNXNZWTR-UHFFFAOYSA-N 0 0 411.594 5.004 50 0 HKAARN CC1CCN(C(=O)Nc2c(N)n(-c3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000034785009 557454689 /nfs/dbraw/zinc/45/46/89/557454689.db2.gz LGWLKHWNCZXVTG-UHFFFAOYSA-N 0 0 409.921 5.039 50 0 HKAARN CC1CCN(C(=O)Nc2c(N)n(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000034785454 557454796 /nfs/dbraw/zinc/45/47/96/557454796.db2.gz PMNBFCMHVHUBHA-UHFFFAOYSA-N 0 0 423.948 5.098 50 0 HKAARN Cc1ccc(-c2ccnc3c(C(=O)N4CCC(Cc5ccccc5)CC4)cnn32)cc1C ZINC000034786278 557454957 /nfs/dbraw/zinc/45/49/57/557454957.db2.gz KYVMYUSKLOOWSB-UHFFFAOYSA-N 0 0 424.548 5.108 50 0 HKAARN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccccc1Cl ZINC000034791673 557469768 /nfs/dbraw/zinc/46/97/68/557469768.db2.gz SOWZBDXJHQXWNX-UHFFFAOYSA-N 0 0 404.882 5.056 50 0 HKAARN CC[C@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CC1)c1ccccc1 ZINC000034793831 557470286 /nfs/dbraw/zinc/47/02/86/557470286.db2.gz GIUDBCGXEPVXGK-SFHVURJKSA-N 0 0 405.498 5.104 50 0 HKAARN CC[C@@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CC1)c1ccccc1 ZINC000034793833 557470318 /nfs/dbraw/zinc/47/03/18/557470318.db2.gz GIUDBCGXEPVXGK-GOSISDBHSA-N 0 0 405.498 5.104 50 0 HKAARN CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034793895 557470502 /nfs/dbraw/zinc/47/05/02/557470502.db2.gz OTVJQZCUTQOSKU-SFHVURJKSA-N 0 0 407.514 5.179 50 0 HKAARN CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034793896 557470592 /nfs/dbraw/zinc/47/05/92/557470592.db2.gz OTVJQZCUTQOSKU-GOSISDBHSA-N 0 0 407.514 5.179 50 0 HKAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000034793925 557470552 /nfs/dbraw/zinc/47/05/52/557470552.db2.gz OVNAAUSXSKBOFV-UHFFFAOYSA-N 0 0 413.905 5.198 50 0 HKAARN CC[C@H](C(=O)Nc1c(CC(C)C)[nH]nc1-c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000034793940 557470505 /nfs/dbraw/zinc/47/05/05/557470505.db2.gz ILYNJHCRAWPFDP-IBGZPJMESA-N 0 0 421.541 5.425 50 0 HKAARN CC[C@@H](C(=O)Nc1c(CC(C)C)[nH]nc1-c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000034793942 557470578 /nfs/dbraw/zinc/47/05/78/557470578.db2.gz ILYNJHCRAWPFDP-LJQANCHMSA-N 0 0 421.541 5.425 50 0 HKAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)OCc2ccccc2)cc1OC ZINC000034793956 557470447 /nfs/dbraw/zinc/47/04/47/557470447.db2.gz OKKOBZBMGMXGOF-UHFFFAOYSA-N 0 0 409.486 5.041 50 0 HKAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000034793959 557470498 /nfs/dbraw/zinc/47/04/98/557470498.db2.gz XBRWZIISEUJMEU-UHFFFAOYSA-N 0 0 413.905 5.198 50 0 HKAARN CCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794405 557470809 /nfs/dbraw/zinc/47/08/09/557470809.db2.gz XMFNQRISKDXXNQ-UHFFFAOYSA-N 0 0 407.823 5.954 50 0 HKAARN CC(C)Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794417 558784007 /nfs/dbraw/zinc/78/40/07/558784007.db2.gz GNPBBPPFFRBLDT-UHFFFAOYSA-N 0 0 421.850 6.200 50 0 HKAARN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794629 557470823 /nfs/dbraw/zinc/47/08/23/557470823.db2.gz FWTSXBFFNJURRZ-UHFFFAOYSA-N 0 0 417.387 5.029 50 0 HKAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000034794850 557470836 /nfs/dbraw/zinc/47/08/36/557470836.db2.gz XDPGNXKAYSLXFG-UHFFFAOYSA-N 0 0 400.309 6.130 50 0 HKAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794909 557471104 /nfs/dbraw/zinc/47/11/04/557471104.db2.gz DPDVZHAVWGYWHM-UHFFFAOYSA-N 0 0 401.432 5.917 50 0 HKAARN COc1ccc(CCc2n[nH]c(C)c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034795170 557471124 /nfs/dbraw/zinc/47/11/24/557471124.db2.gz CPXZHSNMWRFTRV-UHFFFAOYSA-N 0 0 404.297 5.071 50 0 HKAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034795231 557471095 /nfs/dbraw/zinc/47/10/95/557471095.db2.gz NKKKBOJNBAASMV-NRFANRHFSA-N 0 0 405.542 5.288 50 0 HKAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034795232 557471070 /nfs/dbraw/zinc/47/10/70/557471070.db2.gz NKKKBOJNBAASMV-OAQYLSRUSA-N 0 0 405.542 5.288 50 0 HKAARN Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)COc1ccc(Cl)cc1 ZINC000034795453 557471318 /nfs/dbraw/zinc/47/13/18/557471318.db2.gz VWACATXVHPDMQY-UHFFFAOYSA-N 0 0 409.795 5.075 50 0 HKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1ccc(Cl)cc1 ZINC000034795535 557471344 /nfs/dbraw/zinc/47/13/44/557471344.db2.gz LEEKWXQGDOLKQJ-UHFFFAOYSA-N 0 0 405.807 5.879 50 0 HKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1cccc(Cl)c1 ZINC000034795567 557471279 /nfs/dbraw/zinc/47/12/79/557471279.db2.gz VLQDEYDBJKETNL-UHFFFAOYSA-N 0 0 405.807 5.879 50 0 HKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1ccc(F)cc1F ZINC000034795572 557471270 /nfs/dbraw/zinc/47/12/70/557471270.db2.gz LTRZXMMFELRMHD-UHFFFAOYSA-N 0 0 407.342 5.503 50 0 HKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1cc(F)cc(F)c1 ZINC000034795573 557471338 /nfs/dbraw/zinc/47/13/38/557471338.db2.gz ATICMOWAFVZUDE-UHFFFAOYSA-N 0 0 407.342 5.503 50 0 HKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1c(F)cccc1F ZINC000034795575 557471287 /nfs/dbraw/zinc/47/12/87/557471287.db2.gz UMGGWMBXCGNSNV-UHFFFAOYSA-N 0 0 407.342 5.503 50 0 HKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccccc1Cl ZINC000034795584 557471350 /nfs/dbraw/zinc/47/13/50/557471350.db2.gz MMOXFVCDESARJB-UHFFFAOYSA-N 0 0 407.823 5.954 50 0 HKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795588 557471303 /nfs/dbraw/zinc/47/13/03/557471303.db2.gz MDCRXZQZZFFJFT-UHFFFAOYSA-N 0 0 407.823 5.954 50 0 HKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034795595 557471326 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ZINC000034832390 557466586 /nfs/dbraw/zinc/46/65/86/557466586.db2.gz MGORIWSFVHLBPO-UHFFFAOYSA-N 0 0 406.436 5.224 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)nc3cc(C(C)(C)C)nn32)c1 ZINC000034832488 557466914 /nfs/dbraw/zinc/46/69/14/557466914.db2.gz SNQSGAZGHJQMMC-UHFFFAOYSA-N 0 0 418.472 5.094 50 0 HKAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2)nc2cc(C(C)(C)C)nn21 ZINC000034832546 557466853 /nfs/dbraw/zinc/46/68/53/557466853.db2.gz XJCGPTATWQELHW-UHFFFAOYSA-N 0 0 418.472 5.094 50 0 HKAARN Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034832676 557466975 /nfs/dbraw/zinc/46/69/75/557466975.db2.gz UBMSMSHBMOXABR-UHFFFAOYSA-N 0 0 418.500 5.224 50 0 HKAARN O=C(NC1CCCCC1)c1cc(-c2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1 ZINC000034832708 557466868 /nfs/dbraw/zinc/46/68/68/557466868.db2.gz SJBAUMAKQHRYIH-UHFFFAOYSA-N 0 0 414.484 5.265 50 0 HKAARN CCCN(CCC)C(=O)c1cc(-c2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1 ZINC000034832728 557466863 /nfs/dbraw/zinc/46/68/63/557466863.db2.gz WISGYAUIROTKKF-UHFFFAOYSA-N 0 0 416.500 5.465 50 0 HKAARN CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n3nc(-c4ccccc4)cc3n2)CC1 ZINC000034832730 558784540 /nfs/dbraw/zinc/78/45/40/558784540.db2.gz LAYLUFBADJWLLP-UHFFFAOYSA-N 0 0 414.484 5.075 50 0 HKAARN CCN(CC)C(=O)c1cc(-c2ccccc2F)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034833090 557466983 /nfs/dbraw/zinc/46/69/83/557466983.db2.gz IBOOAMCHXVXRDP-UHFFFAOYSA-N 0 0 422.891 5.338 50 0 HKAARN CC(C)(C)c1cc2nc(-c3ccccc3Cl)cc(C(=O)NC3CCCCC3)n2n1 ZINC000034833143 557467104 /nfs/dbraw/zinc/46/71/04/557467104.db2.gz PRBLSURPUWRVFR-UHFFFAOYSA-N 0 0 410.949 5.410 50 0 HKAARN CCCN(CCC)C(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn21 ZINC000034833179 558784405 /nfs/dbraw/zinc/78/44/05/558784405.db2.gz JPJIFBGSCWAYMM-UHFFFAOYSA-N 0 0 412.965 5.609 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3F)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833472 557467172 /nfs/dbraw/zinc/46/71/72/557467172.db2.gz IEJMXDLVRYEJEE-UHFFFAOYSA-N 0 0 418.472 5.094 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833474 557467134 /nfs/dbraw/zinc/46/71/34/557467134.db2.gz RUWHNKUHHRPAJW-UHFFFAOYSA-N 0 0 418.472 5.094 50 0 HKAARN CCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(C(C)(C)C)nn21 ZINC000034833542 557467454 /nfs/dbraw/zinc/46/74/54/557467454.db2.gz IBSBIVWDLWPGGV-UHFFFAOYSA-N 0 0 408.546 5.013 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)n3nc(C(C)(C)C)cc3n2)c1 ZINC000034833572 557467409 /nfs/dbraw/zinc/46/74/09/557467409.db2.gz INPLJPOYYZVYNO-UHFFFAOYSA-N 0 0 418.472 5.094 50 0 HKAARN CC(C)CNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833703 557467361 /nfs/dbraw/zinc/46/73/61/557467361.db2.gz YCOYECXKPSZFHR-UHFFFAOYSA-N 0 0 404.901 5.103 50 0 HKAARN CC(C)(C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833709 557467413 /nfs/dbraw/zinc/46/74/13/557467413.db2.gz PQKDYNIJKZZLCW-UHFFFAOYSA-N 0 0 404.901 5.245 50 0 HKAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833710 557467373 /nfs/dbraw/zinc/46/73/73/557467373.db2.gz CJRAXNMVCXHXNF-OAHLLOKOSA-N 0 0 404.901 5.245 50 0 HKAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833711 557467394 /nfs/dbraw/zinc/46/73/94/557467394.db2.gz CJRAXNMVCXHXNF-HNNXBMFYSA-N 0 0 404.901 5.245 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833712 557467457 /nfs/dbraw/zinc/46/74/57/557467457.db2.gz LODXIZUTWANMPU-UHFFFAOYSA-N 0 0 404.901 5.247 50 0 HKAARN CCN(CC)C(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833720 557467465 /nfs/dbraw/zinc/46/74/65/557467465.db2.gz ZWOJOSFESHHPBJ-UHFFFAOYSA-N 0 0 404.901 5.199 50 0 HKAARN CC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833792 557467327 /nfs/dbraw/zinc/46/73/27/557467327.db2.gz FBQIKZRKPFDACF-MRXNPFEDSA-N 0 0 418.928 5.491 50 0 HKAARN CC(C)[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833793 557467357 /nfs/dbraw/zinc/46/73/57/557467357.db2.gz FBQIKZRKPFDACF-INIZCTEOSA-N 0 0 418.928 5.491 50 0 HKAARN CC(C)CCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833801 557467445 /nfs/dbraw/zinc/46/74/45/557467445.db2.gz OTGAVLVYEKPYSY-UHFFFAOYSA-N 0 0 418.928 5.493 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833802 557467438 /nfs/dbraw/zinc/46/74/38/557467438.db2.gz ZDVSAZHILIJJBP-UHFFFAOYSA-N 0 0 418.928 5.637 50 0 HKAARN O=C(NC1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034833807 557467448 /nfs/dbraw/zinc/46/74/48/557467448.db2.gz AZDIHFUFXWLDPL-UHFFFAOYSA-N 0 0 414.484 5.265 50 0 HKAARN CCCN(CCC)C(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034833830 557467442 /nfs/dbraw/zinc/46/74/42/557467442.db2.gz QYOQEYNPHISOTI-UHFFFAOYSA-N 0 0 416.500 5.465 50 0 HKAARN CCCCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034833855 557467429 /nfs/dbraw/zinc/46/74/29/557467429.db2.gz WACJCLQMJBZEEF-UHFFFAOYSA-N 0 0 416.500 5.513 50 0 HKAARN CCCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21 ZINC000034833866 557467350 /nfs/dbraw/zinc/46/73/50/557467350.db2.gz VQXTVOJLSSWVFK-UHFFFAOYSA-N 0 0 402.473 5.122 50 0 HKAARN CC1CCN(C(=O)c2cc(-c3ccccc3F)nc3cc(-c4ccccc4)nn32)CC1 ZINC000034833914 557467540 /nfs/dbraw/zinc/46/75/40/557467540.db2.gz HQQSBQDORNSXPC-UHFFFAOYSA-N 0 0 414.484 5.075 50 0 HKAARN CCCCCCNC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833954 557467624 /nfs/dbraw/zinc/46/76/24/557467624.db2.gz ONRITCMFKUYZJA-UHFFFAOYSA-N 0 0 416.500 5.513 50 0 HKAARN CC(C)CNC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834117 557467576 /nfs/dbraw/zinc/46/75/76/557467576.db2.gz AUBOMSWIQLMKOJ-UHFFFAOYSA-N 0 0 422.891 5.242 50 0 HKAARN CC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834122 557467580 /nfs/dbraw/zinc/46/75/80/557467580.db2.gz AFFRGGUNQVKREB-UHFFFAOYSA-N 0 0 422.891 5.384 50 0 HKAARN CCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834131 557467599 /nfs/dbraw/zinc/46/75/99/557467599.db2.gz DJBFKMGOFGNLOL-UHFFFAOYSA-N 0 0 422.891 5.386 50 0 HKAARN O=C(c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21)N1CCCC1 ZINC000034834133 557467616 /nfs/dbraw/zinc/46/76/16/557467616.db2.gz SXPZVUFXKWVEJG-UHFFFAOYSA-N 0 0 420.875 5.092 50 0 HKAARN CCN(CC)C(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834135 558784520 /nfs/dbraw/zinc/78/45/20/558784520.db2.gz JZFLMQBFRQFZJI-UHFFFAOYSA-N 0 0 422.891 5.338 50 0 HKAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3)cc21 ZINC000034836070 557467918 /nfs/dbraw/zinc/46/79/18/557467918.db2.gz ONDSHHFVKHWWAW-UHFFFAOYSA-N 0 0 412.489 5.096 50 0 HKAARN CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccccc3F)ccc12 ZINC000034836288 557467964 /nfs/dbraw/zinc/46/79/64/557467964.db2.gz KTFSKTUFCFCQAP-UHFFFAOYSA-N 0 0 422.500 5.082 50 0 HKAARN CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccc(F)cc3)ccc12 ZINC000034836291 557467940 /nfs/dbraw/zinc/46/79/40/557467940.db2.gz PXHWRVLSAXAMTH-UHFFFAOYSA-N 0 0 422.500 5.082 50 0 HKAARN CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3cccc(F)c3)ccc12 ZINC000034836312 557467916 /nfs/dbraw/zinc/46/79/16/557467916.db2.gz KCHSXVWZSLYFKG-UHFFFAOYSA-N 0 0 422.500 5.082 50 0 HKAARN CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)NCC3CCCCC3)ccc12 ZINC000034836315 557467892 /nfs/dbraw/zinc/46/78/92/557467892.db2.gz QEOVOGDOFSYJRH-UHFFFAOYSA-N 0 0 424.585 5.000 50 0 HKAARN O=C(Nc1ccccc1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837631 557468376 /nfs/dbraw/zinc/46/83/76/557468376.db2.gz UUISAXLDFRKIHT-UHFFFAOYSA-N 0 0 422.532 5.341 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1ccccc1)C2 ZINC000034839975 557468670 /nfs/dbraw/zinc/46/86/70/557468670.db2.gz CFMOMNJZQTWSCS-DQEYMECFSA-N 0 0 421.544 5.327 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1ccccc1)C2 ZINC000034839979 557468660 /nfs/dbraw/zinc/46/86/60/557468660.db2.gz CFMOMNJZQTWSCS-LOSJGSFVSA-N 0 0 421.544 5.327 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccccc1)C2 ZINC000034839982 557468595 /nfs/dbraw/zinc/46/85/95/557468595.db2.gz CFMOMNJZQTWSCS-RPBOFIJWSA-N 0 0 421.544 5.327 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@@H](c1ccccc1)C2 ZINC000034839986 557468632 /nfs/dbraw/zinc/46/86/32/557468632.db2.gz CFMOMNJZQTWSCS-JWQCQUIFSA-N 0 0 421.544 5.327 50 0 HKAARN Cc1sc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(C(=O)OC(C)C)c1C ZINC000034848013 557469284 /nfs/dbraw/zinc/46/92/84/557469284.db2.gz FAWSRLCWPXOHBF-VURMDHGXSA-N 0 0 412.338 5.889 50 0 HKAARN Cc1ccc(-c2csc(-n3nc(/C=C/c4ccco4)cc3C(F)(F)F)n2)cc1 ZINC000034854415 568829417 /nfs/dbraw/zinc/82/94/17/568829417.db2.gz AUYBLXKHVVBCFN-CMDGGOBGSA-N 0 0 401.413 6.086 50 0 HKAARN CC[C@@H](C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856751 558785312 /nfs/dbraw/zinc/78/53/12/558785312.db2.gz XGBOXQUTPFMYLI-GJZUVCINSA-N 0 0 423.560 5.520 50 0 HKAARN CC[C@@H](C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856752 557477628 /nfs/dbraw/zinc/47/76/28/557477628.db2.gz XGBOXQUTPFMYLI-ATIYNZHBSA-N 0 0 423.560 5.520 50 0 HKAARN CC[C@H](C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856753 557477595 /nfs/dbraw/zinc/47/75/95/557477595.db2.gz XGBOXQUTPFMYLI-BKMJKUGQSA-N 0 0 423.560 5.520 50 0 HKAARN O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccccc1Br ZINC000034857853 568829680 /nfs/dbraw/zinc/82/96/80/568829680.db2.gz WUSRPBUFTDEUAD-NPDFUIFFSA-N 0 0 415.312 5.111 50 0 HKAARN COc1cc(-c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc(OC)c1OC ZINC000034858628 557477778 /nfs/dbraw/zinc/47/77/78/557477778.db2.gz SMRHGURAMRNJTP-UHFFFAOYSA-N 0 0 401.466 5.375 50 0 HKAARN Clc1ccc([C@@H]2N=C(c3ccc(Br)cc3)[C@@H]3[C@H](c4ccccc4)N32)cc1 ZINC000034862136 558785652 /nfs/dbraw/zinc/78/56/52/558785652.db2.gz LYDNKZCLCAPWHA-FPEVGPDVSA-N 0 0 423.741 6.030 50 0 HKAARN Clc1ccc([C@@H]2N=C(c3ccc(Br)cc3)[C@H]3[C@H](c4ccccc4)N32)cc1 ZINC000034862138 558785718 /nfs/dbraw/zinc/78/57/18/558785718.db2.gz LYDNKZCLCAPWHA-JJYZUEOJSA-N 0 0 423.741 6.030 50 0 HKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc2ccccc21 ZINC000034863946 557478611 /nfs/dbraw/zinc/47/86/11/557478611.db2.gz CHGVRNFRNYGTRJ-UHFFFAOYSA-N 0 0 422.509 7.008 50 0 HKAARN Nc1nccc(Oc2ccc3c(cccc3C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034865030 557478625 /nfs/dbraw/zinc/47/86/25/557478625.db2.gz MLLQJNIKDWEEFT-UHFFFAOYSA-N 0 0 424.382 5.275 50 0 in-vitro HKAARN Fc1cc(CN2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000034868045 557478563 /nfs/dbraw/zinc/47/85/63/557478563.db2.gz XPUAMBZGQNYXQP-MAUKXSAKSA-N 0 0 401.425 5.269 50 0 HKAARN Fc1cc(CN2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000034868047 557478539 /nfs/dbraw/zinc/47/85/39/557478539.db2.gz XPUAMBZGQNYXQP-YJBOKZPZSA-N 0 0 401.425 5.269 50 0 HKAARN COc1ccc(-n2c(/C=C\c3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000034876925 557479162 /nfs/dbraw/zinc/47/91/62/557479162.db2.gz NUGWGMPYCMRRJW-QPEQYQDCSA-N 0 0 423.299 5.872 50 0 HKAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000034888409 558786878 /nfs/dbraw/zinc/78/68/78/558786878.db2.gz UYVILLSOAXKYGB-MFOYZWKCSA-N 0 0 421.305 5.188 50 0 HKAARN COc1cccc(/C=C/c2nc(=O)c(-c3ccccc3)c(C)n2-c2ccccc2)c1OC ZINC000034890297 557479807 /nfs/dbraw/zinc/47/98/07/557479807.db2.gz KXMBASADJVIDQE-ISLYRVAYSA-N 0 0 424.500 5.396 50 0 HKAARN O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000034895779 558787110 /nfs/dbraw/zinc/78/71/10/558787110.db2.gz IFGSFQHMGLJNCZ-SWWVQVEHSA-N 0 0 423.472 5.858 50 0 HKAARN O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000034895780 558787121 /nfs/dbraw/zinc/78/71/21/558787121.db2.gz IFGSFQHMGLJNCZ-SXCLQXCESA-N 0 0 423.472 5.858 50 0 HKAARN Clc1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000034895783 558787044 /nfs/dbraw/zinc/78/70/44/558787044.db2.gz IIOKXQGXWDBTOB-IRYNNBNGSA-N 0 0 421.028 7.569 50 0 HKAARN Clc1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@@H]2[C@H]3c2ccccc2)cc1 ZINC000034895784 558787081 /nfs/dbraw/zinc/78/70/81/558787081.db2.gz IIOKXQGXWDBTOB-UFZRHRTKSA-N 0 0 421.028 7.569 50 0 HKAARN C[C@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896522 558787088 /nfs/dbraw/zinc/78/70/88/558787088.db2.gz FKCDPOLRFRSRCW-RDJZCZTQSA-N 0 0 413.974 5.007 50 0 HKAARN C[C@@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896523 558787103 /nfs/dbraw/zinc/78/71/03/558787103.db2.gz FKCDPOLRFRSRCW-WBVHZDCISA-N 0 0 413.974 5.007 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1CN1CCCCC1 ZINC000034897614 557480329 /nfs/dbraw/zinc/48/03/29/557480329.db2.gz PEPBJCHRMAGCDK-PDGQHHTCSA-N 0 0 402.903 5.080 50 0 HKAARN CC1CCN(C(=O)c2cn3c(n2)CC[C@H](c2ccc(Oc4ccccc4)cc2)C3)CC1 ZINC000034898957 557480738 /nfs/dbraw/zinc/48/07/38/557480738.db2.gz IBBYEGBEXCNBBV-NRFANRHFSA-N 0 0 415.537 5.278 50 0 HKAARN CC1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2ccc(Oc4ccccc4)cc2)C3)CC1 ZINC000034898958 557480718 /nfs/dbraw/zinc/48/07/18/557480718.db2.gz IBBYEGBEXCNBBV-OAQYLSRUSA-N 0 0 415.537 5.278 50 0 HKAARN CCCCCNC(=O)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898965 557480744 /nfs/dbraw/zinc/48/07/44/557480744.db2.gz PLDIRZVVXABXDB-FQEVSTJZSA-N 0 0 403.526 5.325 50 0 HKAARN CCCCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898966 557480709 /nfs/dbraw/zinc/48/07/09/557480709.db2.gz PLDIRZVVXABXDB-HXUWFJFHSA-N 0 0 403.526 5.325 50 0 HKAARN O=C(COc1ccccc1)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000034899328 557481039 /nfs/dbraw/zinc/48/10/39/557481039.db2.gz JHMNLDINXZHJHL-UHFFFAOYSA-N 0 0 416.399 5.257 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000034899333 557481014 /nfs/dbraw/zinc/48/10/14/557481014.db2.gz MXPMJFMALXJLPE-UHFFFAOYSA-N 0 0 418.390 5.560 50 0 HKAARN Cc1ccsc1C(=O)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000034899334 557480978 /nfs/dbraw/zinc/48/09/78/557480978.db2.gz JHVTTWUBGIIPOP-UHFFFAOYSA-N 0 0 406.429 5.861 50 0 HKAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1cc(C)sc1C ZINC000034901039 557481199 /nfs/dbraw/zinc/48/11/99/557481199.db2.gz GYMFBHMHGGECGR-UHFFFAOYSA-N 0 0 407.461 5.197 50 0 HKAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)s1 ZINC000034901101 557481156 /nfs/dbraw/zinc/48/11/56/557481156.db2.gz NIVRSVGFLUGBRP-UHFFFAOYSA-N 0 0 413.852 5.234 50 0 HKAARN CCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902008 557481429 /nfs/dbraw/zinc/48/14/29/557481429.db2.gz BAAOYSIFNDPSRR-JOCHJYFZSA-N 0 0 401.554 5.675 50 0 HKAARN CCn1nc(C(=O)N[C@H]2CCCc3ccccc32)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902009 557481442 /nfs/dbraw/zinc/48/14/42/557481442.db2.gz BAAOYSIFNDPSRR-QFIPXVFZSA-N 0 0 401.554 5.675 50 0 HKAARN CCn1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1ccc(OC)cc1F ZINC000034902181 557481459 /nfs/dbraw/zinc/48/14/59/557481459.db2.gz AQVUBXXURGXDIQ-UHFFFAOYSA-N 0 0 408.260 5.277 50 0 HKAARN CCCn1nc(-c2ccccc2OC)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000034902710 557481533 /nfs/dbraw/zinc/48/15/33/557481533.db2.gz ZFAOEZXHYUEJSC-UHFFFAOYSA-N 0 0 403.404 5.240 50 0 HKAARN O=C(Cc1cccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034903429 558787404 /nfs/dbraw/zinc/78/74/04/558787404.db2.gz RHEBHYVLULXPEH-UHFFFAOYSA-N 0 0 420.556 5.316 50 0 HKAARN CCCn1c(N)c(-c2cccc(C)c2)c2ccc(NC(=O)c3ccccc3)cc2c1=O ZINC000034904343 557472662 /nfs/dbraw/zinc/47/26/62/557472662.db2.gz YZDCXUCOQWVOTH-UHFFFAOYSA-N 0 0 411.505 5.221 50 0 HKAARN CCOc1ccccc1-c1nc2ccc(-c3ccc(OC)c(OC)c3OC)cc2o1 ZINC000034904414 557472538 /nfs/dbraw/zinc/47/25/38/557472538.db2.gz ZBZMTZIZMJDEKK-UHFFFAOYSA-N 0 0 405.450 5.586 50 0 HKAARN O=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906499 557473509 /nfs/dbraw/zinc/47/35/09/557473509.db2.gz KTHOKUQXFIEPPA-UHFFFAOYSA-N 0 0 422.617 5.282 50 0 HKAARN CC1CCN(C(=O)C2CCN(c3nc4ccccc4n3CC3CCCCC3)CC2)CC1 ZINC000034906518 557473435 /nfs/dbraw/zinc/47/34/35/557473435.db2.gz UKXYKWVTIYGVPM-UHFFFAOYSA-N 0 0 422.617 5.092 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3C3CCCC3)CC2)cc1 ZINC000034906662 557473895 /nfs/dbraw/zinc/47/38/95/557473895.db2.gz BUEWDNHKMNOBDS-UHFFFAOYSA-N 0 0 402.542 5.315 50 0 HKAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3n2C2CCCC2)CC1)c1ccccc1 ZINC000034906665 557473994 /nfs/dbraw/zinc/47/39/94/557473994.db2.gz RBRAZNWXRSTOAN-IBGZPJMESA-N 0 0 416.569 5.245 50 0 HKAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3n2C2CCCC2)CC1)c1ccccc1 ZINC000034906666 557473987 /nfs/dbraw/zinc/47/39/87/557473987.db2.gz RBRAZNWXRSTOAN-LJQANCHMSA-N 0 0 416.569 5.245 50 0 HKAARN C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906680 557473834 /nfs/dbraw/zinc/47/38/34/557473834.db2.gz NGGJKBKOEJMPKB-PZJWPPBQSA-N 0 0 416.569 5.245 50 0 HKAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906681 557473844 /nfs/dbraw/zinc/47/38/44/557473844.db2.gz NGGJKBKOEJMPKB-TZIWHRDSSA-N 0 0 416.569 5.245 50 0 HKAARN C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906682 557474024 /nfs/dbraw/zinc/47/40/24/557474024.db2.gz NGGJKBKOEJMPKB-FPOVZHCZSA-N 0 0 416.569 5.245 50 0 HKAARN C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1)c1ccccc1 ZINC000034906683 557474008 /nfs/dbraw/zinc/47/40/08/557474008.db2.gz NGGJKBKOEJMPKB-CTNGQTDRSA-N 0 0 416.569 5.245 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000034906757 557473850 /nfs/dbraw/zinc/47/38/50/557473850.db2.gz UDVFFWKDACPFJM-UHFFFAOYSA-N 0 0 408.521 5.077 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3CCC(C)C)CC2)cc1C ZINC000034906758 557474002 /nfs/dbraw/zinc/47/40/02/557474002.db2.gz GMBUGFGVWDMAMV-UHFFFAOYSA-N 0 0 418.585 5.554 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4n3CCC(C)C)CC2)cc1 ZINC000034906759 557474032 /nfs/dbraw/zinc/47/40/32/557474032.db2.gz CGCWVRMVKLKYRJ-UHFFFAOYSA-N 0 0 404.558 5.246 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034906764 558787337 /nfs/dbraw/zinc/78/73/37/558787337.db2.gz PQLMMQGCEGFRDY-FQEVSTJZSA-N 0 0 418.585 5.176 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034906765 558787268 /nfs/dbraw/zinc/78/72/68/558787268.db2.gz PQLMMQGCEGFRDY-HXUWFJFHSA-N 0 0 418.585 5.176 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4n3CCC(C)C)C2)cc1C ZINC000034906790 557473971 /nfs/dbraw/zinc/47/39/71/557473971.db2.gz IYMJZNVSPYMNNJ-OAQYLSRUSA-N 0 0 418.585 5.554 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4n3CCC(C)C)C2)cc1C ZINC000034906791 557473806 /nfs/dbraw/zinc/47/38/06/557473806.db2.gz IYMJZNVSPYMNNJ-NRFANRHFSA-N 0 0 418.585 5.554 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4n3CCC(C)C)C2)cc1 ZINC000034906792 557473817 /nfs/dbraw/zinc/47/38/17/557473817.db2.gz GCVGYROXXJXWAW-HXUWFJFHSA-N 0 0 404.558 5.246 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4n3CCC(C)C)C2)cc1 ZINC000034906793 557473924 /nfs/dbraw/zinc/47/39/24/557473924.db2.gz GCVGYROXXJXWAW-FQEVSTJZSA-N 0 0 404.558 5.246 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034906798 557473906 /nfs/dbraw/zinc/47/39/06/557473906.db2.gz XSDWMYBBSTYOSQ-UNMCSNQZSA-N 0 0 418.585 5.176 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034906799 557474325 /nfs/dbraw/zinc/47/43/25/557474325.db2.gz XSDWMYBBSTYOSQ-RBBKRZOGSA-N 0 0 418.585 5.176 50 0 HKAARN O=C(NCCCNc1nc2ccccc2n1C1CCCCC1)Nc1cccc(F)c1 ZINC000034906861 557474236 /nfs/dbraw/zinc/47/42/36/557474236.db2.gz PFKOEKVYHBDTOC-UHFFFAOYSA-N 0 0 409.509 5.304 50 0 HKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000034907108 557474318 /nfs/dbraw/zinc/47/43/18/557474318.db2.gz DDNUZRCICKBHJI-UHFFFAOYSA-N 0 0 412.537 5.169 50 0 HKAARN CCCCc1ccc(C(=O)NC2CCN(c3nc4ccccc4n3C(C)C)CC2)cc1 ZINC000034907114 557474267 /nfs/dbraw/zinc/47/42/67/557474267.db2.gz JAIPSZUVGXKYLZ-UHFFFAOYSA-N 0 0 418.585 5.359 50 0 HKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000034907154 557474260 /nfs/dbraw/zinc/47/42/60/557474260.db2.gz NBIFZERPYLWWKI-UHFFFAOYSA-N 0 0 412.537 5.169 50 0 HKAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034907160 557474256 /nfs/dbraw/zinc/47/42/56/557474256.db2.gz XKGNEMHRDGCVGB-UHFFFAOYSA-N 0 0 418.585 5.314 50 0 HKAARN CCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034907250 557474324 /nfs/dbraw/zinc/47/43/24/557474324.db2.gz OFJZJMWWTOOLLY-UHFFFAOYSA-N 0 0 416.352 6.291 50 0 HKAARN CCc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(Cl)cc1 ZINC000034907369 557474315 /nfs/dbraw/zinc/47/43/15/557474315.db2.gz DSICNIUHOKXPFK-UHFFFAOYSA-N 0 0 404.695 5.103 50 0 HKAARN CCc1cc(NC(=O)c2ccccc2Br)nn1-c1cccc(Cl)c1 ZINC000034907393 557474240 /nfs/dbraw/zinc/47/42/40/557474240.db2.gz UBCOZFBNPNBCFP-UHFFFAOYSA-N 0 0 404.695 5.103 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034907634 558787415 /nfs/dbraw/zinc/78/74/15/558787415.db2.gz GKSOYIJDMWSLSG-HXUWFJFHSA-N 0 0 406.482 5.602 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034907635 558787432 /nfs/dbraw/zinc/78/74/32/558787432.db2.gz GKSOYIJDMWSLSG-FQEVSTJZSA-N 0 0 406.482 5.602 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907656 557474462 /nfs/dbraw/zinc/47/44/62/557474462.db2.gz UBDQAZBYFSZCNW-NRFANRHFSA-N 0 0 402.881 6.126 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907657 557474365 /nfs/dbraw/zinc/47/43/65/557474365.db2.gz UBDQAZBYFSZCNW-OAQYLSRUSA-N 0 0 402.881 6.126 50 0 HKAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907680 557474410 /nfs/dbraw/zinc/47/44/10/557474410.db2.gz HUOHQZGWYBPBPS-HSZRJFAPSA-N 0 0 412.489 5.410 50 0 HKAARN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907681 557474345 /nfs/dbraw/zinc/47/43/45/557474345.db2.gz HUOHQZGWYBPBPS-QHCPKHFHSA-N 0 0 412.489 5.410 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907684 557474422 /nfs/dbraw/zinc/47/44/22/557474422.db2.gz WOLRYASKDZHFBG-XMMPIXPASA-N 0 0 424.544 6.770 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907685 557474357 /nfs/dbraw/zinc/47/43/57/557474357.db2.gz WOLRYASKDZHFBG-DEOSSOPVSA-N 0 0 424.544 6.770 50 0 HKAARN O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907692 557474418 /nfs/dbraw/zinc/47/44/18/557474418.db2.gz LLZNXABBMODPDL-VWLOTQADSA-N 0 0 418.496 6.625 50 0 HKAARN O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907693 557474396 /nfs/dbraw/zinc/47/43/96/557474396.db2.gz LLZNXABBMODPDL-RUZDIDTESA-N 0 0 418.496 6.625 50 0 HKAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907700 557474436 /nfs/dbraw/zinc/47/44/36/557474436.db2.gz FYDNNJOGQOEPRN-FQEVSTJZSA-N 0 0 412.445 5.201 50 0 HKAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907701 557474440 /nfs/dbraw/zinc/47/44/40/557474440.db2.gz FYDNNJOGQOEPRN-HXUWFJFHSA-N 0 0 412.445 5.201 50 0 HKAARN CCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907704 557474432 /nfs/dbraw/zinc/47/44/32/557474432.db2.gz RBSAGTYAYMNADK-RUZDIDTESA-N 0 0 424.544 6.815 50 0 HKAARN CCCCc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034907705 557474371 /nfs/dbraw/zinc/47/43/71/557474371.db2.gz RBSAGTYAYMNADK-VWLOTQADSA-N 0 0 424.544 6.815 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907720 557474375 /nfs/dbraw/zinc/47/43/75/557474375.db2.gz BKVXHUDINKTRDO-NRFANRHFSA-N 0 0 402.881 6.126 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907721 557474465 /nfs/dbraw/zinc/47/44/65/557474465.db2.gz BKVXHUDINKTRDO-OAQYLSRUSA-N 0 0 402.881 6.126 50 0 HKAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907726 557474468 /nfs/dbraw/zinc/47/44/68/557474468.db2.gz ULMZHAIBUJSGGN-QFIPXVFZSA-N 0 0 400.453 5.540 50 0 HKAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907727 557474413 /nfs/dbraw/zinc/47/44/13/557474413.db2.gz ULMZHAIBUJSGGN-JOCHJYFZSA-N 0 0 400.453 5.540 50 0 HKAARN O=C(c1ccccc1Cl)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907740 557474426 /nfs/dbraw/zinc/47/44/26/557474426.db2.gz OBQGVLFWFXAFFL-OAQYLSRUSA-N 0 0 420.871 6.265 50 0 HKAARN O=C(c1ccccc1Cl)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907741 557474361 /nfs/dbraw/zinc/47/43/61/557474361.db2.gz OBQGVLFWFXAFFL-NRFANRHFSA-N 0 0 420.871 6.265 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907742 557474390 /nfs/dbraw/zinc/47/43/90/557474390.db2.gz XFSRZOZQJSRQMU-NRFANRHFSA-N 0 0 420.871 6.265 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907743 557474447 /nfs/dbraw/zinc/47/44/47/557474447.db2.gz XFSRZOZQJSRQMU-OAQYLSRUSA-N 0 0 420.871 6.265 50 0 HKAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907764 557474471 /nfs/dbraw/zinc/47/44/71/557474471.db2.gz PUPQABXSQVVGPC-HSZRJFAPSA-N 0 0 414.480 5.930 50 0 HKAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907765 557474352 /nfs/dbraw/zinc/47/43/52/557474352.db2.gz PUPQABXSQVVGPC-QHCPKHFHSA-N 0 0 414.480 5.930 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907786 557474695 /nfs/dbraw/zinc/47/46/95/557474695.db2.gz QJFITCDFBGFSSD-NRFANRHFSA-N 0 0 420.871 6.265 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907787 557474654 /nfs/dbraw/zinc/47/46/54/557474654.db2.gz QJFITCDFBGFSSD-OAQYLSRUSA-N 0 0 420.871 6.265 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)COc3ccccc3)nc2c1 ZINC000034907804 557474691 /nfs/dbraw/zinc/47/46/91/557474691.db2.gz LYMCKMXZXYBBGK-QHCPKHFHSA-N 0 0 412.489 5.546 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)COc3ccccc3)nc2c1 ZINC000034907805 557474633 /nfs/dbraw/zinc/47/46/33/557474633.db2.gz LYMCKMXZXYBBGK-HSZRJFAPSA-N 0 0 412.489 5.546 50 0 HKAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4C)ccc3o2)c1 ZINC000034907808 557474701 /nfs/dbraw/zinc/47/47/01/557474701.db2.gz HPLAOZBQJBNLIL-QHCPKHFHSA-N 0 0 412.489 5.789 50 0 HKAARN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4C)ccc3o2)c1 ZINC000034907809 557474657 /nfs/dbraw/zinc/47/46/57/557474657.db2.gz HPLAOZBQJBNLIL-HSZRJFAPSA-N 0 0 412.489 5.789 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2c1 ZINC000034907814 557474650 /nfs/dbraw/zinc/47/46/50/557474650.db2.gz WSFBYARCKMQFKU-QHCPKHFHSA-N 0 0 414.480 5.849 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2c1 ZINC000034907815 557474684 /nfs/dbraw/zinc/47/46/84/557474684.db2.gz WSFBYARCKMQFKU-HSZRJFAPSA-N 0 0 414.480 5.849 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)Cc4cccs4)nc3c2)c1 ZINC000034907832 557474677 /nfs/dbraw/zinc/47/46/77/557474677.db2.gz MWPCFMKAIIDUTE-NRFANRHFSA-N 0 0 402.519 5.771 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)Cc4cccs4)nc3c2)c1 ZINC000034907833 557474624 /nfs/dbraw/zinc/47/46/24/557474624.db2.gz MWPCFMKAIIDUTE-OAQYLSRUSA-N 0 0 402.519 5.771 50 0 HKAARN COc1ccccc1C(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(C)c3)ccc2o1 ZINC000034907852 557474617 /nfs/dbraw/zinc/47/46/17/557474617.db2.gz ULBCYRJHHABLKP-QFIPXVFZSA-N 0 0 412.489 5.789 50 0 HKAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(C)c3)ccc2o1 ZINC000034907853 557474697 /nfs/dbraw/zinc/47/46/97/557474697.db2.gz ULBCYRJHHABLKP-JOCHJYFZSA-N 0 0 412.489 5.789 50 0 HKAARN COc1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4cccs4)nc3c2)cc1 ZINC000034907902 557474603 /nfs/dbraw/zinc/47/46/03/557474603.db2.gz MWOIXPSDHBYFIS-IBGZPJMESA-N 0 0 404.491 5.542 50 0 HKAARN COc1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4cccs4)nc3c2)cc1 ZINC000034907903 557474665 /nfs/dbraw/zinc/47/46/65/557474665.db2.gz MWOIXPSDHBYFIS-LJQANCHMSA-N 0 0 404.491 5.542 50 0 HKAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000034907950 557474716 /nfs/dbraw/zinc/47/47/16/557474716.db2.gz NVGUSEVUZPWRJA-HSZRJFAPSA-N 0 0 412.489 5.789 50 0 HKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000034907951 557474687 /nfs/dbraw/zinc/47/46/87/557474687.db2.gz NVGUSEVUZPWRJA-QHCPKHFHSA-N 0 0 412.489 5.789 50 0 HKAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4C)nc3c2)c1 ZINC000034907962 557474670 /nfs/dbraw/zinc/47/46/70/557474670.db2.gz ZNNPYOXIFIRFEN-HSZRJFAPSA-N 0 0 412.489 5.789 50 0 HKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4C)nc3c2)c1 ZINC000034907963 557474645 /nfs/dbraw/zinc/47/46/45/557474645.db2.gz ZNNPYOXIFIRFEN-QHCPKHFHSA-N 0 0 412.489 5.789 50 0 HKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(OC)c3)ccc2o1 ZINC000034907980 557474674 /nfs/dbraw/zinc/47/46/74/557474674.db2.gz XIHLEBBNNHOYBD-JOCHJYFZSA-N 0 0 406.526 6.137 50 0 HKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(OC)c3)ccc2o1 ZINC000034907981 557474630 /nfs/dbraw/zinc/47/46/30/557474630.db2.gz XIHLEBBNNHOYBD-QFIPXVFZSA-N 0 0 406.526 6.137 50 0 HKAARN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908006 557474627 /nfs/dbraw/zinc/47/46/27/557474627.db2.gz COFLVGVSFZAVDG-NRFANRHFSA-N 0 0 410.464 6.017 50 0 HKAARN O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908007 557474637 /nfs/dbraw/zinc/47/46/37/557474637.db2.gz COFLVGVSFZAVDG-OAQYLSRUSA-N 0 0 410.464 6.017 50 0 HKAARN O=C(c1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908008 557474622 /nfs/dbraw/zinc/47/46/22/557474622.db2.gz OIKKFNZWJZGVTP-GOSISDBHSA-N 0 0 410.445 5.812 50 0 HKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908009 557474613 /nfs/dbraw/zinc/47/46/13/557474613.db2.gz OIKKFNZWJZGVTP-SFHVURJKSA-N 0 0 410.445 5.812 50 0 HKAARN Cc1ccccc1C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908014 557474608 /nfs/dbraw/zinc/47/46/08/557474608.db2.gz CLFSHYUJEOJLQC-JOCHJYFZSA-N 0 0 418.443 6.059 50 0 HKAARN Cc1ccccc1C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908015 557474897 /nfs/dbraw/zinc/47/48/97/557474897.db2.gz CLFSHYUJEOJLQC-QFIPXVFZSA-N 0 0 418.443 6.059 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4)nc3c2)ccc1F ZINC000034908044 557474820 /nfs/dbraw/zinc/47/48/20/557474820.db2.gz RGPPHCHTBMCOQF-QFIPXVFZSA-N 0 0 400.453 5.920 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4)nc3c2)ccc1F ZINC000034908045 557474827 /nfs/dbraw/zinc/47/48/27/557474827.db2.gz RGPPHCHTBMCOQF-JOCHJYFZSA-N 0 0 400.453 5.920 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)nc3c2)ccc1F ZINC000034908046 557474871 /nfs/dbraw/zinc/47/48/71/557474871.db2.gz QDQFCWPWFONWJE-QFIPXVFZSA-N 0 0 418.443 6.059 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccc(F)cc4)nc3c2)ccc1F ZINC000034908047 557474849 /nfs/dbraw/zinc/47/48/49/557474849.db2.gz QDQFCWPWFONWJE-JOCHJYFZSA-N 0 0 418.443 6.059 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)C4CCCCC4)nc3c2)ccc1F ZINC000034908054 557474855 /nfs/dbraw/zinc/47/48/55/557474855.db2.gz HDPUJFIEERLXNJ-QFIPXVFZSA-N 0 0 406.501 6.186 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)C4CCCCC4)nc3c2)ccc1F ZINC000034908055 557474904 /nfs/dbraw/zinc/47/49/04/557474904.db2.gz HDPUJFIEERLXNJ-JOCHJYFZSA-N 0 0 406.501 6.186 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4cccs4)nc3c2)ccc1F ZINC000034908056 557474817 /nfs/dbraw/zinc/47/48/17/557474817.db2.gz XXGLHQLQFWXLIG-IBGZPJMESA-N 0 0 406.482 5.981 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)c4cccs4)nc3c2)ccc1F ZINC000034908057 557474833 /nfs/dbraw/zinc/47/48/33/557474833.db2.gz XXGLHQLQFWXLIG-LJQANCHMSA-N 0 0 406.482 5.981 50 0 HKAARN Cc1ccccc1C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(C)c3)ccc2o1 ZINC000034908062 557474908 /nfs/dbraw/zinc/47/49/08/557474908.db2.gz MFZLKGCHLVENAN-HSZRJFAPSA-N 0 0 414.480 6.228 50 0 HKAARN Cc1ccccc1C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(C)c3)ccc2o1 ZINC000034908063 557474844 /nfs/dbraw/zinc/47/48/44/557474844.db2.gz MFZLKGCHLVENAN-QHCPKHFHSA-N 0 0 414.480 6.228 50 0 HKAARN O=C(c1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908102 557474881 /nfs/dbraw/zinc/47/48/81/557474881.db2.gz MMJBLHMGLMZCEB-GOSISDBHSA-N 0 0 410.445 5.812 50 0 HKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908103 557474890 /nfs/dbraw/zinc/47/48/90/557474890.db2.gz MMJBLHMGLMZCEB-SFHVURJKSA-N 0 0 410.445 5.812 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908106 557474841 /nfs/dbraw/zinc/47/48/41/557474841.db2.gz IXOXJUPCHZQNPN-HXUWFJFHSA-N 0 0 424.472 5.741 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908107 557474838 /nfs/dbraw/zinc/47/48/38/557474838.db2.gz IXOXJUPCHZQNPN-FQEVSTJZSA-N 0 0 424.472 5.741 50 0 HKAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908118 557474894 /nfs/dbraw/zinc/47/48/94/557474894.db2.gz NNMVOKILTNAAOM-OAQYLSRUSA-N 0 0 422.406 5.889 50 0 HKAARN O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908119 557474860 /nfs/dbraw/zinc/47/48/60/557474860.db2.gz NNMVOKILTNAAOM-NRFANRHFSA-N 0 0 422.406 5.889 50 0 HKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908130 557474885 /nfs/dbraw/zinc/47/48/85/557474885.db2.gz CJHMDKSWLCZUBY-OAQYLSRUSA-N 0 0 412.480 6.407 50 0 HKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908131 557474847 /nfs/dbraw/zinc/47/48/47/557474847.db2.gz CJHMDKSWLCZUBY-NRFANRHFSA-N 0 0 412.480 6.407 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908170 557474868 /nfs/dbraw/zinc/47/48/68/557474868.db2.gz PJSGPQVVGXWPTH-FQEVSTJZSA-N 0 0 406.482 5.602 50 0 HKAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908171 557474822 /nfs/dbraw/zinc/47/48/22/557474822.db2.gz PJSGPQVVGXWPTH-HXUWFJFHSA-N 0 0 406.482 5.602 50 0 HKAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908172 557474824 /nfs/dbraw/zinc/47/48/24/557474824.db2.gz XBSRILRMBNVKKJ-HSZRJFAPSA-N 0 0 414.480 5.930 50 0 HKAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908173 557474864 /nfs/dbraw/zinc/47/48/64/557474864.db2.gz XBSRILRMBNVKKJ-QHCPKHFHSA-N 0 0 414.480 5.930 50 0 HKAARN CC(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908208 557474901 /nfs/dbraw/zinc/47/49/01/557474901.db2.gz DOHLQFBHJURMEO-LJQANCHMSA-N 0 0 416.443 6.223 50 0 HKAARN CC(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000034908209 557474852 /nfs/dbraw/zinc/47/48/52/557474852.db2.gz DOHLQFBHJURMEO-IBGZPJMESA-N 0 0 416.443 6.223 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccccc4)nc3c2)cc1 ZINC000034908274 557474830 /nfs/dbraw/zinc/47/48/30/557474830.db2.gz NSPODAUPKNZNDH-QHCPKHFHSA-N 0 0 411.505 5.538 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccccc4)nc3c2)cc1 ZINC000034908275 557474861 /nfs/dbraw/zinc/47/48/61/557474861.db2.gz NSPODAUPKNZNDH-HSZRJFAPSA-N 0 0 411.505 5.538 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4cccs4)nc3c2)cc1 ZINC000034908290 557475046 /nfs/dbraw/zinc/47/50/46/557475046.db2.gz YVCRJINMWXJTBF-FQEVSTJZSA-N 0 0 417.534 5.600 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4cccs4)nc3c2)cc1 ZINC000034908291 557475096 /nfs/dbraw/zinc/47/50/96/557475096.db2.gz YVCRJINMWXJTBF-HXUWFJFHSA-N 0 0 417.534 5.600 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccco4)nc3c2)cc1 ZINC000034908292 557475049 /nfs/dbraw/zinc/47/50/49/557475049.db2.gz GFHVAVBSNAVLRZ-FQEVSTJZSA-N 0 0 401.466 5.131 50 0 HKAARN CN(C)c1ccc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccco4)nc3c2)cc1 ZINC000034908293 557475051 /nfs/dbraw/zinc/47/50/51/557475051.db2.gz GFHVAVBSNAVLRZ-HXUWFJFHSA-N 0 0 401.466 5.131 50 0 HKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908320 557475082 /nfs/dbraw/zinc/47/50/82/557475082.db2.gz UPAXGAHWRGXQID-HSZRJFAPSA-N 0 0 419.569 6.195 50 0 HKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908321 557475102 /nfs/dbraw/zinc/47/51/02/557475102.db2.gz UPAXGAHWRGXQID-QHCPKHFHSA-N 0 0 419.569 6.195 50 0 HKAARN CCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908340 557475130 /nfs/dbraw/zinc/47/51/30/557475130.db2.gz XKWXDNPTGSXRKZ-GOSISDBHSA-N 0 0 402.416 5.977 50 0 HKAARN CCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908341 557475060 /nfs/dbraw/zinc/47/50/60/557475060.db2.gz XKWXDNPTGSXRKZ-SFHVURJKSA-N 0 0 402.416 5.977 50 0 HKAARN CC(C)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908352 557475110 /nfs/dbraw/zinc/47/51/10/557475110.db2.gz KSLWFCOPTYCQBY-GOSISDBHSA-N 0 0 402.416 5.833 50 0 HKAARN CC(C)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908353 557475114 /nfs/dbraw/zinc/47/51/14/557475114.db2.gz KSLWFCOPTYCQBY-SFHVURJKSA-N 0 0 402.416 5.833 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)C3CCCCC3)nc2c1 ZINC000034908416 557475053 /nfs/dbraw/zinc/47/50/53/557475053.db2.gz QRYNGCHOBDOIMV-NRFANRHFSA-N 0 0 404.510 5.747 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)C3CCCCC3)nc2c1 ZINC000034908417 557475090 /nfs/dbraw/zinc/47/50/90/557475090.db2.gz QRYNGCHOBDOIMV-OAQYLSRUSA-N 0 0 404.510 5.747 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)c3ccccc3C)nc2c1 ZINC000034908424 557475079 /nfs/dbraw/zinc/47/50/79/557475079.db2.gz ANSWUOZCEFNDJG-JOCHJYFZSA-N 0 0 412.489 5.789 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)c3ccccc3C)nc2c1 ZINC000034908425 557475121 /nfs/dbraw/zinc/47/51/21/557475121.db2.gz ANSWUOZCEFNDJG-QFIPXVFZSA-N 0 0 412.489 5.789 50 0 HKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3OC)ccc2o1 ZINC000034908450 557475075 /nfs/dbraw/zinc/47/50/75/557475075.db2.gz GKCOUTBMMVSXNS-OAQYLSRUSA-N 0 0 406.526 6.137 50 0 HKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3OC)ccc2o1 ZINC000034908451 557475098 /nfs/dbraw/zinc/47/50/98/557475098.db2.gz GKCOUTBMMVSXNS-NRFANRHFSA-N 0 0 406.526 6.137 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)/C=C/c3ccccc3)nc2c1 ZINC000034908454 557475107 /nfs/dbraw/zinc/47/51/07/557475107.db2.gz OJJXVWJRBOONND-IGVGMEOHSA-N 0 0 424.500 5.880 50 0 HKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)/C=C/c3ccccc3)nc2c1 ZINC000034908455 557475069 /nfs/dbraw/zinc/47/50/69/557475069.db2.gz OJJXVWJRBOONND-HRNYAPDYSA-N 0 0 424.500 5.880 50 0 HKAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908468 557475118 /nfs/dbraw/zinc/47/51/18/557475118.db2.gz WVSBAABZYIDYSX-NRFANRHFSA-N 0 0 407.489 5.813 50 0 HKAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908469 557475125 /nfs/dbraw/zinc/47/51/25/557475125.db2.gz WVSBAABZYIDYSX-OAQYLSRUSA-N 0 0 407.489 5.813 50 0 HKAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908474 557475065 /nfs/dbraw/zinc/47/50/65/557475065.db2.gz IDLBUYGBNFZYAW-JOCHJYFZSA-N 0 0 415.468 5.681 50 0 HKAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908475 557475087 /nfs/dbraw/zinc/47/50/87/557475087.db2.gz IDLBUYGBNFZYAW-QFIPXVFZSA-N 0 0 415.468 5.681 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908488 557475094 /nfs/dbraw/zinc/47/50/94/557475094.db2.gz USVUREFXAOKBAQ-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908489 557475040 /nfs/dbraw/zinc/47/50/40/557475040.db2.gz USVUREFXAOKBAQ-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908518 557475085 /nfs/dbraw/zinc/47/50/85/557475085.db2.gz TXTHCXNEPQCIRQ-JOCHJYFZSA-N 0 0 411.505 6.481 50 0 HKAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908519 557475057 /nfs/dbraw/zinc/47/50/57/557475057.db2.gz TXTHCXNEPQCIRQ-QFIPXVFZSA-N 0 0 411.505 6.481 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034908520 557475043 /nfs/dbraw/zinc/47/50/43/557475043.db2.gz HNFSENXCSZWOOU-HSZRJFAPSA-N 0 0 411.505 6.426 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000034908521 557475072 /nfs/dbraw/zinc/47/50/72/557475072.db2.gz HNFSENXCSZWOOU-QHCPKHFHSA-N 0 0 411.505 6.426 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908536 557475443 /nfs/dbraw/zinc/47/54/43/557475443.db2.gz KKZAZFIEDHYJFX-OAQYLSRUSA-N 0 0 401.441 6.003 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908537 557475339 /nfs/dbraw/zinc/47/53/39/557475339.db2.gz KKZAZFIEDHYJFX-NRFANRHFSA-N 0 0 401.441 6.003 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)NC3CCCCC3)nc2c1 ZINC000034908562 557475396 /nfs/dbraw/zinc/47/53/96/557475396.db2.gz WJEOALZKCRGZGE-QFIPXVFZSA-N 0 0 403.526 5.982 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)NC3CCCCC3)nc2c1 ZINC000034908563 557475360 /nfs/dbraw/zinc/47/53/60/557475360.db2.gz WJEOALZKCRGZGE-JOCHJYFZSA-N 0 0 403.526 5.982 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4C)ccc3o2)cc1 ZINC000034908570 557475399 /nfs/dbraw/zinc/47/53/99/557475399.db2.gz HTSKCFBQSSAILE-HSZRJFAPSA-N 0 0 411.505 6.481 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4C)ccc3o2)cc1 ZINC000034908571 557475333 /nfs/dbraw/zinc/47/53/33/557475333.db2.gz HTSKCFBQSSAILE-QHCPKHFHSA-N 0 0 411.505 6.481 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)NCc3ccccc3)nc2c1 ZINC000034908572 557475407 /nfs/dbraw/zinc/47/54/07/557475407.db2.gz BYZWNVWVHYYOCE-QHCPKHFHSA-N 0 0 411.505 5.850 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)NCc3ccccc3)nc2c1 ZINC000034908573 557475434 /nfs/dbraw/zinc/47/54/34/557475434.db2.gz BYZWNVWVHYYOCE-HSZRJFAPSA-N 0 0 411.505 5.850 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccccc3F)nc2c1 ZINC000034908576 557475366 /nfs/dbraw/zinc/47/53/66/557475366.db2.gz DXXBLHKHFBFMJX-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccccc3F)nc2c1 ZINC000034908577 557475409 /nfs/dbraw/zinc/47/54/09/557475409.db2.gz DXXBLHKHFBFMJX-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3cccc(F)c3)nc2c1 ZINC000034908578 557475422 /nfs/dbraw/zinc/47/54/22/557475422.db2.gz YBKXQEDTMBYKOS-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3cccc(F)c3)nc2c1 ZINC000034908579 557475329 /nfs/dbraw/zinc/47/53/29/557475329.db2.gz YBKXQEDTMBYKOS-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908590 557475403 /nfs/dbraw/zinc/47/54/03/557475403.db2.gz CJEISGUZTOACND-QHCPKHFHSA-N 0 0 411.505 6.481 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908591 557475312 /nfs/dbraw/zinc/47/53/12/557475312.db2.gz CJEISGUZTOACND-HSZRJFAPSA-N 0 0 411.505 6.481 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)c1 ZINC000034908594 557475430 /nfs/dbraw/zinc/47/54/30/557475430.db2.gz CYZYNELFELCWIE-QFIPXVFZSA-N 0 0 403.526 5.982 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)c1 ZINC000034908595 557475417 /nfs/dbraw/zinc/47/54/17/557475417.db2.gz CYZYNELFELCWIE-JOCHJYFZSA-N 0 0 403.526 5.982 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)NCc4ccccc4)nc3c2)c1 ZINC000034908598 557475392 /nfs/dbraw/zinc/47/53/92/557475392.db2.gz OXJQWPBYTHMCFX-QHCPKHFHSA-N 0 0 411.505 5.850 50 0 HKAARN Cc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)NCc4ccccc4)nc3c2)c1 ZINC000034908599 557475376 /nfs/dbraw/zinc/47/53/76/557475376.db2.gz OXJQWPBYTHMCFX-HSZRJFAPSA-N 0 0 411.505 5.850 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)ccc1F ZINC000034908682 557475380 /nfs/dbraw/zinc/47/53/80/557475380.db2.gz UJLJVMADAUQISG-QFIPXVFZSA-N 0 0 421.516 6.122 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)NC4CCCCC4)nc3c2)ccc1F ZINC000034908683 557475414 /nfs/dbraw/zinc/47/54/14/557475414.db2.gz UJLJVMADAUQISG-JOCHJYFZSA-N 0 0 421.516 6.122 50 0 HKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)Nc4ccccc4)nc3c2)ccc1F ZINC000034908684 557475355 /nfs/dbraw/zinc/47/53/55/557475355.db2.gz GZZHDULFGFMCCH-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)Nc4ccccc4)nc3c2)ccc1F ZINC000034908685 557475388 /nfs/dbraw/zinc/47/53/88/557475388.db2.gz GZZHDULFGFMCCH-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908714 557475425 /nfs/dbraw/zinc/47/54/25/557475425.db2.gz WCDLXUZVEZVPTL-OAQYLSRUSA-N 0 0 419.431 6.142 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908715 557475343 /nfs/dbraw/zinc/47/53/43/557475343.db2.gz WCDLXUZVEZVPTL-NRFANRHFSA-N 0 0 419.431 6.142 50 0 HKAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908770 557475530 /nfs/dbraw/zinc/47/55/30/557475530.db2.gz JAMIVLKJIYZUPV-NRFANRHFSA-N 0 0 407.489 5.813 50 0 HKAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908771 557475557 /nfs/dbraw/zinc/47/55/57/557475557.db2.gz JAMIVLKJIYZUPV-OAQYLSRUSA-N 0 0 407.489 5.813 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908772 571313738 /nfs/dbraw/zinc/31/37/38/571313738.db2.gz AMYFCEZBJPAINI-OAQYLSRUSA-N 0 0 401.441 6.003 50 0 HKAARN O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908773 571313751 /nfs/dbraw/zinc/31/37/51/571313751.db2.gz AMYFCEZBJPAINI-NRFANRHFSA-N 0 0 401.441 6.003 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908778 557475611 /nfs/dbraw/zinc/47/56/11/557475611.db2.gz PRIHAFQNUVNIIV-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4ccccc4F)ccc3o2)cc1 ZINC000034908779 557475617 /nfs/dbraw/zinc/47/56/17/557475617.db2.gz PRIHAFQNUVNIIV-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908780 557475590 /nfs/dbraw/zinc/47/55/90/557475590.db2.gz WLXZUSUTAFIKED-JOCHJYFZSA-N 0 0 415.468 5.681 50 0 HKAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908781 557475643 /nfs/dbraw/zinc/47/56/43/557475643.db2.gz WLXZUSUTAFIKED-QFIPXVFZSA-N 0 0 415.468 5.681 50 0 HKAARN O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908782 557475498 /nfs/dbraw/zinc/47/54/98/557475498.db2.gz XNRDHFWMSBSRQT-NRFANRHFSA-N 0 0 419.431 6.142 50 0 HKAARN O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908783 557475511 /nfs/dbraw/zinc/47/55/11/557475511.db2.gz XNRDHFWMSBSRQT-OAQYLSRUSA-N 0 0 419.431 6.142 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908784 557475500 /nfs/dbraw/zinc/47/55/00/557475500.db2.gz LPGKYRPEVDWAQR-NRFANRHFSA-N 0 0 419.431 6.142 50 0 HKAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908785 557475561 /nfs/dbraw/zinc/47/55/61/557475561.db2.gz LPGKYRPEVDWAQR-OAQYLSRUSA-N 0 0 419.431 6.142 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908802 557475595 /nfs/dbraw/zinc/47/55/95/557475595.db2.gz WOWAHKLTGDWVAP-JOCHJYFZSA-N 0 0 415.468 6.311 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908803 557475579 /nfs/dbraw/zinc/47/55/79/557475579.db2.gz WOWAHKLTGDWVAP-QFIPXVFZSA-N 0 0 415.468 6.311 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1nc2cc(-c3cccnc3)ccc2o1 ZINC000034908826 557475538 /nfs/dbraw/zinc/47/55/38/557475538.db2.gz DPXTXHRAVCNFLB-FQEVSTJZSA-N 0 0 420.419 5.537 50 0 HKAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2cc(-c3cccnc3)ccc2o1 ZINC000034908827 557475634 /nfs/dbraw/zinc/47/56/34/557475634.db2.gz DPXTXHRAVCNFLB-HXUWFJFHSA-N 0 0 420.419 5.537 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc3cc(-c4cccnc4)ccc3o2)cc1 ZINC000034908830 557475522 /nfs/dbraw/zinc/47/55/22/557475522.db2.gz VUMDPZRYMYQOJR-JOCHJYFZSA-N 0 0 412.493 5.821 50 0 HKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc3cc(-c4cccnc4)ccc3o2)cc1 ZINC000034908831 557475639 /nfs/dbraw/zinc/47/56/39/557475639.db2.gz VUMDPZRYMYQOJR-QFIPXVFZSA-N 0 0 412.493 5.821 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908993 557475566 /nfs/dbraw/zinc/47/55/66/557475566.db2.gz ASBAENCCTSKCDI-NRFANRHFSA-N 0 0 422.481 5.160 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908994 557475509 /nfs/dbraw/zinc/47/55/09/557475509.db2.gz ASBAENCCTSKCDI-OAQYLSRUSA-N 0 0 422.481 5.160 50 0 HKAARN O=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(C(F)(F)F)c1 ZINC000034909271 557475515 /nfs/dbraw/zinc/47/55/15/557475515.db2.gz NMQVQGAJVHSNNK-UHFFFAOYSA-N 0 0 400.187 5.450 50 0 HKAARN O=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(Br)c1 ZINC000034909272 557475519 /nfs/dbraw/zinc/47/55/19/557475519.db2.gz YMKBEXPHCAFNNK-UHFFFAOYSA-N 0 0 411.086 5.194 50 0 HKAARN O=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1Br ZINC000034909277 557475543 /nfs/dbraw/zinc/47/55/43/557475543.db2.gz BTDHCWQACIKMHL-UHFFFAOYSA-N 0 0 411.086 5.194 50 0 HKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909406 557475583 /nfs/dbraw/zinc/47/55/83/557475583.db2.gz HZVNNUOFBHVFIL-UHFFFAOYSA-N 0 0 415.107 6.047 50 0 HKAARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909408 557475812 /nfs/dbraw/zinc/47/58/12/557475812.db2.gz FEENNZTUALQUFX-UHFFFAOYSA-N 0 0 402.325 6.037 50 0 HKAARN Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909414 557475807 /nfs/dbraw/zinc/47/58/07/557475807.db2.gz ISGIAQCYKJHYEU-UHFFFAOYSA-N 0 0 414.214 5.759 50 0 HKAARN Cc1cc(NC(=O)c2cc3ccccc3s2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909429 557475852 /nfs/dbraw/zinc/47/58/52/557475852.db2.gz UVAFDOJVVVCKLA-UHFFFAOYSA-N 0 0 402.306 5.955 50 0 HKAARN Cc1cc(NC(=O)c2oc3ccccc3c2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909437 557475874 /nfs/dbraw/zinc/47/58/74/557475874.db2.gz ZKBNOZFGCKRTNF-UHFFFAOYSA-N 0 0 400.265 5.794 50 0 HKAARN COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(Cl)c(Cl)c2)C1=O ZINC000034910334 569358006 /nfs/dbraw/zinc/35/80/06/569358006.db2.gz LMJRWKZAVYOADE-PXNMLYILSA-N 0 0 409.294 5.108 50 0 HKAARN Cc1cccc(-n2nc(C(=O)N[C@@H]3CCCc4ccccc43)nc2-c2ccccc2)c1 ZINC000034910922 557476136 /nfs/dbraw/zinc/47/61/36/557476136.db2.gz PKRFZZVDQWKSHR-HSZRJFAPSA-N 0 0 408.505 5.050 50 0 HKAARN Cc1cccc(-n2nc(C(=O)N[C@H]3CCCc4ccccc43)nc2-c2ccccc2)c1 ZINC000034910924 557476005 /nfs/dbraw/zinc/47/60/05/557476005.db2.gz PKRFZZVDQWKSHR-QHCPKHFHSA-N 0 0 408.505 5.050 50 0 HKAARN CCOc1ccc(/C=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1 ZINC000034911033 557476000 /nfs/dbraw/zinc/47/60/00/557476000.db2.gz XWZSELKHJBUTCA-VGOFMYFVSA-N 0 0 423.104 5.103 50 0 HKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1sc2ccccc2c1Cl ZINC000034911490 557476316 /nfs/dbraw/zinc/47/63/16/557476316.db2.gz UFOSCSVVWUEVSX-UHFFFAOYSA-N 0 0 411.360 6.645 50 0 HKAARN CC(C)c1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000034911627 557476348 /nfs/dbraw/zinc/47/63/48/557476348.db2.gz RRJUDOQXUOHBGX-UHFFFAOYSA-N 0 0 410.521 5.428 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2CCc2ccccc2)c1 ZINC000034911699 557476276 /nfs/dbraw/zinc/47/62/76/557476276.db2.gz SNQHFNFVUVCAKZ-UHFFFAOYSA-N 0 0 410.521 5.230 50 0 HKAARN CN1c2ccccc2C(C)(C)/C1=C1\C=NN(c2ccccc2)[P@@]1(=N)N1CCCC1 ZINC000034911718 557476345 /nfs/dbraw/zinc/47/63/45/557476345.db2.gz WJQBDVHMRKDKHP-GGVPUECXSA-N 0 0 405.486 5.837 50 0 HKAARN CN1c2ccccc2C(C)(C)/C1=C1\C=NN(c2ccccc2)[P@]1(=N)N1CCCC1 ZINC000034911719 557476279 /nfs/dbraw/zinc/47/62/79/557476279.db2.gz WJQBDVHMRKDKHP-HSIOHMKYSA-N 0 0 405.486 5.837 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)nc2CCc2ccccc2)c1 ZINC000034911785 557476312 /nfs/dbraw/zinc/47/63/12/557476312.db2.gz UEBGYSPFWQXCJS-UHFFFAOYSA-N 0 0 410.521 5.230 50 0 HKAARN Cc1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3C)n2)cc1C ZINC000034911833 557476555 /nfs/dbraw/zinc/47/65/55/557476555.db2.gz QWLFGMSAZDWLEG-UHFFFAOYSA-N 0 0 410.521 5.230 50 0 HKAARN Cc1ccccc1-n1nc(C(=O)Nc2ccc(C(C)C)cc2)nc1CCc1ccccc1 ZINC000034911891 557478185 /nfs/dbraw/zinc/47/81/85/557478185.db2.gz MIFINOMCPDNPPX-UHFFFAOYSA-N 0 0 424.548 5.737 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3C)n2)c1 ZINC000034911932 557478323 /nfs/dbraw/zinc/47/83/23/557478323.db2.gz ROCGPWLMMOEVBM-UHFFFAOYSA-N 0 0 410.521 5.230 50 0 HKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000034912537 557486897 /nfs/dbraw/zinc/48/68/97/557486897.db2.gz MHTQAYKXVITSPP-UHFFFAOYSA-N 0 0 415.802 5.926 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C[C@@H](C)CC(C)(C)C)cc1OC ZINC000034912570 557486861 /nfs/dbraw/zinc/48/68/61/557486861.db2.gz KFDNERNUFQWUST-QGZVFWFLSA-N 0 0 423.557 5.728 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C[C@H](C)CC(C)(C)C)cc1OC ZINC000034912571 557486919 /nfs/dbraw/zinc/48/69/19/557486919.db2.gz KFDNERNUFQWUST-KRWDZBQOSA-N 0 0 423.557 5.728 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CCC2CCCC2)cc1OC ZINC000034912579 557486832 /nfs/dbraw/zinc/48/68/32/557486832.db2.gz OUSKEAJIPOTVTC-UHFFFAOYSA-N 0 0 407.514 5.236 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn21 ZINC000034912586 557486915 /nfs/dbraw/zinc/48/69/15/557486915.db2.gz JAJVSLCUYSRZMB-QGZVFWFLSA-N 0 0 409.530 5.482 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn21 ZINC000034912587 557486825 /nfs/dbraw/zinc/48/68/25/557486825.db2.gz JAJVSLCUYSRZMB-KRWDZBQOSA-N 0 0 409.530 5.482 50 0 HKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000034912590 557486846 /nfs/dbraw/zinc/48/68/46/557486846.db2.gz WPLKXMQZUYWNSO-UHFFFAOYSA-N 0 0 421.884 5.233 50 0 HKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)CCC2CCCC2)cc1OC ZINC000034912605 557486885 /nfs/dbraw/zinc/48/68/85/557486885.db2.gz KYYAZOWOOJRZMR-UHFFFAOYSA-N 0 0 407.514 5.236 50 0 HKAARN CCc1ccc(C(=O)Nc2c(-c3ccc(OC)c(OC)c3)nc3ccc(C)cn32)cc1 ZINC000034912608 557486811 /nfs/dbraw/zinc/48/68/11/557486811.db2.gz PKLFYIBVVBBGPO-UHFFFAOYSA-N 0 0 415.493 5.142 50 0 HKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000034912616 557486903 /nfs/dbraw/zinc/48/69/03/557486903.db2.gz FXUXJESBAADPML-UHFFFAOYSA-N 0 0 421.884 5.233 50 0 HKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc2ccccc2c1 ZINC000034912646 557487067 /nfs/dbraw/zinc/48/70/67/557487067.db2.gz GEUQOMSZNLQHQH-UHFFFAOYSA-N 0 0 407.473 5.724 50 0 HKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)CSc1ccccc1 ZINC000034912650 557487058 /nfs/dbraw/zinc/48/70/58/557487058.db2.gz FBQQOJZANCNKOT-UHFFFAOYSA-N 0 0 403.507 5.049 50 0 HKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000034912664 557487092 /nfs/dbraw/zinc/48/70/92/557487092.db2.gz KPJUKXXWHGPRDU-UHFFFAOYSA-N 0 0 413.521 5.868 50 0 HKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034912668 557487076 /nfs/dbraw/zinc/48/70/76/557487076.db2.gz YEQXJMHTUBCZFI-UHFFFAOYSA-N 0 0 415.537 5.473 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccccc3OC)nc3cc(C)ccn32)cc1 ZINC000034912675 557486956 /nfs/dbraw/zinc/48/69/56/557486956.db2.gz HCZHAWHVYCPDEH-UHFFFAOYSA-N 0 0 413.521 5.913 50 0 HKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)CSc1ccccc1 ZINC000034912695 557487062 /nfs/dbraw/zinc/48/70/62/557487062.db2.gz RJYRUCHUKUOCKE-UHFFFAOYSA-N 0 0 403.507 5.049 50 0 HKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034912704 557487088 /nfs/dbraw/zinc/48/70/88/557487088.db2.gz CSHCZOZFSHEQRX-UHFFFAOYSA-N 0 0 415.537 5.473 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)nc3ccccn32)cc1 ZINC000034912733 557487021 /nfs/dbraw/zinc/48/70/21/557487021.db2.gz KIARJLABFGPFID-UHFFFAOYSA-N 0 0 415.493 5.441 50 0 HKAARN COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034912739 557487048 /nfs/dbraw/zinc/48/70/48/557487048.db2.gz DWXGJDVGIMRFQT-UHFFFAOYSA-N 0 0 412.276 5.569 50 0 HKAARN COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034912740 557486989 /nfs/dbraw/zinc/48/69/89/557486989.db2.gz VMKZTFIZMAPRIJ-UHFFFAOYSA-N 0 0 412.276 5.569 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)nc3cc(C)ccn32)cc1 ZINC000034912775 557486994 /nfs/dbraw/zinc/48/69/94/557486994.db2.gz XBXNXQQQCSJQTR-UHFFFAOYSA-N 0 0 413.521 5.913 50 0 HKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)CSc2ccccc2)cc1 ZINC000034912787 557487036 /nfs/dbraw/zinc/48/70/36/557487036.db2.gz CXMVZYXNOYZARK-UHFFFAOYSA-N 0 0 403.507 5.049 50 0 HKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000034912857 557487033 /nfs/dbraw/zinc/48/70/33/557487033.db2.gz MMVBTEVFMSHFMS-UHFFFAOYSA-N 0 0 417.512 6.080 50 0 HKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000034912869 557487024 /nfs/dbraw/zinc/48/70/24/557487024.db2.gz XOJPJKQSPAEYNO-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034912877 557487079 /nfs/dbraw/zinc/48/70/79/557487079.db2.gz AFLJCILJVWBBIS-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034912881 557487083 /nfs/dbraw/zinc/48/70/83/557487083.db2.gz CPCQPCKHTLYOOV-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000034912895 557487042 /nfs/dbraw/zinc/48/70/42/557487042.db2.gz NXAXCMHIULZXGD-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc(Br)c2)cc1 ZINC000034912909 557487013 /nfs/dbraw/zinc/48/70/13/557487013.db2.gz PWBVUOOEELIJHY-UHFFFAOYSA-N 0 0 420.310 5.633 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3ccc(C)cn32)cc1 ZINC000034912911 557486962 /nfs/dbraw/zinc/48/69/62/557486962.db2.gz FLLQPTKLQJDZKB-UHFFFAOYSA-N 0 0 413.521 6.049 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1 ZINC000034912923 557486999 /nfs/dbraw/zinc/48/69/99/557486999.db2.gz KLUMBMVYNZGTJM-UHFFFAOYSA-N 0 0 420.310 5.633 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000034912928 557487340 /nfs/dbraw/zinc/48/73/40/557487340.db2.gz LLVDRKRJWOEVAT-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000034912938 557487369 /nfs/dbraw/zinc/48/73/69/557487369.db2.gz PMTSBFDDBXEKMG-UHFFFAOYSA-N 0 0 403.457 5.572 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1cccc(Br)c1 ZINC000034912960 557487385 /nfs/dbraw/zinc/48/73/85/557487385.db2.gz KGWAYWVKCADTPA-UHFFFAOYSA-N 0 0 424.273 5.464 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn32)cc1 ZINC000034912962 557487407 /nfs/dbraw/zinc/48/74/07/557487407.db2.gz SSUHMJJQGDRDEV-UHFFFAOYSA-N 0 0 417.484 5.880 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034912965 557487419 /nfs/dbraw/zinc/48/74/19/557487419.db2.gz DGNDTGCOXXJGED-UHFFFAOYSA-N 0 0 414.267 6.008 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000034912967 557487383 /nfs/dbraw/zinc/48/73/83/557487383.db2.gz ZTJSDLNAGLRXPP-UHFFFAOYSA-N 0 0 414.267 6.008 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034912969 557487403 /nfs/dbraw/zinc/48/74/03/557487403.db2.gz XAKYFFHXSHDVBH-UHFFFAOYSA-N 0 0 403.501 5.604 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn32)cc1 ZINC000034912974 557487412 /nfs/dbraw/zinc/48/74/12/557487412.db2.gz NLLOXEUWVJYXDR-UHFFFAOYSA-N 0 0 401.485 6.044 50 0 HKAARN C[C@@H](CC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)CC(C)(C)C ZINC000034912982 557487396 /nfs/dbraw/zinc/48/73/96/557487396.db2.gz WTKOKUZYZQNARK-HNNXBMFYSA-N 0 0 417.475 6.421 50 0 HKAARN C[C@H](CC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)CC(C)(C)C ZINC000034912983 557487323 /nfs/dbraw/zinc/48/73/23/557487323.db2.gz WTKOKUZYZQNARK-OAHLLOKOSA-N 0 0 417.475 6.421 50 0 HKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000034912984 557487318 /nfs/dbraw/zinc/48/73/18/557487318.db2.gz ZIDCBCBGBHNCMN-OAHLLOKOSA-N 0 0 403.448 6.175 50 0 HKAARN CCCC[C@H](CC)C(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000034912985 557487329 /nfs/dbraw/zinc/48/73/29/557487329.db2.gz ZIDCBCBGBHNCMN-HNNXBMFYSA-N 0 0 403.448 6.175 50 0 HKAARN O=C(CCC1CCCC1)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000034913000 557487344 /nfs/dbraw/zinc/48/73/44/557487344.db2.gz OTAHVWAJPIBDFQ-UHFFFAOYSA-N 0 0 401.432 5.929 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000034913007 557487376 /nfs/dbraw/zinc/48/73/76/557487376.db2.gz YUJYTFLZGQIXKV-UHFFFAOYSA-N 0 0 413.374 5.340 50 0 HKAARN COc1cccc(C(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)nc3ccccn32)c1 ZINC000034913012 557487416 /nfs/dbraw/zinc/48/74/16/557487416.db2.gz OJROMWOSGWOIRA-UHFFFAOYSA-N 0 0 411.383 5.281 50 0 HKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)COc3ccc(Cl)cc3)n2c1 ZINC000034913016 557487423 /nfs/dbraw/zinc/48/74/23/557487423.db2.gz CDPDEGBNMWCOIS-UHFFFAOYSA-N 0 0 409.848 5.120 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3ccccc3F)nc3ccc(C)cn32)cc1 ZINC000034913017 557487373 /nfs/dbraw/zinc/48/73/73/557487373.db2.gz WATNGVALNKZNQB-UHFFFAOYSA-N 0 0 417.484 5.880 50 0 HKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)c3ccc(Cl)cc3Cl)n2c1 ZINC000034913020 557487389 /nfs/dbraw/zinc/48/73/89/557487389.db2.gz ONLQIICQAANSFL-UHFFFAOYSA-N 0 0 414.267 6.008 50 0 HKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000034913023 557487336 /nfs/dbraw/zinc/48/73/36/557487336.db2.gz PVVSEAGZJNIZCQ-UHFFFAOYSA-N 0 0 414.267 6.008 50 0 HKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)C34CC5CC(CC(C5)C3)C4)n2c1 ZINC000034913027 557487358 /nfs/dbraw/zinc/48/73/58/557487358.db2.gz UKKDDQFUWLYAFT-UHFFFAOYSA-N 0 0 403.501 5.604 50 0 HKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)c3ccc(Br)cc3)n2c1 ZINC000034913033 557487333 /nfs/dbraw/zinc/48/73/33/557487333.db2.gz IWBKYDLYBFLVOS-UHFFFAOYSA-N 0 0 424.273 5.464 50 0 HKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)COc1ccc(Cl)cc1 ZINC000034913047 558787583 /nfs/dbraw/zinc/78/75/83/558787583.db2.gz OAKOYMVPEKVLHW-UHFFFAOYSA-N 0 0 419.912 5.099 50 0 HKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)CSc1ccccc1 ZINC000034913050 558787535 /nfs/dbraw/zinc/78/75/35/558787535.db2.gz XQCYINKUOROMEK-UHFFFAOYSA-N 0 0 401.535 5.159 50 0 HKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034913056 557487393 /nfs/dbraw/zinc/48/73/93/557487393.db2.gz POAZCJHEGRXEEH-UHFFFAOYSA-N 0 0 424.331 5.987 50 0 HKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034913066 557487362 /nfs/dbraw/zinc/48/73/62/557487362.db2.gz MMNMMIPBSHMHDH-UHFFFAOYSA-N 0 0 423.438 5.699 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(C(F)(F)F)c3)n2c1 ZINC000034913120 557487427 /nfs/dbraw/zinc/48/74/27/557487427.db2.gz OBNIYOYMOIJGTR-UHFFFAOYSA-N 0 0 409.411 5.505 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(Br)c3)n2c1 ZINC000034913121 557487365 /nfs/dbraw/zinc/48/73/65/557487365.db2.gz USCKNTVZJXLKKG-UHFFFAOYSA-N 0 0 420.310 5.248 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(Cc3ccccc3)nc3ccc(C)cn32)cc1 ZINC000034913123 557487733 /nfs/dbraw/zinc/48/77/33/557487733.db2.gz QKYXPTPKTCUZDY-UHFFFAOYSA-N 0 0 413.521 5.665 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000034913132 557487694 /nfs/dbraw/zinc/48/76/94/557487694.db2.gz QJPWKKAKTXTPER-UHFFFAOYSA-N 0 0 410.304 5.793 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cc(Cl)cc(Cl)c3)n2c1 ZINC000034913134 557487704 /nfs/dbraw/zinc/48/77/04/557487704.db2.gz GTCKIYHEDQRVJF-UHFFFAOYSA-N 0 0 410.304 5.793 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3ccc(Br)cc3)n2c1 ZINC000034913141 557487701 /nfs/dbraw/zinc/48/77/01/557487701.db2.gz KXULHSDYXQGJGO-UHFFFAOYSA-N 0 0 420.310 5.248 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)cc3)n2c1 ZINC000034913146 557487713 /nfs/dbraw/zinc/48/77/13/557487713.db2.gz BJICUSQSHKGWMR-UHFFFAOYSA-N 0 0 409.411 5.505 50 0 HKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3ccccc3Br)n2c1 ZINC000034913147 557487678 /nfs/dbraw/zinc/48/76/78/557487678.db2.gz DRFCCZHKERVAJB-UHFFFAOYSA-N 0 0 420.310 5.248 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)CSc1ccccc1 ZINC000034913159 557487698 /nfs/dbraw/zinc/48/76/98/557487698.db2.gz KRUWNIYGDIECIY-UHFFFAOYSA-N 0 0 407.926 5.694 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034913168 557487741 /nfs/dbraw/zinc/48/77/41/557487741.db2.gz GGUZQKIGSFRYAX-UHFFFAOYSA-N 0 0 419.956 6.118 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)nc3cc(C)ccn32)cc1 ZINC000034913177 557487744 /nfs/dbraw/zinc/48/77/44/557487744.db2.gz IDTNWXFHULQBQI-UHFFFAOYSA-N 0 0 417.940 6.558 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)COCc1ccccc1 ZINC000034913179 557487709 /nfs/dbraw/zinc/48/77/09/557487709.db2.gz OFSMXXFSXMVVPJ-UHFFFAOYSA-N 0 0 405.885 5.118 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)CSc3ccccc3)n2c1 ZINC000034913196 557487746 /nfs/dbraw/zinc/48/77/46/557487746.db2.gz OZOXFKBTWYBAJY-UHFFFAOYSA-N 0 0 407.926 5.694 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)COCc3ccccc3)n2c1 ZINC000034913221 557487716 /nfs/dbraw/zinc/48/77/16/557487716.db2.gz OSTVOONTXURVFU-UHFFFAOYSA-N 0 0 405.885 5.118 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n2c1 ZINC000034913222 557487728 /nfs/dbraw/zinc/48/77/28/557487728.db2.gz CGCPBKANTIKERQ-VQTJNVASSA-N 0 0 401.897 5.705 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)[C@H]3C[C@H]3c3ccccc3)n2c1 ZINC000034913223 557487722 /nfs/dbraw/zinc/48/77/22/557487722.db2.gz CGCPBKANTIKERQ-PMACEKPBSA-N 0 0 401.897 5.705 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)COc1ccc(Cl)cc1 ZINC000034913273 557487749 /nfs/dbraw/zinc/48/77/49/557487749.db2.gz YNEJASXQNFNEHR-UHFFFAOYSA-N 0 0 409.848 5.120 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034913287 557487682 /nfs/dbraw/zinc/48/76/82/557487682.db2.gz MLTYUKUFDWUZAC-UHFFFAOYSA-N 0 0 403.501 5.604 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3cccc(F)c3)nc3cc(C)ccn32)cc1 ZINC000034913297 557487752 /nfs/dbraw/zinc/48/77/52/557487752.db2.gz HARMBGHLAJGCHT-UHFFFAOYSA-N 0 0 401.485 6.044 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1cccc(C(F)(F)F)c1 ZINC000034913315 557487768 /nfs/dbraw/zinc/48/77/68/557487768.db2.gz OCFVHIGXTYEXJZ-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034913338 557487686 /nfs/dbraw/zinc/48/76/86/557487686.db2.gz FIFASZMBOSYCEG-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1ccccc1Br ZINC000034913339 557487706 /nfs/dbraw/zinc/48/77/06/557487706.db2.gz VLEDRGIIXNZVKH-UHFFFAOYSA-N 0 0 420.310 5.633 50 0 HKAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)c3ccc(Cl)c(Cl)c3)n2c1 ZINC000034913358 557487725 /nfs/dbraw/zinc/48/77/25/557487725.db2.gz MDNSOGDLFFNUDW-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2c(-c3cccc(OC)c3)nc3ccccn32)cc1 ZINC000034913387 557487718 /nfs/dbraw/zinc/48/77/18/557487718.db2.gz YKJZIBCPOGDINP-UHFFFAOYSA-N 0 0 415.493 5.441 50 0 HKAARN COc1cccc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000034913398 557487945 /nfs/dbraw/zinc/48/79/45/557487945.db2.gz FCDDAIWVFMWEPN-UHFFFAOYSA-N 0 0 412.276 5.569 50 0 HKAARN COc1cccc(-c2nc3ccccn3c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034913412 557487817 /nfs/dbraw/zinc/48/78/17/557487817.db2.gz UUUDBRCFQZPRDG-UHFFFAOYSA-N 0 0 411.383 5.281 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc(Br)c2)o1 ZINC000034914882 557481727 /nfs/dbraw/zinc/48/17/27/557481727.db2.gz TXVYCHZLRVZNAV-UHFFFAOYSA-N 0 0 410.271 5.226 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000034914891 557481626 /nfs/dbraw/zinc/48/16/26/557481626.db2.gz ZVBVCIBDMKJWSV-UHFFFAOYSA-N 0 0 400.265 5.770 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC000034914892 557481616 /nfs/dbraw/zinc/48/16/16/557481616.db2.gz QQDSUCOPLLFERG-UHFFFAOYSA-N 0 0 400.265 5.770 50 0 HKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)o1 ZINC000034914899 557481694 /nfs/dbraw/zinc/48/16/94/557481694.db2.gz NCPOSOVZMGUEKJ-UHFFFAOYSA-N 0 0 410.271 5.226 50 0 HKAARN O=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21)c1cccc(C(F)(F)F)c1 ZINC000034914916 557481703 /nfs/dbraw/zinc/48/17/03/557481703.db2.gz ZOSLGWUAPGYRGM-UHFFFAOYSA-N 0 0 417.337 5.551 50 0 HKAARN O=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21)c1ccc(Cl)c(Cl)c1 ZINC000034914926 557481655 /nfs/dbraw/zinc/48/16/55/557481655.db2.gz NIDZNSSOXIAIKR-UHFFFAOYSA-N 0 0 418.230 5.839 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn32)cc1 ZINC000034914927 557481603 /nfs/dbraw/zinc/48/16/03/557481603.db2.gz FXGNFPWBEBHFAY-UHFFFAOYSA-N 0 0 405.448 5.829 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn32)cc1 ZINC000034914936 557481599 /nfs/dbraw/zinc/48/15/99/557481599.db2.gz ZMEWNISRXAMZNY-UHFFFAOYSA-N 0 0 405.448 5.874 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)CSc1ccccc1 ZINC000034914952 557481594 /nfs/dbraw/zinc/48/15/94/557481594.db2.gz YUZNQBBCQAQEEB-UHFFFAOYSA-N 0 0 409.461 5.319 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034914964 557481700 /nfs/dbraw/zinc/48/17/00/557481700.db2.gz LENXUHCCULMOJG-UHFFFAOYSA-N 0 0 421.491 5.743 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3cccc(F)c3F)nc3cc(C)ccn32)cc1 ZINC000034914973 557481670 /nfs/dbraw/zinc/48/16/70/557481670.db2.gz JCXDNWZQXKLGPM-UHFFFAOYSA-N 0 0 419.475 6.183 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034914977 557481672 /nfs/dbraw/zinc/48/16/72/557481672.db2.gz LCJYHKWLFVZJBL-ZWKOTPCHSA-N 0 0 403.432 5.330 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034914978 557481716 /nfs/dbraw/zinc/48/17/16/557481716.db2.gz LCJYHKWLFVZJBL-ROUUACIJSA-N 0 0 403.432 5.330 50 0 HKAARN CC[C@H](C(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21)c1ccccc1 ZINC000034914984 557481681 /nfs/dbraw/zinc/48/16/81/557481681.db2.gz ZTBGVWOSXCZQSS-KRWDZBQOSA-N 0 0 405.448 5.720 50 0 HKAARN CC[C@@H](C(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21)c1ccccc1 ZINC000034914985 557481720 /nfs/dbraw/zinc/48/17/20/557481720.db2.gz ZTBGVWOSXCZQSS-QGZVFWFLSA-N 0 0 405.448 5.720 50 0 HKAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)COc2ccc(Cl)cc2)c1 ZINC000034914992 557481629 /nfs/dbraw/zinc/48/16/29/557481629.db2.gz RHFATXZDDCQCNH-UHFFFAOYSA-N 0 0 405.885 5.289 50 0 HKAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000034915005 557481910 /nfs/dbraw/zinc/48/19/10/557481910.db2.gz JAIPTMZWSXELTL-UHFFFAOYSA-N 0 0 410.304 6.177 50 0 HKAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034915020 557482010 /nfs/dbraw/zinc/48/20/10/557482010.db2.gz ROQKGFNLYZPPQN-UHFFFAOYSA-N 0 0 409.411 5.889 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)c1ccc2ccccc2c1 ZINC000034915043 557481935 /nfs/dbraw/zinc/48/19/35/557481935.db2.gz MLJJOYNVDDILTR-UHFFFAOYSA-N 0 0 405.501 6.332 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)CSc1ccccc1 ZINC000034915045 557481951 /nfs/dbraw/zinc/48/19/51/557481951.db2.gz UWIDWAJOVPLRFV-UHFFFAOYSA-N 0 0 401.535 5.657 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000034915054 557481996 /nfs/dbraw/zinc/48/19/96/557481996.db2.gz LJDBVAOXMJQWOZ-UHFFFAOYSA-N 0 0 424.331 6.486 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3cc(C)cc(C)c3)nc3cc(C)ccn32)cc1 ZINC000034915063 557481947 /nfs/dbraw/zinc/48/19/47/557481947.db2.gz WWPUBXRHUNPTDG-UHFFFAOYSA-N 0 0 411.549 6.521 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)Nc2ccc(C)cc2)cc1OC ZINC000034915079 557481896 /nfs/dbraw/zinc/48/18/96/557481896.db2.gz CJCVLLNBVXQERZ-UHFFFAOYSA-N 0 0 416.481 5.279 50 0 HKAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)Nc1ccc(F)cc1F ZINC000034915086 557482003 /nfs/dbraw/zinc/48/20/03/557482003.db2.gz KYJSELUCXYXCTR-UHFFFAOYSA-N 0 0 408.408 5.241 50 0 HKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000034915092 557481913 /nfs/dbraw/zinc/48/19/13/557481913.db2.gz GGDVZUJFBHFEPD-UHFFFAOYSA-N 0 0 406.873 5.616 50 0 HKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000034915093 557481985 /nfs/dbraw/zinc/48/19/85/557481985.db2.gz FMSNDYCEJUENJG-UHFFFAOYSA-N 0 0 406.873 5.616 50 0 HKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)Nc1ccc(Cl)cc1 ZINC000034915109 557481973 /nfs/dbraw/zinc/48/19/73/557481973.db2.gz NBOUBDQDUCLHPR-UHFFFAOYSA-N 0 0 404.901 5.725 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)Nc1ccc(Cl)cc1 ZINC000034915113 557481937 /nfs/dbraw/zinc/48/19/37/557481937.db2.gz OSRAPQAAFHJVQJ-UHFFFAOYSA-N 0 0 411.292 6.261 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)Nc1ccc(F)c(F)c1 ZINC000034915114 557481900 /nfs/dbraw/zinc/48/19/00/557481900.db2.gz AOGYMVKEFXLCHH-UHFFFAOYSA-N 0 0 412.827 5.885 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)Nc1ccc(F)cc1F ZINC000034915117 557481929 /nfs/dbraw/zinc/48/19/29/557481929.db2.gz GLEAMTPEUBXZIL-UHFFFAOYSA-N 0 0 412.827 5.885 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Nc3ccc(Cl)cc3)n2c1 ZINC000034915118 557482007 /nfs/dbraw/zinc/48/20/07/557482007.db2.gz FGIJBRLEZXBVMI-UHFFFAOYSA-N 0 0 411.292 6.261 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Nc3ccc(F)c(F)c3)n2c1 ZINC000034915119 557481904 /nfs/dbraw/zinc/48/19/04/557481904.db2.gz IQIGFDWDOXFWEU-UHFFFAOYSA-N 0 0 412.827 5.885 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Nc3cccc(Cl)c3)n2c1 ZINC000034915120 557481964 /nfs/dbraw/zinc/48/19/64/557481964.db2.gz SILBXSSUFWUOOJ-UHFFFAOYSA-N 0 0 411.292 6.261 50 0 HKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Nc3ccc(C)c(C)c3)n2c1 ZINC000034915123 557481966 /nfs/dbraw/zinc/48/19/66/557481966.db2.gz TWXJCPPCACOHDK-UHFFFAOYSA-N 0 0 404.901 6.224 50 0 HKAARN O=C(Nc1c(-c2cccc(F)c2)nc2ccccn21)Nc1cccc(C(F)(F)F)c1 ZINC000034915124 557482001 /nfs/dbraw/zinc/48/20/01/557482001.db2.gz GYGKEPUOJBYJIN-UHFFFAOYSA-N 0 0 414.362 5.803 50 0 HKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034915128 557481988 /nfs/dbraw/zinc/48/19/88/557481988.db2.gz YVPQHQDWHXQBPM-UHFFFAOYSA-N 0 0 424.426 6.281 50 0 HKAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)Nc3cccc(C(F)(F)F)c3)n2c1 ZINC000034915132 557481978 /nfs/dbraw/zinc/48/19/78/557481978.db2.gz OUYUFFXVOXLUOU-UHFFFAOYSA-N 0 0 424.426 6.281 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)Nc1ccc(Cl)cc1 ZINC000034915136 557481942 /nfs/dbraw/zinc/48/19/42/557481942.db2.gz ZBPXSAQWNXNEGE-UHFFFAOYSA-N 0 0 412.827 5.885 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)Nc1ccc(F)cc1F ZINC000034915140 557481993 /nfs/dbraw/zinc/48/19/93/557481993.db2.gz NDNDRYLNIXWREN-UHFFFAOYSA-N 0 0 406.436 5.849 50 0 HKAARN Cc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1C ZINC000034915255 557482102 /nfs/dbraw/zinc/48/21/02/557482102.db2.gz BYEYUMXLCSHHBU-UHFFFAOYSA-N 0 0 401.432 5.149 50 0 HKAARN CSc1ccccc1C(=O)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 ZINC000034915381 557482135 /nfs/dbraw/zinc/48/21/35/557482135.db2.gz RHMXBHQAZZYYLW-UHFFFAOYSA-N 0 0 419.472 5.254 50 0 HKAARN CSc1cccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000034915382 557482099 /nfs/dbraw/zinc/48/20/99/557482099.db2.gz ZNNHALBVAPEXPA-UHFFFAOYSA-N 0 0 419.472 5.254 50 0 HKAARN Cc1ccc(Cl)c(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000034915413 557482159 /nfs/dbraw/zinc/48/21/59/557482159.db2.gz DOMFCKNEQXYEPE-UHFFFAOYSA-N 0 0 421.850 5.494 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000034915652 557482107 /nfs/dbraw/zinc/48/21/07/557482107.db2.gz GIJYWKLNIBYTQD-UHFFFAOYSA-N 0 0 417.512 6.169 50 0 HKAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2C)c1 ZINC000034915860 557482190 /nfs/dbraw/zinc/48/21/90/557482190.db2.gz FPIZLPPIZMZNSH-GOSISDBHSA-N 0 0 419.525 5.399 50 0 HKAARN CCC[C@H](C)C(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2C)c1 ZINC000034915861 557482154 /nfs/dbraw/zinc/48/21/54/557482154.db2.gz FPIZLPPIZMZNSH-SFHVURJKSA-N 0 0 419.525 5.399 50 0 HKAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)c1ccc(Cl)cc1Cl ZINC000034916110 557482391 /nfs/dbraw/zinc/48/23/91/557482391.db2.gz BGHOVTOGXVGBAS-UHFFFAOYSA-N 0 0 418.230 5.839 50 0 HKAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)c1cccc(C(F)(F)F)c1 ZINC000034916127 557482345 /nfs/dbraw/zinc/48/23/45/557482345.db2.gz RMEHXBVZJAIAAP-UHFFFAOYSA-N 0 0 417.337 5.551 50 0 HKAARN CCCCc1ccc(C(=O)Nc2c(-c3cc(F)ccc3F)nc3ccccn32)cc1 ZINC000034916131 557482460 /nfs/dbraw/zinc/48/24/60/557482460.db2.gz GPENHLYBZMCBCP-UHFFFAOYSA-N 0 0 405.448 5.874 50 0 HKAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)Nc1ccc(F)c(F)c1 ZINC000034916151 557482413 /nfs/dbraw/zinc/48/24/13/557482413.db2.gz LMNGLQMIBUSFAL-UHFFFAOYSA-N 0 0 400.335 5.202 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(F)ccc1F)c2NC(=O)Nc1ccc(Cl)cc1 ZINC000034916152 557482387 /nfs/dbraw/zinc/48/23/87/557482387.db2.gz SOTGLKVTQHMGJT-UHFFFAOYSA-N 0 0 412.827 5.885 50 0 HKAARN Cc1ccn2c(c1)nc(-c1cc(F)ccc1F)c2NC(=O)Nc1ccc(F)c(F)c1 ZINC000034916153 557482325 /nfs/dbraw/zinc/48/23/25/557482325.db2.gz AWOIQHIAPNKSIB-UHFFFAOYSA-N 0 0 414.362 5.510 50 0 HKAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C(C)(C)C)ccc2N(C)C)CC(C)C)c1 ZINC000034921520 557483774 /nfs/dbraw/zinc/48/37/74/557483774.db2.gz PSNHNQHPRUCLMQ-UHFFFAOYSA-N 0 0 423.601 5.344 50 0 HKAARN CCCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000034921559 557483815 /nfs/dbraw/zinc/48/38/15/557483815.db2.gz GFFFEGAGCLZKJH-IBGZPJMESA-N 0 0 423.601 5.627 50 0 HKAARN CCCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000034921560 557483809 /nfs/dbraw/zinc/48/38/09/557483809.db2.gz GFFFEGAGCLZKJH-LJQANCHMSA-N 0 0 423.601 5.627 50 0 HKAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(CCC)C(=O)c2ccc(F)cc2)c1 ZINC000034921603 557483770 /nfs/dbraw/zinc/48/37/70/557483770.db2.gz VYNJVTKAWDROSP-UHFFFAOYSA-N 0 0 413.537 5.073 50 0 HKAARN CCCN(Cc1cc(NC(=O)c2ccccc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921627 557483832 /nfs/dbraw/zinc/48/38/32/557483832.db2.gz CTAGMTQWKAQDQI-UHFFFAOYSA-N 0 0 409.574 5.180 50 0 HKAARN CCCN(Cc1cc(NC(=O)Cc2ccccc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921629 557483766 /nfs/dbraw/zinc/48/37/66/557483766.db2.gz KWQQWQMMEQWPAR-UHFFFAOYSA-N 0 0 423.601 5.109 50 0 HKAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000034922005 557484036 /nfs/dbraw/zinc/48/40/36/557484036.db2.gz CHIIMWJFFFABRG-UHFFFAOYSA-N 0 0 424.504 5.765 50 0 HKAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)cc2)c1 ZINC000034922006 557484019 /nfs/dbraw/zinc/48/40/19/557484019.db2.gz OCRZYRAGAXIKMM-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN CCCN(CCC)C(=O)c1cnc(-c2ccccc2)nc1Nc1cccc(OC)c1 ZINC000034922015 557484042 /nfs/dbraw/zinc/48/40/42/557484042.db2.gz QEPVFMLGRGTXTM-UHFFFAOYSA-N 0 0 404.514 5.158 50 0 HKAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000034922034 557484098 /nfs/dbraw/zinc/48/40/98/557484098.db2.gz DEMLLDNKTSOAST-UHFFFAOYSA-N 0 0 424.504 5.765 50 0 HKAARN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000034922105 557484290 /nfs/dbraw/zinc/48/42/90/557484290.db2.gz UDBPPWHJDFBPBI-UHFFFAOYSA-N 0 0 422.532 6.089 50 0 HKAARN CCCN(CCC)C(=O)c1cnc(-c2ccccc2)nc1N(C)c1ccc(C)cc1 ZINC000034922112 557484216 /nfs/dbraw/zinc/48/42/16/557484216.db2.gz SVCITGLHMYFMFG-UHFFFAOYSA-N 0 0 402.542 5.482 50 0 HKAARN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000034922126 557484291 /nfs/dbraw/zinc/48/42/91/557484291.db2.gz QFCKAUIAEAGJHT-UHFFFAOYSA-N 0 0 422.532 6.089 50 0 HKAARN O=C(NC1CCCCC1)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922131 557484240 /nfs/dbraw/zinc/48/42/40/557484240.db2.gz IGWINLFRJCLULZ-UHFFFAOYSA-N 0 0 416.496 6.151 50 0 HKAARN O=C(NCc1ccccc1)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922133 557484262 /nfs/dbraw/zinc/48/42/62/557484262.db2.gz YXMHZCATKZOEIC-UHFFFAOYSA-N 0 0 424.475 6.019 50 0 HKAARN Cc1ccc(NC(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)cc1 ZINC000034922134 557484255 /nfs/dbraw/zinc/48/42/55/557484255.db2.gz BPONPCABAAFHFZ-UHFFFAOYSA-N 0 0 424.475 6.649 50 0 HKAARN O=C(c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1)N1CCCCC1 ZINC000034922135 557484224 /nfs/dbraw/zinc/48/42/24/557484224.db2.gz QPWLCRYMKUMJHD-UHFFFAOYSA-N 0 0 402.469 5.715 50 0 HKAARN CCCN(CCC)C(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922138 557484281 /nfs/dbraw/zinc/48/42/81/557484281.db2.gz ZQUQJKQGHMSZCY-UHFFFAOYSA-N 0 0 418.512 6.351 50 0 HKAARN CC1CCN(C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)CC1 ZINC000034922139 557484249 /nfs/dbraw/zinc/48/42/49/557484249.db2.gz XDDLCVDLXCVFSQ-UHFFFAOYSA-N 0 0 416.496 5.961 50 0 HKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)CCc3ccccc3)no2)cc1 ZINC000034922175 557484259 /nfs/dbraw/zinc/48/42/59/557484259.db2.gz MVIIFTIWRULCDU-UHFFFAOYSA-N 0 0 416.477 5.105 50 0 HKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)CCc2ccccc2)no1 ZINC000034922223 557484231 /nfs/dbraw/zinc/48/42/31/557484231.db2.gz LYZMDQALSFWVCD-UHFFFAOYSA-N 0 0 416.477 5.105 50 0 HKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000034922353 557484228 /nfs/dbraw/zinc/48/42/28/557484228.db2.gz XNTASAACNIRQNU-UHFFFAOYSA-N 0 0 417.465 5.486 50 0 HKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)no2)cc1 ZINC000034922357 557484410 /nfs/dbraw/zinc/48/44/10/557484410.db2.gz RLVVYBVHTGPDPG-UHFFFAOYSA-N 0 0 421.428 5.317 50 0 HKAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3C)no2)cc1 ZINC000034922361 557484426 /nfs/dbraw/zinc/48/44/26/557484426.db2.gz ZHQHQJSLPGXEDH-UHFFFAOYSA-N 0 0 417.465 5.486 50 0 HKAARN COc1cccc(-c2cc(CN(C(=O)Nc3ccc(F)cc3F)C(C)C)no2)c1 ZINC000034922369 571316683 /nfs/dbraw/zinc/31/66/83/571316683.db2.gz DGCOYAYMAWFZJG-UHFFFAOYSA-N 0 0 401.413 5.071 50 0 HKAARN CCOc1ccc(NC(=O)N(Cc2cc(-c3cccc(OC)c3)on2)C(C)C)cc1 ZINC000034922371 557484447 /nfs/dbraw/zinc/48/44/47/557484447.db2.gz IZELLGVXBQAXTP-UHFFFAOYSA-N 0 0 409.486 5.191 50 0 HKAARN COc1cccc(-c2cc(CN(C(=O)Nc3ccc(F)c(F)c3)C(C)C)no2)c1 ZINC000034922376 558787802 /nfs/dbraw/zinc/78/78/02/558787802.db2.gz SYKYLBWYTXKDLX-UHFFFAOYSA-N 0 0 401.413 5.071 50 0 HKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2cccc(C)c2)no1 ZINC000034922381 557484478 /nfs/dbraw/zinc/48/44/78/557484478.db2.gz GYXOTHCCOOLOEJ-UHFFFAOYSA-N 0 0 417.465 5.486 50 0 HKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)no1 ZINC000034922382 557484362 /nfs/dbraw/zinc/48/43/62/557484362.db2.gz NQZUAYAEDJLZOR-UHFFFAOYSA-N 0 0 417.465 5.486 50 0 HKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccccc2F)no1 ZINC000034922386 557484473 /nfs/dbraw/zinc/48/44/73/557484473.db2.gz GQQJNBKQGLEFAE-UHFFFAOYSA-N 0 0 421.428 5.317 50 0 HKAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Nc2ccccc2C)no1 ZINC000034922394 557484440 /nfs/dbraw/zinc/48/44/40/557484440.db2.gz LWZCIFJXCORQRD-UHFFFAOYSA-N 0 0 417.465 5.486 50 0 HKAARN Cc1cccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924099 557484721 /nfs/dbraw/zinc/48/47/21/557484721.db2.gz YCMKRIYPPUSYFA-DNQXCXABSA-N 0 0 414.480 5.216 50 0 HKAARN Cc1cccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924100 557484708 /nfs/dbraw/zinc/48/47/08/557484708.db2.gz YCMKRIYPPUSYFA-RPWUZVMVSA-N 0 0 414.480 5.216 50 0 HKAARN Cc1cccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924101 557484666 /nfs/dbraw/zinc/48/46/66/557484666.db2.gz YCMKRIYPPUSYFA-BJKOFHAPSA-N 0 0 414.480 5.216 50 0 HKAARN Cc1cccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924102 557484671 /nfs/dbraw/zinc/48/46/71/557484671.db2.gz YCMKRIYPPUSYFA-ZEQRLZLVSA-N 0 0 414.480 5.216 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1 ZINC000034924103 557484728 /nfs/dbraw/zinc/48/47/28/557484728.db2.gz FQYQFXXTSKULDV-JWQCQUIFSA-N 0 0 410.517 5.385 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(C)c2)cc1 ZINC000034924104 557484637 /nfs/dbraw/zinc/48/46/37/557484637.db2.gz FQYQFXXTSKULDV-LOSJGSFVSA-N 0 0 410.517 5.385 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1 ZINC000034924105 557484714 /nfs/dbraw/zinc/48/47/14/557484714.db2.gz FQYQFXXTSKULDV-RPBOFIJWSA-N 0 0 410.517 5.385 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(C)c2)cc1 ZINC000034924106 557484641 /nfs/dbraw/zinc/48/46/41/557484641.db2.gz FQYQFXXTSKULDV-DQEYMECFSA-N 0 0 410.517 5.385 50 0 HKAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1 ZINC000034927350 557485213 /nfs/dbraw/zinc/48/52/13/557485213.db2.gz LHRYRJWMBMPWBF-UHFFFAOYSA-N 0 0 422.594 5.005 50 0 HKAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C(C)C)cc2)CC3)c1 ZINC000034927511 557485424 /nfs/dbraw/zinc/48/54/24/557485424.db2.gz YCGDSJWIKONQOD-UHFFFAOYSA-N 0 0 423.582 5.222 50 0 HKAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C(C)C)cc2)CC3)cc1 ZINC000034927547 557485390 /nfs/dbraw/zinc/48/53/90/557485390.db2.gz LVINYNGUJTWUIS-UHFFFAOYSA-N 0 0 423.582 5.222 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC(C)C)[C@H]1c1cccc(Cl)c1 ZINC000034927624 557485624 /nfs/dbraw/zinc/48/56/24/557485624.db2.gz FMZIZEZZSOAFLA-FGZHOGPDSA-N 0 0 412.961 5.193 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000034927625 557485722 /nfs/dbraw/zinc/48/57/22/557485722.db2.gz FMZIZEZZSOAFLA-YADHBBJMSA-N 0 0 412.961 5.193 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC(C)C)[C@H]1c1cccc(Cl)c1 ZINC000034927626 557485738 /nfs/dbraw/zinc/48/57/38/557485738.db2.gz FMZIZEZZSOAFLA-FCHUYYIVSA-N 0 0 412.961 5.193 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000034927627 557485627 /nfs/dbraw/zinc/48/56/27/557485627.db2.gz FMZIZEZZSOAFLA-VXKWHMMOSA-N 0 0 412.961 5.193 50 0 HKAARN CC(C)N(c1nc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2s1)C(C)C ZINC000034928323 557485960 /nfs/dbraw/zinc/48/59/60/557485960.db2.gz WEBIEXIFAOOHJK-UHFFFAOYSA-N 0 0 415.946 5.185 50 0 HKAARN CC(C)N(c1nc(=O)c2cc(NC(=O)CCC3CCCC3)ccc2s1)C(C)C ZINC000034928327 557485940 /nfs/dbraw/zinc/48/59/40/557485940.db2.gz ZDWZMUFCXBWDBQ-UHFFFAOYSA-N 0 0 401.576 5.189 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000034928464 557485932 /nfs/dbraw/zinc/48/59/32/557485932.db2.gz SUKVOCYERQWHGB-UHFFFAOYSA-N 0 0 413.443 5.660 50 0 HKAARN O=C(Nc1cccc(Br)c1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000034928465 557486037 /nfs/dbraw/zinc/48/60/37/557486037.db2.gz FVZIHDLGJIYDCI-UHFFFAOYSA-N 0 0 424.342 5.404 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000034928467 568833233 /nfs/dbraw/zinc/83/32/33/568833233.db2.gz KLDBYAGTYMBLQZ-UHFFFAOYSA-N 0 0 413.443 5.660 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCc2c(c3cc(F)ccc3n2C)C1 ZINC000034928507 568833235 /nfs/dbraw/zinc/83/32/35/568833235.db2.gz FSULIVVEMVIBSJ-UHFFFAOYSA-N 0 0 407.533 6.154 50 0 HKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCc3c(c4ccccc4n3CC3CC3)C2)cc1 ZINC000034928526 568833201 /nfs/dbraw/zinc/83/32/01/568833201.db2.gz UXDZLYJMOBKWLL-UHFFFAOYSA-N 0 0 422.594 5.096 50 0 HKAARN CN1c2ccccc2C(C)(C)C1=C[P@](=O)(Nc1ccc(F)cc1)c1ccccc1 ZINC000034982648 569047954 /nfs/dbraw/zinc/04/79/54/569047954.db2.gz HNMNOSZDBVYWHN-LPEFSEJTSA-N 0 0 406.441 6.160 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000034997164 558787982 /nfs/dbraw/zinc/78/79/82/558787982.db2.gz RSAMVTVHHLCMEM-UHFFFAOYSA-N 0 0 416.507 5.177 50 0 HKAARN COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000034997331 558787993 /nfs/dbraw/zinc/78/79/93/558787993.db2.gz PUOAETJYKQITMO-LANLRWRYSA-N 0 0 419.500 5.095 50 0 investigational HKAARN Cn1c2ccccc2c2ccc(/C=C\[C@]34NC(=O)CCN3c3ccccc3C4(C)C)cc21 ZINC000035058504 568976171 /nfs/dbraw/zinc/97/61/71/568976171.db2.gz OYNKVBUPJLYCAH-SFLQITBISA-N 0 0 421.544 5.359 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2Cl)sc2c1CCCCCC2 ZINC000035060845 568982804 /nfs/dbraw/zinc/98/28/04/568982804.db2.gz KNEUEEUACNKIHI-YPKPFQOOSA-N 0 0 417.958 5.889 50 0 HKAARN Fc1ccc(Nc2nc(-c3ccc(-c4ccc(Br)cc4)o3)cs2)cc1 ZINC000035079894 568990357 /nfs/dbraw/zinc/99/03/57/568990357.db2.gz IAMVWJGLLPSBLL-UHFFFAOYSA-N 0 0 415.287 6.715 50 0 HKAARN COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000035105641 568992072 /nfs/dbraw/zinc/99/20/72/568992072.db2.gz GOWTWRWLJRTLTD-UPVQGACJSA-N 0 0 400.478 5.293 50 0 HKAARN COc1ccc([C@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc12 ZINC000035105642 568991999 /nfs/dbraw/zinc/99/19/99/568991999.db2.gz GOWTWRWLJRTLTD-VWNXMTODSA-N 0 0 400.478 5.293 50 0 HKAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000035131486 568996952 /nfs/dbraw/zinc/99/69/52/568996952.db2.gz OOFDYUWIWJKAAQ-LWMSPQMPSA-N 0 0 403.931 5.355 50 0 HKAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000035131487 568996969 /nfs/dbraw/zinc/99/69/69/568996969.db2.gz OOFDYUWIWJKAAQ-YLBKJLTLSA-N 0 0 403.931 5.355 50 0 HKAARN Clc1cccc(Cl)c1CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000035142509 568999919 /nfs/dbraw/zinc/99/99/19/568999919.db2.gz AJDBUKQQNMPULD-UHFFFAOYSA-N 0 0 416.127 6.098 50 0 HKAARN Cc1ccccc1-n1c(/C=C\c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O ZINC000035146698 569000338 /nfs/dbraw/zinc/00/03/38/569000338.db2.gz QUWPQJQBSUKTQU-QBFSEMIESA-N 0 0 407.300 6.171 50 0 HKAARN Clc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)c(Cl)c1 ZINC000035147937 569000348 /nfs/dbraw/zinc/00/03/48/569000348.db2.gz WOWPPBOKRHYZLT-UHFFFAOYSA-N 0 0 418.374 6.595 50 0 HKAARN COc1ccc(Cc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 ZINC000035167722 569001610 /nfs/dbraw/zinc/00/16/10/569001610.db2.gz CBNIDLZLPTVCHJ-UHFFFAOYSA-N 0 0 406.913 5.758 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2)sc2c1CCCCCC2 ZINC000035168518 569001469 /nfs/dbraw/zinc/00/14/69/569001469.db2.gz MCDCRDLJEMELGS-RAXLEYEMSA-N 0 0 403.931 5.499 50 0 HKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C ZINC000035170880 569002066 /nfs/dbraw/zinc/00/20/66/569002066.db2.gz FXQONSCCSJGTTK-KRWDZBQOSA-N 0 0 409.917 5.487 50 0 HKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C ZINC000035170881 569001999 /nfs/dbraw/zinc/00/19/99/569001999.db2.gz FXQONSCCSJGTTK-QGZVFWFLSA-N 0 0 409.917 5.487 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000035170963 569002150 /nfs/dbraw/zinc/00/21/50/569002150.db2.gz XVDJJCDHLFJATN-GOSISDBHSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000035170965 569002126 /nfs/dbraw/zinc/00/21/26/569002126.db2.gz XVDJJCDHLFJATN-SFHVURJKSA-N 0 0 407.901 5.068 50 0 HKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(C(C)C)cc2)c1 ZINC000035170967 569002085 /nfs/dbraw/zinc/00/20/85/569002085.db2.gz HIFNSLUSJJQACF-OAQYLSRUSA-N 0 0 401.510 5.175 50 0 HKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(C(C)C)cc2)c1 ZINC000035170970 569002178 /nfs/dbraw/zinc/00/21/78/569002178.db2.gz HIFNSLUSJJQACF-NRFANRHFSA-N 0 0 401.510 5.175 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000035171075 569002200 /nfs/dbraw/zinc/00/22/00/569002200.db2.gz ZMBJLVCNZAJGMG-QGZVFWFLSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000035171077 569002196 /nfs/dbraw/zinc/00/21/96/569002196.db2.gz ZMBJLVCNZAJGMG-KRWDZBQOSA-N 0 0 407.901 5.068 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000035171381 569002112 /nfs/dbraw/zinc/00/21/12/569002112.db2.gz PXKCYNPHJKBIBE-UHFFFAOYSA-N 0 0 421.447 6.835 50 0 HKAARN O[C@@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccco1 ZINC000035178124 569357967 /nfs/dbraw/zinc/35/79/67/569357967.db2.gz QVVJWTUOKPPMEO-SANMLTNESA-N 0 0 406.485 5.398 50 0 HKAARN O[C@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccco1 ZINC000035178127 569357978 /nfs/dbraw/zinc/35/79/78/569357978.db2.gz QVVJWTUOKPPMEO-AREMUKBSSA-N 0 0 406.485 5.398 50 0 HKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4cccc(F)c4)cc3)C2=O)c1 ZINC000035180829 558788651 /nfs/dbraw/zinc/78/86/51/558788651.db2.gz FTMATZVKZVXCKS-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O ZINC000035180880 558788956 /nfs/dbraw/zinc/78/89/56/558788956.db2.gz IIGVSWYDJMBQCQ-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(F)c4)c3)C2=O)cc1 ZINC000035180917 558788983 /nfs/dbraw/zinc/78/89/83/558788983.db2.gz CXFMZAYQDRZZIR-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4ccccc4F)c3)C2=O)c1 ZINC000035180951 558788943 /nfs/dbraw/zinc/78/89/43/558788943.db2.gz LYZNJKKXVMFSMC-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(F)c4)c3)C2=O)c1 ZINC000035180953 558788999 /nfs/dbraw/zinc/78/89/99/558788999.db2.gz IVERFQUPKZFDIM-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035180993 558788940 /nfs/dbraw/zinc/78/89/40/558788940.db2.gz YYTZDJAJKMQEKA-UHFFFAOYSA-N 0 0 421.447 5.049 50 0 HKAARN O=C(Nc1ccccc1F)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181032 558788924 /nfs/dbraw/zinc/78/89/24/558788924.db2.gz UOERYWWLTZSOKS-UHFFFAOYSA-N 0 0 421.447 5.049 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181034 132800985 /nfs/dbraw/zinc/80/09/85/132800985.db2.gz KFCMFYVEXWJZCZ-UHFFFAOYSA-N 0 0 421.447 5.049 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000035181073 558788938 /nfs/dbraw/zinc/78/89/38/558788938.db2.gz XESQABFPFWQZJU-UHFFFAOYSA-N 0 0 421.447 5.049 50 0 HKAARN O[C@@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccnc1 ZINC000035181238 569357980 /nfs/dbraw/zinc/35/79/80/569357980.db2.gz VIEMGGHGQMQTSM-HHHXNRCGSA-N 0 0 417.512 5.200 50 0 HKAARN O[C@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccnc1 ZINC000035181240 569357955 /nfs/dbraw/zinc/35/79/55/569357955.db2.gz VIEMGGHGQMQTSM-MHZLTWQESA-N 0 0 417.512 5.200 50 0 HKAARN O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CN1CCCCC1 ZINC000035189560 569005078 /nfs/dbraw/zinc/00/50/78/569005078.db2.gz LLWBDECVKWZHCB-PDGQHHTCSA-N 0 0 402.903 5.080 50 0 HKAARN CCOc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc(Cl)c1OCC ZINC000035225677 569014193 /nfs/dbraw/zinc/01/41/93/569014193.db2.gz MFPVTNGXCZRKNJ-YVLHZVERSA-N 0 0 402.853 5.083 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000035228478 569014198 /nfs/dbraw/zinc/01/41/98/569014198.db2.gz YQBPYQLTEKJLMZ-RBJHHQRMSA-N 0 0 417.596 5.789 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000035228480 569014203 /nfs/dbraw/zinc/01/42/03/569014203.db2.gz YQBPYQLTEKJLMZ-FPAJZGIOSA-N 0 0 417.596 5.789 50 0 HKAARN CC[C@@H]1CCCCN1/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000035228852 571316649 /nfs/dbraw/zinc/31/66/49/571316649.db2.gz ADSVBYDUTAPQDH-OPCAMPFDSA-N 0 0 422.476 5.100 50 0 HKAARN CC[C@H]1CCCCN1/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000035228853 571316669 /nfs/dbraw/zinc/31/66/69/571316669.db2.gz ADSVBYDUTAPQDH-WIOAZZGGSA-N 0 0 422.476 5.100 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C\c2c(F)cccc2Cl)sc2c1CCCCCC2 ZINC000035238114 569014331 /nfs/dbraw/zinc/01/43/31/569014331.db2.gz MIIKQDYFDXTNLQ-QXMHVHEDSA-N 0 0 421.921 5.638 50 0 HKAARN Cc1ccc2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)c(N3CCCCC3)nc2c1 ZINC000035239957 132227941 /nfs/dbraw/zinc/22/79/41/132227941.db2.gz YJWWVLUXCSCJPP-MOSHPQCFSA-N 0 0 403.913 5.680 50 0 HKAARN Clc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1Cl ZINC000035253406 569048001 /nfs/dbraw/zinc/04/80/01/569048001.db2.gz KHNAVGGUFQJTDB-OWBHPGMISA-N 0 0 422.340 7.068 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1c2ccccc2-c2ccccc21 ZINC000035260590 569012735 /nfs/dbraw/zinc/01/27/35/569012735.db2.gz SAYWYHLPBWWRMJ-UHFFFAOYSA-N 0 0 405.910 5.195 50 0 HKAARN CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000035287590 558789411 /nfs/dbraw/zinc/78/94/11/558789411.db2.gz MWYMXOVWDWBALF-MRXNPFEDSA-N 0 0 424.766 5.954 50 0 HKAARN CC(C)(C)OC(=O)NC[C@H](Cc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000035287591 558789386 /nfs/dbraw/zinc/78/93/86/558789386.db2.gz MWYMXOVWDWBALF-INIZCTEOSA-N 0 0 424.766 5.954 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000035314578 558790090 /nfs/dbraw/zinc/79/00/90/558790090.db2.gz JUUOLDXKOAQXNB-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000035314581 558790034 /nfs/dbraw/zinc/79/00/34/558790034.db2.gz JUUOLDXKOAQXNB-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN COc1cccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCC3)c1 ZINC000035323931 557513950 /nfs/dbraw/zinc/51/39/50/557513950.db2.gz XAOBQVAJSXWZSH-UHFFFAOYSA-N 0 0 403.913 5.994 50 0 HKAARN Clc1ccc(-c2cnn3c2nc(-c2ccc(Cl)cc2)c2c3CCCCC2)cc1 ZINC000035323940 557513912 /nfs/dbraw/zinc/51/39/12/557513912.db2.gz DDFRKOJPLPTMAG-UHFFFAOYSA-N 0 0 408.332 6.639 50 0 HKAARN CC(C)(C)[C@@H]1CCc2c(c(-c3ccc(Cl)cc3)nc3c(-c4ccccc4)cnn32)C1 ZINC000035323943 557513962 /nfs/dbraw/zinc/51/39/62/557513962.db2.gz KHCFYZOYZOCMCJ-LJQANCHMSA-N 0 0 415.968 6.868 50 0 HKAARN CC(C)(C)[C@H]1CCc2c(c(-c3ccc(Cl)cc3)nc3c(-c4ccccc4)cnn32)C1 ZINC000035323946 557513923 /nfs/dbraw/zinc/51/39/23/557513923.db2.gz KHCFYZOYZOCMCJ-IBGZPJMESA-N 0 0 415.968 6.868 50 0 HKAARN COc1ccccc1-c1nc2c(-c3ccccc3)cnn2c2c1C[C@H](C(C)(C)C)CC2 ZINC000035323949 557513968 /nfs/dbraw/zinc/51/39/68/557513968.db2.gz URRDEAVCLAFHQD-LJQANCHMSA-N 0 0 411.549 6.223 50 0 HKAARN COc1ccccc1-c1nc2c(-c3ccccc3)cnn2c2c1C[C@@H](C(C)(C)C)CC2 ZINC000035323952 557514009 /nfs/dbraw/zinc/51/40/09/557514009.db2.gz URRDEAVCLAFHQD-IBGZPJMESA-N 0 0 411.549 6.223 50 0 HKAARN Clc1ccc(-c2cnn3c2nc(-c2ccc(Cl)cc2)c2c3CCCCCC2)cc1 ZINC000035324304 569032012 /nfs/dbraw/zinc/03/20/12/569032012.db2.gz UEOCKRXWBBUXLO-UHFFFAOYSA-N 0 0 422.359 7.029 50 0 HKAARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1 ZINC000035324307 569032027 /nfs/dbraw/zinc/03/20/27/569032027.db2.gz GPZCFAJHPHLBAW-UHFFFAOYSA-N 0 0 417.940 6.384 50 0 HKAARN CC(C)c1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCC3)cc1 ZINC000035324679 557514517 /nfs/dbraw/zinc/51/45/17/557514517.db2.gz HGRWUEATAPTDEI-UHFFFAOYSA-N 0 0 401.941 6.719 50 0 HKAARN CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035324682 569032320 /nfs/dbraw/zinc/03/23/20/569032320.db2.gz DSXOAHWWWYWLDO-OAHLLOKOSA-N 0 0 405.904 6.371 50 0 HKAARN CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035324685 569032312 /nfs/dbraw/zinc/03/23/12/569032312.db2.gz DSXOAHWWWYWLDO-HNNXBMFYSA-N 0 0 405.904 6.371 50 0 HKAARN COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc(OC)c1OC ZINC000035324716 558790262 /nfs/dbraw/zinc/79/02/62/558790262.db2.gz BALGXDDTYADEIU-UHFFFAOYSA-N 0 0 401.846 5.187 50 0 HKAARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)c(C)nn3c3c2CCCC3)cc1 ZINC000035324855 557514529 /nfs/dbraw/zinc/51/45/29/557514529.db2.gz VTIYSTGIYNNJLT-UHFFFAOYSA-N 0 0 403.913 5.913 50 0 HKAARN COc1cccc(NC(=O)c2sc3nc(-c4ccccc4Cl)nc(C)c3c2N)c1 ZINC000035325022 557514512 /nfs/dbraw/zinc/51/45/12/557514512.db2.gz HDXMSKOJBZHEBU-UHFFFAOYSA-N 0 0 424.913 5.163 50 0 HKAARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2C[C@H](C)CC3)cc1 ZINC000035325595 569032756 /nfs/dbraw/zinc/03/27/56/569032756.db2.gz XQISGFAUEYPIAV-OAHLLOKOSA-N 0 0 403.913 5.850 50 0 HKAARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2C[C@@H](C)CC3)cc1 ZINC000035325600 569032726 /nfs/dbraw/zinc/03/27/26/569032726.db2.gz XQISGFAUEYPIAV-HNNXBMFYSA-N 0 0 403.913 5.850 50 0 HKAARN CC[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325606 569032739 /nfs/dbraw/zinc/03/27/39/569032739.db2.gz HHIJLQADIRCSDD-OAHLLOKOSA-N 0 0 405.904 6.371 50 0 HKAARN CC[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325611 569032721 /nfs/dbraw/zinc/03/27/21/569032721.db2.gz HHIJLQADIRCSDD-HNNXBMFYSA-N 0 0 405.904 6.371 50 0 HKAARN CC[C@@H]1CCc2c(c(-c3cccc(O)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325627 569032752 /nfs/dbraw/zinc/03/27/52/569032752.db2.gz LTEKHBYGQXFXLK-OAHLLOKOSA-N 0 0 403.913 5.937 50 0 HKAARN CC[C@H]1CCc2c(c(-c3cccc(O)c3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000035325631 569032777 /nfs/dbraw/zinc/03/27/77/569032777.db2.gz LTEKHBYGQXFXLK-HNNXBMFYSA-N 0 0 403.913 5.937 50 0 HKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc21 ZINC000035325632 569032808 /nfs/dbraw/zinc/03/28/08/569032808.db2.gz UXZPYJDQGICPRZ-QYXIYQDXSA-N 0 0 402.582 5.872 50 0 HKAARN CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)c(C)nn32)C1 ZINC000035325637 569032816 /nfs/dbraw/zinc/03/28/16/569032816.db2.gz FKYQAJWILBBXQX-MRXNPFEDSA-N 0 0 419.931 6.679 50 0 HKAARN CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)c(C)nn32)C1 ZINC000035325642 569032790 /nfs/dbraw/zinc/03/27/90/569032790.db2.gz FKYQAJWILBBXQX-INIZCTEOSA-N 0 0 419.931 6.679 50 0 HKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc21 ZINC000035325647 569032782 /nfs/dbraw/zinc/03/27/82/569032782.db2.gz UXZPYJDQGICPRZ-FZOAFFARSA-N 0 0 402.582 5.872 50 0 HKAARN COc1ccc(C(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)cc1 ZINC000035325875 569032759 /nfs/dbraw/zinc/03/27/59/569032759.db2.gz HGYAMDRCBZLULK-UHFFFAOYSA-N 0 0 406.429 5.016 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4cccnc4)c12)CCCC3 ZINC000035325940 569032748 /nfs/dbraw/zinc/03/27/48/569032748.db2.gz RMGCVIOMGYEWHE-UHFFFAOYSA-N 0 0 419.937 5.704 50 0 HKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)cc1 ZINC000035325945 569032713 /nfs/dbraw/zinc/03/27/13/569032713.db2.gz MHNPZMODOOAXHH-UHFFFAOYSA-N 0 0 415.518 5.059 50 0 HKAARN O=c1[nH]c2c(sc3nc(-c4cccs4)cc(-c4ccc(Cl)cc4)c32)c(=O)[nH]1 ZINC000035325983 558790238 /nfs/dbraw/zinc/79/02/38/558790238.db2.gz KYSREBNPCYCHKW-UHFFFAOYSA-N 0 0 411.895 5.287 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccncc4)c12)CCCC3 ZINC000035326018 569032716 /nfs/dbraw/zinc/03/27/16/569032716.db2.gz CHJUMVWVKDFNHA-UHFFFAOYSA-N 0 0 419.937 5.704 50 0 HKAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1 ZINC000035326337 569032864 /nfs/dbraw/zinc/03/28/64/569032864.db2.gz IVVADQLORSGXIQ-UHFFFAOYSA-N 0 0 415.518 5.059 50 0 HKAARN COc1ccccc1-c1c(=O)[nH]c2cc3c(cc2c1-c1ccc(Cl)cc1)OCCO3 ZINC000035327067 569032932 /nfs/dbraw/zinc/03/29/32/569032932.db2.gz UFFSEIJALKUBMT-UHFFFAOYSA-N 0 0 419.864 5.295 50 0 HKAARN CCNc1nc2c(s1)[C@H](c1cccc(OCc3ccccc3Cl)c1)CC(=O)N2 ZINC000035327350 569032884 /nfs/dbraw/zinc/03/28/84/569032884.db2.gz HUPFOYPGLOSXPB-INIZCTEOSA-N 0 0 413.930 5.281 50 0 HKAARN CCNc1nc2c(s1)[C@@H](c1cccc(OCc3ccccc3Cl)c1)CC(=O)N2 ZINC000035327355 569032914 /nfs/dbraw/zinc/03/29/14/569032914.db2.gz HUPFOYPGLOSXPB-MRXNPFEDSA-N 0 0 413.930 5.281 50 0 HKAARN CC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000035349196 569033418 /nfs/dbraw/zinc/03/34/18/569033418.db2.gz ZMSFUQNFPBSXPY-PEYKTXOXSA-N 0 0 423.988 6.249 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@@H]32)cc(Br)c1OC ZINC000035360451 569052285 /nfs/dbraw/zinc/05/22/85/569052285.db2.gz JYKLTNKVDBRJQY-VMDGZTHMSA-N 0 0 404.304 5.019 50 0 HKAARN COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCC[C@@H]32)cc(Br)c1OC ZINC000035360453 569052286 /nfs/dbraw/zinc/05/22/86/569052286.db2.gz JYKLTNKVDBRJQY-ZNZDAUKMSA-N 0 0 404.304 5.019 50 0 HKAARN C1=C\c2ccc(cc2)CSCc2ccc(c3ccccc23)CSCc2ccc/1cc2 ZINC000035362918 558790752 /nfs/dbraw/zinc/79/07/52/558790752.db2.gz HQZFJRXGQLRMSL-WAYWQWQTSA-N 0 0 424.634 8.190 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3cccc(Cl)c3)c[nH]c21 ZINC000035371512 557524827 /nfs/dbraw/zinc/52/48/27/557524827.db2.gz SEXGCAQJTXWIFR-NRFANRHFSA-N 0 0 406.913 5.815 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3cccc(Cl)c3)c[nH]c21 ZINC000035371513 557524904 /nfs/dbraw/zinc/52/49/04/557524904.db2.gz SEXGCAQJTXWIFR-OAQYLSRUSA-N 0 0 406.913 5.815 50 0 HKAARN Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn32)cc1Br ZINC000035373573 558790657 /nfs/dbraw/zinc/79/06/57/558790657.db2.gz YOJLNFQBVHHEGZ-UHFFFAOYSA-N 0 0 418.298 5.692 50 0 HKAARN Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn32)c(Br)c1 ZINC000035373575 558790594 /nfs/dbraw/zinc/79/05/94/558790594.db2.gz RZWWAGJSHPPLDY-UHFFFAOYSA-N 0 0 418.298 5.692 50 0 HKAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCc1c[nH]c2ccccc12 ZINC000035373597 569034200 /nfs/dbraw/zinc/03/42/00/569034200.db2.gz QXHCQBPWPKWZPN-UHFFFAOYSA-N 0 0 417.509 5.349 50 0 HKAARN CCOc1ccc2nc(NC(=O)c3cc4ccc5ccc(C)nc5c4[nH]3)sc2c1 ZINC000035373878 569034252 /nfs/dbraw/zinc/03/42/52/569034252.db2.gz DFXLSNDWJJXFHA-UHFFFAOYSA-N 0 0 402.479 5.285 50 0 HKAARN Cc1ccccc1-c1noc(N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1 ZINC000035374994 569033951 /nfs/dbraw/zinc/03/39/51/569033951.db2.gz POWIXUAPFNARSS-UHFFFAOYSA-N 0 0 404.514 5.024 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc2ccccc21 ZINC000035375252 569033982 /nfs/dbraw/zinc/03/39/82/569033982.db2.gz XVGAFJYXVVITNC-UHFFFAOYSA-N 0 0 402.479 5.122 50 0 HKAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 ZINC000035375307 569033952 /nfs/dbraw/zinc/03/39/52/569033952.db2.gz BAAMDMXSJGTWEO-UHFFFAOYSA-N 0 0 421.309 5.275 50 0 HKAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc32)cc1 ZINC000035377514 132801393 /nfs/dbraw/zinc/80/13/93/132801393.db2.gz JFYUIYJVVQCZAQ-UHFFFAOYSA-N 0 0 414.505 5.296 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 ZINC000035377612 569034445 /nfs/dbraw/zinc/03/44/45/569034445.db2.gz CAJLTQWZYMULRF-UHFFFAOYSA-N 0 0 418.468 5.127 50 0 HKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000035397039 569034794 /nfs/dbraw/zinc/03/47/94/569034794.db2.gz MKFCUQYGRUSSOZ-UHFFFAOYSA-N 0 0 414.896 5.735 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)nn2)cc1 ZINC000035398102 569035059 /nfs/dbraw/zinc/03/50/59/569035059.db2.gz GDMOMQKPHMODJT-QFIPXVFZSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)nn2)cc1 ZINC000035398103 569035048 /nfs/dbraw/zinc/03/50/48/569035048.db2.gz GDMOMQKPHMODJT-JOCHJYFZSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nn2)cc1 ZINC000035398138 569035069 /nfs/dbraw/zinc/03/50/69/569035069.db2.gz DLEULYPBJDIFOK-KRWDZBQOSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nn2)cc1 ZINC000035398139 132801540 /nfs/dbraw/zinc/80/15/40/132801540.db2.gz DLEULYPBJDIFOK-QGZVFWFLSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cccc5ccccc54)C3)nn2)cc1 ZINC000035398164 569035022 /nfs/dbraw/zinc/03/50/22/569035022.db2.gz MNYMETAFOKQBIU-QFIPXVFZSA-N 0 0 422.532 5.460 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc5ccccc54)C3)nn2)cc1 ZINC000035398165 569035034 /nfs/dbraw/zinc/03/50/34/569035034.db2.gz MNYMETAFOKQBIU-JOCHJYFZSA-N 0 0 422.532 5.460 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)nn2)c1 ZINC000035398242 569035089 /nfs/dbraw/zinc/03/50/89/569035089.db2.gz LUOMHSISDNGUPM-IBGZPJMESA-N 0 0 420.944 5.269 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)nn2)c1 ZINC000035398243 569035082 /nfs/dbraw/zinc/03/50/82/569035082.db2.gz LUOMHSISDNGUPM-LJQANCHMSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)nn2)c1 ZINC000035398252 569035108 /nfs/dbraw/zinc/03/51/08/569035108.db2.gz AOJTYIVZXYRQNI-QFIPXVFZSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)nn2)c1 ZINC000035398253 569035092 /nfs/dbraw/zinc/03/50/92/569035092.db2.gz AOJTYIVZXYRQNI-JOCHJYFZSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nn2)c1 ZINC000035398280 569035127 /nfs/dbraw/zinc/03/51/27/569035127.db2.gz HYBQRHUUADPPGF-KRWDZBQOSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nn2)c1 ZINC000035398281 132801605 /nfs/dbraw/zinc/80/16/05/132801605.db2.gz HYBQRHUUADPPGF-QGZVFWFLSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nn2)c1 ZINC000035398390 132801676 /nfs/dbraw/zinc/80/16/76/132801676.db2.gz WQEDSYANSWUWBR-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)nn2)c1 ZINC000035398397 569035151 /nfs/dbraw/zinc/03/51/51/569035151.db2.gz YKHDZZSVIKDBRK-UHFFFAOYSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nn2)c1 ZINC000035398408 569035179 /nfs/dbraw/zinc/03/51/79/569035179.db2.gz XGDRNXBQLFFYNI-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)nn2)cc1 ZINC000035398495 569035176 /nfs/dbraw/zinc/03/51/76/569035176.db2.gz QTBZYRJOFRYZMD-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)nn2)cc1 ZINC000035398501 132801701 /nfs/dbraw/zinc/80/17/01/132801701.db2.gz ZLSQYAIWTRGVGR-UHFFFAOYSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nn2)cc1 ZINC000035398514 569035211 /nfs/dbraw/zinc/03/52/11/569035211.db2.gz ARCIWFOROURFCL-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1Cl ZINC000035398600 569035189 /nfs/dbraw/zinc/03/51/89/569035189.db2.gz ZUYMJTLAFJNNAJ-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398607 569035224 /nfs/dbraw/zinc/03/52/24/569035224.db2.gz VMMFQIAFPWESRR-UHFFFAOYSA-N 0 0 418.516 5.261 50 0 HKAARN O=C(c1ccccc1C(F)(F)F)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399435 569035257 /nfs/dbraw/zinc/03/52/57/569035257.db2.gz YUFDGSJSDUQPQS-UHFFFAOYSA-N 0 0 411.427 5.053 50 0 HKAARN CCOc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000035399564 569035405 /nfs/dbraw/zinc/03/54/05/569035405.db2.gz DOIJBQPXEQEGRO-UHFFFAOYSA-N 0 0 415.537 5.050 50 0 biogenic HKAARN CCOc1ccccc1C(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000035399565 569035377 /nfs/dbraw/zinc/03/53/77/569035377.db2.gz VLKYGGGMUHKUPI-UHFFFAOYSA-N 0 0 415.537 5.050 50 0 biogenic HKAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1c(F)cccc1Cl ZINC000035400179 569035389 /nfs/dbraw/zinc/03/53/89/569035389.db2.gz MANROIWSXLTHOG-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1Cl ZINC000035400192 569035384 /nfs/dbraw/zinc/03/53/84/569035384.db2.gz GGDBROWJQIDQNE-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1ccccc1n2Cc1ccccc1Cl ZINC000035400216 569035451 /nfs/dbraw/zinc/03/54/51/569035451.db2.gz NJAHGVRCGRLNRI-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1ccccc1n2Cc1cccc(Cl)c1 ZINC000035400217 569035445 /nfs/dbraw/zinc/03/54/45/569035445.db2.gz ILHHQLKZRMIUDU-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1ccc(Cl)cc1 ZINC000035400239 569035418 /nfs/dbraw/zinc/03/54/18/569035418.db2.gz SLYRGMPOLHFCKF-UHFFFAOYSA-N 0 0 413.908 5.296 50 0 HKAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1cccc(Cl)c1 ZINC000035400241 569035455 /nfs/dbraw/zinc/03/54/55/569035455.db2.gz BAZGFVLYMGSDAJ-UHFFFAOYSA-N 0 0 413.908 5.296 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccccc3c3ncn(CCc4ccccc4)c(=O)c32)c1 ZINC000035400247 569035424 /nfs/dbraw/zinc/03/54/24/569035424.db2.gz JCDDFVHVCCSNEV-UHFFFAOYSA-N 0 0 407.517 5.259 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccccc1F ZINC000035400284 569035436 /nfs/dbraw/zinc/03/54/36/569035436.db2.gz NOQRVXHAFODMEB-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN Cc1cccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400286 569035417 /nfs/dbraw/zinc/03/54/17/569035417.db2.gz OIRUDHHSFMQYCA-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccc(F)cc1 ZINC000035400289 569035448 /nfs/dbraw/zinc/03/54/48/569035448.db2.gz CDYNGYVEZXLPRI-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1cccc(F)c1 ZINC000035400290 569035412 /nfs/dbraw/zinc/03/54/12/569035412.db2.gz YLGDPEJJZZHSMX-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN Cc1ccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035400291 569035423 /nfs/dbraw/zinc/03/54/23/569035423.db2.gz ZCYYJRLBRAUUDH-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccccc1Cl ZINC000035400298 569035430 /nfs/dbraw/zinc/03/54/30/569035430.db2.gz SFLCKZOMHKDTQK-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(Cl)cc1 ZINC000035400299 569035441 /nfs/dbraw/zinc/03/54/41/569035441.db2.gz VKZTUYHLEVLGCD-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 ZINC000035400301 569035438 /nfs/dbraw/zinc/03/54/38/569035438.db2.gz SJJKPHAXPORUHF-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035400310 569035435 /nfs/dbraw/zinc/03/54/35/569035435.db2.gz WYHDYZXROUULQJ-UHFFFAOYSA-N 0 0 411.480 5.204 50 0 HKAARN Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(Cc3ccc(F)cc3)c(=O)c21 ZINC000035400322 569035450 /nfs/dbraw/zinc/03/54/50/569035450.db2.gz ITGYHPVTQNBTQN-UHFFFAOYSA-N 0 0 415.443 5.034 50 0 HKAARN Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000035400330 569035457 /nfs/dbraw/zinc/03/54/57/569035457.db2.gz GSQDCIAXZTUTIW-UHFFFAOYSA-N 0 0 415.443 5.034 50 0 HKAARN Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000035400336 569035407 /nfs/dbraw/zinc/03/54/07/569035407.db2.gz RUUKNGUQNYMIRW-UHFFFAOYSA-N 0 0 415.443 5.034 50 0 HKAARN Cc1ccc(Cn2c3ccc(F)cc3c3ncn(CCc4ccccc4)c(=O)c32)cc1 ZINC000035400383 569035416 /nfs/dbraw/zinc/03/54/16/569035416.db2.gz MFYSQOGPOGEOJY-UHFFFAOYSA-N 0 0 411.480 5.090 50 0 HKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1ccccc1 ZINC000035400549 557554545 /nfs/dbraw/zinc/55/45/45/557554545.db2.gz VBAJBUSCSQCTOX-UHFFFAOYSA-N 0 0 417.871 5.240 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccccc1Cl ZINC000035400574 569035501 /nfs/dbraw/zinc/03/55/01/569035501.db2.gz NJUGGTMWUJTGEO-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccc(Cl)cc1 ZINC000035400577 569035475 /nfs/dbraw/zinc/03/54/75/569035475.db2.gz LEMUEFWLVCTTJC-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1cccc(Cl)c1 ZINC000035400581 569035472 /nfs/dbraw/zinc/03/54/72/569035472.db2.gz CYPYXLIBTGMZOX-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccccc1F ZINC000035400653 569035459 /nfs/dbraw/zinc/03/54/59/569035459.db2.gz YEJJNDABHYVJNC-UHFFFAOYSA-N 0 0 415.443 5.034 50 0 HKAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccc(C)cc3)c2c1=O ZINC000035400681 569035498 /nfs/dbraw/zinc/03/54/98/569035498.db2.gz UFPAJONOLBKANI-UHFFFAOYSA-N 0 0 423.516 5.073 50 0 HKAARN Cc1ccc2c(c1)c1ncn([C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400703 569035513 /nfs/dbraw/zinc/03/55/13/569035513.db2.gz XYIRRAGCWZWEQT-SFHVURJKSA-N 0 0 411.480 5.456 50 0 HKAARN Cc1ccc2c(c1)c1ncn([C@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400706 569035510 /nfs/dbraw/zinc/03/55/10/569035510.db2.gz XYIRRAGCWZWEQT-GOSISDBHSA-N 0 0 411.480 5.456 50 0 HKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1ccccc1F ZINC000035400720 569035491 /nfs/dbraw/zinc/03/54/91/569035491.db2.gz DPLRLFGGTRDMEB-UHFFFAOYSA-N 0 0 411.480 5.090 50 0 HKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1cccc(C)c1 ZINC000035400726 569035500 /nfs/dbraw/zinc/03/55/00/569035500.db2.gz UZWABZBVWJCMDP-UHFFFAOYSA-N 0 0 407.517 5.259 50 0 HKAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400731 569035473 /nfs/dbraw/zinc/03/54/73/569035473.db2.gz SFPMLFPPUDAIJN-UHFFFAOYSA-N 0 0 411.480 5.090 50 0 HKAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(C)c4)c3c2=O)c1 ZINC000035400774 569035463 /nfs/dbraw/zinc/03/54/63/569035463.db2.gz YYRJLTRSFVSQPT-UHFFFAOYSA-N 0 0 423.516 5.073 50 0 HKAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(C)cc4)c3c2=O)c1 ZINC000035400783 569035486 /nfs/dbraw/zinc/03/54/86/569035486.db2.gz YRBPCCVJTREOHZ-UHFFFAOYSA-N 0 0 423.516 5.073 50 0 HKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1cccc(C)c1 ZINC000035400807 569035470 /nfs/dbraw/zinc/03/54/70/569035470.db2.gz QISKABNZTLIHIB-OAQYLSRUSA-N 0 0 421.544 5.820 50 0 HKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1cccc(C)c1 ZINC000035400811 569035462 /nfs/dbraw/zinc/03/54/62/569035462.db2.gz QISKABNZTLIHIB-NRFANRHFSA-N 0 0 421.544 5.820 50 0 HKAARN Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1 ZINC000035400814 569035502 /nfs/dbraw/zinc/03/55/02/569035502.db2.gz JMWBQCNTCDSGPR-HXUWFJFHSA-N 0 0 407.517 5.512 50 0 HKAARN Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1 ZINC000035400819 569035509 /nfs/dbraw/zinc/03/55/09/569035509.db2.gz JMWBQCNTCDSGPR-FQEVSTJZSA-N 0 0 407.517 5.512 50 0 HKAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccccc1 ZINC000035400861 569035497 /nfs/dbraw/zinc/03/54/97/569035497.db2.gz RXDYEAJBTOUIJK-UHFFFAOYSA-N 0 0 413.908 5.410 50 0 HKAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(CCc3c[nH]c4ccccc34)n2)c1 ZINC000035404978 569035779 /nfs/dbraw/zinc/03/57/79/569035779.db2.gz OGTZHDPGDPXZFD-UHFFFAOYSA-N 0 0 423.476 5.647 50 0 HKAARN CCCS(=O)(=O)N1CC=C(c2c(C)n(Cc3ccccc3C)c3ccccc32)CC1 ZINC000035406061 558790989 /nfs/dbraw/zinc/79/09/89/558790989.db2.gz KOPLLEVVKXMAAU-UHFFFAOYSA-N 0 0 422.594 5.135 50 0 HKAARN CC(C)C(=O)Nc1nc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2s1 ZINC000035423445 569036377 /nfs/dbraw/zinc/03/63/77/569036377.db2.gz ODEFZJNFXFQXNZ-UHFFFAOYSA-N 0 0 412.902 5.278 50 0 HKAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000035426571 569036581 /nfs/dbraw/zinc/03/65/81/569036581.db2.gz AIFFQEBZZYXHEG-UHFFFAOYSA-N 0 0 414.440 5.164 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)CN(C)CC4)c1C ZINC000035426936 569036576 /nfs/dbraw/zinc/03/65/76/569036576.db2.gz UZRGZHJDTMKHGZ-KRWDZBQOSA-N 0 0 420.582 5.252 50 0 HKAARN Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CN(C)CC4)c1C ZINC000035426938 569036600 /nfs/dbraw/zinc/03/66/00/569036600.db2.gz UZRGZHJDTMKHGZ-QGZVFWFLSA-N 0 0 420.582 5.252 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)nc3ccccc32)c1 ZINC000035429638 569036890 /nfs/dbraw/zinc/03/68/90/569036890.db2.gz ATYXCBHSHQQAOG-UHFFFAOYSA-N 0 0 402.885 5.265 50 0 HKAARN Cc1cccc(Nc2nc(C(=O)Nc3ccccc3C(F)(F)F)nc3ccccc32)c1 ZINC000035429640 569036851 /nfs/dbraw/zinc/03/68/51/569036851.db2.gz VHVOCETXDWNBDG-UHFFFAOYSA-N 0 0 422.410 5.953 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)NCc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000035429682 569036850 /nfs/dbraw/zinc/03/68/50/569036850.db2.gz IASYIQDMKJGULC-UHFFFAOYSA-N 0 0 402.885 5.265 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)Nc3cc(Cl)ccc3C)nc3ccccc32)cc1 ZINC000035429686 569036862 /nfs/dbraw/zinc/03/68/62/569036862.db2.gz VWBDUQGQEWDUNS-UHFFFAOYSA-N 0 0 402.885 5.896 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)Nc3cccc(Cl)c3C)nc3ccccc32)cc1 ZINC000035429717 569036855 /nfs/dbraw/zinc/03/68/55/569036855.db2.gz SSKDUVKFOMVYHL-UHFFFAOYSA-N 0 0 402.885 5.896 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(Cl)cc3F)nc3ccccc32)cc1 ZINC000035429766 569036887 /nfs/dbraw/zinc/03/68/87/569036887.db2.gz XFZVTCUFCGBNMM-UHFFFAOYSA-N 0 0 406.848 5.727 50 0 HKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3Cl)nc3ccccc32)cc1 ZINC000035429773 569036864 /nfs/dbraw/zinc/03/68/64/569036864.db2.gz DCMKFVKIDHRPAV-UHFFFAOYSA-N 0 0 406.848 5.727 50 0 HKAARN COc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1Cl ZINC000035429779 569036847 /nfs/dbraw/zinc/03/68/47/569036847.db2.gz DHFBMDJJQAJVSC-UHFFFAOYSA-N 0 0 418.884 5.596 50 0 HKAARN CSc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429818 569036856 /nfs/dbraw/zinc/03/68/56/569036856.db2.gz NJKODKWUORGQRI-UHFFFAOYSA-N 0 0 414.534 5.334 50 0 HKAARN CCOc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429824 569036877 /nfs/dbraw/zinc/03/68/77/569036877.db2.gz TVOHYDCCFSVJOF-UHFFFAOYSA-N 0 0 412.493 5.011 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429848 569036899 /nfs/dbraw/zinc/03/68/99/569036899.db2.gz ZKHGCBAKLIDYHX-UHFFFAOYSA-N 0 0 408.383 5.645 50 0 HKAARN O=C(Nc1ccccc1Br)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429855 569036865 /nfs/dbraw/zinc/03/68/65/569036865.db2.gz FTQPKXJIUUQRCN-UHFFFAOYSA-N 0 0 419.282 5.388 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429945 569036880 /nfs/dbraw/zinc/03/68/80/569036880.db2.gz GRDRRSRITUILAP-UHFFFAOYSA-N 0 0 404.857 5.288 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429962 569036870 /nfs/dbraw/zinc/03/68/70/569036870.db2.gz OQCXDWVFTWELTB-UHFFFAOYSA-N 0 0 418.884 5.596 50 0 HKAARN CSc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035429991 569036934 /nfs/dbraw/zinc/03/69/34/569036934.db2.gz NJPQFZDKXDZWMO-UHFFFAOYSA-N 0 0 400.507 5.025 50 0 HKAARN CC(C)Oc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035430009 569036916 /nfs/dbraw/zinc/03/69/16/569036916.db2.gz AOQSGRBSTQSUAA-UHFFFAOYSA-N 0 0 412.493 5.091 50 0 HKAARN CCc1ccc(Nc2nc(C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 ZINC000035430057 569036903 /nfs/dbraw/zinc/03/69/03/569036903.db2.gz QNIREDVHQAAUMN-UHFFFAOYSA-N 0 0 400.526 5.556 50 0 HKAARN CCc1ccc(Nc2nc(C(=O)NCc3ccccc3F)nc3ccccc32)cc1 ZINC000035430078 569036919 /nfs/dbraw/zinc/03/69/19/569036919.db2.gz UBURWAOHRAYCTC-UHFFFAOYSA-N 0 0 400.457 5.005 50 0 HKAARN O=C(NCc1ccccc1Cl)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430107 569036944 /nfs/dbraw/zinc/03/69/44/569036944.db2.gz VXUOIZUUFDBKKY-UHFFFAOYSA-N 0 0 406.848 5.096 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430109 569036928 /nfs/dbraw/zinc/03/69/28/569036928.db2.gz PHCHLQRJAIPCGZ-UHFFFAOYSA-N 0 0 406.848 5.096 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430155 569036900 /nfs/dbraw/zinc/03/69/00/569036900.db2.gz GTWKLFIWONDUGN-NRFANRHFSA-N 0 0 412.468 5.320 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430157 569036936 /nfs/dbraw/zinc/03/69/36/569036936.db2.gz GTWKLFIWONDUGN-OAQYLSRUSA-N 0 0 412.468 5.320 50 0 HKAARN CSc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000035430194 569036909 /nfs/dbraw/zinc/03/69/09/569036909.db2.gz XKXVYJMIQAVODZ-UHFFFAOYSA-N 0 0 418.497 5.164 50 0 HKAARN c1nc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c(NC2CCCCC2)n1 ZINC000035439886 569037127 /nfs/dbraw/zinc/03/71/27/569037127.db2.gz JGRXPPAYWKXSHD-UHFFFAOYSA-N 0 0 421.614 5.853 50 0 HKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000035446321 569037182 /nfs/dbraw/zinc/03/71/82/569037182.db2.gz QVFURFJLFRJYCL-UHFFFAOYSA-N 0 0 413.412 5.238 50 0 HKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1C ZINC000035446322 569037225 /nfs/dbraw/zinc/03/72/25/569037225.db2.gz NUIXLFQHZKZVDA-UHFFFAOYSA-N 0 0 411.440 5.846 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(F)cc4)n3)o2)cc1 ZINC000035446328 569037190 /nfs/dbraw/zinc/03/71/90/569037190.db2.gz VNYIGSPLXOJDOS-UHFFFAOYSA-N 0 0 413.412 5.238 50 0 HKAARN CCc1ccc(Nc2nc(-c3nnc(-c4ccc(OC)cc4)o3)nc3ccccc32)cc1 ZINC000035446335 569037216 /nfs/dbraw/zinc/03/72/16/569037216.db2.gz MKSDCRWQLUHRTB-UHFFFAOYSA-N 0 0 423.476 5.661 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCc5ccccc54)n3)o2)cc1 ZINC000035446339 571316829 /nfs/dbraw/zinc/31/68/29/571316829.db2.gz QQBJJZXAOYIDHM-UHFFFAOYSA-N 0 0 421.460 5.050 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4cc(C)cc(C)c4)n3)o2)cc1 ZINC000035446341 569037214 /nfs/dbraw/zinc/03/72/14/569037214.db2.gz BNYOMZUUJSMKPU-UHFFFAOYSA-N 0 0 423.476 5.716 50 0 HKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035446355 569037193 /nfs/dbraw/zinc/03/71/93/569037193.db2.gz KNNIZMKRXMWYHV-UHFFFAOYSA-N 0 0 409.449 5.489 50 0 HKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1Cl ZINC000035446359 569037174 /nfs/dbraw/zinc/03/71/74/569037174.db2.gz VXMYAVLMVWOEGM-UHFFFAOYSA-N 0 0 413.868 6.052 50 0 HKAARN CC(=O)c1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000035446367 569037196 /nfs/dbraw/zinc/03/71/96/569037196.db2.gz ONDOCLBSMDGUTF-UHFFFAOYSA-N 0 0 407.433 5.293 50 0 HKAARN CSc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000035446369 569037176 /nfs/dbraw/zinc/03/71/76/569037176.db2.gz XDYZXMHPANTLMF-UHFFFAOYSA-N 0 0 411.490 5.812 50 0 HKAARN CCOc1ccccc1Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000035446373 569037201 /nfs/dbraw/zinc/03/72/01/569037201.db2.gz WRSPJLUEBXKBJM-UHFFFAOYSA-N 0 0 409.449 5.489 50 0 HKAARN COc1ccc(C)cc1Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000035446376 569037197 /nfs/dbraw/zinc/03/71/97/569037197.db2.gz SFVSAGWDZVHUEY-UHFFFAOYSA-N 0 0 409.449 5.407 50 0 HKAARN CC(=O)Nc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035446378 569037177 /nfs/dbraw/zinc/03/71/77/569037177.db2.gz MLOBFPSLDGCUFN-UHFFFAOYSA-N 0 0 422.448 5.049 50 0 HKAARN COc1ccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035446416 569037178 /nfs/dbraw/zinc/03/71/78/569037178.db2.gz VDSDNTAHDWGAGF-UHFFFAOYSA-N 0 0 409.449 5.407 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N4CCc5ccccc54)n3)o2)c1 ZINC000035446421 569037199 /nfs/dbraw/zinc/03/71/99/569037199.db2.gz DUVSTHIQFVPWMU-UHFFFAOYSA-N 0 0 405.461 5.349 50 0 HKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035446423 569037213 /nfs/dbraw/zinc/03/72/13/569037213.db2.gz FRRBZFJEEANKEY-UHFFFAOYSA-N 0 0 423.476 5.798 50 0 HKAARN CC(=O)c1cccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)c1 ZINC000035446427 569037181 /nfs/dbraw/zinc/03/71/81/569037181.db2.gz AWXZIYQUHXBFSZ-UHFFFAOYSA-N 0 0 421.460 5.601 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(C)c(F)c4)n3)o2)c1 ZINC000035446429 569037206 /nfs/dbraw/zinc/03/72/06/569037206.db2.gz WBMITISKEBQMHV-UHFFFAOYSA-N 0 0 411.440 5.846 50 0 HKAARN CCOc1ccccc1Nc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035446431 569037222 /nfs/dbraw/zinc/03/72/22/569037222.db2.gz GQNFQCQVOVATKA-UHFFFAOYSA-N 0 0 423.476 5.798 50 0 HKAARN COc1ccc(C)cc1Nc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035446433 569037215 /nfs/dbraw/zinc/03/72/15/569037215.db2.gz AQZWCSJNUYUTQS-UHFFFAOYSA-N 0 0 423.476 5.716 50 0 HKAARN COc1ccccc1Nc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035446441 569037211 /nfs/dbraw/zinc/03/72/11/569037211.db2.gz SRSYPHHPOGERDU-UHFFFAOYSA-N 0 0 409.449 5.407 50 0 HKAARN COc1cccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)c1 ZINC000035446446 569037189 /nfs/dbraw/zinc/03/71/89/569037189.db2.gz MZZLSYYSKHANBM-UHFFFAOYSA-N 0 0 409.449 5.407 50 0 HKAARN COc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035446449 569037223 /nfs/dbraw/zinc/03/72/23/569037223.db2.gz OVCXQDWBOIUZIK-UHFFFAOYSA-N 0 0 409.449 5.407 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCc5ccccc54)n3)o2)cc1 ZINC000035446464 569037195 /nfs/dbraw/zinc/03/71/95/569037195.db2.gz QVAPWZVTTQPFRD-UHFFFAOYSA-N 0 0 405.461 5.349 50 0 HKAARN CCOc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035446467 569037198 /nfs/dbraw/zinc/03/71/98/569037198.db2.gz KEVYCEMOWKFWAL-UHFFFAOYSA-N 0 0 423.476 5.798 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(C)c(F)c4)n3)o2)cc1 ZINC000035446480 569037186 /nfs/dbraw/zinc/03/71/86/569037186.db2.gz OXTMZZRJGBGJGG-UHFFFAOYSA-N 0 0 411.440 5.846 50 0 HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1Cl ZINC000035446653 569037269 /nfs/dbraw/zinc/03/72/69/569037269.db2.gz RLOCYUPIOSZBTM-UHFFFAOYSA-N 0 0 406.917 5.388 50 0 biogenic HKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(Cl)c1 ZINC000035446670 569037260 /nfs/dbraw/zinc/03/72/60/569037260.db2.gz HGEKCMRKQKESMO-UHFFFAOYSA-N 0 0 406.917 5.388 50 0 biogenic HKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446674 569037240 /nfs/dbraw/zinc/03/72/40/569037240.db2.gz WYGLFQRVRZXNHS-UHFFFAOYSA-N 0 0 406.917 5.388 50 0 biogenic HKAARN Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446686 569037279 /nfs/dbraw/zinc/03/72/79/569037279.db2.gz NDYKBOBCACKZNG-UHFFFAOYSA-N 0 0 406.917 5.388 50 0 biogenic HKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccccc3Cl)CC1)c1cccn1-2 ZINC000035446750 569037275 /nfs/dbraw/zinc/03/72/75/569037275.db2.gz KFYVWBRKDBNSAO-UHFFFAOYSA-N 0 0 406.917 5.388 50 0 biogenic HKAARN CCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1 ZINC000035446756 569037233 /nfs/dbraw/zinc/03/72/33/569037233.db2.gz ROFCMFMFIDHJOW-UHFFFAOYSA-N 0 0 400.526 5.297 50 0 biogenic HKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(C)c3C)CC1)c1cccn1-2 ZINC000035446758 569037245 /nfs/dbraw/zinc/03/72/45/569037245.db2.gz FYFGYDLXYJFWBF-UHFFFAOYSA-N 0 0 400.526 5.351 50 0 biogenic HKAARN Cc1ccc(C)c(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c1 ZINC000035446764 569037238 /nfs/dbraw/zinc/03/72/38/569037238.db2.gz TUDRBPCWLBOSRJ-UHFFFAOYSA-N 0 0 400.526 5.351 50 0 biogenic HKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)cc(C)c3)CC1)c1cccn1-2 ZINC000035446767 569037229 /nfs/dbraw/zinc/03/72/29/569037229.db2.gz AEVOYNLAORLWMC-UHFFFAOYSA-N 0 0 400.526 5.351 50 0 biogenic HKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(Cl)ccc3C)CC1)c1cccn1-2 ZINC000035446784 569037270 /nfs/dbraw/zinc/03/72/70/569037270.db2.gz MXINWOOIIKBBSQ-UHFFFAOYSA-N 0 0 420.944 5.696 50 0 biogenic HKAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12 ZINC000035446790 569037271 /nfs/dbraw/zinc/03/72/71/569037271.db2.gz NEVURLUZEKSYCI-UHFFFAOYSA-N 0 0 416.525 5.133 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)c1cccn1-2 ZINC000035446840 569037234 /nfs/dbraw/zinc/03/72/34/569037234.db2.gz BRPVRXCUUSDMPE-UHFFFAOYSA-N 0 0 422.916 5.088 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000035446846 569037230 /nfs/dbraw/zinc/03/72/30/569037230.db2.gz XQKCWUYVERSGBS-UHFFFAOYSA-N 0 0 422.916 5.088 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)c(C)c3)CC1)c1cccn1-2 ZINC000035446855 569037253 /nfs/dbraw/zinc/03/72/53/569037253.db2.gz ORVIMLMLDSXKTL-UHFFFAOYSA-N 0 0 416.525 5.051 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)ccc3C)CC1)c1cccn1-2 ZINC000035446858 569037263 /nfs/dbraw/zinc/03/72/63/569037263.db2.gz FONKZDPQKNIYJN-UHFFFAOYSA-N 0 0 416.525 5.051 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)cc(C)c3)CC1)c1cccn1-2 ZINC000035446861 569037232 /nfs/dbraw/zinc/03/72/32/569037232.db2.gz FEJHJCFSVNPILL-UHFFFAOYSA-N 0 0 416.525 5.051 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)cc3C)CC1)c1cccn1-2 ZINC000035446923 569037276 /nfs/dbraw/zinc/03/72/76/569037276.db2.gz KWCWBRISQKMANH-UHFFFAOYSA-N 0 0 416.525 5.051 50 0 biogenic HKAARN C[C@@H](CNC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1)c1ccccc1 ZINC000035447540 569037438 /nfs/dbraw/zinc/03/74/38/569037438.db2.gz OVOPVWUABJTACU-INIZCTEOSA-N 0 0 415.518 5.082 50 0 HKAARN C[C@H](CNC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1)c1ccccc1 ZINC000035447542 569037424 /nfs/dbraw/zinc/03/74/24/569037424.db2.gz OVOPVWUABJTACU-MRXNPFEDSA-N 0 0 415.518 5.082 50 0 HKAARN C[C@@H](CNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)c1ccccc1 ZINC000035447575 569037444 /nfs/dbraw/zinc/03/74/44/569037444.db2.gz NSQFQBWOKNIZQV-INIZCTEOSA-N 0 0 415.518 5.082 50 0 HKAARN C[C@H](CNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)c1ccccc1 ZINC000035447577 569037445 /nfs/dbraw/zinc/03/74/45/569037445.db2.gz NSQFQBWOKNIZQV-MRXNPFEDSA-N 0 0 415.518 5.082 50 0 HKAARN C[C@@H](CNC(=O)c1ccccc1NC(=O)c1nsc2ccccc21)c1ccccc1 ZINC000035447685 569037440 /nfs/dbraw/zinc/03/74/40/569037440.db2.gz FESYCGKMJYZOFQ-INIZCTEOSA-N 0 0 415.518 5.082 50 0 HKAARN C[C@H](CNC(=O)c1ccccc1NC(=O)c1nsc2ccccc21)c1ccccc1 ZINC000035447687 569037419 /nfs/dbraw/zinc/03/74/19/569037419.db2.gz FESYCGKMJYZOFQ-MRXNPFEDSA-N 0 0 415.518 5.082 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000035448276 569037469 /nfs/dbraw/zinc/03/74/69/569037469.db2.gz DECLMICOOUYSGZ-AREMUKBSSA-N 0 0 405.501 5.746 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000035448278 569037496 /nfs/dbraw/zinc/03/74/96/569037496.db2.gz DECLMICOOUYSGZ-SANMLTNESA-N 0 0 405.501 5.746 50 0 HKAARN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000035448430 569037485 /nfs/dbraw/zinc/03/74/85/569037485.db2.gz ZGXUVLQTCISCHT-UHFFFAOYSA-N 0 0 416.352 5.096 50 0 HKAARN CCCn1cnc2cc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)ccc21 ZINC000035453556 569037670 /nfs/dbraw/zinc/03/76/70/569037670.db2.gz HJIFBZQGJUUNHO-UHFFFAOYSA-N 0 0 413.437 5.009 50 0 HKAARN CCCn1cnc2cc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000035453581 569037829 /nfs/dbraw/zinc/03/78/29/569037829.db2.gz FRJYRRCKHXQCJB-UHFFFAOYSA-N 0 0 413.437 5.009 50 0 HKAARN CCN1c2ccc(-c3noc(-c4cccs4)n3)cc2Sc2ccccc2C1=O ZINC000035453799 569037807 /nfs/dbraw/zinc/03/78/07/569037807.db2.gz IQHSGNUGPRTXPR-UHFFFAOYSA-N 0 0 405.504 5.596 50 0 HKAARN CCCN1c2ccc(-c3noc(-c4ccncc4)n3)cc2Sc2ccccc2C1=O ZINC000035453824 569037810 /nfs/dbraw/zinc/03/78/10/569037810.db2.gz LYHBALFMUAQYHT-UHFFFAOYSA-N 0 0 414.490 5.320 50 0 HKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccco4)n3)ccc2N1C1CC1 ZINC000035453839 569037795 /nfs/dbraw/zinc/03/77/95/569037795.db2.gz AGPJFARMISNYPV-UHFFFAOYSA-N 0 0 401.447 5.270 50 0 HKAARN O=C1c2ccccc2Sc2cc(-c3noc(-c4ccncc4)n3)ccc2N1C1CC1 ZINC000035453844 569037804 /nfs/dbraw/zinc/03/78/04/569037804.db2.gz WLDNEGZQUUUPKC-UHFFFAOYSA-N 0 0 412.474 5.072 50 0 HKAARN COc1ccc(-c2noc(-c3ccc(N4CC=C(c5ccccc5)CC4)nc3)n2)cc1 ZINC000035461209 569038292 /nfs/dbraw/zinc/03/82/92/569038292.db2.gz ILHYVFIRBDWPBZ-UHFFFAOYSA-N 0 0 410.477 5.101 50 0 HKAARN CCOc1ccc(-c2cc3c(SCC(=O)c4ccc(C)cc4C)nccn3n2)cc1 ZINC000035462631 569038080 /nfs/dbraw/zinc/03/80/80/569038080.db2.gz MCJSSOPXOZEIAM-UHFFFAOYSA-N 0 0 417.534 5.387 50 0 HKAARN CCOc1ccc(-c2cc3c(SCC(=O)c4cc(C)ccc4C)nccn3n2)cc1 ZINC000035462649 569038104 /nfs/dbraw/zinc/03/81/04/569038104.db2.gz ROIJJMSFBDJXHJ-UHFFFAOYSA-N 0 0 417.534 5.387 50 0 HKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1 ZINC000035463013 569038079 /nfs/dbraw/zinc/03/80/79/569038079.db2.gz BDYRZZJCAUUUQA-UHFFFAOYSA-N 0 0 416.506 5.017 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000035463097 569038110 /nfs/dbraw/zinc/03/81/10/569038110.db2.gz XSADBRBEBRMARC-OAQYLSRUSA-N 0 0 420.306 5.502 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000035463100 569038066 /nfs/dbraw/zinc/03/80/66/569038066.db2.gz XSADBRBEBRMARC-NRFANRHFSA-N 0 0 420.306 5.502 50 0 HKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000035463109 569038111 /nfs/dbraw/zinc/03/81/11/569038111.db2.gz CHDVBVDKJCBFKC-OAQYLSRUSA-N 0 0 411.835 5.671 50 0 HKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000035463112 569038097 /nfs/dbraw/zinc/03/80/97/569038097.db2.gz CHDVBVDKJCBFKC-NRFANRHFSA-N 0 0 411.835 5.671 50 0 HKAARN CC(C)=CCc1c(=O)c2c(O)c(-c3ccc(O)cc3O)coc-2c2c1OC(C)(C)C=C2 ZINC000035464242 291286737 /nfs/dbraw/zinc/28/67/37/291286737.db2.gz ZSSVYEUXLNVQMH-UHFFFAOYSA-N 0 0 420.461 5.270 50 0 biogenic,in-vitro HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3cccc(Cl)c3)c[nH]c21 ZINC000035471485 569038328 /nfs/dbraw/zinc/03/83/28/569038328.db2.gz RFTVPZPYZVLXNH-QFIPXVFZSA-N 0 0 417.940 5.617 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3cccc(Cl)c3)c[nH]c21 ZINC000035471486 569038337 /nfs/dbraw/zinc/03/83/37/569038337.db2.gz RFTVPZPYZVLXNH-JOCHJYFZSA-N 0 0 417.940 5.617 50 0 HKAARN CCc1ccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035475888 569038303 /nfs/dbraw/zinc/03/83/03/569038303.db2.gz JORSKESPIFKKMT-UHFFFAOYSA-N 0 0 421.504 5.830 50 0 HKAARN CCc1ccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035475897 569038345 /nfs/dbraw/zinc/03/83/45/569038345.db2.gz ZTNRSRJQSNPDDR-UHFFFAOYSA-N 0 0 421.504 5.830 50 0 HKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3ccc(Cl)cc3)CC1)N2 ZINC000035475952 569038341 /nfs/dbraw/zinc/03/83/41/569038341.db2.gz HLMLDLUJRXTRKZ-UHFFFAOYSA-N 0 0 419.956 5.233 50 0 biogenic HKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000035476096 569038445 /nfs/dbraw/zinc/03/84/45/569038445.db2.gz ROJKRQULOWWCFD-UHFFFAOYSA-N 0 0 421.547 5.715 50 0 HKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000035476099 569038409 /nfs/dbraw/zinc/03/84/09/569038409.db2.gz AEPMIBJESBFIRJ-UHFFFAOYSA-N 0 0 409.536 5.509 50 0 HKAARN CCc1ccc2nc(NC(=O)c3sc(COc4cccc(C)c4)nc3C)sc2c1 ZINC000035476103 569038413 /nfs/dbraw/zinc/03/84/13/569038413.db2.gz BIJJRYGYFTZUKH-UHFFFAOYSA-N 0 0 423.563 5.763 50 0 HKAARN O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1cccc(Cl)c1 ZINC000035476113 569038436 /nfs/dbraw/zinc/03/84/36/569038436.db2.gz VBXZTIDZLIJQBO-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN CC(C)c1csc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)n1 ZINC000035476118 569038430 /nfs/dbraw/zinc/03/84/30/569038430.db2.gz WZNYSKXVGHBIEQ-UHFFFAOYSA-N 0 0 420.494 5.001 50 0 HKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000035476301 569038510 /nfs/dbraw/zinc/03/85/10/569038510.db2.gz SQJSZEFHSNJVAB-UHFFFAOYSA-N 0 0 422.963 5.220 50 0 HKAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nc4ccc(C)cc4s3)s2)cc1 ZINC000035476306 569038496 /nfs/dbraw/zinc/03/84/96/569038496.db2.gz OTYXPNPXGPLOFJ-UHFFFAOYSA-N 0 0 423.563 5.763 50 0 HKAARN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476323 569038487 /nfs/dbraw/zinc/03/84/87/569038487.db2.gz GXSFVRSKHBFAJN-KRWDZBQOSA-N 0 0 416.859 5.175 50 0 HKAARN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000035476324 569038495 /nfs/dbraw/zinc/03/84/95/569038495.db2.gz GXSFVRSKHBFAJN-QGZVFWFLSA-N 0 0 416.859 5.175 50 0 HKAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000035476495 569038304 /nfs/dbraw/zinc/03/83/04/569038304.db2.gz YELLTGMAGMBBPX-MRXNPFEDSA-N 0 0 418.946 5.436 50 0 HKAARN COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000035476496 569038347 /nfs/dbraw/zinc/03/83/47/569038347.db2.gz YELLTGMAGMBBPX-INIZCTEOSA-N 0 0 418.946 5.436 50 0 HKAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)sc2c1CCCC2 ZINC000035476555 569038335 /nfs/dbraw/zinc/03/83/35/569038335.db2.gz FSHJYUNDEMYZGY-MRXNPFEDSA-N 0 0 418.946 5.436 50 0 HKAARN COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccccc2Cl)sc2c1CCCC2 ZINC000035476556 569038300 /nfs/dbraw/zinc/03/83/00/569038300.db2.gz FSHJYUNDEMYZGY-INIZCTEOSA-N 0 0 418.946 5.436 50 0 HKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476830 558792475 /nfs/dbraw/zinc/79/24/75/558792475.db2.gz SLRVOFYDLXBIDT-QHCPKHFHSA-N 0 0 413.546 6.214 50 0 HKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476831 558792525 /nfs/dbraw/zinc/79/25/25/558792525.db2.gz SLRVOFYDLXBIDT-HSZRJFAPSA-N 0 0 413.546 6.214 50 0 HKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476832 558792386 /nfs/dbraw/zinc/79/23/86/558792386.db2.gz UJCAKTUEKJJURJ-QHCPKHFHSA-N 0 0 413.546 6.214 50 0 HKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476833 558792463 /nfs/dbraw/zinc/79/24/63/558792463.db2.gz UJCAKTUEKJJURJ-HSZRJFAPSA-N 0 0 413.546 6.214 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476848 558792437 /nfs/dbraw/zinc/79/24/37/558792437.db2.gz YTJXNRUVCQYDAG-NRFANRHFSA-N 0 0 400.507 5.300 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476849 558792521 /nfs/dbraw/zinc/79/25/21/558792521.db2.gz YTJXNRUVCQYDAG-OAQYLSRUSA-N 0 0 400.507 5.300 50 0 HKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476850 558792447 /nfs/dbraw/zinc/79/24/47/558792447.db2.gz GFWWQVGPZIRXSS-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476851 558792430 /nfs/dbraw/zinc/79/24/30/558792430.db2.gz GFWWQVGPZIRXSS-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476852 558792484 /nfs/dbraw/zinc/79/24/84/558792484.db2.gz JGHYHFORNVNXSO-OAQYLSRUSA-N 0 0 400.507 5.300 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476853 558792515 /nfs/dbraw/zinc/79/25/15/558792515.db2.gz JGHYHFORNVNXSO-NRFANRHFSA-N 0 0 400.507 5.300 50 0 HKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476854 558792442 /nfs/dbraw/zinc/79/24/42/558792442.db2.gz LBJNQSHSAOFOKE-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476855 558792495 /nfs/dbraw/zinc/79/24/95/558792495.db2.gz LBJNQSHSAOFOKE-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476856 558792507 /nfs/dbraw/zinc/79/25/07/558792507.db2.gz YATZYYCLMKHLFQ-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476857 558792425 /nfs/dbraw/zinc/79/24/25/558792425.db2.gz YATZYYCLMKHLFQ-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476860 558792530 /nfs/dbraw/zinc/79/25/30/558792530.db2.gz KLBDOTMIEWEBIE-HXUWFJFHSA-N 0 0 405.548 5.967 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476861 558792418 /nfs/dbraw/zinc/79/24/18/558792418.db2.gz KLBDOTMIEWEBIE-FQEVSTJZSA-N 0 0 405.548 5.967 50 0 HKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476862 558792489 /nfs/dbraw/zinc/79/24/89/558792489.db2.gz MKHLAPPZIGMWCD-NRFANRHFSA-N 0 0 419.575 6.275 50 0 HKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476863 558792457 /nfs/dbraw/zinc/79/24/57/558792457.db2.gz MKHLAPPZIGMWCD-OAQYLSRUSA-N 0 0 419.575 6.275 50 0 HKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476864 558792395 /nfs/dbraw/zinc/79/23/95/558792395.db2.gz KSTSSBSJSNKUDR-NRFANRHFSA-N 0 0 419.575 6.275 50 0 HKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476865 558792451 /nfs/dbraw/zinc/79/24/51/558792451.db2.gz KSTSSBSJSNKUDR-OAQYLSRUSA-N 0 0 419.575 6.275 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccccn2)c1C ZINC000035476888 569038397 /nfs/dbraw/zinc/03/83/97/569038397.db2.gz VZZSRNYXVXFOFR-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccn2)c1C ZINC000035476889 569038364 /nfs/dbraw/zinc/03/83/64/569038364.db2.gz VZZSRNYXVXFOFR-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2cccnc2)c1C ZINC000035476894 569038376 /nfs/dbraw/zinc/03/83/76/569038376.db2.gz PVXDTBAMGROKAF-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2cccnc2)c1C ZINC000035476895 569038401 /nfs/dbraw/zinc/03/84/01/569038401.db2.gz PVXDTBAMGROKAF-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccncc2)c1C ZINC000035476900 569038349 /nfs/dbraw/zinc/03/83/49/569038349.db2.gz SDJYOGHTJYWOQY-JOCHJYFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccncc2)c1C ZINC000035476901 569038392 /nfs/dbraw/zinc/03/83/92/569038392.db2.gz SDJYOGHTJYWOQY-QFIPXVFZSA-N 0 0 414.534 5.609 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccsc2)c1C ZINC000035476908 569038361 /nfs/dbraw/zinc/03/83/61/569038361.db2.gz MJRFHKDCFDQLQQ-OAQYLSRUSA-N 0 0 419.575 6.275 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccsc2)c1C ZINC000035476909 569038403 /nfs/dbraw/zinc/03/84/03/569038403.db2.gz MJRFHKDCFDQLQQ-NRFANRHFSA-N 0 0 419.575 6.275 50 0 HKAARN CCc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476922 569038351 /nfs/dbraw/zinc/03/83/51/569038351.db2.gz SIGDIPKNMGYDEZ-OAQYLSRUSA-N 0 0 419.575 6.221 50 0 HKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476923 569038366 /nfs/dbraw/zinc/03/83/66/569038366.db2.gz SIGDIPKNMGYDEZ-NRFANRHFSA-N 0 0 419.575 6.221 50 0 HKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000035477120 558792626 /nfs/dbraw/zinc/79/26/26/558792626.db2.gz XRCRSHDFOPTVJN-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN C[C@@H](CCc1ccccc1)Nc1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn21 ZINC000035477190 569038353 /nfs/dbraw/zinc/03/83/53/569038353.db2.gz FKQRZXLBBOPQPP-IBGZPJMESA-N 0 0 420.520 5.287 50 0 HKAARN C[C@H](CCc1ccccc1)Nc1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn21 ZINC000035477191 569038369 /nfs/dbraw/zinc/03/83/69/569038369.db2.gz FKQRZXLBBOPQPP-LJQANCHMSA-N 0 0 420.520 5.287 50 0 HKAARN O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035478199 569038448 /nfs/dbraw/zinc/03/84/48/569038448.db2.gz COEQIXGZGRCLGW-UHFFFAOYSA-N 0 0 420.271 5.202 50 0 HKAARN COc1ccc(Cl)cc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000035478588 569038523 /nfs/dbraw/zinc/03/85/23/569038523.db2.gz BUKQADZSFGRHDJ-UHFFFAOYSA-N 0 0 413.880 5.406 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000035478589 569038547 /nfs/dbraw/zinc/03/85/47/569038547.db2.gz KBRQQPRIEXMGRF-UHFFFAOYSA-N 0 0 401.844 5.536 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ncccc3nc2-c2ccc(F)cc2)cc1Cl ZINC000035478839 569038549 /nfs/dbraw/zinc/03/85/49/569038549.db2.gz MSAMWDBMPFAIOI-UHFFFAOYSA-N 0 0 423.879 5.021 50 0 HKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CCc5ccccc5C4)cc3)c2O1 ZINC000035479327 569038502 /nfs/dbraw/zinc/03/85/02/569038502.db2.gz IMHSEOCVZNUXMG-UHFFFAOYSA-N 0 0 413.517 5.178 50 0 HKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccccc2CC)CC3)cc1 ZINC000035480488 569039292 /nfs/dbraw/zinc/03/92/92/569039292.db2.gz KSOJTDUHPRUZTN-UHFFFAOYSA-N 0 0 407.539 5.361 50 0 HKAARN CCOC(=O)CC1=CC(SCC(=O)c2cc(C)ccc2C)=Nc2ccccc2N1 ZINC000035480718 569039321 /nfs/dbraw/zinc/03/93/21/569039321.db2.gz VKUQIQQWHXEDSY-UHFFFAOYSA-N 0 0 408.523 5.212 50 0 HKAARN Fc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 ZINC000035480854 569039340 /nfs/dbraw/zinc/03/93/40/569039340.db2.gz BIKYXCPJEBZCDC-UHFFFAOYSA-N 0 0 414.303 5.590 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035481372 569039440 /nfs/dbraw/zinc/03/94/40/569039440.db2.gz KPZOQOULNGGTJI-HSZRJFAPSA-N 0 0 419.908 5.444 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035481374 569039410 /nfs/dbraw/zinc/03/94/10/569039410.db2.gz KPZOQOULNGGTJI-QHCPKHFHSA-N 0 0 419.908 5.444 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000035481378 569039430 /nfs/dbraw/zinc/03/94/30/569039430.db2.gz DVPJMCLFZAYYQS-OAQYLSRUSA-N 0 0 409.844 5.545 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000035481380 569039409 /nfs/dbraw/zinc/03/94/09/569039409.db2.gz DVPJMCLFZAYYQS-NRFANRHFSA-N 0 0 409.844 5.545 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000035481385 569039408 /nfs/dbraw/zinc/03/94/08/569039408.db2.gz QSGDTZDLQFTCCQ-OAQYLSRUSA-N 0 0 409.844 5.545 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000035481387 569039406 /nfs/dbraw/zinc/03/94/06/569039406.db2.gz QSGDTZDLQFTCCQ-NRFANRHFSA-N 0 0 409.844 5.545 50 0 HKAARN CCOc1ccc(-c2nc(-c3cccc(NC(=O)Nc4ccccc4)c3)no2)cc1 ZINC000035481909 569039535 /nfs/dbraw/zinc/03/95/35/569039535.db2.gz KZEMVHSSYAKUKE-UHFFFAOYSA-N 0 0 400.438 5.446 50 0 HKAARN Cc1nc2cc(-c3noc([C@@H](C)Oc4ccccc4)n3)ccc2n(C2CCCC2)c1=O ZINC000035481937 569039529 /nfs/dbraw/zinc/03/95/29/569039529.db2.gz JBJVEVAAYISNNL-MRXNPFEDSA-N 0 0 416.481 5.010 50 0 HKAARN Cc1nc2cc(-c3noc([C@H](C)Oc4ccccc4)n3)ccc2n(C2CCCC2)c1=O ZINC000035481938 569039543 /nfs/dbraw/zinc/03/95/43/569039543.db2.gz JBJVEVAAYISNNL-INIZCTEOSA-N 0 0 416.481 5.010 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502474 569040438 /nfs/dbraw/zinc/04/04/38/569040438.db2.gz QATXHJXHLHOAGV-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502491 569040413 /nfs/dbraw/zinc/04/04/13/569040413.db2.gz ITUKXBTWAQJBQX-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502494 569040452 /nfs/dbraw/zinc/04/04/52/569040452.db2.gz FSICWBVZSXAEAY-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000035502520 569040414 /nfs/dbraw/zinc/04/04/14/569040414.db2.gz PYWKWHXXFPXMIB-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN CN(C(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)C1CCCCC1 ZINC000035502563 569040419 /nfs/dbraw/zinc/04/04/19/569040419.db2.gz WTOQAYLEIXGCCW-UHFFFAOYSA-N 0 0 404.489 5.431 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502610 569040469 /nfs/dbraw/zinc/04/04/69/569040469.db2.gz MLDLEIWPEBXEQL-XMMPIXPASA-N 0 0 420.516 5.695 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502613 569040471 /nfs/dbraw/zinc/04/04/71/569040471.db2.gz MLDLEIWPEBXEQL-DEOSSOPVSA-N 0 0 420.516 5.695 50 0 HKAARN CC[C@@H](C)NC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000035503317 569040542 /nfs/dbraw/zinc/04/05/42/569040542.db2.gz OIKIANLZIYNJSO-GFCCVEGCSA-N 0 0 402.292 5.171 50 0 HKAARN CC[C@H](C)NC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000035503320 569040545 /nfs/dbraw/zinc/04/05/45/569040545.db2.gz OIKIANLZIYNJSO-LBPRGKRZSA-N 0 0 402.292 5.171 50 0 HKAARN CCOc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 ZINC000035503816 569040807 /nfs/dbraw/zinc/04/08/07/569040807.db2.gz URCWALUVEDTKNP-UHFFFAOYSA-N 0 0 409.445 5.106 50 0 HKAARN Clc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)cc1 ZINC000035504146 569040798 /nfs/dbraw/zinc/04/07/98/569040798.db2.gz XFMNULZGMOWWPG-UHFFFAOYSA-N 0 0 401.651 5.210 50 0 HKAARN Clc1cccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)c1 ZINC000035504152 569040814 /nfs/dbraw/zinc/04/08/14/569040814.db2.gz NEUORJMMULDNBE-UHFFFAOYSA-N 0 0 401.651 5.210 50 0 HKAARN COc1cc(-c2noc(-c3cc(-c4cc(C)ccc4C)[nH]n3)n2)ccc1OC(C)C ZINC000035504195 569040768 /nfs/dbraw/zinc/04/07/68/569040768.db2.gz FZZIPCQAOHVFJW-UHFFFAOYSA-N 0 0 404.470 5.206 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C ZINC000035506319 569040897 /nfs/dbraw/zinc/04/08/97/569040897.db2.gz JCASKYCCWGHVCL-UHFFFAOYSA-N 0 0 411.845 5.045 50 0 HKAARN Clc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035509346 569041083 /nfs/dbraw/zinc/04/10/83/569041083.db2.gz BDWNBCDNYCKBGI-UHFFFAOYSA-N 0 0 413.868 5.612 50 0 HKAARN Clc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccnc4)n3)o2)cc1 ZINC000035509371 569041079 /nfs/dbraw/zinc/04/10/79/569041079.db2.gz DGPZNEKXRJKKCN-UHFFFAOYSA-N 0 0 414.856 5.007 50 0 HKAARN Clc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4)n3)o2)cc1 ZINC000035509373 569041052 /nfs/dbraw/zinc/04/10/52/569041052.db2.gz YSLPFDCWFUGTEN-UHFFFAOYSA-N 0 0 413.868 5.612 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N(C)Cc4ccccc4)n3)o2)c1 ZINC000035509375 569041090 /nfs/dbraw/zinc/04/10/90/569041090.db2.gz XXPKYRPERTWOIU-UHFFFAOYSA-N 0 0 407.477 5.292 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N[C@@H](C)c4ccccc4)n3)o2)c1 ZINC000035509381 569041098 /nfs/dbraw/zinc/04/10/98/569041098.db2.gz LUPBJORYZBNAIR-KRWDZBQOSA-N 0 0 407.477 5.828 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N[C@H](C)c4ccccc4)n3)o2)c1 ZINC000035509383 569041107 /nfs/dbraw/zinc/04/11/07/569041107.db2.gz LUPBJORYZBNAIR-QGZVFWFLSA-N 0 0 407.477 5.828 50 0 HKAARN Clc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4cccnc4)n3)o2)c1 ZINC000035509403 569041076 /nfs/dbraw/zinc/04/10/76/569041076.db2.gz JSMBQQBYBABMPC-UHFFFAOYSA-N 0 0 414.856 5.007 50 0 HKAARN Clc1cccc(-c2nnc(-c3nc4ccccc4c(NC4CCCCC4)n3)o2)c1 ZINC000035509411 571316917 /nfs/dbraw/zinc/31/69/17/571316917.db2.gz BUOYNDVALKRGAU-UHFFFAOYSA-N 0 0 405.889 5.745 50 0 HKAARN COc1cc(Cl)ccc1OC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000035509843 569041744 /nfs/dbraw/zinc/04/17/44/569041744.db2.gz JYBVFACCMAXHBA-UHFFFAOYSA-N 0 0 416.861 5.322 50 0 HKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)OCc3ccc(Cl)cc3)sc21 ZINC000035509845 569041758 /nfs/dbraw/zinc/04/17/58/569041758.db2.gz JKBAMPXVMUEBIF-UHFFFAOYSA-N 0 0 400.862 5.451 50 0 HKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)Oc3ccc4cnccc4c3)sc21 ZINC000035509858 569041782 /nfs/dbraw/zinc/04/17/82/569041782.db2.gz BJEQBDCCIMVANM-UHFFFAOYSA-N 0 0 403.438 5.208 50 0 HKAARN CCN(CC)c1cccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000035509887 569041746 /nfs/dbraw/zinc/04/17/46/569041746.db2.gz WALATNFYGUTTSY-UHFFFAOYSA-N 0 0 405.523 5.461 50 0 HKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)Oc3ccc4cnccc4c3)cc12 ZINC000035509908 569041743 /nfs/dbraw/zinc/04/17/43/569041743.db2.gz RQBTYCKCKIFGEQ-UHFFFAOYSA-N 0 0 403.438 5.302 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)c(Cl)c3)cc12 ZINC000035509926 569041761 /nfs/dbraw/zinc/04/17/61/569041761.db2.gz LCPZZTYMXVVJHY-UHFFFAOYSA-N 0 0 403.841 5.579 50 0 HKAARN COC(=O)c1c(Nc2cc(Cl)c(OC)cc2OC)onc1-c1cccc(Cl)c1 ZINC000035510001 569041765 /nfs/dbraw/zinc/04/17/65/569041765.db2.gz UFZLDTSMNOYSIB-UHFFFAOYSA-N 0 0 423.252 5.196 50 0 HKAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccc(Br)cc1F ZINC000035510272 569042138 /nfs/dbraw/zinc/04/21/38/569042138.db2.gz MVRHZZWJUNTADP-UHFFFAOYSA-N 0 0 411.177 5.082 50 0 HKAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000035510312 569042163 /nfs/dbraw/zinc/04/21/63/569042163.db2.gz NERMQLUYBYXALG-AWEZNQCLSA-N 0 0 413.315 5.164 50 0 HKAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000035510314 569042129 /nfs/dbraw/zinc/04/21/29/569042129.db2.gz NERMQLUYBYXALG-CQSZACIVSA-N 0 0 413.315 5.164 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)c1nsc2ccccc21 ZINC000035510332 569042221 /nfs/dbraw/zinc/04/22/21/569042221.db2.gz UQPVCPXWAPGCMT-INIZCTEOSA-N 0 0 415.518 5.348 50 0 HKAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1NC(=O)c1nsc2ccccc21 ZINC000035510334 569042208 /nfs/dbraw/zinc/04/22/08/569042208.db2.gz UQPVCPXWAPGCMT-MRXNPFEDSA-N 0 0 415.518 5.348 50 0 HKAARN O=C(Nc1ccccc1C(=O)NCCC1=CCCCC1)c1nsc2ccccc21 ZINC000035510353 569042340 /nfs/dbraw/zinc/04/23/40/569042340.db2.gz UJQRSBNKSFYHMP-UHFFFAOYSA-N 0 0 405.523 5.169 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccccc2F)c1C ZINC000035510411 569042329 /nfs/dbraw/zinc/04/23/29/569042329.db2.gz QMFABVSOEOQXKU-UHFFFAOYSA-N 0 0 422.500 5.098 50 0 HKAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000035511086 569043073 /nfs/dbraw/zinc/04/30/73/569043073.db2.gz UKCUHRMBFLRSQM-UHFFFAOYSA-N 0 0 423.520 5.832 50 0 HKAARN CCCN1c2ccc(NC(=O)c3cccc(Cl)c3)cc2Sc2ccccc2C1=O ZINC000035511118 569043020 /nfs/dbraw/zinc/04/30/20/569043020.db2.gz BLSJLDAWXSRCNI-UHFFFAOYSA-N 0 0 422.937 6.114 50 0 HKAARN CN1c2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000035511155 569043074 /nfs/dbraw/zinc/04/30/74/569043074.db2.gz RNEJQBOMAPYCRQ-SDNWHVSQSA-N 0 0 411.486 5.648 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000035511195 569043069 /nfs/dbraw/zinc/04/30/69/569043069.db2.gz NBXMUDIHOQUDTD-MRXNPFEDSA-N 0 0 417.868 5.531 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000035511196 569043038 /nfs/dbraw/zinc/04/30/38/569043038.db2.gz NBXMUDIHOQUDTD-INIZCTEOSA-N 0 0 417.868 5.531 50 0 HKAARN CCCc1cc([C@@H]2CCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)no1 ZINC000035511199 569043031 /nfs/dbraw/zinc/04/30/31/569043031.db2.gz VGCGKKLKYAUMSC-KRWDZBQOSA-N 0 0 417.868 5.360 50 0 HKAARN CCCc1cc([C@H]2CCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)no1 ZINC000035511200 569043037 /nfs/dbraw/zinc/04/30/37/569043037.db2.gz VGCGKKLKYAUMSC-QGZVFWFLSA-N 0 0 417.868 5.360 50 0 HKAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cnc(Br)cn21 ZINC000035511580 569043105 /nfs/dbraw/zinc/04/31/05/569043105.db2.gz NUURTVOFUSCADF-UHFFFAOYSA-N 0 0 422.330 5.277 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnc(Br)cn21 ZINC000035511582 569043099 /nfs/dbraw/zinc/04/30/99/569043099.db2.gz APXDKKOZDCAJJE-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2cnc(Br)cn21 ZINC000035511583 569043094 /nfs/dbraw/zinc/04/30/94/569043094.db2.gz FULKTBAJBTUVQD-UHFFFAOYSA-N 0 0 411.278 5.658 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnc(Br)cn21 ZINC000035511584 569043098 /nfs/dbraw/zinc/04/30/98/569043098.db2.gz WPSMBBGNSISBHI-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cnc(Br)cn21 ZINC000035511585 569043101 /nfs/dbraw/zinc/04/31/01/569043101.db2.gz ARNVVUWFKOSXBX-UHFFFAOYSA-N 0 0 423.314 5.479 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnc(Br)cn21 ZINC000035511586 569043126 /nfs/dbraw/zinc/04/31/26/569043126.db2.gz QISNKFNGZRJPAG-UHFFFAOYSA-N 0 0 423.314 5.479 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnc(Br)cn21 ZINC000035511587 569043114 /nfs/dbraw/zinc/04/31/14/569043114.db2.gz UNOWCVBWUIXLGE-UHFFFAOYSA-N 0 0 423.314 5.479 50 0 HKAARN O=C1C[C@H](c2cc(Br)ccc2F)c2scc(-c3ccc(F)cc3)c2N1 ZINC000035511614 569043102 /nfs/dbraw/zinc/04/31/02/569043102.db2.gz PQRBSRYLTRGBJQ-CQSZACIVSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2scc(-c3ccc(F)cc3)c2N1 ZINC000035511615 569043133 /nfs/dbraw/zinc/04/31/33/569043133.db2.gz PQRBSRYLTRGBJQ-AWEZNQCLSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@H](c2ccc(Br)cc2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000035511616 569043103 /nfs/dbraw/zinc/04/31/03/569043103.db2.gz AROIURVRWUUJIN-OAHLLOKOSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2ccc(Br)cc2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000035511617 569043116 /nfs/dbraw/zinc/04/31/16/569043116.db2.gz AROIURVRWUUJIN-HNNXBMFYSA-N 0 0 402.288 5.791 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000035511809 569043115 /nfs/dbraw/zinc/04/31/15/569043115.db2.gz MBPQRGNRRCSYCS-UHFFFAOYSA-N 0 0 404.558 5.509 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000035511814 569043141 /nfs/dbraw/zinc/04/31/41/569043141.db2.gz YIYUFSXZKFNQLC-UHFFFAOYSA-N 0 0 400.526 5.160 50 0 HKAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000035511939 569043174 /nfs/dbraw/zinc/04/31/74/569043174.db2.gz ACUYOUHHQUCTDT-GOSISDBHSA-N 0 0 413.521 5.162 50 0 HKAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000035511941 569043154 /nfs/dbraw/zinc/04/31/54/569043154.db2.gz ACUYOUHHQUCTDT-SFHVURJKSA-N 0 0 413.521 5.162 50 0 HKAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035511945 569043145 /nfs/dbraw/zinc/04/31/45/569043145.db2.gz CRTNEHRAWONZIX-UHFFFAOYSA-N 0 0 413.521 5.082 50 0 HKAARN CCOc1c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2sc1C(=O)OC ZINC000035513022 569043232 /nfs/dbraw/zinc/04/32/32/569043232.db2.gz GUAHHVSWVTXYMT-UHFFFAOYSA-N 0 0 404.875 5.384 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000035514186 569043292 /nfs/dbraw/zinc/04/32/92/569043292.db2.gz VOLWTMBWMKXOGA-UHFFFAOYSA-N 0 0 420.944 5.472 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000035514191 569043291 /nfs/dbraw/zinc/04/32/91/569043291.db2.gz WPULZGWKXLJBKB-UHFFFAOYSA-N 0 0 420.944 5.472 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)nc2)c1 ZINC000035514250 569043305 /nfs/dbraw/zinc/04/33/05/569043305.db2.gz FWBXYCKCTNLNOE-UHFFFAOYSA-N 0 0 424.460 5.177 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514271 569043262 /nfs/dbraw/zinc/04/32/62/569043262.db2.gz VGGURPASMXCECY-UHFFFAOYSA-N 0 0 416.500 5.647 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514279 569043256 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CCOc1ccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)cc1 ZINC000035536386 569043535 /nfs/dbraw/zinc/04/35/35/569043535.db2.gz QSFFKZZBJJNXIO-UHFFFAOYSA-N 0 0 401.260 5.064 50 0 HKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cccc(Cl)c1C ZINC000035536390 569043554 /nfs/dbraw/zinc/04/35/54/569043554.db2.gz XOEIDBOJSMJHJZ-UHFFFAOYSA-N 0 0 405.679 5.627 50 0 HKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035536392 569043566 /nfs/dbraw/zinc/04/35/66/569043566.db2.gz NFDIDPSJHIZZGD-UHFFFAOYSA-N 0 0 405.679 5.627 50 0 HKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000035536404 569043619 /nfs/dbraw/zinc/04/36/19/569043619.db2.gz YXGZRJKZHMHWCA-UHFFFAOYSA-N 0 0 405.679 5.627 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536434 569043628 /nfs/dbraw/zinc/04/36/28/569043628.db2.gz YNVYYBRRHUVKMM-UHFFFAOYSA-N 0 0 421.678 5.327 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536438 569043642 /nfs/dbraw/zinc/04/36/42/569043642.db2.gz DYXUVMSRLPHBJQ-UHFFFAOYSA-N 0 0 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558793415 /nfs/dbraw/zinc/79/34/15/558793415.db2.gz PWLWXTYXCKFMKI-INIZCTEOSA-N 0 0 415.449 5.029 50 0 HKAARN COc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2)cc1 ZINC000035557012 558793434 /nfs/dbraw/zinc/79/34/34/558793434.db2.gz PWLWXTYXCKFMKI-MRXNPFEDSA-N 0 0 415.449 5.029 50 0 HKAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c(Cl)c1 ZINC000035557486 569044740 /nfs/dbraw/zinc/04/47/40/569044740.db2.gz MZNAQYNCGXQSOZ-UHFFFAOYSA-N 0 0 423.947 5.218 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCCc4ccccc4)n3)o2)cc1 ZINC000035558536 569044863 /nfs/dbraw/zinc/04/48/63/569044863.db2.gz KKQHLUYMIBRXFL-UHFFFAOYSA-N 0 0 407.477 5.310 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(C)cc4)n3)o2)cc1 ZINC000035560732 569044903 /nfs/dbraw/zinc/04/49/03/569044903.db2.gz ZLQFKKUKLBDMTM-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCCc4ccccc4)n3)o2)cc1 ZINC000035560758 569044886 /nfs/dbraw/zinc/04/48/86/569044886.db2.gz CFZGDQMRKPIMKQ-UHFFFAOYSA-N 0 0 423.476 5.010 50 0 HKAARN Cc1ccc(CCNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035560774 569044919 /nfs/dbraw/zinc/04/49/19/569044919.db2.gz ZVCRAJPSYDFIJS-UHFFFAOYSA-N 0 0 407.477 5.310 50 0 HKAARN C[C@@H](CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21)c1ccccc1 ZINC000035560776 569044969 /nfs/dbraw/zinc/04/49/69/569044969.db2.gz LBHYIHMIUSLCPC-KRWDZBQOSA-N 0 0 407.477 5.562 50 0 HKAARN C[C@H](CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21)c1ccccc1 ZINC000035560778 569044992 /nfs/dbraw/zinc/04/49/92/569044992.db2.gz LBHYIHMIUSLCPC-QGZVFWFLSA-N 0 0 407.477 5.562 50 0 HKAARN CCOc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035560786 569044962 /nfs/dbraw/zinc/04/49/62/569044962.db2.gz LUHFXZFYCXMTNY-UHFFFAOYSA-N 0 0 423.476 5.358 50 0 HKAARN CCCSCCCNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000035560788 569044973 /nfs/dbraw/zinc/04/49/73/569044973.db2.gz XJQBVFWZWDZHBU-UHFFFAOYSA-N 0 0 405.527 5.292 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccc(C)c4)n3)o2)cc1 ZINC000035560796 569044985 /nfs/dbraw/zinc/04/49/85/569044985.db2.gz HSYWZBOULVDRNS-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4C)n3)o2)cc1 ZINC000035560805 569044942 /nfs/dbraw/zinc/04/49/42/569044942.db2.gz WVSKAWAKNBAORM-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN COc1ccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035560820 569044974 /nfs/dbraw/zinc/04/49/74/569044974.db2.gz HAQIIQNLVTVVDC-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN Cc1ccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035560822 569044993 /nfs/dbraw/zinc/04/49/93/569044993.db2.gz DGHDZQWWDKUTBI-UHFFFAOYSA-N 0 0 407.477 5.576 50 0 HKAARN COc1ccccc1CNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035560836 569044989 /nfs/dbraw/zinc/04/49/89/569044989.db2.gz KZWKEQFFWWPBOV-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN COc1cccc(CNc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)c1 ZINC000035560838 569044955 /nfs/dbraw/zinc/04/49/55/569044955.db2.gz GZKITSAAOKKNBS-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(F)cc4)n3)o2)c1 ZINC000035560840 569044983 /nfs/dbraw/zinc/04/49/83/569044983.db2.gz MFHSNIIYRNDLQR-UHFFFAOYSA-N 0 0 411.440 5.406 50 0 HKAARN CCCSCCCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035560860 569044994 /nfs/dbraw/zinc/04/49/94/569044994.db2.gz KLPWAQDEGPBNCO-UHFFFAOYSA-N 0 0 419.554 5.600 50 0 HKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4C)n3)o2)c1 ZINC000035560862 569044986 /nfs/dbraw/zinc/04/49/86/569044986.db2.gz PAQRVWXQIKKPTD-UHFFFAOYSA-N 0 0 407.477 5.576 50 0 HKAARN Cc1cccc(CNc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)c1 ZINC000035560868 569044952 /nfs/dbraw/zinc/04/49/52/569044952.db2.gz KEZDPLCINCTDSD-UHFFFAOYSA-N 0 0 411.440 5.406 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N(C)Cc4ccccc4)n3)o2)cc1 ZINC000035560878 569044958 /nfs/dbraw/zinc/04/49/58/569044958.db2.gz OWMUTVSWOGEQEX-UHFFFAOYSA-N 0 0 407.477 5.292 50 0 HKAARN Cc1ccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035560880 569044959 /nfs/dbraw/zinc/04/49/59/569044959.db2.gz AUAZSXGJLCFIRE-UHFFFAOYSA-N 0 0 407.477 5.576 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccc(C)c4)n3)o2)cc1 ZINC000035560893 569044953 /nfs/dbraw/zinc/04/49/53/569044953.db2.gz WPBLDLMDMLRRFK-UHFFFAOYSA-N 0 0 407.477 5.576 50 0 HKAARN COc1ccccc1CNc1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc21 ZINC000035560899 569044960 /nfs/dbraw/zinc/04/49/60/569044960.db2.gz CDBKTJRNJCQHBR-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN COc1cccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)c1 ZINC000035560901 569044961 /nfs/dbraw/zinc/04/49/61/569044961.db2.gz CDOLCFZJMVHHKU-UHFFFAOYSA-N 0 0 423.476 5.276 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc(F)cc4)n3)o2)cc1 ZINC000035560903 569044944 /nfs/dbraw/zinc/04/49/44/569044944.db2.gz ZVWCMSVCIJBEOH-UHFFFAOYSA-N 0 0 411.440 5.406 50 0 HKAARN CCCSCCCNc1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc21 ZINC000035560930 569044987 /nfs/dbraw/zinc/04/49/87/569044987.db2.gz OXMMOSQUHBFHKM-UHFFFAOYSA-N 0 0 419.554 5.600 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4C)n3)o2)cc1 ZINC000035560932 569044968 /nfs/dbraw/zinc/04/49/68/569044968.db2.gz XMXSKUJVODAPFY-UHFFFAOYSA-N 0 0 407.477 5.576 50 0 HKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccc(F)c4)n3)o2)cc1 ZINC000035560934 569044977 /nfs/dbraw/zinc/04/49/77/569044977.db2.gz SQNKSPJREQUMRH-UHFFFAOYSA-N 0 0 411.440 5.406 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035561683 558793402 /nfs/dbraw/zinc/79/34/02/558793402.db2.gz MFTKZSJLCROHSV-HXUWFJFHSA-N 0 0 400.906 5.666 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035561684 558793396 /nfs/dbraw/zinc/79/33/96/558793396.db2.gz MFTKZSJLCROHSV-FQEVSTJZSA-N 0 0 400.906 5.666 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1 ZINC000035561685 558793458 /nfs/dbraw/zinc/79/34/58/558793458.db2.gz JCMADOXGFLXRPD-HXUWFJFHSA-N 0 0 400.906 5.666 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1 ZINC000035561686 558793345 /nfs/dbraw/zinc/79/33/45/558793345.db2.gz JCMADOXGFLXRPD-FQEVSTJZSA-N 0 0 400.906 5.666 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035561701 558793577 /nfs/dbraw/zinc/79/35/77/558793577.db2.gz OPMJFCMSLUKDCW-OAQYLSRUSA-N 0 0 414.933 5.595 50 0 HKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035561702 558793636 /nfs/dbraw/zinc/79/36/36/558793636.db2.gz OPMJFCMSLUKDCW-NRFANRHFSA-N 0 0 414.933 5.595 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000035561803 558793598 /nfs/dbraw/zinc/79/35/98/558793598.db2.gz MTNUCNZIUNYVLJ-CNBHCMJISA-N 0 0 420.981 5.336 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000035561804 558793593 /nfs/dbraw/zinc/79/35/93/558793593.db2.gz MTNUCNZIUNYVLJ-XTXLOEGASA-N 0 0 420.981 5.336 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000035561805 558793611 /nfs/dbraw/zinc/79/36/11/558793611.db2.gz CJEPVTFVDLUGQB-WIXQSORDSA-N 0 0 420.981 5.336 50 0 HKAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2ccccc2Cl)CC1 ZINC000035561806 558793562 /nfs/dbraw/zinc/79/35/62/558793562.db2.gz CJEPVTFVDLUGQB-NGICGMGXSA-N 0 0 420.981 5.336 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)CCCCC1 ZINC000035561815 558793609 /nfs/dbraw/zinc/79/36/09/558793609.db2.gz XRYVJCRHKGFJER-OAQYLSRUSA-N 0 0 400.563 5.278 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)CCCCC1 ZINC000035561816 558793638 /nfs/dbraw/zinc/79/36/38/558793638.db2.gz XRYVJCRHKGFJER-NRFANRHFSA-N 0 0 400.563 5.278 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CCCCC1 ZINC000035561817 558793556 /nfs/dbraw/zinc/79/35/56/558793556.db2.gz ODTASXKASZCEBC-OAQYLSRUSA-N 0 0 400.563 5.278 50 0 HKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)CCCCC1 ZINC000035561818 558793567 /nfs/dbraw/zinc/79/35/67/558793567.db2.gz ODTASXKASZCEBC-NRFANRHFSA-N 0 0 400.563 5.278 50 0 HKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccccc32)cc1 ZINC000035562573 569045116 /nfs/dbraw/zinc/04/51/16/569045116.db2.gz CUEUSZVLGIRBAK-HSZRJFAPSA-N 0 0 411.549 5.699 50 0 HKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccccc32)cc1 ZINC000035562574 569045154 /nfs/dbraw/zinc/04/51/54/569045154.db2.gz CUEUSZVLGIRBAK-QHCPKHFHSA-N 0 0 411.549 5.699 50 0 HKAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1 ZINC000035562575 569045157 /nfs/dbraw/zinc/04/51/57/569045157.db2.gz RAAKGLFZFUBNDS-GOSISDBHSA-N 0 0 402.494 5.390 50 0 HKAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1 ZINC000035562576 569045133 /nfs/dbraw/zinc/04/51/33/569045133.db2.gz RAAKGLFZFUBNDS-SFHVURJKSA-N 0 0 402.494 5.390 50 0 HKAARN CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cccc(Cl)c1 ZINC000035562580 569045115 /nfs/dbraw/zinc/04/51/15/569045115.db2.gz FSTFTGPTLWYHLO-UHFFFAOYSA-N 0 0 408.885 5.265 50 0 HKAARN CCOc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1cccc(Cl)c1 ZINC000035562594 569045136 /nfs/dbraw/zinc/04/51/36/569045136.db2.gz NXXGEBOHAHUDTD-UHFFFAOYSA-N 0 0 419.912 5.067 50 0 HKAARN CCCCCc1ccc(C(=O)CSc2nnc(NC(=O)C3CCCC3)s2)cc1 ZINC000035563562 569045143 /nfs/dbraw/zinc/04/51/43/569045143.db2.gz CGJJWBOZKYJRAJ-UHFFFAOYSA-N 0 0 417.600 5.375 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1-c1ccccc1 ZINC000035563628 569045122 /nfs/dbraw/zinc/04/51/22/569045122.db2.gz DUYMFZCWWCXTLN-UHFFFAOYSA-N 0 0 412.436 5.697 50 0 HKAARN Cn1nc2nc(NC3CCCCC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000035578552 569046110 /nfs/dbraw/zinc/04/61/10/569046110.db2.gz XAVLELSPOTUPCA-UHFFFAOYSA-N 0 0 414.513 5.149 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035581042 569046105 /nfs/dbraw/zinc/04/61/05/569046105.db2.gz UKUTVZZBLMWKBI-BTYIYWSLSA-N 0 0 405.523 5.091 50 0 HKAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035581044 569046099 /nfs/dbraw/zinc/04/60/99/569046099.db2.gz UKUTVZZBLMWKBI-YCRPNKLZSA-N 0 0 405.523 5.091 50 0 HKAARN O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccc(C(F)(F)F)cc1 ZINC000035586247 569046135 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COc1ccc(C)cc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1 ZINC000035596755 569045528 /nfs/dbraw/zinc/04/55/28/569045528.db2.gz MXYRKYFLPICQJB-UHFFFAOYSA-N 0 0 405.426 5.057 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(-n2cccn2)n1 ZINC000035597384 569045694 /nfs/dbraw/zinc/04/56/94/569045694.db2.gz YKQGYJLIJRWFEK-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 ZINC000035597390 569045714 /nfs/dbraw/zinc/04/57/14/569045714.db2.gz NPLPMOVSUMDISS-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c(Cl)c1 ZINC000035597392 569045731 /nfs/dbraw/zinc/04/57/31/569045731.db2.gz ZRDYONKWTSEECF-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN CSc1ccc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)cc1 ZINC000035597611 569045753 /nfs/dbraw/zinc/04/57/53/569045753.db2.gz IYPTZZLRIHRVMO-UHFFFAOYSA-N 0 0 422.579 5.179 50 0 HKAARN Cc1cc(C)n(CCN(C(=O)c2ccco2)c2nc3c(cc(Cl)cc3C)s2)n1 ZINC000035597629 569045803 /nfs/dbraw/zinc/04/58/03/569045803.db2.gz 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ZINC000035606546 558794172 /nfs/dbraw/zinc/79/41/72/558794172.db2.gz PPNKDJKYNLDVTR-UHFFFAOYSA-N 0 0 415.390 6.290 50 0 HKAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2ccc(Cl)cn21 ZINC000035606562 558794139 /nfs/dbraw/zinc/79/41/39/558794139.db2.gz WGEWLKACLHIREI-UHFFFAOYSA-N 0 0 407.901 5.983 50 0 HKAARN CC(C)(C)c1cc(-c2nc3cnccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000035606587 558794136 /nfs/dbraw/zinc/79/41/36/558794136.db2.gz IHFCLNHWXSAMQL-UHFFFAOYSA-N 0 0 414.553 6.441 50 0 HKAARN Cc1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3cnccn32)c(C)c1 ZINC000035606605 558794050 /nfs/dbraw/zinc/79/40/50/558794050.db2.gz XNKFRCWFHHXZHR-UHFFFAOYSA-N 0 0 414.553 6.709 50 0 HKAARN CC(C)c1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc(C(C)C)c1O ZINC000035615722 558794191 /nfs/dbraw/zinc/79/41/91/558794191.db2.gz YHLUAOVQKINYMU-UHFFFAOYSA-N 0 0 419.956 7.351 50 0 HKAARN CC(C)(C)c1cc(-c2nc3ccccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000035615725 558794203 /nfs/dbraw/zinc/79/42/03/558794203.db2.gz SDYJTWMHYSDHCK-UHFFFAOYSA-N 0 0 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Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc1 ZINC000035615931 558794499 /nfs/dbraw/zinc/79/44/99/558794499.db2.gz FJXMCIPWYJHDFE-UHFFFAOYSA-N 0 0 414.690 5.866 50 0 HKAARN COc1cc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615933 558794417 /nfs/dbraw/zinc/79/44/17/558794417.db2.gz XWDOUVMEMSDLPO-UHFFFAOYSA-N 0 0 410.271 5.222 50 0 HKAARN COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615955 558794389 /nfs/dbraw/zinc/79/43/89/558794389.db2.gz BIKMGGBJXZIOGB-UHFFFAOYSA-N 0 0 424.298 5.530 50 0 HKAARN COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(Br)cc2)ccc1O ZINC000035615956 558794464 /nfs/dbraw/zinc/79/44/64/558794464.db2.gz KGPGOPJLIKWEIK-UHFFFAOYSA-N 0 0 424.298 5.530 50 0 HKAARN COc1ccc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)cc1OC ZINC000035615991 558794516 /nfs/dbraw/zinc/79/45/16/558794516.db2.gz VVKNXRLORPXAGT-UHFFFAOYSA-N 0 0 424.298 5.525 50 0 HKAARN Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc(Br)cc1 ZINC000035615993 558794438 /nfs/dbraw/zinc/79/44/38/558794438.db2.gz AFOYJNVVBWPFSS-UHFFFAOYSA-N 0 0 414.690 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ZINC000035636065 132802815 /nfs/dbraw/zinc/80/28/15/132802815.db2.gz AHFZDNYNXFMRFQ-UHFFFAOYSA-N 0 0 409.961 5.347 50 0 in-vitro HKAARN Cc1ccc(-c2c3cc4c(cc3[nH]c(=O)c2Oc2ccc(Cl)cc2)OCCO4)cc1 ZINC000035655350 569046908 /nfs/dbraw/zinc/04/69/08/569046908.db2.gz XRJWMQVJOSCALD-UHFFFAOYSA-N 0 0 419.864 5.720 50 0 HKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671265 569048508 /nfs/dbraw/zinc/04/85/08/569048508.db2.gz FOHJGJIJUIAZKD-UHFFFAOYSA-N 0 0 423.925 6.296 50 0 HKAARN Cc1sc(NC(=O)c2ccc(F)cc2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671267 569048467 /nfs/dbraw/zinc/04/84/67/569048467.db2.gz GTPWFTLAHUIASA-UHFFFAOYSA-N 0 0 407.470 5.782 50 0 HKAARN Cc1ccc(-c2noc(-c3c4c(sc3NC(=O)c3ccco3)CCCC4)n2)cc1 ZINC000035671276 569048492 /nfs/dbraw/zinc/04/84/92/569048492.db2.gz RSPSTHYMWCWQOL-UHFFFAOYSA-N 0 0 405.479 5.498 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2Cl)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671326 569048480 /nfs/dbraw/zinc/04/84/80/569048480.db2.gz 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ZINC000035671463 569048506 /nfs/dbraw/zinc/04/85/06/569048506.db2.gz FFYJURHEWKEPCG-UHFFFAOYSA-N 0 0 408.508 5.046 50 0 HKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 ZINC000035671465 569048468 /nfs/dbraw/zinc/04/84/68/569048468.db2.gz IXHPBNALOLEKGG-UHFFFAOYSA-N 0 0 422.535 5.355 50 0 HKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2C)s1 ZINC000035671467 569048516 /nfs/dbraw/zinc/04/85/16/569048516.db2.gz QMFVDXUEMAAOAO-UHFFFAOYSA-N 0 0 422.535 5.355 50 0 HKAARN CC(=O)Nc1sc(NC(=O)COc2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000035671497 569048514 /nfs/dbraw/zinc/04/85/14/569048514.db2.gz ZVNOELLRGYEOEG-UHFFFAOYSA-N 0 0 423.538 5.218 50 0 HKAARN CC(=O)Nc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000035671534 569048485 /nfs/dbraw/zinc/04/84/85/569048485.db2.gz BSSLKPMSLDFEPM-UHFFFAOYSA-N 0 0 407.539 5.627 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1Cl ZINC000035671693 569048481 /nfs/dbraw/zinc/04/84/81/569048481.db2.gz BMYYIOWREVQQQP-UHFFFAOYSA-N 0 0 424.840 5.183 50 0 HKAARN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035671736 569048515 /nfs/dbraw/zinc/04/85/15/569048515.db2.gz KCZDDXBFOQRMHS-UHFFFAOYSA-N 0 0 413.502 5.623 50 0 HKAARN Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)c1 ZINC000035671738 569048466 /nfs/dbraw/zinc/04/84/66/569048466.db2.gz BYJXDSGUWAZIHA-UHFFFAOYSA-N 0 0 413.502 5.623 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccc(F)cc1 ZINC000035671748 569048471 /nfs/dbraw/zinc/04/84/71/569048471.db2.gz ZHFWHEDEWLRWDS-UHFFFAOYSA-N 0 0 417.465 5.454 50 0 HKAARN O=C(Nc1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1)c1ccccc1 ZINC000035671782 569048518 /nfs/dbraw/zinc/04/85/18/569048518.db2.gz ZHYBMXDAQGXMPJ-UHFFFAOYSA-N 0 0 417.465 5.454 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cccs1 ZINC000035671793 569048520 /nfs/dbraw/zinc/04/85/20/569048520.db2.gz HDPCKGCNWFPCLV-UHFFFAOYSA-N 0 0 405.504 5.376 50 0 HKAARN CCCCc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 ZINC000035672148 569048566 /nfs/dbraw/zinc/04/85/66/569048566.db2.gz RIVIDQVDYZQKGA-UHFFFAOYSA-N 0 0 423.582 5.867 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncn(C3CCCC3)c(=O)c12 ZINC000035672168 569048561 /nfs/dbraw/zinc/04/85/61/569048561.db2.gz PPBYWFNDOBPXHL-UHFFFAOYSA-N 0 0 401.919 5.096 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncn(C3CCCCC3)c(=O)c12 ZINC000035672174 569048556 /nfs/dbraw/zinc/04/85/56/569048556.db2.gz BINPMKYGXUASOX-UHFFFAOYSA-N 0 0 415.946 5.486 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000035672192 569048540 /nfs/dbraw/zinc/04/85/40/569048540.db2.gz DMGYJNOLUKFJQZ-UHFFFAOYSA-N 0 0 423.925 5.029 50 0 HKAARN Cc1nc(NC(=O)/C=C/c2ccc(F)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000035672268 569048570 /nfs/dbraw/zinc/04/85/70/569048570.db2.gz HQMYYAOAXPUZTC-RMKNXTFCSA-N 0 0 412.471 5.021 50 0 HKAARN Cc1oc2ncn(C3CCCCC3)c(=O)c2c1C(=O)Nc1cccc2ccccc21 ZINC000035672376 569048534 /nfs/dbraw/zinc/04/85/34/569048534.db2.gz APXRJVQFKJCULP-UHFFFAOYSA-N 0 0 401.466 5.209 50 0 HKAARN CCCCc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c32)cc1 ZINC000035672396 569048532 /nfs/dbraw/zinc/04/85/32/569048532.db2.gz ZAQZQRZFHOLJOW-UHFFFAOYSA-N 0 0 407.514 5.398 50 0 HKAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(C3CCCCC3)c(=O)c12 ZINC000035672408 569048546 /nfs/dbraw/zinc/04/85/46/569048546.db2.gz VJFQDNYNBVHTPV-UHFFFAOYSA-N 0 0 401.919 5.177 50 0 HKAARN COc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1Cl ZINC000035673029 569048634 /nfs/dbraw/zinc/04/86/34/569048634.db2.gz DTHCSQHDXCMBLA-UHFFFAOYSA-N 0 0 405.281 5.163 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1C ZINC000035673052 569048582 /nfs/dbraw/zinc/04/85/82/569048582.db2.gz QQRYGIANEUOGJX-UHFFFAOYSA-N 0 0 401.466 5.119 50 0 HKAARN NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccccc1Cl ZINC000035679185 569048827 /nfs/dbraw/zinc/04/88/27/569048827.db2.gz LMOUGHOYNMSSEK-UHFFFAOYSA-N 0 0 421.856 5.116 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc2ncsc2c1 ZINC000035681636 569048860 /nfs/dbraw/zinc/04/88/60/569048860.db2.gz IYJSMVCYXKGSFS-HSZRJFAPSA-N 0 0 421.449 5.400 50 0 HKAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc2ncsc2c1 ZINC000035681637 569048959 /nfs/dbraw/zinc/04/89/59/569048959.db2.gz IYJSMVCYXKGSFS-QHCPKHFHSA-N 0 0 421.449 5.400 50 0 HKAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035681739 569049019 /nfs/dbraw/zinc/04/90/19/569049019.db2.gz DAGNWCBQXDJGTL-UHFFFAOYSA-N 0 0 415.198 6.228 50 0 HKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035681767 569049008 /nfs/dbraw/zinc/04/90/08/569049008.db2.gz WBCFGOXZGMACQY-UHFFFAOYSA-N 0 0 407.857 5.156 50 0 HKAARN Cc1ccc(-c2ncc(Sc3n[nH]c(-c4ccc(Br)cc4)n3)o2)cc1 ZINC000035681811 569048975 /nfs/dbraw/zinc/04/89/75/569048975.db2.gz XKPNHDKXMREQMF-UHFFFAOYSA-N 0 0 413.300 5.349 50 0 HKAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 ZINC000035681837 569049001 /nfs/dbraw/zinc/04/90/01/569049001.db2.gz ZLUKXYHACXPTCL-UHFFFAOYSA-N 0 0 413.502 5.623 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(C)cc3)ccc2c1N ZINC000035682592 569048997 /nfs/dbraw/zinc/04/89/97/569048997.db2.gz SBMNHCKNFZXTQK-UHFFFAOYSA-N 0 0 403.507 5.505 50 0 HKAARN Cc1ccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)cc1C ZINC000035682691 569048986 /nfs/dbraw/zinc/04/89/86/569048986.db2.gz UGLRYEXNIXETSJ-UHFFFAOYSA-N 0 0 421.610 5.781 50 0 HKAARN COc1cccc(-c2csc(-c3cc(NC(=O)c4ccc(C)c(C)c4)n(C)n3)n2)c1 ZINC000035683058 569048980 /nfs/dbraw/zinc/04/89/80/569048980.db2.gz SNSKIAJOEHJVPA-UHFFFAOYSA-N 0 0 418.522 5.088 50 0 HKAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000035684323 569049091 /nfs/dbraw/zinc/04/90/91/569049091.db2.gz FCJWQVILHBKUBF-MRXNPFEDSA-N 0 0 414.387 5.049 50 0 HKAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000035684324 569049122 /nfs/dbraw/zinc/04/91/22/569049122.db2.gz FCJWQVILHBKUBF-INIZCTEOSA-N 0 0 414.387 5.049 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684664 569049496 /nfs/dbraw/zinc/04/94/96/569049496.db2.gz DGPKKSHCSHONBP-MRXNPFEDSA-N 0 0 401.253 5.028 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684666 569049492 /nfs/dbraw/zinc/04/94/92/569049492.db2.gz DGPKKSHCSHONBP-INIZCTEOSA-N 0 0 401.253 5.028 50 0 HKAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684823 569050046 /nfs/dbraw/zinc/05/00/46/569050046.db2.gz SNMHERIOLMVQMN-MRXNPFEDSA-N 0 0 414.387 5.049 50 0 HKAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684825 569050050 /nfs/dbraw/zinc/05/00/50/569050050.db2.gz SNMHERIOLMVQMN-INIZCTEOSA-N 0 0 414.387 5.049 50 0 HKAARN Fc1ccc(-c2noc(COc3ncnc4scc(-c5ccccc5)c43)n2)cc1 ZINC000035684940 569049977 /nfs/dbraw/zinc/04/99/77/569049977.db2.gz XYZBWCUVOXJXMT-UHFFFAOYSA-N 0 0 404.426 5.126 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685039 569050258 /nfs/dbraw/zinc/05/02/58/569050258.db2.gz VVMDZJZIYRGIHT-HNNXBMFYSA-N 0 0 419.243 5.168 50 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569050719 /nfs/dbraw/zinc/05/07/19/569050719.db2.gz BVSGEMLDJADSDU-HYBUGGRVSA-N 0 0 421.585 5.013 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035688013 569050717 /nfs/dbraw/zinc/05/07/17/569050717.db2.gz BVSGEMLDJADSDU-GBXCKJPGSA-N 0 0 421.585 5.013 50 0 HKAARN COc1cc(CN(CC(C)C)C(=O)NC2CCCCC2)ccc1OCc1ccccc1 ZINC000035688035 569050705 /nfs/dbraw/zinc/05/07/05/569050705.db2.gz UMKCFUWOTUJVDI-UHFFFAOYSA-N 0 0 424.585 5.775 50 0 HKAARN CCCn1c(SCCNC(=O)CC(C)C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000035689654 569052216 /nfs/dbraw/zinc/05/22/16/569052216.db2.gz LDDZXLQLCOFRQA-UHFFFAOYSA-N 0 0 421.610 5.882 50 0 HKAARN CCCNC(=O)CCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1CCC ZINC000035689690 569052236 /nfs/dbraw/zinc/05/22/36/569052236.db2.gz YAQXJDGSLZIEQU-UHFFFAOYSA-N 0 0 421.610 6.026 50 0 HKAARN CCCc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)n1 ZINC000035689904 569052213 /nfs/dbraw/zinc/05/22/13/569052213.db2.gz AIOCAQXKFQLMQV-UHFFFAOYSA-N 0 0 409.700 6.004 50 0 HKAARN CC(C)(C)c1cc(OS(=O)(=O)c2cccc3ccccc32)n(-c2cccc(F)c2)n1 ZINC000035690065 569052200 /nfs/dbraw/zinc/05/22/00/569052200.db2.gz COWJLPOIZXBYIL-UHFFFAOYSA-N 0 0 424.497 5.230 50 0 HKAARN CC(C)OC(=O)[C@@H]1CS[C@H](c2cccc(Cl)c2)N1C(=O)c1ccc(Cl)cc1 ZINC000035690345 559187498 /nfs/dbraw/zinc/18/74/98/559187498.db2.gz QGBBYKASRCOJKJ-PKOBYXMFSA-N 0 0 424.349 5.201 50 0 HKAARN CC(C)OC(=O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1C(=O)c1ccc(Cl)cc1 ZINC000035690347 569052195 /nfs/dbraw/zinc/05/21/95/569052195.db2.gz QGBBYKASRCOJKJ-IEBWSBKVSA-N 0 0 424.349 5.201 50 0 HKAARN CC(C)OC(=O)[C@@H]1CS[C@@H](c2cccc(Cl)c2)N1C(=O)c1ccc(Cl)cc1 ZINC000035690349 569052204 /nfs/dbraw/zinc/05/22/04/569052204.db2.gz QGBBYKASRCOJKJ-HKUYNNGSSA-N 0 0 424.349 5.201 50 0 HKAARN CC(C)OC(=O)[C@H]1CS[C@@H](c2cccc(Cl)c2)N1C(=O)c1ccc(Cl)cc1 ZINC000035690351 569052193 /nfs/dbraw/zinc/05/21/93/569052193.db2.gz QGBBYKASRCOJKJ-MJGOQNOKSA-N 0 0 424.349 5.201 50 0 HKAARN CC(C)CNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C ZINC000035706161 569052674 /nfs/dbraw/zinc/05/26/74/569052674.db2.gz NFKCKVMLOFBTHP-UHFFFAOYSA-N 0 0 423.344 5.089 50 0 HKAARN CC(C)CNC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1 ZINC000035706642 569052786 /nfs/dbraw/zinc/05/27/86/569052786.db2.gz HQMHBIPMICGXPB-UHFFFAOYSA-N 0 0 421.585 5.222 50 0 HKAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707265 569052794 /nfs/dbraw/zinc/05/27/94/569052794.db2.gz CQHTUTNXUTZBSH-DTQAZKPQSA-N 0 0 417.553 5.001 50 0 HKAARN CCCCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000035708156 569052727 /nfs/dbraw/zinc/05/27/27/569052727.db2.gz KYHXRFHNGGKISJ-UHFFFAOYSA-N 0 0 418.581 6.101 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCC(C)C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000035708614 559187502 /nfs/dbraw/zinc/18/75/02/559187502.db2.gz ZSLRVVNEAKASOT-UHFFFAOYSA-N 0 0 416.352 5.849 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NC(C)C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000035708615 569052796 /nfs/dbraw/zinc/05/27/96/569052796.db2.gz KHDNFOVYACSLAJ-UHFFFAOYSA-N 0 0 402.325 5.601 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3F)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000035708710 569052840 /nfs/dbraw/zinc/05/28/40/569052840.db2.gz FLRAONLAUZCDEM-UHFFFAOYSA-N 0 0 421.859 5.593 50 0 HKAARN COc1cccc(-c2cc(C(=O)NCc3ccccc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000035708777 569052801 /nfs/dbraw/zinc/05/28/01/569052801.db2.gz RVAHZZMNUXBWDN-UHFFFAOYSA-N 0 0 411.505 5.095 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C(C)C)c1 ZINC000035718990 569053081 /nfs/dbraw/zinc/05/30/81/569053081.db2.gz YUSMQXRZKHDNAS-UHFFFAOYSA-N 0 0 422.594 6.205 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)cc1 ZINC000035719105 569053118 /nfs/dbraw/zinc/05/31/18/569053118.db2.gz GEDKZNVMVUGGAC-UHFFFAOYSA-N 0 0 422.594 6.007 50 0 HKAARN COc1ccc(-c2cc(C(=O)NC3CCCCC3)n(-c3ccccc3Cl)n2)cc1 ZINC000035725754 569053308 /nfs/dbraw/zinc/05/33/08/569053308.db2.gz HFLHEISNFBMLQY-UHFFFAOYSA-N 0 0 409.917 5.264 50 0 HKAARN Cc1ccc(-c2noc([C@@H]3CCCCN3C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000035726346 569053378 /nfs/dbraw/zinc/05/33/78/569053378.db2.gz KFVUVGIWHMMPEV-SKLOBRBISA-N 0 0 405.542 5.315 50 0 HKAARN Cc1ccc(-c2noc([C@H]3CCCCN3C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000035726348 569053426 /nfs/dbraw/zinc/05/34/26/569053426.db2.gz KFVUVGIWHMMPEV-YVXFQLMNSA-N 0 0 405.542 5.315 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(CSc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000035730071 569053675 /nfs/dbraw/zinc/05/36/75/569053675.db2.gz MNBDPNHYLVEBFB-UHFFFAOYSA-N 0 0 411.530 5.997 50 0 HKAARN CCCCCCNC(=O)c1cccc(CSc2ccc(-c3ccccc3)nn2)c1 ZINC000035730090 569053680 /nfs/dbraw/zinc/05/36/80/569053680.db2.gz BXXUQJBZMRQRNR-UHFFFAOYSA-N 0 0 405.567 5.746 50 0 HKAARN Cc1ccc(-c2ccc(SCc3ccc(C(=O)NC4CCCCC4)o3)nn2)cc1 ZINC000035730131 569053646 /nfs/dbraw/zinc/05/36/46/569053646.db2.gz GAKAUNRNWJTGJK-UHFFFAOYSA-N 0 0 407.539 5.400 50 0 HKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)cs2)c1 ZINC000035730470 569053678 /nfs/dbraw/zinc/05/36/78/569053678.db2.gz JHKADFLIYSYTIL-UHFFFAOYSA-N 0 0 419.481 5.954 50 0 HKAARN COc1cccc(Nc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cs2)c1 ZINC000035730473 569053734 /nfs/dbraw/zinc/05/37/34/569053734.db2.gz QSKOHYCEEKMUJB-UHFFFAOYSA-N 0 0 419.481 5.954 50 0 HKAARN CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000035730541 569053701 /nfs/dbraw/zinc/05/37/01/569053701.db2.gz XWXVWQSDKGLXIM-DEOSSOPVSA-N 0 0 413.521 5.532 50 0 HKAARN CCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000035730542 569053712 /nfs/dbraw/zinc/05/37/12/569053712.db2.gz XWXVWQSDKGLXIM-XMMPIXPASA-N 0 0 413.521 5.532 50 0 HKAARN CCCCCC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3CC)cc2)CC1 ZINC000035744775 569057214 /nfs/dbraw/zinc/05/72/14/569057214.db2.gz UHMYCDFLJPLCFK-UHFFFAOYSA-N 0 0 422.573 5.122 50 0 HKAARN CCCCCCc1ccc(C(=O)N(CCCC)CC(=O)Nc2ncc(C)s2)cc1 ZINC000035746282 569057245 /nfs/dbraw/zinc/05/72/45/569057245.db2.gz RTDNUVRLAQCKGN-UHFFFAOYSA-N 0 0 415.603 5.455 50 0 HKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)C2CCCCC2)C(C)(C)C)o1 ZINC000035764671 569058051 /nfs/dbraw/zinc/05/80/51/569058051.db2.gz LCHSURWLKBQTDH-UHFFFAOYSA-N 0 0 424.585 5.324 50 0 HKAARN CCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(C)(C)C ZINC000035764675 569058045 /nfs/dbraw/zinc/05/80/45/569058045.db2.gz YHLQWTOIGYUMFH-UHFFFAOYSA-N 0 0 412.574 5.324 50 0 HKAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)CC(C)(C)C)C(C)(C)C)o1 ZINC000035764677 569058019 /nfs/dbraw/zinc/05/80/19/569058019.db2.gz PFXWQKBMPTZTIO-UHFFFAOYSA-N 0 0 412.574 5.180 50 0 HKAARN CCCC[C@@H](CC)C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C ZINC000035765752 558794999 /nfs/dbraw/zinc/79/49/99/558794999.db2.gz MYGANPUNENHUGQ-JOCHJYFZSA-N 0 0 412.574 5.262 50 0 HKAARN CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C ZINC000035765754 558795017 /nfs/dbraw/zinc/79/50/17/558795017.db2.gz MYGANPUNENHUGQ-QFIPXVFZSA-N 0 0 412.574 5.262 50 0 HKAARN CCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000035765914 569058035 /nfs/dbraw/zinc/05/80/35/569058035.db2.gz VFUPIDDEQUUSBE-UHFFFAOYSA-N 0 0 412.574 5.326 50 0 HKAARN CCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(C)C ZINC000035767698 569058102 /nfs/dbraw/zinc/05/81/02/569058102.db2.gz PFMXLPQLMGSSEX-UHFFFAOYSA-N 0 0 416.537 5.155 50 0 HKAARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000035768536 569058148 /nfs/dbraw/zinc/05/81/48/569058148.db2.gz FPXYHONWDDOHNO-DEOSSOPVSA-N 0 0 412.533 6.254 50 0 HKAARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000035768537 569058162 /nfs/dbraw/zinc/05/81/62/569058162.db2.gz FPXYHONWDDOHNO-XMMPIXPASA-N 0 0 412.533 6.254 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3ccc(F)cc3)c[nH]c21 ZINC000035768556 569058188 /nfs/dbraw/zinc/05/81/88/569058188.db2.gz MZIHMRSEPUXWTB-QHCPKHFHSA-N 0 0 415.512 5.145 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccc(F)cc3)c[nH]c21 ZINC000035768557 569058144 /nfs/dbraw/zinc/05/81/44/569058144.db2.gz MZIHMRSEPUXWTB-HSZRJFAPSA-N 0 0 415.512 5.145 50 0 HKAARN CC[C@@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)C1CCC1 ZINC000035774791 569058656 /nfs/dbraw/zinc/05/86/56/569058656.db2.gz XBOMJEDPLJZEOH-LJQANCHMSA-N 0 0 412.599 5.013 50 0 HKAARN CC[C@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)C1CCC1 ZINC000035774795 559187721 /nfs/dbraw/zinc/18/77/21/559187721.db2.gz XBOMJEDPLJZEOH-IBGZPJMESA-N 0 0 412.599 5.013 50 0 HKAARN CCCCCCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccc(C)cc2)cc1 ZINC000035777715 569059156 /nfs/dbraw/zinc/05/91/56/569059156.db2.gz HXYSDRMXMZGDTR-UHFFFAOYSA-N 0 0 420.557 5.939 50 0 HKAARN CCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C1CC1 ZINC000035796668 569059576 /nfs/dbraw/zinc/05/95/76/569059576.db2.gz AHWYYEUWIPNQEQ-UHFFFAOYSA-N 0 0 412.599 5.238 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(CC)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035802458 569060486 /nfs/dbraw/zinc/06/04/86/569060486.db2.gz TXSYEVIZDHUWNF-QFIPXVFZSA-N 0 0 423.988 5.070 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N3CCN(CC)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035802460 569060475 /nfs/dbraw/zinc/06/04/75/569060475.db2.gz TXSYEVIZDHUWNF-JOCHJYFZSA-N 0 0 423.988 5.070 50 0 HKAARN CCCCCCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccccc2C)cc1 ZINC000035806473 569060727 /nfs/dbraw/zinc/06/07/27/569060727.db2.gz GTMKDBRWDJYLHB-UHFFFAOYSA-N 0 0 420.557 5.939 50 0 HKAARN CCCCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccccc2C)cc1 ZINC000035806759 569060860 /nfs/dbraw/zinc/06/08/60/569060860.db2.gz OTLYSJIMZJDBDO-UHFFFAOYSA-N 0 0 406.530 5.406 50 0 HKAARN CCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000035816114 569061423 /nfs/dbraw/zinc/06/14/23/569061423.db2.gz SEQDDMYFGJGWBE-XMMPIXPASA-N 0 0 413.583 5.714 50 0 HKAARN CCCCCCc1ccc(C(=O)N2CCS[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000035816117 569061477 /nfs/dbraw/zinc/06/14/77/569061477.db2.gz SEQDDMYFGJGWBE-DEOSSOPVSA-N 0 0 413.583 5.714 50 0 HKAARN CC[C@H](C(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000035816246 569061438 /nfs/dbraw/zinc/06/14/38/569061438.db2.gz YJWPDKHKXLXFFV-AZGAKELHSA-N 0 0 417.574 6.033 50 0 HKAARN CC[C@@H](C(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000035816249 569061467 /nfs/dbraw/zinc/06/14/67/569061467.db2.gz YJWPDKHKXLXFFV-AOYPEHQESA-N 0 0 417.574 6.033 50 0 HKAARN CC[C@H](C(=O)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000035816251 569061455 /nfs/dbraw/zinc/06/14/55/569061455.db2.gz YJWPDKHKXLXFFV-AHWVRZQESA-N 0 0 417.574 6.033 50 0 HKAARN CC[C@@H](C(=O)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000035816254 569061433 /nfs/dbraw/zinc/06/14/33/569061433.db2.gz YJWPDKHKXLXFFV-RSXGOPAZSA-N 0 0 417.574 6.033 50 0 HKAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035818795 569061435 /nfs/dbraw/zinc/06/14/35/569061435.db2.gz FRBUYGFZATXPJP-DEOSSOPVSA-N 0 0 417.553 5.821 50 0 HKAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035818798 569061445 /nfs/dbraw/zinc/06/14/45/569061445.db2.gz FRBUYGFZATXPJP-XMMPIXPASA-N 0 0 417.553 5.821 50 0 HKAARN CCC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1 ZINC000035829770 569061899 /nfs/dbraw/zinc/06/18/99/569061899.db2.gz RXUHOSVOVRRBEL-UHFFFAOYSA-N 0 0 407.514 5.183 50 0 HKAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000035830275 569061894 /nfs/dbraw/zinc/06/18/94/569061894.db2.gz YXDRQDOOKJKZQO-UHFFFAOYSA-N 0 0 416.521 5.128 50 0 HKAARN Fc1ccccc1CSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 ZINC000035839965 569062263 /nfs/dbraw/zinc/06/22/63/569062263.db2.gz VEMCFTRNSWZXSN-UHFFFAOYSA-N 0 0 419.403 5.978 50 0 HKAARN Fc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035839972 569062271 /nfs/dbraw/zinc/06/22/71/569062271.db2.gz LJVNCIOTVUQKTC-UHFFFAOYSA-N 0 0 419.403 5.978 50 0 HKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2c(F)cccc2Cl)c1 ZINC000035840033 569062264 /nfs/dbraw/zinc/06/22/64/569062264.db2.gz ILGREXSJYAGPJR-UHFFFAOYSA-N 0 0 423.944 6.251 50 0 HKAARN COc1ccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000035840042 569062241 /nfs/dbraw/zinc/06/22/41/569062241.db2.gz ZETGVZHUAMUPPD-UHFFFAOYSA-N 0 0 421.953 5.812 50 0 HKAARN COc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1 ZINC000035840149 569062247 /nfs/dbraw/zinc/06/22/47/569062247.db2.gz KXFQUWOPVJGXAA-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN COc1cccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccc(C)cc2)c1 ZINC000035840153 569062235 /nfs/dbraw/zinc/06/22/35/569062235.db2.gz DVRXVIUYIYTXJF-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN COc1cccc(-c2nnc(SCc3ccc(F)c(F)c3)n2-c2ccc(C)cc2)c1 ZINC000035840156 569062270 /nfs/dbraw/zinc/06/22/70/569062270.db2.gz FWJGKKNFABEXTP-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN COc1cccc(-c2nnc(SCc3cc(F)ccc3F)n2-c2ccc(C)cc2)c1 ZINC000035840163 569062227 /nfs/dbraw/zinc/06/22/27/569062227.db2.gz LTHWTIOXLHXWBH-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN Fc1cccc(F)c1CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 ZINC000035840188 569062265 /nfs/dbraw/zinc/06/22/65/569062265.db2.gz YRXJBBNSXAAQOS-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1F ZINC000035840191 569062226 /nfs/dbraw/zinc/06/22/26/569062226.db2.gz NZFHQKWZAJAGLU-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c(F)c1 ZINC000035840199 569062238 /nfs/dbraw/zinc/06/22/38/569062238.db2.gz LJVUBQGNIWYUEQ-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN Fc1ccc(F)c(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1 ZINC000035840206 569062245 /nfs/dbraw/zinc/06/22/45/569062245.db2.gz IHKPPBOWNWEONK-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN COc1ccccc1-n1c(SCc2cccc(C)c2)nnc1-c1ccccc1Cl ZINC000035840225 569062258 /nfs/dbraw/zinc/06/22/58/569062258.db2.gz XXQWHDLCURSAKW-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035840237 569062268 /nfs/dbraw/zinc/06/22/68/569062268.db2.gz QCWNGTLXFDBOBO-UHFFFAOYSA-N 0 0 420.296 6.266 50 0 HKAARN Fc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035840241 569062267 /nfs/dbraw/zinc/06/22/67/569062267.db2.gz LERPEPHXMJWSFY-UHFFFAOYSA-N 0 0 420.296 6.266 50 0 HKAARN Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035840244 569062234 /nfs/dbraw/zinc/06/22/34/569062234.db2.gz KQJMGGGOILRJEG-UHFFFAOYSA-N 0 0 416.333 6.435 50 0 HKAARN Cc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035840255 569062272 /nfs/dbraw/zinc/06/22/72/569062272.db2.gz WPOKACJJUKCWHP-UHFFFAOYSA-N 0 0 416.333 6.435 50 0 HKAARN Fc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035840258 569062255 /nfs/dbraw/zinc/06/22/55/569062255.db2.gz QGNXZICMQFANIS-UHFFFAOYSA-N 0 0 420.296 6.266 50 0 HKAARN Cc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035840283 569062228 /nfs/dbraw/zinc/06/22/28/569062228.db2.gz AEDLYOWQXRAHNI-UHFFFAOYSA-N 0 0 416.333 6.435 50 0 HKAARN Fc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2-c2ccco2)cc1 ZINC000035840289 569062242 /nfs/dbraw/zinc/06/22/42/569062242.db2.gz RNNYAEJHNFALIH-UHFFFAOYSA-N 0 0 419.403 5.978 50 0 HKAARN Fc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 ZINC000035840291 569062221 /nfs/dbraw/zinc/06/22/21/569062221.db2.gz LZJYXCINLHYWTL-UHFFFAOYSA-N 0 0 420.296 6.266 50 0 HKAARN Fc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC000035840302 559188050 /nfs/dbraw/zinc/18/80/50/559188050.db2.gz PUKBBRDDAPYROC-UHFFFAOYSA-N 0 0 419.403 5.978 50 0 HKAARN Fc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000035840304 569062233 /nfs/dbraw/zinc/06/22/33/569062233.db2.gz WWIGEMGIBXOALP-UHFFFAOYSA-N 0 0 420.296 6.266 50 0 HKAARN Fc1cccc(F)c1CSc1nnc(-c2ccncc2)n1-c1ccccc1Cl ZINC000035840306 569062237 /nfs/dbraw/zinc/06/22/37/569062237.db2.gz IXMRZYQDFRMYMY-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN OCc1cnc(SCc2cc(F)cc(F)c2)n1Cc1ccccc1C(F)(F)F ZINC000035841284 569062383 /nfs/dbraw/zinc/06/23/83/569062383.db2.gz MHIQEIGUNMVSPU-UHFFFAOYSA-N 0 0 414.399 5.013 50 0 HKAARN OCc1cnc(SCc2c(F)cccc2F)n1Cc1cccc(C(F)(F)F)c1 ZINC000035841302 569062283 /nfs/dbraw/zinc/06/22/83/569062283.db2.gz XZBHFQUUAUWCRC-UHFFFAOYSA-N 0 0 414.399 5.013 50 0 HKAARN OCc1cnc(SCc2cc(F)cc(F)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC000035841306 569062352 /nfs/dbraw/zinc/06/23/52/569062352.db2.gz NAKNUOSAZBFJBK-UHFFFAOYSA-N 0 0 414.399 5.013 50 0 HKAARN Cc1nc(SCc2ccc(C(F)(F)F)cc2)n(C)c(=O)c1Cc1ccc(F)cc1 ZINC000035843513 569062436 /nfs/dbraw/zinc/06/24/36/569062436.db2.gz ZCOLEIWSWPURME-UHFFFAOYSA-N 0 0 422.447 5.130 50 0 HKAARN Cc1nc(SCc2cccc(C(F)(F)F)c2)n(C)c(=O)c1Cc1cccc(F)c1 ZINC000035843519 569062405 /nfs/dbraw/zinc/06/24/05/569062405.db2.gz FDICYGHAMKOABT-UHFFFAOYSA-N 0 0 422.447 5.130 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)NCc1ccccc1 ZINC000035843531 569062404 /nfs/dbraw/zinc/06/24/04/569062404.db2.gz CMEYFJQXKNZDPS-UHFFFAOYSA-N 0 0 411.505 5.222 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(F)cc1 ZINC000035843538 569062413 /nfs/dbraw/zinc/06/24/13/569062413.db2.gz DNZAGEHSOFJFFD-UHFFFAOYSA-N 0 0 415.468 5.683 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccc(C)cc1 ZINC000035843539 569062462 /nfs/dbraw/zinc/06/24/62/569062462.db2.gz VVNHYHQQIKYLBP-UHFFFAOYSA-N 0 0 411.505 5.853 50 0 HKAARN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843643 569062414 /nfs/dbraw/zinc/06/24/14/569062414.db2.gz VCMQCXWZPSUWPJ-OAQYLSRUSA-N 0 0 424.944 5.103 50 0 HKAARN CC(C)N(CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843644 569062476 /nfs/dbraw/zinc/06/24/76/569062476.db2.gz VCMQCXWZPSUWPJ-NRFANRHFSA-N 0 0 424.944 5.103 50 0 HKAARN CCOC(=O)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843777 569062558 /nfs/dbraw/zinc/06/25/58/569062558.db2.gz KAKWBBGPJDMKCD-LJQANCHMSA-N 0 0 400.538 5.009 50 0 HKAARN CCOC(=O)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843778 569062549 /nfs/dbraw/zinc/06/25/49/569062549.db2.gz KAKWBBGPJDMKCD-IBGZPJMESA-N 0 0 400.538 5.009 50 0 HKAARN Cc1nc(SCc2ccc(Cl)cc2Cl)n(C)c(=O)c1Cc1ccccc1 ZINC000035844564 569062706 /nfs/dbraw/zinc/06/27/06/569062706.db2.gz AQPQFIOIGKJFPX-UHFFFAOYSA-N 0 0 405.350 5.279 50 0 HKAARN COc1ccc(Cc2c(C)nc(SCc3ccc(C(C)(C)C)cc3)n(C)c2=O)cc1 ZINC000035844566 569062709 /nfs/dbraw/zinc/06/27/09/569062709.db2.gz DTDSCIWUEQINOL-UHFFFAOYSA-N 0 0 422.594 5.278 50 0 HKAARN Cc1cccc(Cc2c(C)nc(SCc3ccc(C(C)(C)C)cc3)n(C)c2=O)c1 ZINC000035844569 569062749 /nfs/dbraw/zinc/06/27/49/569062749.db2.gz WPAHCDJVRNQJPM-UHFFFAOYSA-N 0 0 406.595 5.578 50 0 HKAARN Cc1cccc(Cc2c(C)nc(SCc3ccc(Cl)cc3Cl)n(C)c2=O)c1 ZINC000035844570 569062701 /nfs/dbraw/zinc/06/27/01/569062701.db2.gz MRPHVISHBNHACG-UHFFFAOYSA-N 0 0 419.377 5.587 50 0 HKAARN Cc1ccccc1Cc1c(C)nc(SCc2ccc(C(C)(C)C)cc2)n(C)c1=O ZINC000035844574 569062740 /nfs/dbraw/zinc/06/27/40/569062740.db2.gz BXUGZMCXJYNYPN-UHFFFAOYSA-N 0 0 406.595 5.578 50 0 HKAARN Cc1ccccc1Cc1c(C)nc(SCc2ccc(Cl)cc2Cl)n(C)c1=O ZINC000035844575 569062700 /nfs/dbraw/zinc/06/27/00/569062700.db2.gz PKQRNNUJDBURKC-UHFFFAOYSA-N 0 0 419.377 5.587 50 0 HKAARN Cc1nc(SCc2ccc(C(C)(C)C)cc2)n(C)c(=O)c1Cc1cccc(F)c1 ZINC000035844578 569062754 /nfs/dbraw/zinc/06/27/54/569062754.db2.gz HORHMZVYXAIAPX-UHFFFAOYSA-N 0 0 410.558 5.408 50 0 HKAARN Cc1nc(SCc2ccc(Cl)cc2Cl)n(C)c(=O)c1Cc1cccc(F)c1 ZINC000035844579 569062718 /nfs/dbraw/zinc/06/27/18/569062718.db2.gz KZVONQTUEFDFQI-UHFFFAOYSA-N 0 0 423.340 5.418 50 0 HKAARN CCc1nc(SCc2ccc(C(C)(C)C)cc2)n(C)c(=O)c1Cc1cccc(C)c1 ZINC000035844582 569062752 /nfs/dbraw/zinc/06/27/52/569062752.db2.gz OCKRWXIABAGZGT-UHFFFAOYSA-N 0 0 420.622 5.832 50 0 HKAARN O=C(NCc1ccc(-c2ccccc2)c2ccncc12)Nc1ccc(Cl)c(Cl)c1 ZINC000035844615 569062751 /nfs/dbraw/zinc/06/27/51/569062751.db2.gz ACQPJGBHYUYFEW-UHFFFAOYSA-N 0 0 422.315 6.530 50 0 HKAARN O=C(NCc1ccc(-c2ccccc2)c2ccncc12)Nc1ccc(Cl)cc1Cl ZINC000035844619 569062744 /nfs/dbraw/zinc/06/27/44/569062744.db2.gz HBUUMXWAOMWVJK-UHFFFAOYSA-N 0 0 422.315 6.530 50 0 HKAARN COc1ccc(NC(=O)NCc2ccc(-c3cccc(F)c3)c3ccncc23)cc1 ZINC000035844627 569062758 /nfs/dbraw/zinc/06/27/58/569062758.db2.gz HKKNDHNQEZIJRU-UHFFFAOYSA-N 0 0 401.441 5.371 50 0 HKAARN COc1cccc(-c2ccc(CNC(=O)Nc3cccc(C)c3C)c3cnccc23)c1 ZINC000035844633 569062797 /nfs/dbraw/zinc/06/27/97/569062797.db2.gz VHDUESHMEMHSRJ-UHFFFAOYSA-N 0 0 411.505 5.849 50 0 HKAARN Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(Cl)cc2)c2cnccc12 ZINC000035844649 569062781 /nfs/dbraw/zinc/06/27/81/569062781.db2.gz FUWNDWGLBYSUIN-UHFFFAOYSA-N 0 0 401.897 6.185 50 0 HKAARN Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(C(C)C)cc2)c2cnccc12 ZINC000035844655 569062765 /nfs/dbraw/zinc/06/27/65/569062765.db2.gz QSLLRDACYAUYEF-UHFFFAOYSA-N 0 0 409.533 6.655 50 0 HKAARN CSc1ccc(NC(=O)NCc2ccc(-c3ccccc3C)c3ccncc23)cc1 ZINC000035844656 569062798 /nfs/dbraw/zinc/06/27/98/569062798.db2.gz KYSUHMXLFMINJV-UHFFFAOYSA-N 0 0 413.546 6.254 50 0 HKAARN Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(F)c(Cl)c2)c2cnccc12 ZINC000035844659 569062806 /nfs/dbraw/zinc/06/28/06/569062806.db2.gz WOTWIYFHKATLKZ-UHFFFAOYSA-N 0 0 419.887 6.324 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000035845276 569062631 /nfs/dbraw/zinc/06/26/31/569062631.db2.gz YMHAZSUEKOPCJZ-FQEVSTJZSA-N 0 0 403.869 5.104 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000035845277 569062632 /nfs/dbraw/zinc/06/26/32/569062632.db2.gz YMHAZSUEKOPCJZ-HXUWFJFHSA-N 0 0 403.869 5.104 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000035845284 569062609 /nfs/dbraw/zinc/06/26/09/569062609.db2.gz UAXJETYAIHYWFF-FQEVSTJZSA-N 0 0 421.859 5.243 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1F ZINC000035845285 569062598 /nfs/dbraw/zinc/06/25/98/569062598.db2.gz UAXJETYAIHYWFF-HXUWFJFHSA-N 0 0 421.859 5.243 50 0 HKAARN CCCCN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccccc1Cl ZINC000035845343 569062606 /nfs/dbraw/zinc/06/26/06/569062606.db2.gz WDHFSWMMYIJIDB-UHFFFAOYSA-N 0 0 418.324 5.528 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035847412 569062671 /nfs/dbraw/zinc/06/26/71/569062671.db2.gz YWQBXSGJUGOEQZ-UHFFFAOYSA-N 0 0 418.349 5.735 50 0 HKAARN COc1ccccc1-c1nnc(SCc2ccc(C)cc2)n1-c1ccccc1C ZINC000035847455 569062648 /nfs/dbraw/zinc/06/26/48/569062648.db2.gz RJHOVFIINSZDQL-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN COc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1C ZINC000035847457 569062657 /nfs/dbraw/zinc/06/26/57/569062657.db2.gz HBTOBUWGTSZGPE-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C2CCCCC2)cc1OC ZINC000035847474 569062658 /nfs/dbraw/zinc/06/26/58/569062658.db2.gz WGESOISSFAIATM-UHFFFAOYSA-N 0 0 423.582 6.068 50 0 HKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3)n2C2CCCCC2)c1 ZINC000035847515 569062685 /nfs/dbraw/zinc/06/26/85/569062685.db2.gz VGOKNTRWJKSTEU-UHFFFAOYSA-N 0 0 409.555 5.760 50 0 HKAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C)n2C2CCCCC2)c1 ZINC000035847535 569062636 /nfs/dbraw/zinc/06/26/36/569062636.db2.gz LGQSSSDXRJRABZ-UHFFFAOYSA-N 0 0 423.582 6.068 50 0 HKAARN COC(=O)c1cccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000035847801 569062633 /nfs/dbraw/zinc/06/26/33/569062633.db2.gz WASPKFGFXXFROW-UHFFFAOYSA-N 0 0 419.481 5.152 50 0 HKAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2C)o1 ZINC000035847825 569062645 /nfs/dbraw/zinc/06/26/45/569062645.db2.gz BQZACVRKWOPFLD-UHFFFAOYSA-N 0 0 423.469 5.054 50 0 HKAARN COc1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccc(C)cc2)cc1 ZINC000035847885 569062663 /nfs/dbraw/zinc/06/26/63/569062663.db2.gz USWKMMCQLHDVMC-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN COc1cccc(-c2nnc(SCc3cccc(F)c3F)n2-c2ccc(C)cc2)c1 ZINC000035848085 569062683 /nfs/dbraw/zinc/06/26/83/569062683.db2.gz IGMUNBTVQRXKGY-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN COc1cccc(-c2nnc(SCc3cc(F)cc(F)c3)n2-c2ccc(C)cc2)c1 ZINC000035848088 569062666 /nfs/dbraw/zinc/06/26/66/569062666.db2.gz DIPXFQSLCLCRCD-UHFFFAOYSA-N 0 0 423.488 5.822 50 0 HKAARN Fc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1F ZINC000035848144 559188161 /nfs/dbraw/zinc/18/81/61/559188161.db2.gz KLZYZRWWNOOVRK-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN Fc1cc(F)cc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1 ZINC000035848147 569062656 /nfs/dbraw/zinc/06/26/56/569062656.db2.gz DAKUNQPQEMFRBI-UHFFFAOYSA-N 0 0 414.868 5.553 50 0 HKAARN COc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000035848203 569062640 /nfs/dbraw/zinc/06/26/40/569062640.db2.gz BVUCEISUVPAJOM-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccccc2C)cc1 ZINC000035848700 569062763 /nfs/dbraw/zinc/06/27/63/569062763.db2.gz NMQOEPGFXRJROL-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN COc1ccc(CSc2nnc(-c3ccccc3C)n2-c2ccc(OC)cc2)cc1 ZINC000035848703 569062769 /nfs/dbraw/zinc/06/27/69/569062769.db2.gz CFRCWZQELCRXMG-UHFFFAOYSA-N 0 0 417.534 5.552 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2C)cc1 ZINC000035848705 569062822 /nfs/dbraw/zinc/06/28/22/569062822.db2.gz KNHNACPYBALRDZ-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000035848709 569062808 /nfs/dbraw/zinc/06/28/08/569062808.db2.gz SDPYSNGUURFKIM-UHFFFAOYSA-N 0 0 421.953 6.197 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2F)cc1 ZINC000035848741 569062828 /nfs/dbraw/zinc/06/28/28/569062828.db2.gz UBMVGMPTRILLJM-UHFFFAOYSA-N 0 0 409.461 5.513 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccccc2F)cc1 ZINC000035848743 569062816 /nfs/dbraw/zinc/06/28/16/569062816.db2.gz FNVSFKATIJKBAE-UHFFFAOYSA-N 0 0 409.461 5.513 50 0 HKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2F)cc1 ZINC000035848745 569062805 /nfs/dbraw/zinc/06/28/05/569062805.db2.gz PFQDIEFQWSJTSM-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN COc1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccc(OC)cc2)cc1 ZINC000035848747 569062813 /nfs/dbraw/zinc/06/28/13/569062813.db2.gz NBCXBNDNTCOGHJ-UHFFFAOYSA-N 0 0 421.497 5.383 50 0 HKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2F)cc1 ZINC000035848750 569062833 /nfs/dbraw/zinc/06/28/33/569062833.db2.gz RIOVDKNNQZBVKQ-UHFFFAOYSA-N 0 0 405.498 5.683 50 0 HKAARN COc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccccc2F)cc1 ZINC000035848752 569062807 /nfs/dbraw/zinc/06/28/07/569062807.db2.gz WRCBQRYOXMMEEL-UHFFFAOYSA-N 0 0 421.497 5.383 50 0 HKAARN COc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000035848761 569062778 /nfs/dbraw/zinc/06/27/78/569062778.db2.gz IAQRPJNYCOACGC-UHFFFAOYSA-N 0 0 403.507 5.244 50 0 HKAARN COc1ccc(-c2nnc(SCc3ccccc3C)n2-c2cccc(C)c2)cc1 ZINC000035848764 569062824 /nfs/dbraw/zinc/06/28/24/569062824.db2.gz VVDVJJPKROTWEZ-UHFFFAOYSA-N 0 0 401.535 5.852 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000035855225 132803022 /nfs/dbraw/zinc/80/30/22/132803022.db2.gz ZHAUTMCDLJOGNX-AREMUKBSSA-N 0 0 409.533 5.223 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000035855228 558795395 /nfs/dbraw/zinc/79/53/95/558795395.db2.gz ZHAUTMCDLJOGNX-SANMLTNESA-N 0 0 409.533 5.223 50 0 HKAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000035866640 569063320 /nfs/dbraw/zinc/06/33/20/569063320.db2.gz VBPYMQFZHXAJSC-QGZVFWFLSA-N 0 0 414.619 5.051 50 0 HKAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000035866642 569063303 /nfs/dbraw/zinc/06/33/03/569063303.db2.gz VBPYMQFZHXAJSC-KRWDZBQOSA-N 0 0 414.619 5.051 50 0 HKAARN Nc1c(NC(=O)Nc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000035868093 569063440 /nfs/dbraw/zinc/06/34/40/569063440.db2.gz ZEGDTFLCLJZRJC-UHFFFAOYSA-N 0 0 403.873 5.419 50 0 HKAARN Nc1c(NC(=O)Nc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000035868096 569063405 /nfs/dbraw/zinc/06/34/05/569063405.db2.gz SJZQRKHJUPJTDY-UHFFFAOYSA-N 0 0 421.863 5.558 50 0 HKAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000035868098 569063424 /nfs/dbraw/zinc/06/34/24/569063424.db2.gz SVBDTGDMQQTLCC-UHFFFAOYSA-N 0 0 409.921 5.229 50 0 HKAARN Nc1c(NC(=O)NCc2ccccc2)c(-c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000035868102 569063397 /nfs/dbraw/zinc/06/33/97/569063397.db2.gz BGLBZNPYSAJDBR-UHFFFAOYSA-N 0 0 417.900 5.097 50 0 HKAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000035868103 569063412 /nfs/dbraw/zinc/06/34/12/569063412.db2.gz UDTKLRFUFAIBGJ-UHFFFAOYSA-N 0 0 409.921 5.229 50 0 HKAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000035868125 569063436 /nfs/dbraw/zinc/06/34/36/569063436.db2.gz ZKEBPQHMHYWXCM-UHFFFAOYSA-N 0 0 409.921 5.229 50 0 HKAARN CCn1cc([C@@H](CC(=O)N2CCN(CC)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872365 569064183 /nfs/dbraw/zinc/06/41/83/569064183.db2.gz JRBVRDSKYCBFRJ-QFIPXVFZSA-N 0 0 423.988 5.001 50 0 HKAARN CCn1cc([C@H](CC(=O)N2CCN(CC)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872366 569064176 /nfs/dbraw/zinc/06/41/76/569064176.db2.gz JRBVRDSKYCBFRJ-JOCHJYFZSA-N 0 0 423.988 5.001 50 0 HKAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035879156 558795619 /nfs/dbraw/zinc/79/56/19/558795619.db2.gz ICVQXOOPOAIZIA-NSHDSACASA-N 0 0 419.321 5.222 50 0 HKAARN C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882946 569064615 /nfs/dbraw/zinc/06/46/15/569064615.db2.gz RIBXEQSVQJXHOY-VGOFRKELSA-N 0 0 420.553 5.248 50 0 HKAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035882948 569064606 /nfs/dbraw/zinc/06/46/06/569064606.db2.gz RIBXEQSVQJXHOY-HTAPYJJXSA-N 0 0 420.553 5.248 50 0 HKAARN C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882950 569064626 /nfs/dbraw/zinc/06/46/26/569064626.db2.gz RIBXEQSVQJXHOY-VGSWGCGISA-N 0 0 420.553 5.248 50 0 HKAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035882952 569064639 /nfs/dbraw/zinc/06/46/39/569064639.db2.gz RIBXEQSVQJXHOY-JTSKRJEESA-N 0 0 420.553 5.248 50 0 HKAARN C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885279 569064598 /nfs/dbraw/zinc/06/45/98/569064598.db2.gz LRMCEBOYBLWZOV-OAHLLOKOSA-N 0 0 414.933 5.024 50 0 HKAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885281 569064596 /nfs/dbraw/zinc/06/45/96/569064596.db2.gz LRMCEBOYBLWZOV-HNNXBMFYSA-N 0 0 414.933 5.024 50 0 HKAARN CC[C@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035886213 569064649 /nfs/dbraw/zinc/06/46/49/569064649.db2.gz FOIFQQAEDLPDRD-JOCHJYFZSA-N 0 0 415.493 5.030 50 0 HKAARN CC[C@@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035886215 569064644 /nfs/dbraw/zinc/06/46/44/569064644.db2.gz FOIFQQAEDLPDRD-QFIPXVFZSA-N 0 0 415.493 5.030 50 0 HKAARN CC[C@H](C)N1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@H](CC)C1=O ZINC000035886281 569064627 /nfs/dbraw/zinc/06/46/27/569064627.db2.gz YASGRDIQRUQQTK-HTAPYJJXSA-N 0 0 423.557 5.752 50 0 HKAARN CC[C@H](C)N1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@@H](CC)C1=O ZINC000035886283 569064605 /nfs/dbraw/zinc/06/46/05/569064605.db2.gz YASGRDIQRUQQTK-JTSKRJEESA-N 0 0 423.557 5.752 50 0 HKAARN CC[C@@H](C)N1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@H](CC)C1=O ZINC000035886285 569064618 /nfs/dbraw/zinc/06/46/18/569064618.db2.gz YASGRDIQRUQQTK-VGOFRKELSA-N 0 0 423.557 5.752 50 0 HKAARN CC[C@@H](C)N1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@@H](CC)C1=O ZINC000035886287 569064629 /nfs/dbraw/zinc/06/46/29/569064629.db2.gz YASGRDIQRUQQTK-VGSWGCGISA-N 0 0 423.557 5.752 50 0 HKAARN CC[C@H](C)N1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@H](CC)C1=O ZINC000035886303 569064667 /nfs/dbraw/zinc/06/46/67/569064667.db2.gz RKPRZHYDEVESRP-IFXJQAMLSA-N 0 0 415.921 5.282 50 0 HKAARN CC[C@H](C)N1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](CC)C1=O ZINC000035886305 569064675 /nfs/dbraw/zinc/06/46/75/569064675.db2.gz RKPRZHYDEVESRP-LIRRHRJNSA-N 0 0 415.921 5.282 50 0 HKAARN CC[C@@H](C)N1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@H](CC)C1=O ZINC000035886307 569064699 /nfs/dbraw/zinc/06/46/99/569064699.db2.gz RKPRZHYDEVESRP-AUUYWEPGSA-N 0 0 415.921 5.282 50 0 HKAARN CC[C@@H](C)N1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](CC)C1=O ZINC000035886309 569064707 /nfs/dbraw/zinc/06/47/07/569064707.db2.gz RKPRZHYDEVESRP-KUHUBIRLSA-N 0 0 415.921 5.282 50 0 HKAARN CC[C@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(C2CCCCC2)C1=O ZINC000035886501 569064676 /nfs/dbraw/zinc/06/46/76/569064676.db2.gz QVIPZLSFPIBVAG-OAQYLSRUSA-N 0 0 407.514 5.163 50 0 HKAARN CC[C@@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(C2CCCCC2)C1=O ZINC000035886503 569064709 /nfs/dbraw/zinc/06/47/09/569064709.db2.gz QVIPZLSFPIBVAG-NRFANRHFSA-N 0 0 407.514 5.163 50 0 HKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000035888590 569064731 /nfs/dbraw/zinc/06/47/31/569064731.db2.gz IXGAWZFHLPVLIX-FQEVSTJZSA-N 0 0 416.487 6.405 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N3CCC(C)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888949 569064735 /nfs/dbraw/zinc/06/47/35/569064735.db2.gz BGELBASBSMRSHO-NRFANRHFSA-N 0 0 418.537 5.240 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N3CCC(C)CC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000035888952 569064714 /nfs/dbraw/zinc/06/47/14/569064714.db2.gz BGELBASBSMRSHO-OAQYLSRUSA-N 0 0 418.537 5.240 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2)N1CCc2ccccc2C1 ZINC000035892136 569064873 /nfs/dbraw/zinc/06/48/73/569064873.db2.gz OAEBYABWZKBRDT-QFIPXVFZSA-N 0 0 424.500 5.004 50 0 HKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2)N1CCc2ccccc2C1 ZINC000035892138 569064914 /nfs/dbraw/zinc/06/49/14/569064914.db2.gz OAEBYABWZKBRDT-JOCHJYFZSA-N 0 0 424.500 5.004 50 0 HKAARN CC(C)c1nc2sc3c(c2c(N2CCN(Cc4ccc(F)cc4)CC2)n1)CCCC3 ZINC000035892728 569065064 /nfs/dbraw/zinc/06/50/64/569065064.db2.gz KQTXPTZZMQPLLW-UHFFFAOYSA-N 0 0 424.589 5.155 50 0 HKAARN CCCCc1nc2sc3c(c2c(N2CCN(c4ccccc4)CC2)n1)CCCC3 ZINC000035892753 569065098 /nfs/dbraw/zinc/06/50/98/569065098.db2.gz RRAUTMQFJAIVJG-UHFFFAOYSA-N 0 0 406.599 5.239 50 0 HKAARN Fc1ccc(N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892942 569065050 /nfs/dbraw/zinc/06/50/50/569065050.db2.gz DBLVWQJRRDUMFF-UHFFFAOYSA-N 0 0 422.573 5.303 50 0 HKAARN Cc1ccc(NC(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(C(C)(C)C)cc2)cc1C ZINC000035893047 569065056 /nfs/dbraw/zinc/06/50/56/569065056.db2.gz SOVSROZRDZDDQM-VWLOTQADSA-N 0 0 424.588 7.243 50 0 HKAARN Cc1ccc(NC(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(C(C)(C)C)cc2)cc1C ZINC000035893050 569065099 /nfs/dbraw/zinc/06/50/99/569065099.db2.gz SOVSROZRDZDDQM-RUZDIDTESA-N 0 0 424.588 7.243 50 0 HKAARN Cc1ccc(NC(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(C(C)(C)C)cc2)cc1 ZINC000035893052 569065085 /nfs/dbraw/zinc/06/50/85/569065085.db2.gz UKHOEKKQBNMVFI-DEOSSOPVSA-N 0 0 410.561 6.935 50 0 HKAARN Cc1ccc(NC(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(C(C)(C)C)cc2)cc1 ZINC000035893054 569065076 /nfs/dbraw/zinc/06/50/76/569065076.db2.gz UKHOEKKQBNMVFI-XMMPIXPASA-N 0 0 410.561 6.935 50 0 HKAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)NCc1ccccn1)n2Cc1ccccc1 ZINC000035908498 569065442 /nfs/dbraw/zinc/06/54/42/569065442.db2.gz LCHFWBIMJPQVBG-LJQANCHMSA-N 0 0 413.521 5.192 50 0 HKAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)NCc1ccccn1)n2Cc1ccccc1 ZINC000035908499 569065481 /nfs/dbraw/zinc/06/54/81/569065481.db2.gz LCHFWBIMJPQVBG-IBGZPJMESA-N 0 0 413.521 5.192 50 0 HKAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)NCc1cccnc1)n2Cc1ccccc1 ZINC000035908500 569065485 /nfs/dbraw/zinc/06/54/85/569065485.db2.gz IHFHUNQOOMGOLD-LJQANCHMSA-N 0 0 413.521 5.192 50 0 HKAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)NCc1cccnc1)n2Cc1ccccc1 ZINC000035908501 569065449 /nfs/dbraw/zinc/06/54/49/569065449.db2.gz IHFHUNQOOMGOLD-IBGZPJMESA-N 0 0 413.521 5.192 50 0 HKAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1ccccc1 ZINC000035908504 569065462 /nfs/dbraw/zinc/06/54/62/569065462.db2.gz OZPQJVXLRKAPNP-LJQANCHMSA-N 0 0 413.521 5.192 50 0 HKAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1ccccc1 ZINC000035908505 569065458 /nfs/dbraw/zinc/06/54/58/569065458.db2.gz OZPQJVXLRKAPNP-IBGZPJMESA-N 0 0 413.521 5.192 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035908759 569065486 /nfs/dbraw/zinc/06/54/86/569065486.db2.gz BWRORKANFYQODP-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035908760 569065455 /nfs/dbraw/zinc/06/54/55/569065455.db2.gz BWRORKANFYQODP-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccccc1Cl ZINC000035908769 569065517 /nfs/dbraw/zinc/06/55/17/569065517.db2.gz FRECYVRFTSHPQD-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1Cl ZINC000035908770 569065495 /nfs/dbraw/zinc/06/54/95/569065495.db2.gz FRECYVRFTSHPQD-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3C)cc2)c1 ZINC000035908779 569065539 /nfs/dbraw/zinc/06/55/39/569065539.db2.gz GUDKSLSTSVOEEQ-HSZRJFAPSA-N 0 0 417.534 5.726 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C)cc2)c1 ZINC000035908780 569065518 /nfs/dbraw/zinc/06/55/18/569065518.db2.gz GUDKSLSTSVOEEQ-QHCPKHFHSA-N 0 0 417.534 5.726 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000035908781 569065546 /nfs/dbraw/zinc/06/55/46/569065546.db2.gz ROTRWZIOQOTBSN-QHCPKHFHSA-N 0 0 417.534 5.095 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000035908782 569065505 /nfs/dbraw/zinc/06/55/05/569065505.db2.gz ROTRWZIOQOTBSN-HSZRJFAPSA-N 0 0 417.534 5.095 50 0 HKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)CC(C)(C)C)ccc2O[C@H](CC)C1=O ZINC000035909573 569065902 /nfs/dbraw/zinc/06/59/02/569065902.db2.gz DWDIBJONRLZQKR-FCHUYYIVSA-N 0 0 422.569 5.712 50 0 HKAARN CC[C@@H](c1ccccc1)N1Cc2cc(NC(=O)CC(C)(C)C)ccc2O[C@@H](CC)C1=O ZINC000035909574 569065882 /nfs/dbraw/zinc/06/58/82/569065882.db2.gz DWDIBJONRLZQKR-VXKWHMMOSA-N 0 0 422.569 5.712 50 0 HKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)CC(C)(C)C)ccc2O[C@H](CC)C1=O ZINC000035909575 569065907 /nfs/dbraw/zinc/06/59/07/569065907.db2.gz DWDIBJONRLZQKR-FGZHOGPDSA-N 0 0 422.569 5.712 50 0 HKAARN CC[C@H](c1ccccc1)N1Cc2cc(NC(=O)CC(C)(C)C)ccc2O[C@@H](CC)C1=O ZINC000035909576 569065904 /nfs/dbraw/zinc/06/59/04/569065904.db2.gz DWDIBJONRLZQKR-YADHBBJMSA-N 0 0 422.569 5.712 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c1 ZINC000035910213 569065901 /nfs/dbraw/zinc/06/59/01/569065901.db2.gz MFHLABKNOTTWFJ-JOCHJYFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1cccc(NC(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c1 ZINC000035910214 569065866 /nfs/dbraw/zinc/06/58/66/569065866.db2.gz MFHLABKNOTTWFJ-QFIPXVFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3)c2)c1 ZINC000035910221 569065867 /nfs/dbraw/zinc/06/58/67/569065867.db2.gz OZMFXNBZXSQRAT-JOCHJYFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)c2)c1 ZINC000035910222 569065876 /nfs/dbraw/zinc/06/58/76/569065876.db2.gz OZMFXNBZXSQRAT-QFIPXVFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)Nc2ccccc2F)c1 ZINC000035910247 569065880 /nfs/dbraw/zinc/06/58/80/569065880.db2.gz RYIUSUFCNZMOPO-QFIPXVFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)Nc2ccccc2F)c1 ZINC000035910248 569065910 /nfs/dbraw/zinc/06/59/10/569065910.db2.gz RYIUSUFCNZMOPO-JOCHJYFZSA-N 0 0 421.497 5.557 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035910303 569065884 /nfs/dbraw/zinc/06/58/84/569065884.db2.gz LAFDAVOKKZFYEI-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000035910304 569065894 /nfs/dbraw/zinc/06/58/94/569065894.db2.gz LAFDAVOKKZFYEI-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035910337 569065873 /nfs/dbraw/zinc/06/58/73/569065873.db2.gz BBKKACJPSPAYEF-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035910338 569065906 /nfs/dbraw/zinc/06/59/06/569065906.db2.gz BBKKACJPSPAYEF-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035910339 569065868 /nfs/dbraw/zinc/06/58/68/569065868.db2.gz BKMJRTPVJUMZDI-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000035910340 569065898 /nfs/dbraw/zinc/06/58/98/569065898.db2.gz BKMJRTPVJUMZDI-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000035910343 569065885 /nfs/dbraw/zinc/06/58/85/569065885.db2.gz ACWPBNWEQCDCMV-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000035910344 569065942 /nfs/dbraw/zinc/06/59/42/569065942.db2.gz ACWPBNWEQCDCMV-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000035910377 569065940 /nfs/dbraw/zinc/06/59/40/569065940.db2.gz VMURHTNQDKOEBN-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000035910378 569065930 /nfs/dbraw/zinc/06/59/30/569065930.db2.gz VMURHTNQDKOEBN-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035910391 569065920 /nfs/dbraw/zinc/06/59/20/569065920.db2.gz URZWFLLRAXJRAF-QHCPKHFHSA-N 0 0 422.575 5.902 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035910392 569065972 /nfs/dbraw/zinc/06/59/72/569065972.db2.gz URZWFLLRAXJRAF-HSZRJFAPSA-N 0 0 422.575 5.902 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000035910437 569065935 /nfs/dbraw/zinc/06/59/35/569065935.db2.gz GPZAUUBRGXVZJT-QHCPKHFHSA-N 0 0 422.575 5.902 50 0 HKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000035910438 569065959 /nfs/dbraw/zinc/06/59/59/569065959.db2.gz GPZAUUBRGXVZJT-HSZRJFAPSA-N 0 0 422.575 5.902 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1C ZINC000035910811 569065903 /nfs/dbraw/zinc/06/59/03/569065903.db2.gz DCFSJIWNCOMUJJ-QHCPKHFHSA-N 0 0 422.575 5.325 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1C ZINC000035910812 569065912 /nfs/dbraw/zinc/06/59/12/569065912.db2.gz DCFSJIWNCOMUJJ-HSZRJFAPSA-N 0 0 422.575 5.325 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 ZINC000035910837 569065931 /nfs/dbraw/zinc/06/59/31/569065931.db2.gz MZOAJGRIZFITIW-XMMPIXPASA-N 0 0 410.583 5.991 50 0 HKAARN CCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 ZINC000035910838 569065956 /nfs/dbraw/zinc/06/59/56/569065956.db2.gz MZOAJGRIZFITIW-DEOSSOPVSA-N 0 0 410.583 5.991 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccccc2Cl)cc1 ZINC000035910847 569065938 /nfs/dbraw/zinc/06/59/38/569065938.db2.gz RZIFXHBTNIFGTL-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2Cl)cc1 ZINC000035910848 569065971 /nfs/dbraw/zinc/06/59/71/569065971.db2.gz RZIFXHBTNIFGTL-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035910851 569065969 /nfs/dbraw/zinc/06/59/69/569065969.db2.gz LALHNCAXKWDSBC-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000035910852 569065949 /nfs/dbraw/zinc/06/59/49/569065949.db2.gz LALHNCAXKWDSBC-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000035910863 569065946 /nfs/dbraw/zinc/06/59/46/569065946.db2.gz CDARVKODTRSQTA-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000035910864 569065937 /nfs/dbraw/zinc/06/59/37/569065937.db2.gz CDARVKODTRSQTA-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000035910899 569065936 /nfs/dbraw/zinc/06/59/36/569065936.db2.gz POGWQNSRIHTWPS-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000035910900 569065923 /nfs/dbraw/zinc/06/59/23/569065923.db2.gz POGWQNSRIHTWPS-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1ccc(Cl)cc1 ZINC000035911008 569065943 /nfs/dbraw/zinc/06/59/43/569065943.db2.gz SZFOTFGWRURXCL-UHFFFAOYSA-N 0 0 414.864 5.610 50 0 HKAARN CCOc1cccc2c1cc(C(=O)Nc1ccc(C)cc1)n2Cc1ccc(F)cc1 ZINC000035911205 569065992 /nfs/dbraw/zinc/06/59/92/569065992.db2.gz HJDZDFKTJJBXLG-UHFFFAOYSA-N 0 0 402.469 5.788 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1 ZINC000035912192 569065984 /nfs/dbraw/zinc/06/59/84/569065984.db2.gz BFBAMZXROIRRIJ-VWLOTQADSA-N 0 0 416.546 5.643 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1 ZINC000035912193 569065981 /nfs/dbraw/zinc/06/59/81/569065981.db2.gz BFBAMZXROIRRIJ-RUZDIDTESA-N 0 0 416.546 5.643 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912276 569065978 /nfs/dbraw/zinc/06/59/78/569065978.db2.gz NHRMNXIICROGMW-QHCPKHFHSA-N 0 0 422.937 5.679 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000035912277 569065994 /nfs/dbraw/zinc/06/59/94/569065994.db2.gz NHRMNXIICROGMW-HSZRJFAPSA-N 0 0 422.937 5.679 50 0 HKAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035912415 569065993 /nfs/dbraw/zinc/06/59/93/569065993.db2.gz WWSRRVZAWQYCDK-QHCPKHFHSA-N 0 0 422.575 5.270 50 0 HKAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035912416 569065991 /nfs/dbraw/zinc/06/59/91/569065991.db2.gz WWSRRVZAWQYCDK-HSZRJFAPSA-N 0 0 422.575 5.270 50 0 HKAARN CCCCc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 ZINC000035912938 569065975 /nfs/dbraw/zinc/06/59/75/569065975.db2.gz XEKMNYMDENYTRP-UHFFFAOYSA-N 0 0 411.552 5.108 50 0 HKAARN CCc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000035912946 569066014 /nfs/dbraw/zinc/06/60/14/569066014.db2.gz GEOREXVZJLUUNJ-UHFFFAOYSA-N 0 0 423.485 5.664 50 0 HKAARN CCCCCc1ccc(C(=O)Nc2nnc(SCc3cccc(C)c3)s2)cc1 ZINC000035912952 569065979 /nfs/dbraw/zinc/06/59/79/569065979.db2.gz XKWJIVOBQMUWIS-UHFFFAOYSA-N 0 0 411.596 6.124 50 0 HKAARN Cc1cccc(CSc2nnc(NC(=O)c3ccc(C(F)(F)F)cc3)s2)c1 ZINC000035912955 569065998 /nfs/dbraw/zinc/06/59/98/569065998.db2.gz VBGXVYKUPNVKLP-UHFFFAOYSA-N 0 0 409.458 5.410 50 0 HKAARN CCCCc1ccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000035912958 569065990 /nfs/dbraw/zinc/06/59/90/569065990.db2.gz HHCOOCMPCFYPBW-UHFFFAOYSA-N 0 0 417.987 6.079 50 0 HKAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000035912981 569065982 /nfs/dbraw/zinc/06/59/82/569065982.db2.gz LQWBXTXGVWVIOR-UHFFFAOYSA-N 0 0 419.531 5.227 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3c(F)cccc3F)s2)cc1 ZINC000035924411 569066177 /nfs/dbraw/zinc/06/61/77/569066177.db2.gz HHBHPZYPCROUGZ-UHFFFAOYSA-N 0 0 419.522 5.658 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cc(F)cc(F)c3)s2)cc1 ZINC000035924428 569066200 /nfs/dbraw/zinc/06/62/00/569066200.db2.gz DFMCFDGBMUHHLR-UHFFFAOYSA-N 0 0 419.522 5.658 50 0 HKAARN O=C(Nc1nnc(SCCCOc2ccccc2)s1)c1cccc(Cl)c1 ZINC000035924439 569066168 /nfs/dbraw/zinc/06/61/68/569066168.db2.gz OXFPLNGXEXUALI-UHFFFAOYSA-N 0 0 405.932 5.005 50 0 HKAARN Cc1cc(C)cc(CSc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000035924493 569066173 /nfs/dbraw/zinc/06/61/73/569066173.db2.gz DPBUAQJPJKWDBZ-UHFFFAOYSA-N 0 0 424.378 6.006 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000035925075 569066388 /nfs/dbraw/zinc/06/63/88/569066388.db2.gz FGXAZXPOQWSVKT-QHCPKHFHSA-N 0 0 422.575 5.270 50 0 HKAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000035925076 569066372 /nfs/dbraw/zinc/06/63/72/569066372.db2.gz FGXAZXPOQWSVKT-HSZRJFAPSA-N 0 0 422.575 5.270 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035925259 569066382 /nfs/dbraw/zinc/06/63/82/569066382.db2.gz WLWPQDZIYVEHCB-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000035925260 569066328 /nfs/dbraw/zinc/06/63/28/569066328.db2.gz WLWPQDZIYVEHCB-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC1CCCCC1)nc2-c1ccccc1 ZINC000035925705 569066389 /nfs/dbraw/zinc/06/63/89/569066389.db2.gz ONQXPCSTAOMYBU-UHFFFAOYSA-N 0 0 418.932 5.463 50 0 HKAARN CCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926965 569066525 /nfs/dbraw/zinc/06/65/25/569066525.db2.gz AHOFAQLBIWMGSL-HXUWFJFHSA-N 0 0 422.472 5.613 50 0 HKAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926966 569066523 /nfs/dbraw/zinc/06/65/23/569066523.db2.gz AHOFAQLBIWMGSL-FQEVSTJZSA-N 0 0 422.472 5.613 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926967 569066495 /nfs/dbraw/zinc/06/64/95/569066495.db2.gz STVHELYKFHKHPN-GOSISDBHSA-N 0 0 422.472 5.469 50 0 HKAARN CC(C)(C)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000035926968 569066507 /nfs/dbraw/zinc/06/65/07/569066507.db2.gz STVHELYKFHKHPN-SFHVURJKSA-N 0 0 422.472 5.469 50 0 HKAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927025 569066394 /nfs/dbraw/zinc/06/63/94/569066394.db2.gz ISFQVAABOYSRFP-HXUWFJFHSA-N 0 0 422.472 5.613 50 0 HKAARN CCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927026 569066405 /nfs/dbraw/zinc/06/64/05/569066405.db2.gz ISFQVAABOYSRFP-FQEVSTJZSA-N 0 0 422.472 5.613 50 0 HKAARN CC(C)CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927115 569066579 /nfs/dbraw/zinc/06/65/79/569066579.db2.gz LXUWRTHQBDAZCU-HXUWFJFHSA-N 0 0 422.472 5.469 50 0 HKAARN CC(C)CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035927116 569066533 /nfs/dbraw/zinc/06/65/33/569066533.db2.gz LXUWRTHQBDAZCU-FQEVSTJZSA-N 0 0 422.472 5.469 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3cccs3)cc2)c1C ZINC000035927153 569066536 /nfs/dbraw/zinc/06/65/36/569066536.db2.gz SDEWTIRTXFPGOJ-QHCPKHFHSA-N 0 0 422.575 5.325 50 0 HKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3cccs3)cc2)c1C ZINC000035927154 569066566 /nfs/dbraw/zinc/06/65/66/569066566.db2.gz SDEWTIRTXFPGOJ-HSZRJFAPSA-N 0 0 422.575 5.325 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccs2)c1 ZINC000035927417 569066571 /nfs/dbraw/zinc/06/65/71/569066571.db2.gz UWIHVWNTJRLQSJ-QHCPKHFHSA-N 0 0 422.575 5.732 50 0 HKAARN CCCc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccs2)c1 ZINC000035927418 569066547 /nfs/dbraw/zinc/06/65/47/569066547.db2.gz UWIHVWNTJRLQSJ-HSZRJFAPSA-N 0 0 422.575 5.732 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccs2)cc1 ZINC000035927479 569066549 /nfs/dbraw/zinc/06/65/49/569066549.db2.gz YCCYHJZONWGHIE-QHCPKHFHSA-N 0 0 422.575 5.902 50 0 HKAARN CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccs2)cc1 ZINC000035927480 569066538 /nfs/dbraw/zinc/06/65/38/569066538.db2.gz YCCYHJZONWGHIE-HSZRJFAPSA-N 0 0 422.575 5.902 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927529 569066543 /nfs/dbraw/zinc/06/65/43/569066543.db2.gz WBRPLSCWTNDQJL-RUZDIDTESA-N 0 0 424.610 6.498 50 0 HKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000035927530 569066582 /nfs/dbraw/zinc/06/65/82/569066582.db2.gz WBRPLSCWTNDQJL-VWLOTQADSA-N 0 0 424.610 6.498 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000035927603 569066551 /nfs/dbraw/zinc/06/65/51/569066551.db2.gz SUEZVFUTVRRDOF-QHCPKHFHSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000035927604 569066561 /nfs/dbraw/zinc/06/65/61/569066561.db2.gz SUEZVFUTVRRDOF-HSZRJFAPSA-N 0 0 406.482 5.165 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000035927605 569066586 /nfs/dbraw/zinc/06/65/86/569066586.db2.gz DCLNZUFTZTVZNP-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000035927606 569066634 /nfs/dbraw/zinc/06/66/34/569066634.db2.gz DCLNZUFTZTVZNP-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000035927633 569066590 /nfs/dbraw/zinc/06/65/90/569066590.db2.gz YZSGHAOEJRTNPQ-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2ccccc2F)c1 ZINC000035927634 569066602 /nfs/dbraw/zinc/06/66/02/569066602.db2.gz YZSGHAOEJRTNPQ-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035927639 569066594 /nfs/dbraw/zinc/06/65/94/569066594.db2.gz CRKCSMWYLQICIK-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000035927640 569066606 /nfs/dbraw/zinc/06/66/06/569066606.db2.gz CRKCSMWYLQICIK-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN CC(C)Cn1c(C(=O)N2CCC(C)CC2)cc2c1cccc2OCc1ccccc1 ZINC000035927678 569066607 /nfs/dbraw/zinc/06/66/07/569066607.db2.gz KEJSRMGEWCRKGE-UHFFFAOYSA-N 0 0 404.554 5.748 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000035927996 569066476 /nfs/dbraw/zinc/06/64/76/569066476.db2.gz MXRJINUDIWQXGP-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000035927997 569066458 /nfs/dbraw/zinc/06/64/58/569066458.db2.gz MXRJINUDIWQXGP-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000035928012 569066580 /nfs/dbraw/zinc/06/65/80/569066580.db2.gz DIVAFNAKYVFCCR-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000035928013 569066535 /nfs/dbraw/zinc/06/65/35/569066535.db2.gz DIVAFNAKYVFCCR-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000035928028 569066542 /nfs/dbraw/zinc/06/65/42/569066542.db2.gz XSTVIGPNGKYTNZ-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000035928029 569066573 /nfs/dbraw/zinc/06/65/73/569066573.db2.gz XSTVIGPNGKYTNZ-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3F)c2)c1 ZINC000035928054 569066534 /nfs/dbraw/zinc/06/65/34/569066534.db2.gz YZEAOUOACIDYRS-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)c1 ZINC000035928055 569066557 /nfs/dbraw/zinc/06/65/57/569066557.db2.gz YZEAOUOACIDYRS-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000035928058 569066545 /nfs/dbraw/zinc/06/65/45/569066545.db2.gz VMNPRFKBESSZGV-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000035928059 569066577 /nfs/dbraw/zinc/06/65/77/569066577.db2.gz VMNPRFKBESSZGV-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1 ZINC000035928210 569066544 /nfs/dbraw/zinc/06/65/44/569066544.db2.gz SFWCARLBXQGTNN-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1 ZINC000035928211 569066562 /nfs/dbraw/zinc/06/65/62/569066562.db2.gz SFWCARLBXQGTNN-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000035928224 569066568 /nfs/dbraw/zinc/06/65/68/569066568.db2.gz KTNHAEODXNOMHF-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2ccccc2[C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000035928225 569066532 /nfs/dbraw/zinc/06/65/32/569066532.db2.gz KTNHAEODXNOMHF-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3F)c2)cc1 ZINC000035928262 569066537 /nfs/dbraw/zinc/06/65/37/569066537.db2.gz OQVMHJICSYPWMH-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)c2)cc1 ZINC000035928263 569066559 /nfs/dbraw/zinc/06/65/59/569066559.db2.gz OQVMHJICSYPWMH-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1)c1cccs1 ZINC000035928264 558795948 /nfs/dbraw/zinc/79/59/48/558795948.db2.gz ALHGYZZDGYLYPT-HXUWFJFHSA-N 0 0 416.474 5.057 50 0 HKAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1)c1cccs1 ZINC000035928265 558795918 /nfs/dbraw/zinc/79/59/18/558795918.db2.gz ALHGYZZDGYLYPT-FQEVSTJZSA-N 0 0 416.474 5.057 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928266 569066541 /nfs/dbraw/zinc/06/65/41/569066541.db2.gz QNNMOYWRMGDVCY-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1 ZINC000035928267 569066565 /nfs/dbraw/zinc/06/65/65/569066565.db2.gz QNNMOYWRMGDVCY-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1Cl ZINC000035928289 569066539 /nfs/dbraw/zinc/06/65/39/569066539.db2.gz OBDCYRLLHGICCC-UHFFFAOYSA-N 0 0 408.885 5.265 50 0 HKAARN CCOc1cccc2c1cc(C(=O)NC1CCCCC1)n2Cc1ccccc1Cl ZINC000035928290 569066558 /nfs/dbraw/zinc/06/65/58/569066558.db2.gz AXVPEAVWIQXQSM-UHFFFAOYSA-N 0 0 410.945 5.804 50 0 HKAARN CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1ccccc1Cl ZINC000035928295 569066531 /nfs/dbraw/zinc/06/65/31/569066531.db2.gz PXVVLQPXTBOGSX-UHFFFAOYSA-N 0 0 418.924 5.672 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1F ZINC000035928560 569066600 /nfs/dbraw/zinc/06/66/00/569066600.db2.gz UZRYWLJJGYVKSU-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1F ZINC000035928561 569066628 /nfs/dbraw/zinc/06/66/28/569066628.db2.gz UZRYWLJJGYVKSU-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1F ZINC000035928574 569066612 /nfs/dbraw/zinc/06/66/12/569066612.db2.gz XQCXOAYKCSUHFG-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1F ZINC000035928575 569066595 /nfs/dbraw/zinc/06/65/95/569066595.db2.gz XQCXOAYKCSUHFG-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1F ZINC000035928594 569066596 /nfs/dbraw/zinc/06/65/96/569066596.db2.gz FLLOOVAJDCLILW-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1F ZINC000035928595 569066613 /nfs/dbraw/zinc/06/66/13/569066613.db2.gz FLLOOVAJDCLILW-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1F ZINC000035928620 569066587 /nfs/dbraw/zinc/06/65/87/569066587.db2.gz DJXLFWDNVXARBC-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1F ZINC000035928621 569066617 /nfs/dbraw/zinc/06/66/17/569066617.db2.gz DJXLFWDNVXARBC-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1F ZINC000035928624 569066614 /nfs/dbraw/zinc/06/66/14/569066614.db2.gz PZZWAENIZVDKBH-QHCPKHFHSA-N 0 0 424.472 5.304 50 0 HKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1F ZINC000035928625 569066608 /nfs/dbraw/zinc/06/66/08/569066608.db2.gz PZZWAENIZVDKBH-HSZRJFAPSA-N 0 0 424.472 5.304 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000035928712 569066630 /nfs/dbraw/zinc/06/66/30/569066630.db2.gz XKQNFNDWXWYEQL-DEOSSOPVSA-N 0 0 408.567 5.546 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000035928713 569066623 /nfs/dbraw/zinc/06/66/23/569066623.db2.gz XKQNFNDWXWYEQL-XMMPIXPASA-N 0 0 408.567 5.546 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3cccs3)cc2)c1 ZINC000035928714 569066632 /nfs/dbraw/zinc/06/66/32/569066632.db2.gz GUYYVPCTCDLSDX-QHCPKHFHSA-N 0 0 422.575 5.270 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3cccs3)cc2)c1 ZINC000035928715 569066593 /nfs/dbraw/zinc/06/65/93/569066593.db2.gz GUYYVPCTCDLSDX-HSZRJFAPSA-N 0 0 422.575 5.270 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 ZINC000035928754 569066678 /nfs/dbraw/zinc/06/66/78/569066678.db2.gz YMQQNRURZPSKSZ-QHCPKHFHSA-N 0 0 422.575 5.270 50 0 HKAARN CCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 ZINC000035928755 569066662 /nfs/dbraw/zinc/06/66/62/569066662.db2.gz YMQQNRURZPSKSZ-HSZRJFAPSA-N 0 0 422.575 5.270 50 0 HKAARN C/C=C\Cn1c(C(=O)NCc2ccccc2)cc2c1cccc2OCc1ccccc1 ZINC000035928792 569066603 /nfs/dbraw/zinc/06/66/03/569066603.db2.gz ODIVJODKIPSPRL-IHWYPQMZSA-N 0 0 410.517 5.726 50 0 HKAARN C/C=C\Cn1c(C(=O)N2CCC(C)CC2)cc2c1cccc2OCc1ccccc1 ZINC000035928804 569066610 /nfs/dbraw/zinc/06/66/10/569066610.db2.gz RUHDAXSYSNSUSL-ARJAWSKDSA-N 0 0 402.538 5.669 50 0 HKAARN CC(C)CNc1nc2nn(-c3ccc(C(C)C)cc3)c(N)c2c(-c2ccccc2)n1 ZINC000035929619 569066667 /nfs/dbraw/zinc/06/66/67/569066667.db2.gz SELXNGQRBGTGEA-UHFFFAOYSA-N 0 0 400.530 5.256 50 0 HKAARN Nc1c2c(nn1-c1ccccc1)nc(NC1CCCC1)nc2-c1ccccc1Cl ZINC000035929693 569066682 /nfs/dbraw/zinc/06/66/82/569066682.db2.gz HONWVQBSKGUECC-UHFFFAOYSA-N 0 0 404.905 5.073 50 0 HKAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NC1CCCC1)nc2-c1ccccc1Cl ZINC000035929752 569066725 /nfs/dbraw/zinc/06/67/25/569066725.db2.gz MWEANNXEKKIFAU-UHFFFAOYSA-N 0 0 422.895 5.212 50 0 HKAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035929862 569066718 /nfs/dbraw/zinc/06/67/18/569066718.db2.gz DFZFVHWJDXIQBY-UHFFFAOYSA-N 0 0 416.504 5.008 50 0 HKAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NC1CCCC1)nc2-c1ccc(F)cc1 ZINC000035930001 569066743 /nfs/dbraw/zinc/06/67/43/569066743.db2.gz GWJUCMUEYWYFSQ-UHFFFAOYSA-N 0 0 422.895 5.212 50 0 HKAARN O=C1[C@H](c2ccccc2)[C@H](c2cccs2)N[C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941690 558796105 /nfs/dbraw/zinc/79/61/05/558796105.db2.gz UCZYTGZNLXWZAW-NVPYSNMXSA-N 0 0 415.583 6.332 50 0 HKAARN C[C@@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C)c2)C1 ZINC000035944073 558796056 /nfs/dbraw/zinc/79/60/56/558796056.db2.gz IGGGFPGDTBGUDH-OMBANNHQSA-N 0 0 414.594 5.579 50 0 HKAARN C[C@@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 ZINC000035944078 558796113 /nfs/dbraw/zinc/79/61/13/558796113.db2.gz IGGGFPGDTBGUDH-QDJVIIKBSA-N 0 0 414.594 5.579 50 0 HKAARN C[C@@H]1CC[C@@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C)c2)C1 ZINC000035944082 558796070 /nfs/dbraw/zinc/79/60/70/558796070.db2.gz IGGGFPGDTBGUDH-HLDKGHONSA-N 0 0 414.594 5.579 50 0 HKAARN C[C@@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@H]3C)c2)C1 ZINC000035944085 558795995 /nfs/dbraw/zinc/79/59/95/558795995.db2.gz IGGGFPGDTBGUDH-QZFITCGQSA-N 0 0 414.594 5.579 50 0 HKAARN O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035944455 569067036 /nfs/dbraw/zinc/06/70/36/569067036.db2.gz VWAMIWLERWTIPW-FQEVSTJZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035944456 569067064 /nfs/dbraw/zinc/06/70/64/569067064.db2.gz VWAMIWLERWTIPW-HXUWFJFHSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035944457 569067059 /nfs/dbraw/zinc/06/70/59/569067059.db2.gz BYMGICCKLKDGCB-QFIPXVFZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035944458 569067019 /nfs/dbraw/zinc/06/70/19/569067019.db2.gz BYMGICCKLKDGCB-JOCHJYFZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1nccn1Cc1ccccc1Cl ZINC000035964585 569069064 /nfs/dbraw/zinc/06/90/64/569069064.db2.gz WROFEEKGQPMXAR-UHFFFAOYSA-N 0 0 423.875 5.160 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CCC1)C(C)C ZINC000035965451 569069182 /nfs/dbraw/zinc/06/91/82/569069182.db2.gz VRIOGIHZEDHEDM-UHFFFAOYSA-N 0 0 421.516 5.649 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1ccco1)C(C)C ZINC000035965466 569069200 /nfs/dbraw/zinc/06/92/00/569069200.db2.gz IQWJEJFGKVAJLU-UHFFFAOYSA-N 0 0 415.493 5.617 50 0 HKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(C)C ZINC000035965476 569069204 /nfs/dbraw/zinc/06/92/04/569069204.db2.gz OZAMETTWIHJKPJ-UHFFFAOYSA-N 0 0 424.520 5.442 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000035965480 569069175 /nfs/dbraw/zinc/06/91/75/569069175.db2.gz UKQVLPSAJCWWNF-UHFFFAOYSA-N 0 0 406.530 5.209 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035970056 569069354 /nfs/dbraw/zinc/06/93/54/569069354.db2.gz KSIUOJYUKHJWCW-UHFFFAOYSA-N 0 0 424.976 5.105 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(Cl)cc1 ZINC000035970065 559189833 /nfs/dbraw/zinc/18/98/33/559189833.db2.gz YXBGMSOFQKKWIG-UHFFFAOYSA-N 0 0 424.976 5.105 50 0 HKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035970103 569069379 /nfs/dbraw/zinc/06/93/79/569069379.db2.gz WREUQDZJIUARQB-QGZVFWFLSA-N 0 0 424.976 5.247 50 0 HKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035970105 569069406 /nfs/dbraw/zinc/06/94/06/569069406.db2.gz WREUQDZJIUARQB-KRWDZBQOSA-N 0 0 424.976 5.247 50 0 HKAARN CC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000035970447 569069419 /nfs/dbraw/zinc/06/94/19/569069419.db2.gz KGIRCADIXJZZKN-UHFFFAOYSA-N 0 0 411.933 5.631 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035970515 569069402 /nfs/dbraw/zinc/06/94/02/569069402.db2.gz USIBDYMEBPUYQF-UHFFFAOYSA-N 0 0 423.944 5.773 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000035970529 569069438 /nfs/dbraw/zinc/06/94/38/569069438.db2.gz RLVKIOYYRRNXRO-UHFFFAOYSA-N 0 0 409.917 5.527 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035970537 569069422 /nfs/dbraw/zinc/06/94/22/569069422.db2.gz JPNZZECVNIRDIK-UHFFFAOYSA-N 0 0 421.928 5.527 50 0 HKAARN CC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000035970575 569069313 /nfs/dbraw/zinc/06/93/13/569069313.db2.gz DIESRMGTQBDEAC-UHFFFAOYSA-N 0 0 409.917 5.385 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000035970587 569069291 /nfs/dbraw/zinc/06/92/91/569069291.db2.gz KOENGMKZSRRQNK-UHFFFAOYSA-N 0 0 423.944 5.775 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)C(C)C ZINC000035970610 569069279 /nfs/dbraw/zinc/06/92/79/569069279.db2.gz NMZKKJULFDKOII-UHFFFAOYSA-N 0 0 405.542 5.614 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)C1CCC1 ZINC000035970612 569069321 /nfs/dbraw/zinc/06/93/21/569069321.db2.gz UDHDHEQXJIWNGP-UHFFFAOYSA-N 0 0 417.553 5.758 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)C1CC1 ZINC000035970623 569069292 /nfs/dbraw/zinc/06/92/92/569069292.db2.gz DEXZIGFCOGASPZ-UHFFFAOYSA-N 0 0 403.526 5.368 50 0 HKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)C1CCC1 ZINC000035970695 569069381 /nfs/dbraw/zinc/06/93/81/569069381.db2.gz MFHDWLBLCLVLAX-LJQANCHMSA-N 0 0 417.553 5.900 50 0 HKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)C1CCC1 ZINC000035970697 569069350 /nfs/dbraw/zinc/06/93/50/569069350.db2.gz MFHDWLBLCLVLAX-IBGZPJMESA-N 0 0 417.553 5.900 50 0 HKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035970727 558796230 /nfs/dbraw/zinc/79/62/30/558796230.db2.gz OCNNWHYIJJNSIU-GOSISDBHSA-N 0 0 403.526 5.510 50 0 HKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035970729 558796199 /nfs/dbraw/zinc/79/61/99/558796199.db2.gz OCNNWHYIJJNSIU-SFHVURJKSA-N 0 0 403.526 5.510 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)c1ccccc1)C1CC1 ZINC000035970748 569069335 /nfs/dbraw/zinc/06/93/35/569069335.db2.gz GQEPOLYAEOVZLW-UHFFFAOYSA-N 0 0 423.516 5.778 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)c1ccco1 ZINC000035970750 558796214 /nfs/dbraw/zinc/79/62/14/558796214.db2.gz TWBOHRGDRNEFDT-UHFFFAOYSA-N 0 0 415.493 5.618 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C(C)C ZINC000035970856 569069353 /nfs/dbraw/zinc/06/93/53/569069353.db2.gz LRVRFWPNXPFRAI-UHFFFAOYSA-N 0 0 403.526 5.368 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035970859 569069346 /nfs/dbraw/zinc/06/93/46/569069346.db2.gz LUCDOMFONJRMEU-UHFFFAOYSA-N 0 0 415.537 5.512 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035970875 569069345 /nfs/dbraw/zinc/06/93/45/569069345.db2.gz DMYOTIJAZCTDCU-UHFFFAOYSA-N 0 0 401.510 5.122 50 0 HKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(C)C ZINC000035970887 569069374 /nfs/dbraw/zinc/06/93/74/569069374.db2.gz ZXTOOAVCZLIGRX-UHFFFAOYSA-N 0 0 410.493 5.052 50 0 HKAARN CCNC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000035971006 569069355 /nfs/dbraw/zinc/06/93/55/569069355.db2.gz YUVVGXPWBBCPBN-UHFFFAOYSA-N 0 0 424.932 5.320 50 0 HKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000035971046 569069384 /nfs/dbraw/zinc/06/93/84/569069384.db2.gz HRCLAVAKDALDRI-UHFFFAOYSA-N 0 0 406.530 5.161 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C(=O)NC(C)C ZINC000035971050 569069351 /nfs/dbraw/zinc/06/93/51/569069351.db2.gz FPPRJKWDPFSBIH-UHFFFAOYSA-N 0 0 420.557 5.549 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)NC(C)C ZINC000035971068 569069367 /nfs/dbraw/zinc/06/93/67/569069367.db2.gz CUFQUPIOSUGBPS-UHFFFAOYSA-N 0 0 406.530 5.303 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035971070 569069377 /nfs/dbraw/zinc/06/93/77/569069377.db2.gz BPGNSXYCSKNYNU-UHFFFAOYSA-N 0 0 406.530 5.305 50 0 HKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccccc1)C(C)C ZINC000035972053 569069426 /nfs/dbraw/zinc/06/94/26/569069426.db2.gz ACQDUVSKDGJJQK-UHFFFAOYSA-N 0 0 404.558 5.113 50 0 HKAARN CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccs1 ZINC000035972061 569069412 /nfs/dbraw/zinc/06/94/12/569069412.db2.gz YHRCMQZSRROQQZ-UHFFFAOYSA-N 0 0 424.614 5.422 50 0 HKAARN CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1 ZINC000035972064 569069403 /nfs/dbraw/zinc/06/94/03/569069403.db2.gz FHMYZHNNOUOJMJ-UHFFFAOYSA-N 0 0 418.585 5.360 50 0 HKAARN CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccco1 ZINC000035972077 569069431 /nfs/dbraw/zinc/06/94/31/569069431.db2.gz VNMXNGQEVPTSPO-GOSISDBHSA-N 0 0 408.546 5.096 50 0 HKAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccco1 ZINC000035972080 569069392 /nfs/dbraw/zinc/06/93/92/569069392.db2.gz VNMXNGQEVPTSPO-SFHVURJKSA-N 0 0 408.546 5.096 50 0 HKAARN CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccs1 ZINC000035972093 558796245 /nfs/dbraw/zinc/79/62/45/558796245.db2.gz FDPDQUJUULXCLQ-GOSISDBHSA-N 0 0 424.614 5.564 50 0 HKAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccs1 ZINC000035972096 558796203 /nfs/dbraw/zinc/79/62/03/558796203.db2.gz FDPDQUJUULXCLQ-SFHVURJKSA-N 0 0 424.614 5.564 50 0 HKAARN CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1 ZINC000035972109 558796246 /nfs/dbraw/zinc/79/62/46/558796246.db2.gz QMJFBPMCGVZYCB-HXUWFJFHSA-N 0 0 418.585 5.503 50 0 HKAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1 ZINC000035972111 558796243 /nfs/dbraw/zinc/79/62/43/558796243.db2.gz QMJFBPMCGVZYCB-FQEVSTJZSA-N 0 0 418.585 5.503 50 0 HKAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccc(F)cc1)C1CC1 ZINC000035972157 558796239 /nfs/dbraw/zinc/79/62/39/558796239.db2.gz MKKILAWPYDBDER-UHFFFAOYSA-N 0 0 420.532 5.006 50 0 HKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035972193 558796217 /nfs/dbraw/zinc/79/62/17/558796217.db2.gz GJEIKTQFUVHDAW-UHFFFAOYSA-N 0 0 422.548 5.253 50 0 HKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1cccs1 ZINC000035972205 569069437 /nfs/dbraw/zinc/06/94/37/569069437.db2.gz YHABJFTZJPKXEN-UHFFFAOYSA-N 0 0 410.587 5.176 50 0 HKAARN CCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccccc1 ZINC000035972213 569069399 /nfs/dbraw/zinc/06/93/99/569069399.db2.gz FDJAPSUKYWDCKO-UHFFFAOYSA-N 0 0 404.558 5.114 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CN(C(C)=O)C1CC1 ZINC000035972443 569069472 /nfs/dbraw/zinc/06/94/72/569069472.db2.gz SWEUGFSHVGETRY-UHFFFAOYSA-N 0 0 407.489 5.185 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1cccc(C)c1)C1CC1 ZINC000035972451 569069484 /nfs/dbraw/zinc/06/94/84/569069484.db2.gz MSVOLLHCBFGIEA-UHFFFAOYSA-N 0 0 421.516 5.576 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C(C)C)C(C)C ZINC000035972540 569069510 /nfs/dbraw/zinc/06/95/10/569069510.db2.gz OKIHEIZRYRQBIN-UHFFFAOYSA-N 0 0 423.532 5.759 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(C)C ZINC000035972546 569069522 /nfs/dbraw/zinc/06/95/22/569069522.db2.gz FCJLCQXUEWVHOA-UHFFFAOYSA-N 0 0 409.505 5.513 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CC1)C(C)C ZINC000035972552 569069536 /nfs/dbraw/zinc/06/95/36/569069536.db2.gz ZXSANRVQPAHZKP-UHFFFAOYSA-N 0 0 421.516 5.513 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035972560 569069490 /nfs/dbraw/zinc/06/94/90/569069490.db2.gz WABSSVNPNPBIKR-UHFFFAOYSA-N 0 0 421.516 5.513 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C1CC1 ZINC000035972569 569069498 /nfs/dbraw/zinc/06/94/98/569069498.db2.gz RFFZGUFFSNJTFA-UHFFFAOYSA-N 0 0 407.489 5.267 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035972576 569069499 /nfs/dbraw/zinc/06/94/99/569069499.db2.gz UJWLEWHMVCAGSO-UHFFFAOYSA-N 0 0 419.500 5.267 50 0 HKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)C(C)C ZINC000035972586 569069539 /nfs/dbraw/zinc/06/95/39/569069539.db2.gz RCQWQICSDMPOQG-UHFFFAOYSA-N 0 0 423.532 5.761 50 0 HKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)CC ZINC000035972595 569069500 /nfs/dbraw/zinc/06/95/00/569069500.db2.gz CELGZOAEYNYDSU-UHFFFAOYSA-N 0 0 409.505 5.515 50 0 HKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035972602 569069501 /nfs/dbraw/zinc/06/95/01/569069501.db2.gz YMWDODNPNMZKHY-UHFFFAOYSA-N 0 0 421.516 5.515 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)CC1CC1 ZINC000035972690 569069557 /nfs/dbraw/zinc/06/95/57/569069557.db2.gz UEUPCJGMOLOMKV-UHFFFAOYSA-N 0 0 421.516 5.515 50 0 HKAARN COc1cccc(Oc2c(CN(C(=O)C(C)C)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035972746 569069541 /nfs/dbraw/zinc/06/95/41/569069541.db2.gz QHWOTNBWRUGMHE-UHFFFAOYSA-N 0 0 421.541 5.375 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(C)C ZINC000035972756 569069556 /nfs/dbraw/zinc/06/95/56/569069556.db2.gz FDEVYHCAQOJGEC-UHFFFAOYSA-N 0 0 407.514 5.129 50 0 HKAARN COc1cccc(Oc2c(CN(C(=O)C3CC3)C(C)C)c(C)nn2-c2ccccc2)c1 ZINC000035972760 569069564 /nfs/dbraw/zinc/06/95/64/569069564.db2.gz XHOUQLKWSNZYGC-UHFFFAOYSA-N 0 0 419.525 5.129 50 0 HKAARN COc1cccc(Oc2c(CN(C(=O)C(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035972778 569069574 /nfs/dbraw/zinc/06/95/74/569069574.db2.gz CNFKHBBKTPBTBR-UHFFFAOYSA-N 0 0 419.525 5.129 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C(C)C ZINC000035972801 569069567 /nfs/dbraw/zinc/06/95/67/569069567.db2.gz CWPMHSXPMABCOI-UHFFFAOYSA-N 0 0 421.541 5.376 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)CC ZINC000035972808 569069548 /nfs/dbraw/zinc/06/95/48/569069548.db2.gz PGIQVJUDDGCQRY-UHFFFAOYSA-N 0 0 407.514 5.130 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C1CC1 ZINC000035972813 569069586 /nfs/dbraw/zinc/06/95/86/569069586.db2.gz RWEGMRKSNSXYDB-UHFFFAOYSA-N 0 0 419.525 5.130 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000035972909 569069587 /nfs/dbraw/zinc/06/95/87/569069587.db2.gz LWMCYOSJNUKMPL-UHFFFAOYSA-N 0 0 419.525 5.130 50 0 HKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(C)C ZINC000035973056 569069616 /nfs/dbraw/zinc/06/96/16/569069616.db2.gz VPXUTXMFJNOOQP-UHFFFAOYSA-N 0 0 424.520 5.306 50 0 HKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C1CC1 ZINC000035973062 569069620 /nfs/dbraw/zinc/06/96/20/569069620.db2.gz PGHUBESJKHGYLU-UHFFFAOYSA-N 0 0 422.504 5.060 50 0 HKAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)NCC ZINC000035973069 569069595 /nfs/dbraw/zinc/06/95/95/569069595.db2.gz FTQKISRIZOQOSV-UHFFFAOYSA-N 0 0 424.520 5.308 50 0 HKAARN O=C(c1ccccc1F)N(Cc1ccco1)Cc1nccn1Cc1ccccc1Cl ZINC000035973174 569069601 /nfs/dbraw/zinc/06/96/01/569069601.db2.gz LMGPOZGWIRJEDZ-UHFFFAOYSA-N 0 0 423.875 5.160 50 0 HKAARN CC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000035973258 559189843 /nfs/dbraw/zinc/18/98/43/559189843.db2.gz KRAYDVUIXMTOQZ-UHFFFAOYSA-N 0 0 420.315 5.428 50 0 HKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1cccs1)[C@@H](C)CC ZINC000035973396 569069433 /nfs/dbraw/zinc/06/94/33/569069433.db2.gz AEKCIMCLTKWXBY-KRWDZBQOSA-N 0 0 410.587 5.003 50 0 HKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1cccs1)[C@H](C)CC ZINC000035973398 569069408 /nfs/dbraw/zinc/06/94/08/569069408.db2.gz AEKCIMCLTKWXBY-QGZVFWFLSA-N 0 0 410.587 5.003 50 0 HKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccccc1F)[C@@H](C)CC ZINC000035973404 569069411 /nfs/dbraw/zinc/06/94/11/569069411.db2.gz GQIMRAQKRATIQK-SFHVURJKSA-N 0 0 422.548 5.081 50 0 HKAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1ccccc1F)[C@H](C)CC ZINC000035973406 569069415 /nfs/dbraw/zinc/06/94/15/569069415.db2.gz GQIMRAQKRATIQK-GOSISDBHSA-N 0 0 422.548 5.081 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035975449 569069696 /nfs/dbraw/zinc/06/96/96/569069696.db2.gz PCORYZTYNLZJJO-UHFFFAOYSA-N 0 0 421.928 5.527 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000035975489 569069699 /nfs/dbraw/zinc/06/96/99/569069699.db2.gz XDRWCFTZYHCAMI-UHFFFAOYSA-N 0 0 423.944 5.775 50 0 HKAARN CC(=O)N(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035975529 569069697 /nfs/dbraw/zinc/06/96/97/569069697.db2.gz KSBKBGRKXQYLTP-UHFFFAOYSA-N 0 0 413.880 5.276 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035975636 569069694 /nfs/dbraw/zinc/06/96/94/569069694.db2.gz GBQSQARJCCDLCU-UHFFFAOYSA-N 0 0 403.526 5.374 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)C1CCC1)C1CC1 ZINC000035975638 569069655 /nfs/dbraw/zinc/06/96/55/569069655.db2.gz RZXFGHFGCASWRZ-UHFFFAOYSA-N 0 0 415.537 5.518 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035975645 569069645 /nfs/dbraw/zinc/06/96/45/569069645.db2.gz VLWJVNGLMWDKLI-UHFFFAOYSA-N 0 0 401.510 5.128 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035975757 569069673 /nfs/dbraw/zinc/06/96/73/569069673.db2.gz HCOOUKMDBIHIAN-UHFFFAOYSA-N 0 0 417.553 5.682 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000035975767 569069683 /nfs/dbraw/zinc/06/96/83/569069683.db2.gz HXHMNZJOTBHSRX-UHFFFAOYSA-N 0 0 403.526 5.436 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035975774 569069689 /nfs/dbraw/zinc/06/96/89/569069689.db2.gz ZYDMVEQNQPWLBR-UHFFFAOYSA-N 0 0 415.537 5.436 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C(=O)C(C)C)C1CC1 ZINC000035975819 569069650 /nfs/dbraw/zinc/06/96/50/569069650.db2.gz BZJWMEDIPITTDI-UHFFFAOYSA-N 0 0 421.516 5.513 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C(=O)C1CC1)C1CC1 ZINC000035975832 569069653 /nfs/dbraw/zinc/06/96/53/569069653.db2.gz FANNQAYOOCIYNE-UHFFFAOYSA-N 0 0 419.500 5.267 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)CC ZINC000035976296 569069648 /nfs/dbraw/zinc/06/96/48/569069648.db2.gz ZADVNSDSQDGEKD-UHFFFAOYSA-N 0 0 413.468 5.400 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000035976394 569069654 /nfs/dbraw/zinc/06/96/54/569069654.db2.gz TWRFSVOCAGXCDP-UHFFFAOYSA-N 0 0 421.541 5.376 50 0 HKAARN COc1ccccc1Oc1c(CN(C(=O)C(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976515 558796219 /nfs/dbraw/zinc/79/62/19/558796219.db2.gz ULKXJJGTEQFYAD-UHFFFAOYSA-N 0 0 421.541 5.375 50 0 HKAARN COc1ccccc1Oc1c(CN(C(=O)C2CC2)C(C)C)c(C)nn1-c1ccccc1 ZINC000035976521 569069676 /nfs/dbraw/zinc/06/96/76/569069676.db2.gz ZKEZTYMXJHKJMX-UHFFFAOYSA-N 0 0 419.525 5.129 50 0 HKAARN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)=O ZINC000035976542 569069675 /nfs/dbraw/zinc/06/96/75/569069675.db2.gz DOTINSSQJBBROK-QGZVFWFLSA-N 0 0 407.514 5.129 50 0 HKAARN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)=O ZINC000035976544 569069685 /nfs/dbraw/zinc/06/96/85/569069685.db2.gz DOTINSSQJBBROK-KRWDZBQOSA-N 0 0 407.514 5.129 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@H](C)CC ZINC000035976559 569069674 /nfs/dbraw/zinc/06/96/74/569069674.db2.gz PVJVSYMXGVYCLM-GOSISDBHSA-N 0 0 421.541 5.519 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000035976561 569069687 /nfs/dbraw/zinc/06/96/87/569069687.db2.gz PVJVSYMXGVYCLM-SFHVURJKSA-N 0 0 421.541 5.519 50 0 HKAARN COc1ccccc1Oc1c(CN(C(=O)C(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000035976598 569069695 /nfs/dbraw/zinc/06/96/95/569069695.db2.gz NDQJXAKSFFLTFO-UHFFFAOYSA-N 0 0 419.525 5.129 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1 ZINC000035976631 569069664 /nfs/dbraw/zinc/06/96/64/569069664.db2.gz GBKQWFKBKZBXSB-UHFFFAOYSA-N 0 0 419.525 5.130 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000035976717 569069691 /nfs/dbraw/zinc/06/96/91/569069691.db2.gz LKBUXQWKFXRUJE-UHFFFAOYSA-N 0 0 419.525 5.130 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000035976743 569069647 /nfs/dbraw/zinc/06/96/47/569069647.db2.gz JUFLOAWOKYGGKY-UHFFFAOYSA-N 0 0 421.541 5.376 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C(C)C ZINC000035976879 558796229 /nfs/dbraw/zinc/79/62/29/558796229.db2.gz KYEPWYNQJOOUHP-UHFFFAOYSA-N 0 0 421.541 5.376 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035977024 569069665 /nfs/dbraw/zinc/06/96/65/569069665.db2.gz AXWQFSAOHAFMJS-UHFFFAOYSA-N 0 0 401.510 5.182 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)C1CCC1 ZINC000035977035 569069678 /nfs/dbraw/zinc/06/96/78/569069678.db2.gz GOAXCJPQHTVHNW-UHFFFAOYSA-N 0 0 417.553 5.820 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC1CC1)C(=O)C1CC1 ZINC000035977140 569069666 /nfs/dbraw/zinc/06/96/66/569069666.db2.gz OYELCGNYVRKFGC-UHFFFAOYSA-N 0 0 415.537 5.430 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000035977159 569069679 /nfs/dbraw/zinc/06/96/79/569069679.db2.gz XALVFDGCQAMCLE-UHFFFAOYSA-N 0 0 409.505 5.413 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CC1 ZINC000035977206 569069662 /nfs/dbraw/zinc/06/96/62/569069662.db2.gz QHLWQIOZVGUAOW-UHFFFAOYSA-N 0 0 407.489 5.166 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C(C)C ZINC000035977212 569069690 /nfs/dbraw/zinc/06/96/90/569069690.db2.gz LXRIAFBMSDSZQT-UHFFFAOYSA-N 0 0 409.505 5.413 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CCC1 ZINC000035977214 569069681 /nfs/dbraw/zinc/06/96/81/569069681.db2.gz WVDKYYOSLQAZHC-UHFFFAOYSA-N 0 0 421.516 5.557 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)C1CC1 ZINC000035977219 569069656 /nfs/dbraw/zinc/06/96/56/569069656.db2.gz PFIMVSUUQRQBJI-UHFFFAOYSA-N 0 0 407.489 5.167 50 0 HKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000035977271 558796227 /nfs/dbraw/zinc/79/62/27/558796227.db2.gz ILVKPLBLGNVCEL-UHFFFAOYSA-N 0 0 421.516 5.413 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000035977279 558796244 /nfs/dbraw/zinc/79/62/44/558796244.db2.gz RBZZKRKNKOTDLO-UHFFFAOYSA-N 0 0 407.489 5.167 50 0 HKAARN Cn1nc(-c2ccccc2)c(CN(CC2CC2)C(=O)C2CC2)c1Oc1ccccc1F ZINC000035977283 569069707 /nfs/dbraw/zinc/06/97/07/569069707.db2.gz PXDOKEWHCIFPSH-UHFFFAOYSA-N 0 0 419.500 5.167 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000035977296 558796231 /nfs/dbraw/zinc/79/62/31/558796231.db2.gz OUVVJMWBVQSRFH-UHFFFAOYSA-N 0 0 409.505 5.413 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)C1CC1 ZINC000035977298 569069743 /nfs/dbraw/zinc/06/97/43/569069743.db2.gz NNAVKIFHZUOOAE-UHFFFAOYSA-N 0 0 421.516 5.413 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)C1CCC1 ZINC000035977416 569069725 /nfs/dbraw/zinc/06/97/25/569069725.db2.gz OKWHQZHKIXDYRX-UHFFFAOYSA-N 0 0 421.516 5.557 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)C1CC1 ZINC000035977421 569069740 /nfs/dbraw/zinc/06/97/40/569069740.db2.gz DQZXJYREUQBOHC-UHFFFAOYSA-N 0 0 407.489 5.167 50 0 HKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000035977508 569069701 /nfs/dbraw/zinc/06/97/01/569069701.db2.gz ZLVBLHJQYBIIRM-UHFFFAOYSA-N 0 0 421.516 5.413 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000035977519 569069713 /nfs/dbraw/zinc/06/97/13/569069713.db2.gz FHXDTXPQBYKQBR-UHFFFAOYSA-N 0 0 407.489 5.167 50 0 HKAARN CCC(=O)N(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000035977572 569069727 /nfs/dbraw/zinc/06/97/27/569069727.db2.gz ZEFOYTPQPOYITM-UHFFFAOYSA-N 0 0 421.516 5.828 50 0 HKAARN CC(=O)N(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035977665 569069704 /nfs/dbraw/zinc/06/97/04/569069704.db2.gz QXQHBTMISLSCIG-UHFFFAOYSA-N 0 0 407.489 5.438 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CCC1 ZINC000035977786 569069726 /nfs/dbraw/zinc/06/97/26/569069726.db2.gz VEQFVAZGEGUPGM-UHFFFAOYSA-N 0 0 417.553 5.664 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035977796 569069734 /nfs/dbraw/zinc/06/97/34/569069734.db2.gz CJCPATRZCMLPCX-UHFFFAOYSA-N 0 0 403.526 5.274 50 0 HKAARN CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035977818 569069705 /nfs/dbraw/zinc/06/97/05/569069705.db2.gz QGPQYRHQNNGPAI-UHFFFAOYSA-N 0 0 415.493 5.411 50 0 HKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)C2CCC2)C2CC2)c1Oc1ccccc1 ZINC000035977834 569069706 /nfs/dbraw/zinc/06/97/06/569069706.db2.gz NXVCVFWHKXYSDN-UHFFFAOYSA-N 0 0 401.510 5.171 50 0 HKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)c2ccccc2)C2CC2)c1Oc1ccccc1 ZINC000035977843 558796209 /nfs/dbraw/zinc/79/62/09/558796209.db2.gz BNUXOYMRWHQMPJ-UHFFFAOYSA-N 0 0 423.516 5.684 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CCCC1 ZINC000035977878 569069700 /nfs/dbraw/zinc/06/97/00/569069700.db2.gz GJXBXSRTJPYMFH-UHFFFAOYSA-N 0 0 417.553 5.808 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035978184 569069715 /nfs/dbraw/zinc/06/97/15/569069715.db2.gz MBHSYDKMBQNIJT-UHFFFAOYSA-N 0 0 418.541 5.309 50 0 HKAARN CCCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000035978187 569069729 /nfs/dbraw/zinc/06/97/29/569069729.db2.gz URLHACYBXAAHSL-UHFFFAOYSA-N 0 0 418.541 5.311 50 0 HKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000035978215 569069732 /nfs/dbraw/zinc/06/97/32/569069732.db2.gz UXSHTAKAMCEKTM-UHFFFAOYSA-N 0 0 418.541 5.229 50 0 HKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000035978264 569069744 /nfs/dbraw/zinc/06/97/44/569069744.db2.gz HSWVKKMWDTXCOQ-UHFFFAOYSA-N 0 0 422.504 5.060 50 0 HKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000035978567 558796228 /nfs/dbraw/zinc/79/62/28/558796228.db2.gz WBEVIOZZKGFQQS-UHFFFAOYSA-N 0 0 420.557 5.611 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C(=O)NC(C)C)C1CC1 ZINC000035978574 569069746 /nfs/dbraw/zinc/06/97/46/569069746.db2.gz IEHNPFOBJIENCP-UHFFFAOYSA-N 0 0 418.541 5.364 50 0 HKAARN CCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000035978576 569069778 /nfs/dbraw/zinc/06/97/78/569069778.db2.gz KVXOIQPCANUTOS-UHFFFAOYSA-N 0 0 418.541 5.365 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)NCC ZINC000035978581 569069793 /nfs/dbraw/zinc/06/97/93/569069793.db2.gz RDLKVSNFRUTNJR-UHFFFAOYSA-N 0 0 406.530 5.223 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)NC(C)C ZINC000035978583 558796206 /nfs/dbraw/zinc/79/62/06/558796206.db2.gz CVKYZPKFXFQSJS-UHFFFAOYSA-N 0 0 420.557 5.611 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035978585 569069785 /nfs/dbraw/zinc/06/97/85/569069785.db2.gz GOWURTSRAMRODU-UHFFFAOYSA-N 0 0 420.557 5.613 50 0 HKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000035978617 569069761 /nfs/dbraw/zinc/06/97/61/569069761.db2.gz QCYSUMXLQLLVIU-UHFFFAOYSA-N 0 0 424.520 5.206 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000035978636 569069794 /nfs/dbraw/zinc/06/97/94/569069794.db2.gz AYMNFLFIOAQWEN-UHFFFAOYSA-N 0 0 424.520 5.349 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)NC(C)C ZINC000035978642 569069747 /nfs/dbraw/zinc/06/97/47/569069747.db2.gz NGOMDOPDLFLZII-UHFFFAOYSA-N 0 0 424.520 5.349 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000035978644 569069762 /nfs/dbraw/zinc/06/97/62/569069762.db2.gz OUOHUIYNSNAOBE-UHFFFAOYSA-N 0 0 424.520 5.350 50 0 HKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000035978676 569069750 /nfs/dbraw/zinc/06/97/50/569069750.db2.gz FDISKMTYHFFLQT-UHFFFAOYSA-N 0 0 424.520 5.206 50 0 HKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000035978702 558796247 /nfs/dbraw/zinc/79/62/47/558796247.db2.gz MTJIBVPHQUCBDF-UHFFFAOYSA-N 0 0 424.520 5.347 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000035978704 558796242 /nfs/dbraw/zinc/79/62/42/558796242.db2.gz FEVGBEROKHLHQD-UHFFFAOYSA-N 0 0 424.520 5.349 50 0 HKAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1 ZINC000035978708 569069788 /nfs/dbraw/zinc/06/97/88/569069788.db2.gz SYCVTWHJWHNDGL-UHFFFAOYSA-N 0 0 422.504 5.101 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1 ZINC000035978710 569069767 /nfs/dbraw/zinc/06/97/67/569069767.db2.gz DDGFXKSZYLIGOR-UHFFFAOYSA-N 0 0 422.504 5.103 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000035978718 569069782 /nfs/dbraw/zinc/06/97/82/569069782.db2.gz YZPKDYINDMCRFR-UHFFFAOYSA-N 0 0 424.520 5.350 50 0 HKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000035978824 558796241 /nfs/dbraw/zinc/79/62/41/558796241.db2.gz UIMZFNWQHSDEJV-UHFFFAOYSA-N 0 0 406.530 5.067 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)NC(C)C ZINC000035978826 558796195 /nfs/dbraw/zinc/79/61/95/558796195.db2.gz LPAJRYNVGDECSQ-UHFFFAOYSA-N 0 0 420.557 5.455 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000035978828 569069781 /nfs/dbraw/zinc/06/97/81/569069781.db2.gz FERCZPJNISNJRR-UHFFFAOYSA-N 0 0 420.557 5.457 50 0 HKAARN Cn1nc(-c2ccccc2)c(CN(C(=O)NC(C)(C)C)C2CC2)c1Oc1ccccc1 ZINC000035978838 569069783 /nfs/dbraw/zinc/06/97/83/569069783.db2.gz FLOMGCVDKYQMNO-UHFFFAOYSA-N 0 0 418.541 5.352 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)NC(C)C ZINC000035978847 569069751 /nfs/dbraw/zinc/06/97/51/569069751.db2.gz MFRQPSARCYWZCJ-UHFFFAOYSA-N 0 0 406.530 5.209 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000035978849 569069775 /nfs/dbraw/zinc/06/97/75/569069775.db2.gz FAKRUNUZZGNUET-UHFFFAOYSA-N 0 0 406.530 5.211 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC1CC1 ZINC000035978874 569069764 /nfs/dbraw/zinc/06/97/64/569069764.db2.gz VVLNXHSCBHMGBE-UHFFFAOYSA-N 0 0 418.541 5.211 50 0 HKAARN CC(C)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F ZINC000035979641 569071729 /nfs/dbraw/zinc/07/17/29/569071729.db2.gz QSRHLUSZLACSMJ-UHFFFAOYSA-N 0 0 420.315 5.428 50 0 HKAARN CC(C)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(F)c1 ZINC000035979644 569071740 /nfs/dbraw/zinc/07/17/40/569071740.db2.gz YDRLKYRKCFKKAB-UHFFFAOYSA-N 0 0 420.315 5.428 50 0 HKAARN CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000035979651 569071700 /nfs/dbraw/zinc/07/17/00/569071700.db2.gz YZGHZVFIQMLGGQ-UHFFFAOYSA-N 0 0 422.743 5.554 50 0 HKAARN O=C(c1ccccc1F)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000035979653 569071750 /nfs/dbraw/zinc/07/17/50/569071750.db2.gz WIUPFMQFBZWFRD-UHFFFAOYSA-N 0 0 418.299 5.182 50 0 HKAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1nccn1Cc1cccc(F)c1 ZINC000035979754 569071799 /nfs/dbraw/zinc/07/17/99/569071799.db2.gz AXCOYWPIEQSWFK-UHFFFAOYSA-N 0 0 423.875 5.160 50 0 HKAARN CC(C)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1F ZINC000035979785 569071767 /nfs/dbraw/zinc/07/17/67/569071767.db2.gz PYPZCQXUWQBHMN-UHFFFAOYSA-N 0 0 420.315 5.428 50 0 HKAARN CC(C)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1 ZINC000035979787 569071785 /nfs/dbraw/zinc/07/17/85/569071785.db2.gz HXHZQLQNRARYNC-UHFFFAOYSA-N 0 0 420.315 5.428 50 0 HKAARN CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000035979791 559190020 /nfs/dbraw/zinc/19/00/20/559190020.db2.gz XDZGFQPPQXRNNK-UHFFFAOYSA-N 0 0 422.743 5.554 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035979796 559190024 /nfs/dbraw/zinc/19/00/24/559190024.db2.gz VVJUIHZWOCRBFX-UHFFFAOYSA-N 0 0 418.299 5.182 50 0 HKAARN O=C(c1cccs1)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000035979820 569071788 /nfs/dbraw/zinc/07/17/88/569071788.db2.gz ANABHIQNGYESAS-UHFFFAOYSA-N 0 0 420.365 5.352 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035980089 569071794 /nfs/dbraw/zinc/07/17/94/569071794.db2.gz NXDMRFITEKLIRN-UHFFFAOYSA-N 0 0 421.516 5.513 50 0 HKAARN CCC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035980093 569071791 /nfs/dbraw/zinc/07/17/91/569071791.db2.gz PSWJJXSYIRSVCM-UHFFFAOYSA-N 0 0 407.489 5.267 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000035980135 569071777 /nfs/dbraw/zinc/07/17/77/569071777.db2.gz RAAIXUOSDDUCNA-UHFFFAOYSA-N 0 0 411.933 5.773 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C1CC1)C(C)C ZINC000035980137 569071774 /nfs/dbraw/zinc/07/17/74/569071774.db2.gz XJPFURDVTSTYLM-UHFFFAOYSA-N 0 0 423.944 5.773 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C(C)C)C1CC1 ZINC000035980146 569071792 /nfs/dbraw/zinc/07/17/92/569071792.db2.gz XLLANMJIGNRKCX-UHFFFAOYSA-N 0 0 423.944 5.773 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000035980151 569071764 /nfs/dbraw/zinc/07/17/64/569071764.db2.gz SVUZUIZZRXIOHG-UHFFFAOYSA-N 0 0 409.917 5.527 50 0 HKAARN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(C(=O)C1CC1)C1CC1 ZINC000035980153 569071787 /nfs/dbraw/zinc/07/17/87/569071787.db2.gz VOVOZGGAOBDKPE-UHFFFAOYSA-N 0 0 421.928 5.527 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)CC ZINC000035980167 569071807 /nfs/dbraw/zinc/07/18/07/569071807.db2.gz GLXDOBHHZDOTKH-UHFFFAOYSA-N 0 0 411.933 5.775 50 0 HKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035980169 569071758 /nfs/dbraw/zinc/07/17/58/569071758.db2.gz URQIXJWGOYCXSG-UHFFFAOYSA-N 0 0 423.944 5.775 50 0 HKAARN CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000035980203 569071773 /nfs/dbraw/zinc/07/17/73/569071773.db2.gz CNMVKYCMWWIRPF-UHFFFAOYSA-N 0 0 409.917 5.385 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000035980209 569071782 /nfs/dbraw/zinc/07/17/82/569071782.db2.gz NAQZKTXNEMWJPP-UHFFFAOYSA-N 0 0 423.944 5.775 50 0 HKAARN COc1cccc(Oc2c(CN(C(=O)C(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980238 569071790 /nfs/dbraw/zinc/07/17/90/569071790.db2.gz JQUGCSZXTDDQCK-UHFFFAOYSA-N 0 0 421.541 5.281 50 0 HKAARN COc1cccc(Oc2c(CN(C(=O)C(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980242 569071766 /nfs/dbraw/zinc/07/17/66/569071766.db2.gz FXXVSMFVXWZAQD-UHFFFAOYSA-N 0 0 419.525 5.035 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)C(C)C ZINC000035980247 569071798 /nfs/dbraw/zinc/07/17/98/569071798.db2.gz AIVGNKCZTZPQNX-UHFFFAOYSA-N 0 0 421.541 5.283 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)C1CC1 ZINC000035980251 569071810 /nfs/dbraw/zinc/07/18/10/569071810.db2.gz IDAWGRLWBTWQSE-UHFFFAOYSA-N 0 0 419.525 5.037 50 0 HKAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000035980296 569071771 /nfs/dbraw/zinc/07/17/71/569071771.db2.gz XLDQGRBKEIJTBG-UHFFFAOYSA-N 0 0 422.504 5.060 50 0 HKAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000035980318 569071817 /nfs/dbraw/zinc/07/18/17/569071817.db2.gz PGLQVGFBRDVINE-UHFFFAOYSA-N 0 0 424.932 5.320 50 0 HKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000035980360 569071822 /nfs/dbraw/zinc/07/18/22/569071822.db2.gz DZLCPDSIWHGANP-UHFFFAOYSA-N 0 0 423.944 5.680 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000035980362 569071849 /nfs/dbraw/zinc/07/18/49/569071849.db2.gz IMHAAEJSTNKVAA-UHFFFAOYSA-N 0 0 409.917 5.434 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)CC ZINC000035980373 569071838 /nfs/dbraw/zinc/07/18/38/569071838.db2.gz LPNXDWGEISZLJZ-UHFFFAOYSA-N 0 0 411.933 5.681 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)C1CC1 ZINC000035980375 569071843 /nfs/dbraw/zinc/07/18/43/569071843.db2.gz GWWGMKALSOBPEN-UHFFFAOYSA-N 0 0 423.944 5.681 50 0 HKAARN CC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000035980396 569071864 /nfs/dbraw/zinc/07/18/64/569071864.db2.gz WVCCNHZTDARDPZ-UHFFFAOYSA-N 0 0 409.917 5.291 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000035980402 569071828 /nfs/dbraw/zinc/07/18/28/569071828.db2.gz HOTFQCGNZMGQEU-UHFFFAOYSA-N 0 0 423.944 5.681 50 0 HKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000035980420 569071862 /nfs/dbraw/zinc/07/18/62/569071862.db2.gz IDRDIHGBSVJBTL-UHFFFAOYSA-N 0 0 423.944 5.680 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035980429 569071825 /nfs/dbraw/zinc/07/18/25/569071825.db2.gz SALGMXGOUXDORA-UHFFFAOYSA-N 0 0 423.944 5.681 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000035980448 569071836 /nfs/dbraw/zinc/07/18/36/569071836.db2.gz JMVTYAVDDQNIFU-UHFFFAOYSA-N 0 0 421.541 5.283 50 0 HKAARN COc1ccccc1Oc1c(CN(C(=O)C(C)C)C(C)C)c(-c2ccccc2)nn1C ZINC000035980485 569071856 /nfs/dbraw/zinc/07/18/56/569071856.db2.gz OLMKVJHXHLHGMS-UHFFFAOYSA-N 0 0 421.541 5.281 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(C)C ZINC000035980490 569071840 /nfs/dbraw/zinc/07/18/40/569071840.db2.gz OGPADTOERRFDEM-UHFFFAOYSA-N 0 0 407.514 5.035 50 0 HKAARN COc1ccccc1Oc1c(CN(C(=O)C2CC2)C(C)C)c(-c2ccccc2)nn1C ZINC000035980492 558796367 /nfs/dbraw/zinc/79/63/67/558796367.db2.gz HHTZLBYXKJHWTO-UHFFFAOYSA-N 0 0 419.525 5.035 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)C(C)C ZINC000035980526 569071907 /nfs/dbraw/zinc/07/19/07/569071907.db2.gz FAFKTLYEDJWOAP-UHFFFAOYSA-N 0 0 421.541 5.283 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)CC ZINC000035980530 569071884 /nfs/dbraw/zinc/07/18/84/569071884.db2.gz XFEBQCJCEDWDJV-UHFFFAOYSA-N 0 0 407.514 5.037 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC1CC1 ZINC000035980555 569071882 /nfs/dbraw/zinc/07/18/82/569071882.db2.gz OPQXGZKXYWZBND-UHFFFAOYSA-N 0 0 419.525 5.037 50 0 HKAARN COc1ccc(Oc2c(CN(C(=O)C3CC3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000035980596 569071886 /nfs/dbraw/zinc/07/18/86/569071886.db2.gz GYWYTBJTYMRAMK-UHFFFAOYSA-N 0 0 419.525 5.035 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(=O)C1CC1 ZINC000035980610 569071868 /nfs/dbraw/zinc/07/18/68/569071868.db2.gz QVLFGASJFJCOPN-UHFFFAOYSA-N 0 0 419.525 5.037 50 0 HKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000035980639 569071890 /nfs/dbraw/zinc/07/18/90/569071890.db2.gz QGLAOIPGIODUJK-UHFFFAOYSA-N 0 0 419.525 5.037 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)C3CCC3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980707 569071917 /nfs/dbraw/zinc/07/19/17/569071917.db2.gz VEYNAYNSMLFWTO-UHFFFAOYSA-N 0 0 417.553 5.725 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)C3CC3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980712 569071878 /nfs/dbraw/zinc/07/18/78/569071878.db2.gz FYBFMIKYJPBYDI-UHFFFAOYSA-N 0 0 403.526 5.335 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)C(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980723 558796373 /nfs/dbraw/zinc/79/63/73/558796373.db2.gz NOSMBIDQIZDBEE-UHFFFAOYSA-N 0 0 403.526 5.335 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)C3CCC3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980724 569071896 /nfs/dbraw/zinc/07/18/96/569071896.db2.gz AGQBSQPKMSWADW-UHFFFAOYSA-N 0 0 415.537 5.479 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)C3CC3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980730 569071879 /nfs/dbraw/zinc/07/18/79/569071879.db2.gz GPWONKDWYKKPOH-UHFFFAOYSA-N 0 0 401.510 5.089 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C(C)C ZINC000035980741 569071899 /nfs/dbraw/zinc/07/18/99/569071899.db2.gz WKZUXMALNCDVPS-UHFFFAOYSA-N 0 0 405.542 5.582 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCC1 ZINC000035980742 569071867 /nfs/dbraw/zinc/07/18/67/569071867.db2.gz HLZVLIHVNONEQK-UHFFFAOYSA-N 0 0 417.553 5.727 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CC1 ZINC000035980747 569071880 /nfs/dbraw/zinc/07/18/80/569071880.db2.gz IIUWXDLWTZWLTB-UHFFFAOYSA-N 0 0 403.526 5.336 50 0 HKAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000035980883 569071965 /nfs/dbraw/zinc/07/19/65/569071965.db2.gz SOAVKKLKVUZCSK-UHFFFAOYSA-N 0 0 406.530 5.128 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)NC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000035980884 569071938 /nfs/dbraw/zinc/07/19/38/569071938.db2.gz NYRNNIOJBAGLSF-UHFFFAOYSA-N 0 0 420.557 5.516 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000035980885 569071953 /nfs/dbraw/zinc/07/19/53/569071953.db2.gz MPYIKDMOCWECAM-UHFFFAOYSA-N 0 0 420.557 5.518 50 0 HKAARN Cc1cccc(Oc2c(CN(C(=O)NC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980887 569071967 /nfs/dbraw/zinc/07/19/67/569071967.db2.gz UKKMEEMORBORCY-UHFFFAOYSA-N 0 0 418.541 5.270 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000035980888 569071945 /nfs/dbraw/zinc/07/19/45/569071945.db2.gz GVYAUBPBTWFNNO-UHFFFAOYSA-N 0 0 418.541 5.272 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)NCC ZINC000035980889 569071956 /nfs/dbraw/zinc/07/19/56/569071956.db2.gz LQSJBGIJAFLHNN-UHFFFAOYSA-N 0 0 406.530 5.129 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)NC(C)C ZINC000035980890 569071963 /nfs/dbraw/zinc/07/19/63/569071963.db2.gz NUZPOKAUEINVFP-UHFFFAOYSA-N 0 0 420.557 5.518 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000035980891 569071944 /nfs/dbraw/zinc/07/19/44/569071944.db2.gz FFRGACARTBLLDS-UHFFFAOYSA-N 0 0 420.557 5.519 50 0 HKAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000035980901 558796348 /nfs/dbraw/zinc/79/63/48/558796348.db2.gz SDXYRIVHDWDWKM-UHFFFAOYSA-N 0 0 424.520 5.349 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(=O)NC(C)C ZINC000035980905 569071923 /nfs/dbraw/zinc/07/19/23/569071923.db2.gz HWCITIWCNYEAMI-UHFFFAOYSA-N 0 0 424.520 5.349 50 0 HKAARN CCCNC(=O)N(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000035980906 558796401 /nfs/dbraw/zinc/79/64/01/558796401.db2.gz RERWMYZKBROSHH-UHFFFAOYSA-N 0 0 424.520 5.350 50 0 HKAARN Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000035981764 569072040 /nfs/dbraw/zinc/07/20/40/569072040.db2.gz WGOMCVDNWAAJEY-UHFFFAOYSA-N 0 0 409.489 5.517 50 0 HKAARN CC(C)c1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000035987237 569074153 /nfs/dbraw/zinc/07/41/53/569074153.db2.gz UFTCTXLRAJCYTR-UHFFFAOYSA-N 0 0 423.516 5.989 50 0 HKAARN CC(C)c1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCc2ccccc2)c1 ZINC000035987282 569074186 /nfs/dbraw/zinc/07/41/86/569074186.db2.gz XPIZQESELXMGMN-UHFFFAOYSA-N 0 0 423.516 5.989 50 0 HKAARN Cc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](C)c1ccccc1 ZINC000035987302 569074192 /nfs/dbraw/zinc/07/41/92/569074192.db2.gz DQFOQQIASZQPJB-IBGZPJMESA-N 0 0 409.489 5.735 50 0 HKAARN Cc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1ccccc1 ZINC000035987303 569074161 /nfs/dbraw/zinc/07/41/61/569074161.db2.gz DQFOQQIASZQPJB-LJQANCHMSA-N 0 0 409.489 5.735 50 0 HKAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3)c(N3CCC(C)CC3)n2)cc1 ZINC000035987995 558837343 /nfs/dbraw/zinc/83/73/43/558837343.db2.gz RHJILWAAMIAQFS-UHFFFAOYSA-N 0 0 404.489 5.080 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)NCc3ccccc3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988713 569074328 /nfs/dbraw/zinc/07/43/28/569074328.db2.gz BGIBDHOVXKFVHW-UHFFFAOYSA-N 0 0 414.553 5.151 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N3CCC(C)CC3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988734 569074366 /nfs/dbraw/zinc/07/43/66/569074366.db2.gz SFOSLLNENSUXIF-UHFFFAOYSA-N 0 0 406.574 5.093 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988739 569074318 /nfs/dbraw/zinc/07/43/18/569074318.db2.gz XZOFUMNGQIYDRP-UHFFFAOYSA-N 0 0 420.601 5.626 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)NCc3ccccc3)c(N(C)c3ccccc3)n2)c1 ZINC000035988742 569074333 /nfs/dbraw/zinc/07/43/33/569074333.db2.gz CNFAPAXGLGXIFZ-UHFFFAOYSA-N 0 0 408.505 5.150 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)c3ccccc3)n2)c1 ZINC000035988746 569074334 /nfs/dbraw/zinc/07/43/34/569074334.db2.gz ZBKYCODFOMKJDI-FQEVSTJZSA-N 0 0 422.532 5.711 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N(C)c3ccccc3)n2)c1 ZINC000035988747 569074365 /nfs/dbraw/zinc/07/43/65/569074365.db2.gz ZBKYCODFOMKJDI-HXUWFJFHSA-N 0 0 422.532 5.711 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N3CCC(C)CC3)c(N(C)c3ccccc3)n2)c1 ZINC000035988760 569074342 /nfs/dbraw/zinc/07/43/42/569074342.db2.gz JUDLWYSYJUEWNL-UHFFFAOYSA-N 0 0 400.526 5.092 50 0 HKAARN Cc1cccc(-c2ncc(C(=O)N(C)C3CCCCC3)c(N(C)c3ccccc3)n2)c1 ZINC000035988765 569074327 /nfs/dbraw/zinc/07/43/27/569074327.db2.gz CNRQQGOHJLWFJW-UHFFFAOYSA-N 0 0 414.553 5.625 50 0 HKAARN Cc1ccc(N(C)c2nc(-c3cccc(C)c3)ncc2C(=O)NCc2ccccc2)cc1 ZINC000035992381 569074765 /nfs/dbraw/zinc/07/47/65/569074765.db2.gz GVBBGBJSRYTALY-UHFFFAOYSA-N 0 0 422.532 5.458 50 0 HKAARN CCN(CC)C(=O)c1cnc(-c2ccc(OC)cc2)nc1N(CC)c1cccc(C)c1 ZINC000035992384 569074776 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/nfs/dbraw/zinc/07/67/16/569076716.db2.gz ZUDYXWSLALQMCG-IBGZPJMESA-N 0 0 424.928 5.433 50 0 HKAARN Cc1ccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3Cl)no2)c(C)c1 ZINC000036016402 569076740 /nfs/dbraw/zinc/07/67/40/569076740.db2.gz ZUDYXWSLALQMCG-LJQANCHMSA-N 0 0 424.928 5.433 50 0 HKAARN Cc1ccc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000036016424 569076671 /nfs/dbraw/zinc/07/66/71/569076671.db2.gz BUMAVHUNKHWOTI-NRFANRHFSA-N 0 0 424.928 5.433 50 0 HKAARN Cc1ccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000036016427 569076667 /nfs/dbraw/zinc/07/66/67/569076667.db2.gz BUMAVHUNKHWOTI-OAQYLSRUSA-N 0 0 424.928 5.433 50 0 HKAARN COc1ccc(C(=O)N(Cc2cc(-c3ccccc3)on2)Cc2ccc(F)cc2)cc1 ZINC000036019155 569077320 /nfs/dbraw/zinc/07/73/20/569077320.db2.gz WTEZCBHIQUSRDO-UHFFFAOYSA-N 0 0 416.452 5.332 50 0 HKAARN Cc1ccc(C(=O)N(Cc2cc(-c3ccccc3)on2)Cc2ccc(F)cc2)cc1 ZINC000036019157 569077306 /nfs/dbraw/zinc/07/73/06/569077306.db2.gz DEZCRODWWAXKGP-UHFFFAOYSA-N 0 0 400.453 5.632 50 0 HKAARN O=C(c1ccc(Cl)cc1)N(Cc1cc(-c2ccccc2)on1)Cc1ccc(F)cc1 ZINC000036019158 569077299 /nfs/dbraw/zinc/07/72/99/569077299.db2.gz CTWDAGRFDHIKIB-UHFFFAOYSA-N 0 0 420.871 5.977 50 0 HKAARN COc1cccc(C(=O)N(Cc2cc(-c3ccccc3)on2)Cc2ccc(F)cc2)c1 ZINC000036019161 569077319 /nfs/dbraw/zinc/07/73/19/569077319.db2.gz OSCYJYKSEDHXPS-UHFFFAOYSA-N 0 0 416.452 5.332 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3)n2)C(C)C)cc1 ZINC000036031507 569081043 /nfs/dbraw/zinc/08/10/43/569081043.db2.gz DOXJGADCWUIRAL-UHFFFAOYSA-N 0 0 408.567 5.698 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)cc1 ZINC000036031509 569081124 /nfs/dbraw/zinc/08/11/24/569081124.db2.gz UGCSUHUTYUUKPF-UHFFFAOYSA-N 0 0 412.942 5.489 50 0 HKAARN O=C(c1cccs1)N(Cc1csc(COc2cccc(Cl)c2)n1)C1CC1 ZINC000036031720 569081069 /nfs/dbraw/zinc/08/10/69/569081069.db2.gz NAIOWOOZPQSHHU-UHFFFAOYSA-N 0 0 404.944 5.242 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)c1 ZINC000036031738 569081143 /nfs/dbraw/zinc/08/11/43/569081143.db2.gz RSRUZVKHBAHEMX-UHFFFAOYSA-N 0 0 412.530 5.468 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036031746 569081120 /nfs/dbraw/zinc/08/11/20/569081120.db2.gz XHVMGHGFQKMXJS-UHFFFAOYSA-N 0 0 414.958 5.736 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036031747 569081141 /nfs/dbraw/zinc/08/11/41/569081141.db2.gz XETZKAZCELDDNH-UHFFFAOYSA-N 0 0 410.539 5.092 50 0 HKAARN CC(C)CN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)NC(C)(C)C ZINC000036031777 569081118 /nfs/dbraw/zinc/08/11/18/569081118.db2.gz BRAKDLYOURWVKN-UHFFFAOYSA-N 0 0 417.619 5.812 50 0 HKAARN CC(C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccs1 ZINC000036032021 569081122 /nfs/dbraw/zinc/08/11/22/569081122.db2.gz DSPFLDMGEBAYPZ-UHFFFAOYSA-N 0 0 406.960 5.488 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036032170 569081296 /nfs/dbraw/zinc/08/12/96/569081296.db2.gz QRCDOCNMZHOVTA-UHFFFAOYSA-N 0 0 414.958 5.736 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036032186 569081292 /nfs/dbraw/zinc/08/12/92/569081292.db2.gz OTQXSFDEQOJGFY-QGZVFWFLSA-N 0 0 412.530 5.611 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036032188 569081298 /nfs/dbraw/zinc/08/12/98/569081298.db2.gz OTQXSFDEQOJGFY-KRWDZBQOSA-N 0 0 412.530 5.611 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036032190 569081308 /nfs/dbraw/zinc/08/13/08/569081308.db2.gz SSZAGDPCUHRKFS-LJQANCHMSA-N 0 0 408.567 5.400 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036032192 569081294 /nfs/dbraw/zinc/08/12/94/569081294.db2.gz SSZAGDPCUHRKFS-IBGZPJMESA-N 0 0 408.567 5.400 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036032262 569081258 /nfs/dbraw/zinc/08/12/58/569081258.db2.gz LPTHUOGGPWXEHD-UHFFFAOYSA-N 0 0 408.567 5.700 50 0 HKAARN Cc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034034 569080133 /nfs/dbraw/zinc/08/01/33/569080133.db2.gz FMZICJPPLRSEBT-KRWDZBQOSA-N 0 0 401.478 5.538 50 0 HKAARN Cc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036034035 569080092 /nfs/dbraw/zinc/08/00/92/569080092.db2.gz FMZICJPPLRSEBT-QGZVFWFLSA-N 0 0 401.478 5.538 50 0 HKAARN COc1cccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036034099 569080155 /nfs/dbraw/zinc/08/01/55/569080155.db2.gz UYRYHBIPCGVZOJ-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036034100 569080151 /nfs/dbraw/zinc/08/01/51/569080151.db2.gz UYRYHBIPCGVZOJ-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2ccc(Cl)cc2)cc1F ZINC000036034101 569080156 /nfs/dbraw/zinc/08/01/56/569080156.db2.gz CEAMRPWXWJOINW-INIZCTEOSA-N 0 0 403.906 5.744 50 0 HKAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)cc1F ZINC000036034102 569080159 /nfs/dbraw/zinc/08/01/59/569080159.db2.gz CEAMRPWXWJOINW-MRXNPFEDSA-N 0 0 403.906 5.744 50 0 HKAARN CC(C)N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000036049469 558797254 /nfs/dbraw/zinc/79/72/54/558797254.db2.gz UEEMVQBVDFISIM-LBPRGKRZSA-N 0 0 419.312 5.233 50 0 HKAARN CC(C)N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000036049471 558797180 /nfs/dbraw/zinc/79/71/80/558797180.db2.gz UEEMVQBVDFISIM-GFCCVEGCSA-N 0 0 419.312 5.233 50 0 HKAARN Fc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000036056437 569084501 /nfs/dbraw/zinc/08/45/01/569084501.db2.gz RBXLXPAHENRLEG-MHCOWZRKSA-N 0 0 400.472 6.766 50 0 HKAARN Fc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000036056438 569084498 /nfs/dbraw/zinc/08/44/98/569084498.db2.gz RBXLXPAHENRLEG-PDJLYPKISA-N 0 0 400.472 6.766 50 0 HKAARN CC(C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)n1 ZINC000036063866 569085613 /nfs/dbraw/zinc/08/56/13/569085613.db2.gz WOXGCOAQUQNTOA-KRWDZBQOSA-N 0 0 411.933 5.230 50 0 HKAARN CC(C)NC(=O)c1coc(CN(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)n1 ZINC000036063867 569085584 /nfs/dbraw/zinc/08/55/84/569085584.db2.gz WOXGCOAQUQNTOA-QGZVFWFLSA-N 0 0 411.933 5.230 50 0 HKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063922 569085554 /nfs/dbraw/zinc/08/55/54/569085554.db2.gz LWBHRFZDGPLEOV-IBGZPJMESA-N 0 0 423.532 5.099 50 0 HKAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)cc1 ZINC000036063923 569085588 /nfs/dbraw/zinc/08/55/88/569085588.db2.gz LWBHRFZDGPLEOV-LJQANCHMSA-N 0 0 423.532 5.099 50 0 HKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072282 569086457 /nfs/dbraw/zinc/08/64/57/569086457.db2.gz CORFAQKPMZFVIR-QGZVFWFLSA-N 0 0 411.933 5.059 50 0 HKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072283 569086494 /nfs/dbraw/zinc/08/64/94/569086494.db2.gz CORFAQKPMZFVIR-KRWDZBQOSA-N 0 0 411.933 5.059 50 0 HKAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036072373 569086439 /nfs/dbraw/zinc/08/64/39/569086439.db2.gz STBMNOSHXOGIIA-UHFFFAOYSA-N 0 0 423.532 5.278 50 0 HKAARN CC(C)c1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)Cc2ccc(F)cc2)cc1 ZINC000036072379 569086459 /nfs/dbraw/zinc/08/64/59/569086459.db2.gz WWPVKFOUXZIOKB-UHFFFAOYSA-N 0 0 421.516 5.032 50 0 HKAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036072391 569086448 /nfs/dbraw/zinc/08/64/48/569086448.db2.gz WGTNMWMMROWQOV-UHFFFAOYSA-N 0 0 423.532 5.231 50 0 HKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C)cc2C)n1 ZINC000036072528 569086747 /nfs/dbraw/zinc/08/67/47/569086747.db2.gz VZMHUQKHVOTADT-LJQANCHMSA-N 0 0 423.532 5.161 50 0 HKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C)cc2C)n1 ZINC000036072529 569086764 /nfs/dbraw/zinc/08/67/64/569086764.db2.gz VZMHUQKHVOTADT-IBGZPJMESA-N 0 0 423.532 5.161 50 0 HKAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)Cc2ccccc2)cc1 ZINC000036073086 569086365 /nfs/dbraw/zinc/08/63/65/569086365.db2.gz GQJZFGNSGGYUKC-UHFFFAOYSA-N 0 0 417.553 5.067 50 0 HKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073412 569086327 /nfs/dbraw/zinc/08/63/27/569086327.db2.gz RIRAYUZIKVHFDB-NRFANRHFSA-N 0 0 419.569 5.441 50 0 HKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)c1 ZINC000036073413 569086310 /nfs/dbraw/zinc/08/63/10/569086310.db2.gz RIRAYUZIKVHFDB-OAQYLSRUSA-N 0 0 419.569 5.441 50 0 HKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073430 569086354 /nfs/dbraw/zinc/08/63/54/569086354.db2.gz GJEKVDOIINPEID-NRFANRHFSA-N 0 0 417.553 5.291 50 0 HKAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073431 569086293 /nfs/dbraw/zinc/08/62/93/569086293.db2.gz GJEKVDOIINPEID-OAQYLSRUSA-N 0 0 417.553 5.291 50 0 HKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2cccc(F)c2)[C@@H](C)c2ccccc2)n1 ZINC000036073496 569086450 /nfs/dbraw/zinc/08/64/50/569086450.db2.gz SUNRMOFHKQORCY-MSOLQXFVSA-N 0 0 409.505 5.105 50 0 HKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2cccc(F)c2)[C@@H](C)c2ccccc2)n1 ZINC000036073497 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/nfs/dbraw/zinc/09/30/73/569093073.db2.gz BKTKLFRBDMTCGU-LJQANCHMSA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1C ZINC000036106484 569093061 /nfs/dbraw/zinc/09/30/61/569093061.db2.gz BKTKLFRBDMTCGU-IBGZPJMESA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106486 569093108 /nfs/dbraw/zinc/09/31/08/569093108.db2.gz GEXAWHWZCNUAHJ-GOSISDBHSA-N 0 0 424.566 5.480 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106488 569093104 /nfs/dbraw/zinc/09/31/04/569093104.db2.gz GEXAWHWZCNUAHJ-SFHVURJKSA-N 0 0 424.566 5.480 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036106494 569093092 /nfs/dbraw/zinc/09/30/92/569093092.db2.gz WVROLWYQIYCCFJ-LJQANCHMSA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036106496 569093057 /nfs/dbraw/zinc/09/30/57/569093057.db2.gz WVROLWYQIYCCFJ-IBGZPJMESA-N 0 0 408.567 5.780 50 0 HKAARN Cc1cccc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)cs2)c1 ZINC000036106519 569093176 /nfs/dbraw/zinc/09/31/76/569093176.db2.gz GJVLNSRJMIIFJB-UHFFFAOYSA-N 0 0 412.942 5.489 50 0 HKAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036106544 569093193 /nfs/dbraw/zinc/09/31/93/569093193.db2.gz UECLVPJARGQVIA-UHFFFAOYSA-N 0 0 424.566 5.018 50 0 HKAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1C ZINC000036106557 569093148 /nfs/dbraw/zinc/09/31/48/569093148.db2.gz CRHXNQBQWYROQJ-UHFFFAOYSA-N 0 0 424.566 5.018 50 0 HKAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036106563 569093180 /nfs/dbraw/zinc/09/31/80/569093180.db2.gz XUDQPNDPBNLODZ-UHFFFAOYSA-N 0 0 424.566 5.018 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106572 569093213 /nfs/dbraw/zinc/09/32/13/569093213.db2.gz WFEUOESDJZRNLN-UHFFFAOYSA-N 0 0 410.539 5.092 50 0 HKAARN CC(C)CN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccs1 ZINC000036106643 558797776 /nfs/dbraw/zinc/79/77/76/558797776.db2.gz KAUZCHORUYUBGW-UHFFFAOYSA-N 0 0 420.987 5.735 50 0 HKAARN CC(C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccs1 ZINC000036106664 569093214 /nfs/dbraw/zinc/09/32/14/569093214.db2.gz KSJQVFHXBQBINH-UHFFFAOYSA-N 0 0 406.960 5.488 50 0 HKAARN CC(C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1 ZINC000036106672 569093203 /nfs/dbraw/zinc/09/32/03/569093203.db2.gz YSDOMGKOIAGABP-UHFFFAOYSA-N 0 0 400.931 5.426 50 0 HKAARN CC(C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1F ZINC000036106676 569093187 /nfs/dbraw/zinc/09/31/87/569093187.db2.gz OPOSNVYBDZQDEL-UHFFFAOYSA-N 0 0 418.921 5.565 50 0 HKAARN Cc1ccccc1C(=O)N(Cc1csc(COc2cccc(Cl)c2)n1)C(C)C ZINC000036106684 569093205 /nfs/dbraw/zinc/09/32/05/569093205.db2.gz IFEIZHJOCWJWNO-UHFFFAOYSA-N 0 0 414.958 5.735 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cccc(Cl)c3)n2)C(C)C)c1 ZINC000036106688 569093185 /nfs/dbraw/zinc/09/31/85/569093185.db2.gz YZMDDESZNOVMSG-UHFFFAOYSA-N 0 0 414.958 5.735 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1 ZINC000036106716 569093186 /nfs/dbraw/zinc/09/31/86/569093186.db2.gz IMVOYDBRUYGATM-MRXNPFEDSA-N 0 0 414.958 5.816 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1 ZINC000036106718 569093198 /nfs/dbraw/zinc/09/31/98/569093198.db2.gz IMVOYDBRUYGATM-INIZCTEOSA-N 0 0 414.958 5.816 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)C1CCCC1 ZINC000036106732 569093152 /nfs/dbraw/zinc/09/31/52/569093152.db2.gz MPMQQPIORRDHHN-OAHLLOKOSA-N 0 0 406.979 5.693 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)C1CCCC1 ZINC000036106734 569093146 /nfs/dbraw/zinc/09/31/46/569093146.db2.gz MPMQQPIORRDHHN-HNNXBMFYSA-N 0 0 406.979 5.693 50 0 HKAARN O=C(c1ccc(F)cc1)N(Cc1csc(COc2cccc(Cl)c2)n1)C1CC1 ZINC000036106763 569093160 /nfs/dbraw/zinc/09/31/60/569093160.db2.gz QBYDWZYBAJVTOJ-UHFFFAOYSA-N 0 0 416.905 5.319 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cccc(Cl)c3)n2)C2CC2)cc1 ZINC000036106773 569093184 /nfs/dbraw/zinc/09/31/84/569093184.db2.gz NIRLCESAOJJZPY-UHFFFAOYSA-N 0 0 412.942 5.489 50 0 HKAARN O=C(c1ccccc1F)N(Cc1csc(COc2cccc(Cl)c2)n1)C1CC1 ZINC000036106777 569093210 /nfs/dbraw/zinc/09/32/10/569093210.db2.gz XNPBXLQADWXTRL-UHFFFAOYSA-N 0 0 416.905 5.319 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccs1 ZINC000036106787 569093216 /nfs/dbraw/zinc/09/32/16/569093216.db2.gz RYHLCDGGWPOPFA-UHFFFAOYSA-N 0 0 406.960 5.489 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1F ZINC000036106797 569093183 /nfs/dbraw/zinc/09/31/83/569093183.db2.gz XOIRGYFERSCYIY-UHFFFAOYSA-N 0 0 418.921 5.567 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)Cc1ccccc1 ZINC000036106800 569093215 /nfs/dbraw/zinc/09/32/15/569093215.db2.gz YSQAEBSGCJVSOS-UHFFFAOYSA-N 0 0 414.958 5.357 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1C ZINC000036106805 569093174 /nfs/dbraw/zinc/09/31/74/569093174.db2.gz FQAODPMQIPYGAT-UHFFFAOYSA-N 0 0 414.958 5.736 50 0 HKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1cccc(C)c1 ZINC000036106811 569093170 /nfs/dbraw/zinc/09/31/70/569093170.db2.gz PKSKAGHJDAOUOU-UHFFFAOYSA-N 0 0 414.958 5.736 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3cccs3)cs2)cc1C ZINC000036106862 569093164 /nfs/dbraw/zinc/09/31/64/569093164.db2.gz XIDSWXZCTCOCTD-UHFFFAOYSA-N 0 0 414.596 5.699 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3)cs2)cc1C ZINC000036106869 569093204 /nfs/dbraw/zinc/09/32/04/569093204.db2.gz JEBAJUSTTMCVBM-UHFFFAOYSA-N 0 0 408.567 5.637 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)CC(C)C)cc1 ZINC000036106871 569093158 /nfs/dbraw/zinc/09/31/58/569093158.db2.gz ZLAXBMZYMBMDTO-UHFFFAOYSA-N 0 0 422.594 5.946 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)C3CCCC3)cs2)cc1C ZINC000036106876 569093191 /nfs/dbraw/zinc/09/31/91/569093191.db2.gz FWDGPSFHDIFDIR-UHFFFAOYSA-N 0 0 400.588 5.514 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)CC(C)C)c1 ZINC000036106888 569093156 /nfs/dbraw/zinc/09/31/56/569093156.db2.gz OMHIHTJPVJPMKL-UHFFFAOYSA-N 0 0 422.594 5.946 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccccc3F)C(C)C)cs2)cc1C ZINC000036106923 569093238 /nfs/dbraw/zinc/09/32/38/569093238.db2.gz WNZIGKXUTJPPQP-UHFFFAOYSA-N 0 0 412.530 5.529 50 0 HKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)C(C)C)c1 ZINC000036106933 569093302 /nfs/dbraw/zinc/09/33/02/569093302.db2.gz HKVZMJKQCOIPJZ-UHFFFAOYSA-N 0 0 424.566 5.398 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)C(C)C)c1 ZINC000036106937 569093317 /nfs/dbraw/zinc/09/33/17/569093317.db2.gz UAQQWNHAOBQDRF-UHFFFAOYSA-N 0 0 408.567 5.698 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)C1CCCC1 ZINC000036106964 569093252 /nfs/dbraw/zinc/09/32/52/569093252.db2.gz GLRRDPARQDHYQC-GOSISDBHSA-N 0 0 400.588 5.656 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)C1CCCC1 ZINC000036106966 569093270 /nfs/dbraw/zinc/09/32/70/569093270.db2.gz GLRRDPARQDHYQC-SFHVURJKSA-N 0 0 400.588 5.656 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036106972 569093293 /nfs/dbraw/zinc/09/32/93/569093293.db2.gz BADPRGXUTNLOGC-HXUWFJFHSA-N 0 0 422.594 5.709 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036106974 569093323 /nfs/dbraw/zinc/09/33/23/569093323.db2.gz BADPRGXUTNLOGC-FQEVSTJZSA-N 0 0 422.594 5.709 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc(F)cc3)C3CC3)cs2)cc1C ZINC000036106987 569093281 /nfs/dbraw/zinc/09/32/81/569093281.db2.gz JQEFIYFAMNGAGG-UHFFFAOYSA-N 0 0 410.514 5.283 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccccc3F)C3CC3)cs2)cc1C ZINC000036107001 569093309 /nfs/dbraw/zinc/09/33/09/569093309.db2.gz NDIWHEPMGPSKIM-UHFFFAOYSA-N 0 0 410.514 5.283 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)Cc3ccccc3)C3CC3)cs2)cc1C ZINC000036107007 569093243 /nfs/dbraw/zinc/09/32/43/569093243.db2.gz OQYOGRQAHUBQBM-UHFFFAOYSA-N 0 0 406.551 5.073 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccccc3C)C3CC3)cs2)cc1C ZINC000036107011 569093248 /nfs/dbraw/zinc/09/32/48/569093248.db2.gz FWBUTHRMBYWAIB-UHFFFAOYSA-N 0 0 406.551 5.452 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccc(C)c(C)c3)n2)C2CC2)c1 ZINC000036107017 569093308 /nfs/dbraw/zinc/09/33/08/569093308.db2.gz NNOUBLNFXYFKGK-UHFFFAOYSA-N 0 0 406.551 5.452 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036107050 569093240 /nfs/dbraw/zinc/09/32/40/569093240.db2.gz UJIAABWPPDNODI-UHFFFAOYSA-N 0 0 412.530 5.530 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccs1 ZINC000036107057 569093241 /nfs/dbraw/zinc/09/32/41/569093241.db2.gz BMNSBIVMGPBYCQ-UHFFFAOYSA-N 0 0 400.569 5.453 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036107059 569093256 /nfs/dbraw/zinc/09/32/56/569093256.db2.gz MQYRBTCFQNUTAA-UHFFFAOYSA-N 0 0 424.566 5.400 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036107064 569093307 /nfs/dbraw/zinc/09/33/07/569093307.db2.gz VYWCCZSGOZPFMF-UHFFFAOYSA-N 0 0 408.567 5.700 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036107068 569093316 /nfs/dbraw/zinc/09/33/16/569093316.db2.gz QUDYSOZFFHQKIF-UHFFFAOYSA-N 0 0 412.530 5.530 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1C ZINC000036107076 569093250 /nfs/dbraw/zinc/09/32/50/569093250.db2.gz WQEOHMBMUIUXKK-UHFFFAOYSA-N 0 0 408.567 5.700 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036107078 569093272 /nfs/dbraw/zinc/09/32/72/569093272.db2.gz BAUFLBOXXQQGHR-UHFFFAOYSA-N 0 0 424.566 5.400 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3cccs3)cs2)c1C ZINC000036107161 569093313 /nfs/dbraw/zinc/09/33/13/569093313.db2.gz KYLRZAURLUJTEL-UHFFFAOYSA-N 0 0 414.596 5.699 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3)cs2)c1C ZINC000036107168 569093291 /nfs/dbraw/zinc/09/32/91/569093291.db2.gz SOHFJOXXPZCCGK-UHFFFAOYSA-N 0 0 408.567 5.637 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)CC(C)C)cc1 ZINC000036107169 569093314 /nfs/dbraw/zinc/09/33/14/569093314.db2.gz LSERUNBNZSWUGW-UHFFFAOYSA-N 0 0 422.594 5.946 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)C3CCCC3)cs2)c1C ZINC000036107174 569093279 /nfs/dbraw/zinc/09/32/79/569093279.db2.gz YFVGHQHKBLCFRE-UHFFFAOYSA-N 0 0 400.588 5.514 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)Cc3ccccc3)cs2)c1C ZINC000036107178 569093266 /nfs/dbraw/zinc/09/32/66/569093266.db2.gz HUAAEBMKRPMOOX-UHFFFAOYSA-N 0 0 422.594 5.566 50 0 HKAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)c1C ZINC000036107184 569093300 /nfs/dbraw/zinc/09/33/00/569093300.db2.gz RKMJKDSERLWJTA-UHFFFAOYSA-N 0 0 422.594 5.946 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)CC(C)C)c1 ZINC000036107187 569093232 /nfs/dbraw/zinc/09/32/32/569093232.db2.gz VIHAELBOQJJDDB-UHFFFAOYSA-N 0 0 422.594 5.946 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000036107969 569093283 /nfs/dbraw/zinc/09/32/83/569093283.db2.gz YIZGYGXSKSQDBS-UHFFFAOYSA-N 0 0 406.429 5.610 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1cccc(Br)c1 ZINC000036107970 569093320 /nfs/dbraw/zinc/09/33/20/569093320.db2.gz RSBBFKNUEOYHOC-UHFFFAOYSA-N 0 0 417.328 5.354 50 0 HKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000036107978 569093295 /nfs/dbraw/zinc/09/32/95/569093295.db2.gz UIBZVKCARUVPAY-UHFFFAOYSA-N 0 0 420.578 5.434 50 0 HKAARN Cc1cccc(OCc2nc(CN(C(=O)c3ccc(F)cc3)C(C)C)cs2)c1C ZINC000036114121 569093782 /nfs/dbraw/zinc/09/37/82/569093782.db2.gz MSCSZWRYTJDWOG-UHFFFAOYSA-N 0 0 412.530 5.529 50 0 HKAARN Cc1cccc(OCc2nc(CN(C(=O)c3cccs3)C(C)C)cs2)c1C ZINC000036114127 569093806 /nfs/dbraw/zinc/09/38/06/569093806.db2.gz WQARICNHWNWEON-UHFFFAOYSA-N 0 0 400.569 5.451 50 0 HKAARN COc1ccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)C(C)C)cc1 ZINC000036114129 569093787 /nfs/dbraw/zinc/09/37/87/569093787.db2.gz JJPIIQRZEPCTPP-UHFFFAOYSA-N 0 0 424.566 5.398 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)C(C)C)cc1 ZINC000036114138 569093843 /nfs/dbraw/zinc/09/38/43/569093843.db2.gz QNZYKZKBMMSJKA-UHFFFAOYSA-N 0 0 408.567 5.698 50 0 HKAARN Cc1cccc(OCc2nc(CN(C(=O)Cc3ccccc3)C(C)C)cs2)c1C ZINC000036114144 569093834 /nfs/dbraw/zinc/09/38/34/569093834.db2.gz QHAAVGDEDBNLJJ-UHFFFAOYSA-N 0 0 408.567 5.319 50 0 HKAARN Cc1cccc(OCc2nc(CN(C(=O)c3ccccc3C)C(C)C)cs2)c1C ZINC000036114151 569093804 /nfs/dbraw/zinc/09/38/04/569093804.db2.gz JJAKPASCTNNUDL-UHFFFAOYSA-N 0 0 408.567 5.698 50 0 HKAARN COc1cccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)C(C)C)c1 ZINC000036114153 569093823 /nfs/dbraw/zinc/09/38/23/569093823.db2.gz ZSWQSBTWIJNPNK-UHFFFAOYSA-N 0 0 424.566 5.398 50 0 HKAARN Cc1cccc(C(=O)N(Cc2csc(COc3cccc(C)c3C)n2)C(C)C)c1 ZINC000036114155 569093832 /nfs/dbraw/zinc/09/38/32/569093832.db2.gz FJEPDDXZQVIHFH-UHFFFAOYSA-N 0 0 408.567 5.698 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036114168 569093872 /nfs/dbraw/zinc/09/38/72/569093872.db2.gz ZCSPHEQRXNROPU-MRXNPFEDSA-N 0 0 414.596 5.841 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036114170 569093780 /nfs/dbraw/zinc/09/37/80/569093780.db2.gz ZCSPHEQRXNROPU-INIZCTEOSA-N 0 0 414.596 5.841 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(C)cc1 ZINC000036114186 569093798 /nfs/dbraw/zinc/09/37/98/569093798.db2.gz JXZKRXFBIVCTFI-LJQANCHMSA-N 0 0 422.594 6.088 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(C)cc1 ZINC000036114188 569093841 /nfs/dbraw/zinc/09/38/41/569093841.db2.gz JXZKRXFBIVCTFI-IBGZPJMESA-N 0 0 422.594 6.088 50 0 HKAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114199 569093777 /nfs/dbraw/zinc/09/37/77/569093777.db2.gz ZVMXSZSOLIJDPV-UHFFFAOYSA-N 0 0 410.539 5.010 50 0 HKAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036114223 569093857 /nfs/dbraw/zinc/09/38/57/569093857.db2.gz DKXDHIMPJGWYHK-UHFFFAOYSA-N 0 0 410.539 5.010 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036114257 569093802 /nfs/dbraw/zinc/09/38/02/569093802.db2.gz ULKSBJUFMUCTQS-UHFFFAOYSA-N 0 0 412.530 5.530 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036114266 569093821 /nfs/dbraw/zinc/09/38/21/569093821.db2.gz UVUKBQFWHNNFQV-UHFFFAOYSA-N 0 0 400.569 5.453 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114268 559218062 /nfs/dbraw/zinc/21/80/62/559218062.db2.gz OCLKKXLFNMBKRE-UHFFFAOYSA-N 0 0 424.566 5.400 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(C)cc1 ZINC000036114275 569093779 /nfs/dbraw/zinc/09/37/79/569093779.db2.gz OUWVIXSGXBJABQ-UHFFFAOYSA-N 0 0 408.567 5.700 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036114280 569093958 /nfs/dbraw/zinc/09/39/58/569093958.db2.gz BIZGNJAOODEMOW-UHFFFAOYSA-N 0 0 412.530 5.530 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036114287 569093974 /nfs/dbraw/zinc/09/39/74/569093974.db2.gz SIQUWEYBZAQACH-UHFFFAOYSA-N 0 0 408.567 5.320 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036114291 569093881 /nfs/dbraw/zinc/09/38/81/569093881.db2.gz MCVCHJZGKOJDJR-UHFFFAOYSA-N 0 0 424.566 5.400 50 0 HKAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(C)c1 ZINC000036114293 569093898 /nfs/dbraw/zinc/09/38/98/569093898.db2.gz 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ZINC000036114545 569093891 /nfs/dbraw/zinc/09/38/91/569093891.db2.gz FOWSIXQBBUKBRJ-MRXNPFEDSA-N 0 0 414.958 5.816 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114547 569093946 /nfs/dbraw/zinc/09/39/46/569093946.db2.gz FOWSIXQBBUKBRJ-INIZCTEOSA-N 0 0 414.958 5.816 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114562 569093921 /nfs/dbraw/zinc/09/39/21/569093921.db2.gz LXMSNPKZWOYBJT-QGZVFWFLSA-N 0 0 410.539 5.172 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114564 569093879 /nfs/dbraw/zinc/09/38/79/569093879.db2.gz LXMSNPKZWOYBJT-KRWDZBQOSA-N 0 0 410.539 5.172 50 0 HKAARN CCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114613 569093893 /nfs/dbraw/zinc/09/38/93/569093893.db2.gz LQFGSQLMCJSWBR-UHFFFAOYSA-N 0 0 400.931 5.428 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1 ZINC000036114634 569093935 /nfs/dbraw/zinc/09/39/35/569093935.db2.gz QJFYGYPBECTLQO-UHFFFAOYSA-N 0 0 412.530 5.468 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)Cc3ccccc3)cs2)cc1 ZINC000036114637 569093910 /nfs/dbraw/zinc/09/39/10/569093910.db2.gz QGXGVVMDQUMOJY-UHFFFAOYSA-N 0 0 408.567 5.258 50 0 HKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)cc1 ZINC000036114640 569093880 /nfs/dbraw/zinc/09/38/80/569093880.db2.gz VCAMFFPZVDHSGD-UHFFFAOYSA-N 0 0 408.567 5.637 50 0 HKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)CC(C)C)c1 ZINC000036114641 569093920 /nfs/dbraw/zinc/09/39/20/569093920.db2.gz IESMKCWECFHKKA-UHFFFAOYSA-N 0 0 424.566 5.338 50 0 HKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C(C)C)cc1 ZINC000036114664 569093906 /nfs/dbraw/zinc/09/39/06/569093906.db2.gz VGIBAEHIENQJEG-UHFFFAOYSA-N 0 0 410.539 5.090 50 0 HKAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C(C)C)c1 ZINC000036114676 569093954 /nfs/dbraw/zinc/09/39/54/569093954.db2.gz GUIHSUBCZSGREZ-UHFFFAOYSA-N 0 0 410.539 5.090 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114684 569094057 /nfs/dbraw/zinc/09/40/57/569094057.db2.gz QPGIJEUOPBMQMK-GOSISDBHSA-N 0 0 424.566 5.480 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114685 569094001 /nfs/dbraw/zinc/09/40/01/569094001.db2.gz QPGIJEUOPBMQMK-SFHVURJKSA-N 0 0 424.566 5.480 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036114690 569093990 /nfs/dbraw/zinc/09/39/90/569093990.db2.gz MOTSDOBIOVJEBF-LJQANCHMSA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036114691 569094010 /nfs/dbraw/zinc/09/40/10/569094010.db2.gz MOTSDOBIOVJEBF-IBGZPJMESA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1F ZINC000036114694 569094061 /nfs/dbraw/zinc/09/40/61/569094061.db2.gz RCMLOVUJYAHUJS-QGZVFWFLSA-N 0 0 412.530 5.611 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1F ZINC000036114695 569094033 /nfs/dbraw/zinc/09/40/33/569094033.db2.gz RCMLOVUJYAHUJS-KRWDZBQOSA-N 0 0 412.530 5.611 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)Cc1ccccc1 ZINC000036114698 569094031 /nfs/dbraw/zinc/09/40/31/569094031.db2.gz ATKIOXXXUKZNEF-LJQANCHMSA-N 0 0 408.567 5.400 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)Cc1ccccc1 ZINC000036114699 569093988 /nfs/dbraw/zinc/09/39/88/569093988.db2.gz ATKIOXXXUKZNEF-IBGZPJMESA-N 0 0 408.567 5.400 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1C ZINC000036114704 569094047 /nfs/dbraw/zinc/09/40/47/569094047.db2.gz PVAAYVFTCSWETD-LJQANCHMSA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1C ZINC000036114705 569094006 /nfs/dbraw/zinc/09/40/06/569094006.db2.gz PVAAYVFTCSWETD-IBGZPJMESA-N 0 0 408.567 5.780 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114706 569094043 /nfs/dbraw/zinc/09/40/43/569094043.db2.gz ZQIVAJOCPGPROY-GOSISDBHSA-N 0 0 424.566 5.480 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114707 569094024 /nfs/dbraw/zinc/09/40/24/569094024.db2.gz ZQIVAJOCPGPROY-SFHVURJKSA-N 0 0 424.566 5.480 50 0 HKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)cs2)cc1 ZINC000036114720 569093994 /nfs/dbraw/zinc/09/39/94/569093994.db2.gz QOPARCJUJBPVDP-UHFFFAOYSA-N 0 0 412.942 5.489 50 0 HKAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036114741 569094004 /nfs/dbraw/zinc/09/40/04/569094004.db2.gz XXXISRSPKNJFRB-UHFFFAOYSA-N 0 0 424.566 5.018 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114746 569093995 /nfs/dbraw/zinc/09/39/95/569093995.db2.gz OKDGJWOHBFFWMP-UHFFFAOYSA-N 0 0 410.539 5.092 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114750 569094016 /nfs/dbraw/zinc/09/40/16/569094016.db2.gz BOFSOXAVNVCVGR-UHFFFAOYSA-N 0 0 414.958 5.736 50 0 HKAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036114755 569093986 /nfs/dbraw/zinc/09/39/86/569093986.db2.gz URENMDBEWWHHJT-UHFFFAOYSA-N 0 0 410.539 5.092 50 0 HKAARN Cc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2ccc(F)cc2)cs1 ZINC000036114785 569093996 /nfs/dbraw/zinc/09/39/96/569093996.db2.gz HAKVZUPALIRMNI-UHFFFAOYSA-N 0 0 412.530 5.468 50 0 HKAARN Cc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2cccs2)cs1 ZINC000036114789 569094054 /nfs/dbraw/zinc/09/40/54/569094054.db2.gz CJQIZDFHPGJQJY-UHFFFAOYSA-N 0 0 400.569 5.390 50 0 HKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3C)n2)CC(C)C)cc1 ZINC000036114790 569094008 /nfs/dbraw/zinc/09/40/08/569094008.db2.gz JBFUJBNQQAOYBR-UHFFFAOYSA-N 0 0 424.566 5.338 50 0 HKAARN Cc1ccc(C(=O)N(Cc2csc(COc3ccccc3C)n2)CC(C)C)cc1 ZINC000036114794 569094052 /nfs/dbraw/zinc/09/40/52/569094052.db2.gz OGUSYKQJHMZWFR-UHFFFAOYSA-N 0 0 408.567 5.637 50 0 HKAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3C)n2)C(C)C)cc1 ZINC000036114806 569093991 /nfs/dbraw/zinc/09/39/91/569093991.db2.gz ZZMLKEZTVAUVGA-UHFFFAOYSA-N 0 0 410.539 5.090 50 0 HKAARN Cc1ccccc1OCc1nc(CN(C(=O)c2ccc(Cl)cc2)C(C)C)cs1 ZINC000036114814 569094012 /nfs/dbraw/zinc/09/40/12/569094012.db2.gz 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50 0 HKAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115203 569093926 /nfs/dbraw/zinc/09/39/26/569093926.db2.gz GVBHTZOMPGCAGB-UHFFFAOYSA-N 0 0 409.555 5.701 50 0 HKAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115228 569093982 /nfs/dbraw/zinc/09/39/82/569093982.db2.gz ZZEVRHBOKXMHIX-LJQANCHMSA-N 0 0 423.582 6.172 50 0 HKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115229 569093887 /nfs/dbraw/zinc/09/38/87/569093887.db2.gz ZZEVRHBOKXMHIX-IBGZPJMESA-N 0 0 423.582 6.172 50 0 HKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)NC(C)C ZINC000036115258 569093980 /nfs/dbraw/zinc/09/39/80/569093980.db2.gz JMBMQNFUHGZRBF-UHFFFAOYSA-N 0 0 411.571 5.451 50 0 HKAARN CCNC(=S)N(Cc1csc(COc2ccccc2C(C)C)n1)[C@H](C)CC ZINC000036115265 569093918 /nfs/dbraw/zinc/09/39/18/569093918.db2.gz DWDYWAQZYLAVOW-MRXNPFEDSA-N 0 0 405.633 5.340 50 0 HKAARN CCNC(=S)N(Cc1csc(COc2ccccc2C(C)C)n1)[C@@H](C)CC ZINC000036115266 569093964 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CC(C)NC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(C)C ZINC000036124551 569095530 /nfs/dbraw/zinc/09/55/30/569095530.db2.gz UFXQVEDBVIRYSW-UHFFFAOYSA-N 0 0 416.374 5.357 50 0 HKAARN CCCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)C2CC2)cc1 ZINC000036124602 569095552 /nfs/dbraw/zinc/09/55/52/569095552.db2.gz MYHFKPZSSOHWPP-UHFFFAOYSA-N 0 0 417.509 5.074 50 0 HKAARN CCCc1nn(-c2ccccc2C)c(OC(C)=O)c1-c1ccc(NC(=O)CC)cc1 ZINC000036124641 569095548 /nfs/dbraw/zinc/09/55/48/569095548.db2.gz VKNZBAMOWIGGGM-UHFFFAOYSA-N 0 0 405.498 5.074 50 0 HKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C(C)C)cc2)c(C2CC2)nn1-c1ccc(C)cc1 ZINC000036124684 569095591 /nfs/dbraw/zinc/09/55/91/569095591.db2.gz OEUHBWZRTYBQOV-UHFFFAOYSA-N 0 0 417.509 5.245 50 0 HKAARN CC(=O)Oc1c(-c2ccc(NC(=O)C(C)C)cc2)c(C2CC2)nn1-c1ccccc1C ZINC000036124776 569095569 /nfs/dbraw/zinc/09/55/69/569095569.db2.gz YAVBAUNTZGZBNX-UHFFFAOYSA-N 0 0 417.509 5.245 50 0 HKAARN CCC(=O)Nc1ccc(-c2c(CC(C)C)nn(-c3cccc(C)c3)c2OC(C)=O)cc1 ZINC000036124951 569095560 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5.245 50 0 HKAARN CCc1nn(-c2ccc(C)cc2)c(OC(C)=O)c1-c1ccc(NC(=O)CC(C)C)cc1 ZINC000036145403 569097806 /nfs/dbraw/zinc/09/78/06/569097806.db2.gz NNBNHDHVCNZHDN-UHFFFAOYSA-N 0 0 419.525 5.320 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036148902 569098810 /nfs/dbraw/zinc/09/88/10/569098810.db2.gz IXIVPIJVGUGVAR-SFHVURJKSA-N 0 0 413.514 5.408 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036148905 569098776 /nfs/dbraw/zinc/09/87/76/569098776.db2.gz IXIVPIJVGUGVAR-GOSISDBHSA-N 0 0 413.514 5.408 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036148908 569098837 /nfs/dbraw/zinc/09/88/37/569098837.db2.gz YVZXZPIFHAOSAB-INIZCTEOSA-N 0 0 417.477 5.238 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036148911 569098847 /nfs/dbraw/zinc/09/88/47/569098847.db2.gz YVZXZPIFHAOSAB-MRXNPFEDSA-N 0 0 417.477 5.238 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(F)cc1 ZINC000036149243 569098804 /nfs/dbraw/zinc/09/88/04/569098804.db2.gz WJGCTEJNOSCQIE-UHFFFAOYSA-N 0 0 421.516 5.379 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccs1 ZINC000036149255 569098748 /nfs/dbraw/zinc/09/87/48/569098748.db2.gz OFNVADKQAOPXQQ-UHFFFAOYSA-N 0 0 409.555 5.302 50 0 HKAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)CC(C)C)cc1 ZINC000036149265 569098784 /nfs/dbraw/zinc/09/87/84/569098784.db2.gz HUHOGQLQCAQJNT-UHFFFAOYSA-N 0 0 417.553 5.549 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F ZINC000036149273 569098763 /nfs/dbraw/zinc/09/87/63/569098763.db2.gz BEDILXOMBLWUFN-UHFFFAOYSA-N 0 0 421.516 5.379 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1 ZINC000036149276 569098775 /nfs/dbraw/zinc/09/87/75/569098775.db2.gz ZQKSWXDHAVHHEL-UHFFFAOYSA-N 0 0 421.516 5.379 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)Cc1ccccc1 ZINC000036149286 569098751 /nfs/dbraw/zinc/09/87/51/569098751.db2.gz GFADPZDAQRXLGN-UHFFFAOYSA-N 0 0 417.553 5.169 50 0 HKAARN COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)cc1 ZINC000036149308 569098812 /nfs/dbraw/zinc/09/88/12/569098812.db2.gz CQPDHBYBXFRKOC-UHFFFAOYSA-N 0 0 419.525 5.001 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F ZINC000036149322 569098802 /nfs/dbraw/zinc/09/88/02/569098802.db2.gz RBMCSHWCKLGTBA-UHFFFAOYSA-N 0 0 407.489 5.132 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1 ZINC000036149325 569098762 /nfs/dbraw/zinc/09/87/62/569098762.db2.gz CKXQCMMZDZXYBT-UHFFFAOYSA-N 0 0 407.489 5.132 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000036149331 569098778 /nfs/dbraw/zinc/09/87/78/569098778.db2.gz FELQIJGEQZHCMZ-UHFFFAOYSA-N 0 0 423.944 5.646 50 0 HKAARN COc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)c1 ZINC000036149337 569098808 /nfs/dbraw/zinc/09/88/08/569098808.db2.gz UBTIZPXLYUYWJY-UHFFFAOYSA-N 0 0 419.525 5.001 50 0 HKAARN Cc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)c1 ZINC000036149343 569098780 /nfs/dbraw/zinc/09/87/80/569098780.db2.gz PDBQARVYALYHOD-UHFFFAOYSA-N 0 0 403.526 5.301 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)CC(C)(C)C ZINC000036150844 569100492 /nfs/dbraw/zinc/10/04/92/569100492.db2.gz DXMCQMUUTKSKDT-UHFFFAOYSA-N 0 0 411.590 5.753 50 0 HKAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)C1CCCC1 ZINC000036150847 569100585 /nfs/dbraw/zinc/10/05/85/569100585.db2.gz XWUMNCXHZXVJBA-UHFFFAOYSA-N 0 0 409.574 5.507 50 0 HKAARN Cc1ccc(NC(=O)N2CC(C)(C)S[C@]23C(=O)Nc2ccc(Cl)cc23)cc1C ZINC000036153555 569100517 /nfs/dbraw/zinc/10/05/17/569100517.db2.gz WUUAOVFDSKAZAD-OAQYLSRUSA-N 0 0 415.946 5.121 50 0 HKAARN Cc1ccc(NC(=O)N2CC(C)(C)S[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1C ZINC000036153559 569100657 /nfs/dbraw/zinc/10/06/57/569100657.db2.gz WUUAOVFDSKAZAD-NRFANRHFSA-N 0 0 415.946 5.121 50 0 HKAARN CC1(C)CN(C(=O)Nc2ccc(Cl)cc2)[C@]2(S1)C(=O)Nc1ccc(Cl)cc12 ZINC000036153570 569100684 /nfs/dbraw/zinc/10/06/84/569100684.db2.gz YYPVGGCUABDMRS-LJQANCHMSA-N 0 0 422.337 5.158 50 0 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O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1 ZINC000036156443 569101457 /nfs/dbraw/zinc/10/14/57/569101457.db2.gz XFYORWBMFIQISD-UHFFFAOYSA-N 0 0 419.500 5.133 50 0 HKAARN Cc1cccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)CC2CC2)c1 ZINC000036156460 569101519 /nfs/dbraw/zinc/10/15/19/569101519.db2.gz HHJDIYPDIMVCLW-UHFFFAOYSA-N 0 0 415.537 5.303 50 0 HKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)CC(C)C ZINC000036156475 569101444 /nfs/dbraw/zinc/10/14/44/569101444.db2.gz PSNVPDAECNNNSK-UHFFFAOYSA-N 0 0 411.590 5.753 50 0 HKAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)C1CCCC1 ZINC000036156487 569101417 /nfs/dbraw/zinc/10/14/17/569101417.db2.gz BTEKTSNRNXYLMN-UHFFFAOYSA-N 0 0 423.601 5.897 50 0 HKAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C2CC2)cc1 ZINC000036161033 569102784 /nfs/dbraw/zinc/10/27/84/569102784.db2.gz LFABHSLTCVKJKW-UHFFFAOYSA-N 0 0 401.510 5.055 50 0 HKAARN O=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C1CC1 ZINC000036161048 569102773 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ZINC000036246371 569116624 /nfs/dbraw/zinc/11/66/24/569116624.db2.gz OZKOVLJNWMXNHP-UHFFFAOYSA-N 0 0 410.297 5.528 50 0 HKAARN COc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246373 569116641 /nfs/dbraw/zinc/11/66/41/569116641.db2.gz NRJGJWIIDGNXHM-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246380 569116672 /nfs/dbraw/zinc/11/66/72/569116672.db2.gz FQSKNNVEAYCIHK-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246399 569116677 /nfs/dbraw/zinc/11/66/77/569116677.db2.gz BPNZGTPUYULBHI-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246405 569116606 /nfs/dbraw/zinc/11/66/06/569116606.db2.gz YMRTXHAVHHWEQF-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246409 569116602 /nfs/dbraw/zinc/11/66/02/569116602.db2.gz ZNFHHHJHFCGBMI-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246414 558798495 /nfs/dbraw/zinc/79/84/95/558798495.db2.gz DDNANVKYOLDGCX-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccccc1CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246508 569116611 /nfs/dbraw/zinc/11/66/11/569116611.db2.gz HKMRKHGPJLNCJH-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccccc1CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036246520 569116658 /nfs/dbraw/zinc/11/66/58/569116658.db2.gz DKTRBLYQFWXEEW-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246530 569116723 /nfs/dbraw/zinc/11/67/23/569116723.db2.gz QAIZMKANWAJPAP-UHFFFAOYSA-N 0 0 422.333 5.398 50 0 HKAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036246534 558798468 /nfs/dbraw/zinc/79/84/68/558798468.db2.gz IUOBAOORZSHRDJ-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246582 569116769 /nfs/dbraw/zinc/11/67/69/569116769.db2.gz SYZMAJAXYUMLKC-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246584 569116716 /nfs/dbraw/zinc/11/67/16/569116716.db2.gz SYZMAJAXYUMLKC-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000036246666 569116740 /nfs/dbraw/zinc/11/67/40/569116740.db2.gz BCPKUBGQCPXBCF-INIZCTEOSA-N 0 0 403.906 5.744 50 0 HKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000036246669 569116713 /nfs/dbraw/zinc/11/67/13/569116713.db2.gz BCPKUBGQCPXBCF-MRXNPFEDSA-N 0 0 403.906 5.744 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246674 569116721 /nfs/dbraw/zinc/11/67/21/569116721.db2.gz MFCAWYLOXNYAOE-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246677 569116717 /nfs/dbraw/zinc/11/67/17/569116717.db2.gz MFCAWYLOXNYAOE-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc(N([C@H](C)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246728 569116767 /nfs/dbraw/zinc/11/67/67/569116767.db2.gz XXEDPYSMOMMTSG-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc(N([C@@H](C)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246730 569116711 /nfs/dbraw/zinc/11/67/11/569116711.db2.gz XXEDPYSMOMMTSG-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc(N([C@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246782 569116744 /nfs/dbraw/zinc/11/67/44/569116744.db2.gz JDPKNZAVSAZFAV-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246783 569116702 /nfs/dbraw/zinc/11/67/02/569116702.db2.gz JDPKNZAVSAZFAV-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246862 558798397 /nfs/dbraw/zinc/79/83/97/558798397.db2.gz VJWOLDWORNGNFG-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246863 558798481 /nfs/dbraw/zinc/79/84/81/558798481.db2.gz VJWOLDWORNGNFG-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN C[C@@H](c1ccccc1F)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246872 569116825 /nfs/dbraw/zinc/11/68/25/569116825.db2.gz BXGZVNNGSHHVBP-AWEZNQCLSA-N 0 0 407.869 5.575 50 0 HKAARN C[C@H](c1ccccc1F)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246873 569116855 /nfs/dbraw/zinc/11/68/55/569116855.db2.gz BXGZVNNGSHHVBP-CQSZACIVSA-N 0 0 407.869 5.575 50 0 HKAARN COc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246886 569116863 /nfs/dbraw/zinc/11/68/63/569116863.db2.gz SMMNFNCIKCIXDV-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246887 569116830 /nfs/dbraw/zinc/11/68/30/569116830.db2.gz SMMNFNCIKCIXDV-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246922 569116810 /nfs/dbraw/zinc/11/68/10/569116810.db2.gz TVVMLMUWKJMSHY-INIZCTEOSA-N 0 0 401.915 5.305 50 0 HKAARN COc1cccc([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246923 569116818 /nfs/dbraw/zinc/11/68/18/569116818.db2.gz TVVMLMUWKJMSHY-MRXNPFEDSA-N 0 0 401.915 5.305 50 0 HKAARN COc1cccc([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246924 569116820 /nfs/dbraw/zinc/11/68/20/569116820.db2.gz TXSVMFJECHKRAE-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246925 569116821 /nfs/dbraw/zinc/11/68/21/569116821.db2.gz TXSVMFJECHKRAE-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc([C@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246926 569116814 /nfs/dbraw/zinc/11/68/14/569116814.db2.gz NUXCYWDLBFVCPL-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc([C@@H](C)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246927 569116831 /nfs/dbraw/zinc/11/68/31/569116831.db2.gz NUXCYWDLBFVCPL-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246932 569116811 /nfs/dbraw/zinc/11/68/11/569116811.db2.gz OTYOUAPGVSQOTM-INIZCTEOSA-N 0 0 401.915 5.305 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246933 569116873 /nfs/dbraw/zinc/11/68/73/569116873.db2.gz OTYOUAPGVSQOTM-MRXNPFEDSA-N 0 0 401.915 5.305 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246934 569116819 /nfs/dbraw/zinc/11/68/19/569116819.db2.gz PYKRPGFTPSELGK-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246935 569116858 /nfs/dbraw/zinc/11/68/58/569116858.db2.gz PYKRPGFTPSELGK-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246936 569116829 /nfs/dbraw/zinc/11/68/29/569116829.db2.gz OZHJHMNGWSFDDH-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246937 569116815 /nfs/dbraw/zinc/11/68/15/569116815.db2.gz OZHJHMNGWSFDDH-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1cccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246964 569116847 /nfs/dbraw/zinc/11/68/47/569116847.db2.gz VIAZPKINFDVODT-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246978 569116846 /nfs/dbraw/zinc/11/68/46/569116846.db2.gz PNEBUHDOVHBUCS-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246984 569116840 /nfs/dbraw/zinc/11/68/40/569116840.db2.gz IMSGFYDKQXPNIM-UHFFFAOYSA-N 0 0 422.333 5.398 50 0 HKAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246986 569116826 /nfs/dbraw/zinc/11/68/26/569116826.db2.gz SKZBMQJSKSTRRZ-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN Cc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036247007 569116853 /nfs/dbraw/zinc/11/68/53/569116853.db2.gz XGGZPVQNENBXFM-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN COc1cccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036247010 569116813 /nfs/dbraw/zinc/11/68/13/569116813.db2.gz IHIXIHDBYCEPKX-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN Cc1cccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036247021 558798512 /nfs/dbraw/zinc/79/85/12/558798512.db2.gz YVZPSWBTSRBCFH-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN COc1ccccc1[C@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247046 569116833 /nfs/dbraw/zinc/11/68/33/569116833.db2.gz OBPNPWXSFDDBQR-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccccc1[C@@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247047 569116958 /nfs/dbraw/zinc/11/69/58/569116958.db2.gz OBPNPWXSFDDBQR-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccccc1[C@H](C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247050 569116941 /nfs/dbraw/zinc/11/69/41/569116941.db2.gz VDOVWAPDOOWGLX-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccccc1[C@@H](C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247051 569116950 /nfs/dbraw/zinc/11/69/50/569116950.db2.gz VDOVWAPDOOWGLX-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(Cl)c2)cc1 ZINC000036247069 569116935 /nfs/dbraw/zinc/11/69/35/569116935.db2.gz LGAVQXTWMCSDKK-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000036247076 569116965 /nfs/dbraw/zinc/11/69/65/569116965.db2.gz NMSWTBCTMZIFFZ-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN Cc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247078 569116963 /nfs/dbraw/zinc/11/69/63/569116963.db2.gz XYPMVQZWJDNOSJ-UHFFFAOYSA-N 0 0 406.334 5.697 50 0 HKAARN O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000036247098 569116952 /nfs/dbraw/zinc/11/69/52/569116952.db2.gz MMSNGXMWEMXOFM-UHFFFAOYSA-N 0 0 410.297 5.528 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc(C)cc2)cc1 ZINC000036247102 569116966 /nfs/dbraw/zinc/11/69/66/569116966.db2.gz NISQQOGFHRYWHX-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2cccc(C)c2)cc1 ZINC000036247108 569116918 /nfs/dbraw/zinc/11/69/18/569116918.db2.gz LTRFEKZYMMMDKY-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN O=S(=O)(c1ccccc1F)N(Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000036247116 569116968 /nfs/dbraw/zinc/11/69/68/569116968.db2.gz NVGHYWVHCYLIIV-UHFFFAOYSA-N 0 0 410.297 5.528 50 0 HKAARN Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2Cl)cc1F ZINC000036247140 569116953 /nfs/dbraw/zinc/11/69/53/569116953.db2.gz PWZFBWDBBCVTOQ-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000036247147 569116944 /nfs/dbraw/zinc/11/69/44/569116944.db2.gz YYOJIMZXFXLJKC-UHFFFAOYSA-N 0 0 421.440 5.110 50 0 HKAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000036247192 569116969 /nfs/dbraw/zinc/11/69/69/569116969.db2.gz DRBHAAZDWZICMQ-UHFFFAOYSA-N 0 0 422.550 5.164 50 0 HKAARN O=S(=O)(c1ccccc1Cl)N(Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000036247242 569116933 /nfs/dbraw/zinc/11/69/33/569116933.db2.gz SIIICSOMFJFMCY-UHFFFAOYSA-N 0 0 411.832 5.153 50 0 HKAARN Cc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247257 569116937 /nfs/dbraw/zinc/11/69/37/569116937.db2.gz YMCCLDVPXJOHRK-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN Cc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247265 569116939 /nfs/dbraw/zinc/11/69/39/569116939.db2.gz SGQYORIJYYBMAX-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2cccc(Cl)c2)cc1 ZINC000036247270 569116964 /nfs/dbraw/zinc/11/69/64/569116964.db2.gz XDAUACMMNPJPDS-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247278 569116946 /nfs/dbraw/zinc/11/69/46/569116946.db2.gz KUIZUIUYMHGYLY-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN O=S(=O)(c1ccccc1Cl)N(Cc1cccc(F)c1)c1cccc(Cl)c1 ZINC000036247336 569117051 /nfs/dbraw/zinc/11/70/51/569117051.db2.gz FDOIIEKWAVBVKO-UHFFFAOYSA-N 0 0 410.297 5.528 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000036247415 569117020 /nfs/dbraw/zinc/11/70/20/569117020.db2.gz VIRMKNYJKKKKQL-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C)c2)cc1 ZINC000036247417 569117022 /nfs/dbraw/zinc/11/70/22/569117022.db2.gz MPSHCRHTYQWDPR-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 ZINC000036247419 569117008 /nfs/dbraw/zinc/11/70/08/569117008.db2.gz BPSBPUXVMTXWPV-UHFFFAOYSA-N 0 0 422.333 5.398 50 0 HKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247432 569117063 /nfs/dbraw/zinc/11/70/63/569117063.db2.gz AULMVSYZPCKGLG-UHFFFAOYSA-N 0 0 422.333 5.398 50 0 HKAARN O=S(=O)(c1ccccc1Cl)N(Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000036247500 569117039 /nfs/dbraw/zinc/11/70/39/569117039.db2.gz MFSFYCYFTXEQOY-UHFFFAOYSA-N 0 0 410.297 5.528 50 0 HKAARN COc1ccccc1CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1F ZINC000036247562 569117032 /nfs/dbraw/zinc/11/70/32/569117032.db2.gz UXHLXSHNUQEULC-UHFFFAOYSA-N 0 0 413.514 5.353 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247626 569117112 /nfs/dbraw/zinc/11/71/12/569117112.db2.gz VZDLIAPRIFOXKS-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247627 569117114 /nfs/dbraw/zinc/11/71/14/569117114.db2.gz VZDLIAPRIFOXKS-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)[C@@H](C)c2ccccc2)cc1 ZINC000036247662 569117144 /nfs/dbraw/zinc/11/71/44/569117144.db2.gz HVJAAPPFUMRQAO-INIZCTEOSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)[C@H](C)c2ccccc2)cc1 ZINC000036247663 569117099 /nfs/dbraw/zinc/11/70/99/569117099.db2.gz HVJAAPPFUMRQAO-MRXNPFEDSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@@H](C)c2ccccc2)cc1 ZINC000036247672 558798612 /nfs/dbraw/zinc/79/86/12/558798612.db2.gz YAGVWPHEVYSSMA-INIZCTEOSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@H](C)c2ccccc2)cc1 ZINC000036247673 558798623 /nfs/dbraw/zinc/79/86/23/558798623.db2.gz YAGVWPHEVYSSMA-MRXNPFEDSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000036247836 569117139 /nfs/dbraw/zinc/11/71/39/569117139.db2.gz OJKHNWNSALZUEP-INIZCTEOSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2cccc(Cl)c2)cc1 ZINC000036247837 569117095 /nfs/dbraw/zinc/11/70/95/569117095.db2.gz OJKHNWNSALZUEP-MRXNPFEDSA-N 0 0 401.915 5.305 50 0 HKAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247932 569117284 /nfs/dbraw/zinc/11/72/84/569117284.db2.gz BYXZMRPFMYPIGS-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cccc(Cl)c2)cc1 ZINC000036247966 558798653 /nfs/dbraw/zinc/79/86/53/558798653.db2.gz DMKVOKWYBVZYRK-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccc(Cl)cc2)cc1 ZINC000036247995 569117297 /nfs/dbraw/zinc/11/72/97/569117297.db2.gz UJGIDMLHMZNUDM-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(Cl)c2)c1 ZINC000036248051 569117214 /nfs/dbraw/zinc/11/72/14/569117214.db2.gz GNFVRFKECJSHJV-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2)c1 ZINC000036248061 569117272 /nfs/dbraw/zinc/11/72/72/569117272.db2.gz XSSKQLJNMIZUHP-UHFFFAOYSA-N 0 0 421.440 5.110 50 0 HKAARN COc1cccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248063 569117264 /nfs/dbraw/zinc/11/72/64/569117264.db2.gz BIXSTFHNZLOVLX-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(N(Cc2ccccc2Cl)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248064 569117288 /nfs/dbraw/zinc/11/72/88/569117288.db2.gz BOHLNDCRTMGTHH-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000036248076 569117239 /nfs/dbraw/zinc/11/72/39/569117239.db2.gz IHLHUAYNSSJTSL-UHFFFAOYSA-N 0 0 421.440 5.110 50 0 HKAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248092 569117197 /nfs/dbraw/zinc/11/71/97/569117197.db2.gz ZXAMNDZAGBDRES-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccc(Br)cc1 ZINC000036248116 569117248 /nfs/dbraw/zinc/11/72/48/569117248.db2.gz MVIVVMMEKAALGQ-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN Cc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Br)cc2)c1 ZINC000036248117 569117206 /nfs/dbraw/zinc/11/72/06/569117206.db2.gz LHEGTDZWJYLMAR-UHFFFAOYSA-N 0 0 416.340 5.153 50 0 HKAARN COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248122 569117263 /nfs/dbraw/zinc/11/72/63/569117263.db2.gz ZTZLGTCMYWTPRF-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248123 569117257 /nfs/dbraw/zinc/11/72/57/569117257.db2.gz DCQKNMJTKYWXFS-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000036248135 569117327 /nfs/dbraw/zinc/11/73/27/569117327.db2.gz IKTIXRCLAQROSN-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000036248136 569117376 /nfs/dbraw/zinc/11/73/76/569117376.db2.gz GOKHGJDZCLAVKT-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000036248138 569117371 /nfs/dbraw/zinc/11/73/71/569117371.db2.gz WYHCDMUMDSBAJK-UHFFFAOYSA-N 0 0 403.906 5.491 50 0 HKAARN O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccc(F)cc1F)c1ccccc1 ZINC000036248162 569117339 /nfs/dbraw/zinc/11/73/39/569117339.db2.gz NDGCPFXVBNBATA-UHFFFAOYSA-N 0 0 411.832 5.153 50 0 HKAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248216 558798593 /nfs/dbraw/zinc/79/85/93/558798593.db2.gz CRSTWSSYYQOJEE-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccc(F)c1)c1cccc(F)c1 ZINC000036248225 558798581 /nfs/dbraw/zinc/79/85/81/558798581.db2.gz CHRQFSRCPFJYJX-UHFFFAOYSA-N 0 0 411.832 5.153 50 0 HKAARN Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(Cl)c2)cc1Cl ZINC000036248271 569117323 /nfs/dbraw/zinc/11/73/23/569117323.db2.gz JLCCUDGJUOFMPT-UHFFFAOYSA-N 0 0 424.324 5.836 50 0 HKAARN COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000036248274 569117318 /nfs/dbraw/zinc/11/73/18/569117318.db2.gz NMOHGSXCACNMKK-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248275 558798607 /nfs/dbraw/zinc/79/86/07/558798607.db2.gz WEYMZBMVRPXKRJ-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000036248287 569117340 /nfs/dbraw/zinc/11/73/40/569117340.db2.gz NYUHNNJSXQRIDP-UHFFFAOYSA-N 0 0 421.896 5.631 50 0 HKAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1F ZINC000036248289 569117308 /nfs/dbraw/zinc/11/73/08/569117308.db2.gz BPRAWNHHLIZQTR-UHFFFAOYSA-N 0 0 405.441 5.116 50 0 HKAARN Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2ccc(Cl)cc2)cc1F ZINC000036248295 558798759 /nfs/dbraw/zinc/79/87/59/558798759.db2.gz ORRMKHLDTFKJAP-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN COc1cccc(N(Cc2ccccc2C)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248306 569117324 /nfs/dbraw/zinc/11/73/24/569117324.db2.gz GWMYEZZYWGWOGP-UHFFFAOYSA-N 0 0 415.942 5.361 50 0 HKAARN COc1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C)cc2)c1 ZINC000036248374 569117455 /nfs/dbraw/zinc/11/74/55/569117455.db2.gz KDWXJIJKLJDGJC-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248377 569117474 /nfs/dbraw/zinc/11/74/74/569117474.db2.gz OXEFMHXSOGSQCQ-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)c1 ZINC000036248379 569117426 /nfs/dbraw/zinc/11/74/26/569117426.db2.gz DQMXWLGOZQPCFJ-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248383 569117441 /nfs/dbraw/zinc/11/74/41/569117441.db2.gz NIUYQUSALHHCGT-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248384 558798750 /nfs/dbraw/zinc/79/87/50/558798750.db2.gz XLEMPLCOKXGMOT-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248385 558798781 /nfs/dbraw/zinc/79/87/81/558798781.db2.gz BLQPSKHRHJZLEZ-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248390 569117500 /nfs/dbraw/zinc/11/75/00/569117500.db2.gz HTWJWLRNAXMOJK-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248395 569117466 /nfs/dbraw/zinc/11/74/66/569117466.db2.gz BDYBLZRRKXDKSR-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1ccc(CN(c2ccccc2F)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248397 569117468 /nfs/dbraw/zinc/11/74/68/569117468.db2.gz CXXRIYOBVFZWHN-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000036248401 569117485 /nfs/dbraw/zinc/11/74/85/569117485.db2.gz RHJBDCKFFTUXAX-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN O=S(=O)(c1cc(Cl)ccc1F)N(Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000036248440 569117560 /nfs/dbraw/zinc/11/75/60/569117560.db2.gz OCXQFIAINJZIAU-UHFFFAOYSA-N 0 0 411.832 5.153 50 0 HKAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(F)c2)cc1Cl ZINC000036248441 569117567 /nfs/dbraw/zinc/11/75/67/569117567.db2.gz YHUCQRDDDJRMLG-UHFFFAOYSA-N 0 0 407.869 5.322 50 0 HKAARN COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248454 569117554 /nfs/dbraw/zinc/11/75/54/569117554.db2.gz CDLSMDDHZAXUKE-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248505 569117677 /nfs/dbraw/zinc/11/76/77/569117677.db2.gz VZJMJJYCYIKIMB-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1ccccc1CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248516 569117711 /nfs/dbraw/zinc/11/77/11/569117711.db2.gz GGPNRXSWUUJGPC-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccccc1CN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036248521 569117661 /nfs/dbraw/zinc/11/76/61/569117661.db2.gz QXLRSAPSDWBZRN-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000036248533 569117850 /nfs/dbraw/zinc/11/78/50/569117850.db2.gz SAYJOTVXQWHPTK-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(F)ccc1C ZINC000036248534 569116530 /nfs/dbraw/zinc/11/65/30/569116530.db2.gz SCXULUQFQYXRLF-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248569 569118186 /nfs/dbraw/zinc/11/81/86/569118186.db2.gz CZCFRJRNRWVRKX-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248570 569118203 /nfs/dbraw/zinc/11/82/03/569118203.db2.gz CZCFRJRNRWVRKX-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000036248571 569118228 /nfs/dbraw/zinc/11/82/28/569118228.db2.gz OJDALJDBINMNEI-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000036248572 569118219 /nfs/dbraw/zinc/11/82/19/569118219.db2.gz OJDALJDBINMNEI-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248575 569118206 /nfs/dbraw/zinc/11/82/06/569118206.db2.gz QBOAPLQTSTYHAZ-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248576 569118190 /nfs/dbraw/zinc/11/81/90/569118190.db2.gz QBOAPLQTSTYHAZ-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248589 569118195 /nfs/dbraw/zinc/11/81/95/569118195.db2.gz LCGRCXOIMHGTBJ-INIZCTEOSA-N 0 0 403.906 5.744 50 0 HKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248590 569118227 /nfs/dbraw/zinc/11/82/27/569118227.db2.gz LCGRCXOIMHGTBJ-MRXNPFEDSA-N 0 0 403.906 5.744 50 0 HKAARN COc1cccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248599 569118218 /nfs/dbraw/zinc/11/82/18/569118218.db2.gz RIVFPXZHQUZXEV-KRWDZBQOSA-N 0 0 415.942 5.614 50 0 HKAARN COc1cccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248600 569118202 /nfs/dbraw/zinc/11/82/02/569118202.db2.gz RIVFPXZHQUZXEV-QGZVFWFLSA-N 0 0 415.942 5.614 50 0 HKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000036248607 558798770 /nfs/dbraw/zinc/79/87/70/558798770.db2.gz JBHFVFSARIWUJW-HNNXBMFYSA-N 0 0 421.896 5.883 50 0 HKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000036248608 558798757 /nfs/dbraw/zinc/79/87/57/558798757.db2.gz JBHFVFSARIWUJW-OAHLLOKOSA-N 0 0 421.896 5.883 50 0 HKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000036248609 569118294 /nfs/dbraw/zinc/11/82/94/569118294.db2.gz VUKZJVBEHUFYIJ-KRWDZBQOSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000036248610 569118302 /nfs/dbraw/zinc/11/83/02/569118302.db2.gz VUKZJVBEHUFYIJ-QGZVFWFLSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1F ZINC000036248611 569118318 /nfs/dbraw/zinc/11/83/18/569118318.db2.gz UNRWQEUNNXAEDV-KRWDZBQOSA-N 0 0 401.478 5.538 50 0 HKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1F ZINC000036248612 569118354 /nfs/dbraw/zinc/11/83/54/569118354.db2.gz UNRWQEUNNXAEDV-QGZVFWFLSA-N 0 0 401.478 5.538 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248625 558798755 /nfs/dbraw/zinc/79/87/55/558798755.db2.gz FUJIAWYMWULEGS-GOSISDBHSA-N 0 0 413.514 5.408 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248626 558798761 /nfs/dbraw/zinc/79/87/61/558798761.db2.gz FUJIAWYMWULEGS-SFHVURJKSA-N 0 0 413.514 5.408 50 0 HKAARN Cc1ccc([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248631 569118364 /nfs/dbraw/zinc/11/83/64/569118364.db2.gz YRJCTRDOHBTMLM-QGZVFWFLSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1ccc([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000036248632 569118371 /nfs/dbraw/zinc/11/83/71/569118371.db2.gz YRJCTRDOHBTMLM-KRWDZBQOSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1ccc([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248633 569118338 /nfs/dbraw/zinc/11/83/38/569118338.db2.gz BEZGUTBGMVAYPM-LJQANCHMSA-N 0 0 413.970 6.222 50 0 HKAARN Cc1ccc([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248634 569118373 /nfs/dbraw/zinc/11/83/73/569118373.db2.gz BEZGUTBGMVAYPM-IBGZPJMESA-N 0 0 413.970 6.222 50 0 HKAARN COc1ccc(N([C@@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248693 558798777 /nfs/dbraw/zinc/79/87/77/558798777.db2.gz JQSNZOOVAQNORP-HNNXBMFYSA-N 0 0 419.905 5.444 50 0 HKAARN COc1ccc(N([C@H](C)c2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248694 558798751 /nfs/dbraw/zinc/79/87/51/558798751.db2.gz JQSNZOOVAQNORP-OAHLLOKOSA-N 0 0 419.905 5.444 50 0 HKAARN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@@H](C)c2ccccc2F)cc1Cl ZINC000036248713 569118293 /nfs/dbraw/zinc/11/82/93/569118293.db2.gz QMLGZUMPYRKIRQ-HNNXBMFYSA-N 0 0 421.896 5.883 50 0 HKAARN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@H](C)c2ccccc2F)cc1Cl ZINC000036248714 569118297 /nfs/dbraw/zinc/11/82/97/569118297.db2.gz QMLGZUMPYRKIRQ-OAHLLOKOSA-N 0 0 421.896 5.883 50 0 HKAARN Cc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248735 569118333 /nfs/dbraw/zinc/11/83/33/569118333.db2.gz SDALWQAQGMUVNW-KRWDZBQOSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000036248736 569118352 /nfs/dbraw/zinc/11/83/52/569118352.db2.gz SDALWQAQGMUVNW-QGZVFWFLSA-N 0 0 417.933 6.052 50 0 HKAARN Cc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248737 569118335 /nfs/dbraw/zinc/11/83/35/569118335.db2.gz UHRIYWBSQXVSQS-KRWDZBQOSA-N 0 0 401.478 5.538 50 0 HKAARN Cc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248738 569118356 /nfs/dbraw/zinc/11/83/56/569118356.db2.gz UHRIYWBSQXVSQS-QGZVFWFLSA-N 0 0 401.478 5.538 50 0 HKAARN COc1cccc([C@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248761 569118300 /nfs/dbraw/zinc/11/83/00/569118300.db2.gz SPDICSHDXGOPKY-INIZCTEOSA-N 0 0 417.477 5.238 50 0 HKAARN COc1cccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248762 569118358 /nfs/dbraw/zinc/11/83/58/569118358.db2.gz SPDICSHDXGOPKY-MRXNPFEDSA-N 0 0 417.477 5.238 50 0 HKAARN COc1cccc(CN(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248779 569118299 /nfs/dbraw/zinc/11/82/99/569118299.db2.gz WQSZLJIRKVYGQU-UHFFFAOYSA-N 0 0 401.915 5.053 50 0 HKAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000036248784 569118316 /nfs/dbraw/zinc/11/83/16/569118316.db2.gz HPDPSADCIHPWIB-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248785 569118324 /nfs/dbraw/zinc/11/83/24/569118324.db2.gz CEHJSFSNKCPWGU-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000036248801 569118370 /nfs/dbraw/zinc/11/83/70/569118370.db2.gz QUJYTFLRRIJBQQ-UHFFFAOYSA-N 0 0 423.868 5.022 50 0 HKAARN COc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000036248802 559229417 /nfs/dbraw/zinc/22/94/17/559229417.db2.gz ZQSVFQLHCRARCB-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248852 569117984 /nfs/dbraw/zinc/11/79/84/569117984.db2.gz FADYVIPCIUZUEB-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248853 569118007 /nfs/dbraw/zinc/11/80/07/569118007.db2.gz LCLAAXMSDWAMAM-UHFFFAOYSA-N 0 0 419.905 5.192 50 0 HKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C(=O)c1ccco1 ZINC000036248893 569117925 /nfs/dbraw/zinc/11/79/25/569117925.db2.gz FJSBXJDPPRUBAS-UHFFFAOYSA-N 0 0 409.530 5.469 50 0 HKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(Cc1ccco1)C(=O)C(C)C ZINC000036248974 569117980 /nfs/dbraw/zinc/11/79/80/569117980.db2.gz VDNXGNGKYJGCCM-UHFFFAOYSA-N 0 0 413.493 5.105 50 0 HKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)Cc1ccccc1)C(C)C ZINC000036248985 569117936 /nfs/dbraw/zinc/11/79/36/569117936.db2.gz KYMAMZJZFKAADQ-UHFFFAOYSA-N 0 0 423.532 5.307 50 0 HKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)c1ccccc1)C1CC1 ZINC000036248990 569117937 /nfs/dbraw/zinc/11/79/37/569117937.db2.gz CJNPHRKKPZEDJM-UHFFFAOYSA-N 0 0 407.489 5.132 50 0 HKAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)Cc1ccccc1)C1CC1 ZINC000036248994 569117961 /nfs/dbraw/zinc/11/79/61/569117961.db2.gz BLFYAMBIRFJPFH-UHFFFAOYSA-N 0 0 421.516 5.061 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc(F)cc1 ZINC000036249031 569117998 /nfs/dbraw/zinc/11/79/98/569117998.db2.gz MZKMWKLIGVKPAD-UHFFFAOYSA-N 0 0 409.505 5.378 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1F ZINC000036249036 569117927 /nfs/dbraw/zinc/11/79/27/569117927.db2.gz CNFLCQWRIHCZER-UHFFFAOYSA-N 0 0 409.505 5.378 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(F)c1 ZINC000036249037 569118004 /nfs/dbraw/zinc/11/80/04/569118004.db2.gz LXCISLYQWLJAAE-UHFFFAOYSA-N 0 0 409.505 5.378 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)Cc1ccccc1 ZINC000036249039 569118002 /nfs/dbraw/zinc/11/80/02/569118002.db2.gz VHXMXBGSTLSGET-UHFFFAOYSA-N 0 0 405.542 5.168 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1 ZINC000036249040 569117926 /nfs/dbraw/zinc/11/79/26/569117926.db2.gz GNDRMPRLVXKYQB-UHFFFAOYSA-N 0 0 421.541 5.247 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccccc1OC ZINC000036249042 569117985 /nfs/dbraw/zinc/11/79/85/569117985.db2.gz ANODHPCYODPQEL-UHFFFAOYSA-N 0 0 421.541 5.247 50 0 HKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1ccc(F)cc1 ZINC000036249044 569117929 /nfs/dbraw/zinc/11/79/29/569117929.db2.gz XENWNXMGGYWMAA-UHFFFAOYSA-N 0 0 423.532 5.510 50 0 HKAARN Cc1ccc(-c2noc(N3CCCC3)c2CN(C(=O)Cc2ccccc2)C(C)C)cc1 ZINC000036249049 569117963 /nfs/dbraw/zinc/11/79/63/569117963.db2.gz CJQPPPRDSQENTD-UHFFFAOYSA-N 0 0 417.553 5.230 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)Nc1ccc(C)cc1 ZINC000036249070 569117928 /nfs/dbraw/zinc/11/79/28/569117928.db2.gz DIOKNMCKOVOFLK-UHFFFAOYSA-N 0 0 420.557 5.939 50 0 HKAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)C(=O)Cc1ccccc1 ZINC000036249111 569118005 /nfs/dbraw/zinc/11/80/05/569118005.db2.gz BBJMWBXKSPWMHP-UHFFFAOYSA-N 0 0 423.532 5.308 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccs1 ZINC000036249423 569118187 /nfs/dbraw/zinc/11/81/87/569118187.db2.gz ZRWJELLDIPOJLG-UHFFFAOYSA-N 0 0 409.555 5.444 50 0 HKAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F ZINC000036249427 569118184 /nfs/dbraw/zinc/11/81/84/569118184.db2.gz DKODCFCIXAWDIO-UHFFFAOYSA-N 0 0 421.516 5.522 50 0 HKAARN O=C(c1ccc(F)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249432 569118210 /nfs/dbraw/zinc/11/82/10/569118210.db2.gz LAJBVJBSHGSIIL-UHFFFAOYSA-N 0 0 419.500 5.276 50 0 HKAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249435 569118192 /nfs/dbraw/zinc/11/81/92/569118192.db2.gz QRBXUJCGUIMXLL-UHFFFAOYSA-N 0 0 407.539 5.198 50 0 HKAARN Cc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249440 569117939 /nfs/dbraw/zinc/11/79/39/569117939.db2.gz PUVQXJKOSKCSSP-UHFFFAOYSA-N 0 0 415.537 5.445 50 0 HKAARN O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249442 569117988 /nfs/dbraw/zinc/11/79/88/569117988.db2.gz FGEYMKZYZHQVSQ-UHFFFAOYSA-N 0 0 419.500 5.276 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249443 569118060 /nfs/dbraw/zinc/11/80/60/569118060.db2.gz TYFXZUMOHIFCCZ-UHFFFAOYSA-N 0 0 419.500 5.276 50 0 HKAARN O=C(Cc1ccccc1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249446 569118193 /nfs/dbraw/zinc/11/81/93/569118193.db2.gz FQCNFFGCRLGAOY-UHFFFAOYSA-N 0 0 415.537 5.066 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1 ZINC000036249456 569118555 /nfs/dbraw/zinc/11/85/55/569118555.db2.gz BXRKRPQELIXVTN-UHFFFAOYSA-N 0 0 403.526 5.384 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F ZINC000036249459 569118508 /nfs/dbraw/zinc/11/85/08/569118508.db2.gz NTKLPCHFAZHWNF-UHFFFAOYSA-N 0 0 421.516 5.523 50 0 HKAARN CC(C)CC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312580 569132901 /nfs/dbraw/zinc/13/29/01/569132901.db2.gz ZFTPBIZSXZCUBL-UHFFFAOYSA-N 0 0 421.541 5.500 50 0 HKAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036312687 569133002 /nfs/dbraw/zinc/13/30/02/569133002.db2.gz WGJFHEWRXPTGKE-UHFFFAOYSA-N 0 0 421.566 5.446 50 0 HKAARN O=C(C1CCCC1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036312702 569132986 /nfs/dbraw/zinc/13/29/86/569132986.db2.gz QYRKQADOXAQYMG-UHFFFAOYSA-N 0 0 407.558 5.261 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315120 569134768 /nfs/dbraw/zinc/13/47/68/569134768.db2.gz HQWDPPIRUBHTBC-CQSZACIVSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315121 569134778 /nfs/dbraw/zinc/13/47/78/569134778.db2.gz HQWDPPIRUBHTBC-AWEZNQCLSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2cccc(F)c2F)C1 ZINC000036315318 569134866 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O=C(c1cccc(Cl)c1)N1CCC[C@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315414 569134851 /nfs/dbraw/zinc/13/48/51/569134851.db2.gz UXLULIFDLARSHG-SFHVURJKSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315415 569134881 /nfs/dbraw/zinc/13/48/81/569134881.db2.gz UXLULIFDLARSHG-GOSISDBHSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1ccccc1Cl)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315434 569134846 /nfs/dbraw/zinc/13/48/46/569134846.db2.gz ZGLBENDNZOCYJZ-INIZCTEOSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1ccccc1Cl)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315435 569134896 /nfs/dbraw/zinc/13/48/96/569134896.db2.gz ZGLBENDNZOCYJZ-MRXNPFEDSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315454 569134913 /nfs/dbraw/zinc/13/49/13/569134913.db2.gz RYQFOWZBGSZOGL-GOSISDBHSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315455 559232971 /nfs/dbraw/zinc/23/29/71/559232971.db2.gz RYQFOWZBGSZOGL-SFHVURJKSA-N 0 0 413.823 5.060 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2cc(F)ccc2F)C1 ZINC000036315518 569135020 /nfs/dbraw/zinc/13/50/20/569135020.db2.gz XUMZORNQRLKWAH-OAHLLOKOSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2cc(F)ccc2F)C1 ZINC000036315519 569135018 /nfs/dbraw/zinc/13/50/18/569135018.db2.gz XUMZORNQRLKWAH-HNNXBMFYSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCc2cc(F)ccc2F)C1 ZINC000036315522 569134952 /nfs/dbraw/zinc/13/49/52/569134952.db2.gz VDFYPSKBPSPMFP-HNNXBMFYSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCc2cc(F)ccc2F)C1 ZINC000036315523 569134939 /nfs/dbraw/zinc/13/49/39/569134939.db2.gz VDFYPSKBPSPMFP-OAHLLOKOSA-N 0 0 400.252 5.093 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036315844 569134951 /nfs/dbraw/zinc/13/49/51/569134951.db2.gz PYZIBMWQPOUVLZ-SFHVURJKSA-N 0 0 423.738 5.316 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](OCc2ccc(Br)cc2)C1 ZINC000036315845 569135027 /nfs/dbraw/zinc/13/50/27/569135027.db2.gz PYZIBMWQPOUVLZ-GOSISDBHSA-N 0 0 423.738 5.316 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315872 559233339 /nfs/dbraw/zinc/23/33/39/559233339.db2.gz VMDXQDONRKHCPJ-GOSISDBHSA-N 0 0 412.839 5.572 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315873 569134966 /nfs/dbraw/zinc/13/49/66/569134966.db2.gz VMDXQDONRKHCPJ-SFHVURJKSA-N 0 0 412.839 5.572 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000036315892 569135093 /nfs/dbraw/zinc/13/50/93/569135093.db2.gz YVMSICCBLPQJDO-IBGZPJMESA-N 0 0 408.420 5.107 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@@H](OCc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000036315893 569135123 /nfs/dbraw/zinc/13/51/23/569135123.db2.gz YVMSICCBLPQJDO-LJQANCHMSA-N 0 0 408.420 5.107 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340970 569141830 /nfs/dbraw/zinc/14/18/30/569141830.db2.gz ASUPPWPAGRMIRN-QHCPKHFHSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340971 569141781 /nfs/dbraw/zinc/14/17/81/569141781.db2.gz ASUPPWPAGRMIRN-HSZRJFAPSA-N 0 0 409.961 5.120 50 0 HKAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000036341072 569141819 /nfs/dbraw/zinc/14/18/19/569141819.db2.gz YMSRXJQNXFNSGC-QHCPKHFHSA-N 0 0 421.903 5.293 50 0 HKAARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000036341073 569141767 /nfs/dbraw/zinc/14/17/67/569141767.db2.gz YMSRXJQNXFNSGC-HSZRJFAPSA-N 0 0 421.903 5.293 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN(C)c3ccccc3)[C@H](c3ccccc3F)C2)cc1C ZINC000036341485 569142018 /nfs/dbraw/zinc/14/20/18/569142018.db2.gz WUPDADXCDQNZHP-VWLOTQADSA-N 0 0 415.512 5.257 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN(C)c3ccccc3)[C@@H](c3ccccc3F)C2)cc1C ZINC000036341486 569141974 /nfs/dbraw/zinc/14/19/74/569141974.db2.gz WUPDADXCDQNZHP-RUZDIDTESA-N 0 0 415.512 5.257 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3)C2)cc1C ZINC000036341595 569141975 /nfs/dbraw/zinc/14/19/75/569141975.db2.gz HTSXDPOWOSTOEP-SANMLTNESA-N 0 0 411.549 5.113 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341596 569141993 /nfs/dbraw/zinc/14/19/93/569141993.db2.gz HTSXDPOWOSTOEP-AREMUKBSSA-N 0 0 411.549 5.113 50 0 HKAARN Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343513 569142839 /nfs/dbraw/zinc/14/28/39/569142839.db2.gz YEDQWMRKGPVIMO-MHZLTWQESA-N 0 0 423.560 5.039 50 0 HKAARN Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036343516 569143063 /nfs/dbraw/zinc/14/30/63/569143063.db2.gz YEDQWMRKGPVIMO-HHHXNRCGSA-N 0 0 423.560 5.039 50 0 HKAARN Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343521 569143072 /nfs/dbraw/zinc/14/30/72/569143072.db2.gz JNIKXAWWAVGXBW-SANMLTNESA-N 0 0 411.549 5.113 50 0 HKAARN Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036343523 569143082 /nfs/dbraw/zinc/14/30/82/569143082.db2.gz JNIKXAWWAVGXBW-AREMUKBSSA-N 0 0 411.549 5.113 50 0 HKAARN CN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343737 569142317 /nfs/dbraw/zinc/14/23/17/569142317.db2.gz BKKJHSQXAZBBGO-DEOSSOPVSA-N 0 0 417.940 5.150 50 0 HKAARN CN(CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343739 569142380 /nfs/dbraw/zinc/14/23/80/569142380.db2.gz BKKJHSQXAZBBGO-XMMPIXPASA-N 0 0 417.940 5.150 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343834 569142325 /nfs/dbraw/zinc/14/23/25/569142325.db2.gz AKVZLYHEBVOMAY-QHCPKHFHSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343835 569142370 /nfs/dbraw/zinc/14/23/70/569142370.db2.gz AKVZLYHEBVOMAY-HSZRJFAPSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343864 569142311 /nfs/dbraw/zinc/14/23/11/569142311.db2.gz JIRMUFOETAWUKW-QHCPKHFHSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343866 569142368 /nfs/dbraw/zinc/14/23/68/569142368.db2.gz JIRMUFOETAWUKW-HSZRJFAPSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)c1 ZINC000036344546 569142712 /nfs/dbraw/zinc/14/27/12/569142712.db2.gz YAJVIHOWZSOUAD-QHCPKHFHSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)c1 ZINC000036344547 569142687 /nfs/dbraw/zinc/14/26/87/569142687.db2.gz YAJVIHOWZSOUAD-HSZRJFAPSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345061 569143019 /nfs/dbraw/zinc/14/30/19/569143019.db2.gz HDKDXXMWGKATOC-QHCPKHFHSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345062 569142998 /nfs/dbraw/zinc/14/29/98/569142998.db2.gz HDKDXXMWGKATOC-HSZRJFAPSA-N 0 0 409.961 5.120 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036345567 569143200 /nfs/dbraw/zinc/14/32/00/569143200.db2.gz JSMYUJOYBCSUDN-MHZLTWQESA-N 0 0 423.560 5.039 50 0 HKAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036345568 569143216 /nfs/dbraw/zinc/14/32/16/569143216.db2.gz JSMYUJOYBCSUDN-HHHXNRCGSA-N 0 0 423.560 5.039 50 0 HKAARN FC(F)(F)c1ccc([C@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1 ZINC000036347340 569143841 /nfs/dbraw/zinc/14/38/41/569143841.db2.gz VLJGNYHTKMLRMA-NRFANRHFSA-N 0 0 404.863 6.156 50 0 HKAARN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1 ZINC000036347341 569143836 /nfs/dbraw/zinc/14/38/36/569143836.db2.gz VLJGNYHTKMLRMA-OAQYLSRUSA-N 0 0 404.863 6.156 50 0 HKAARN COc1cc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347382 569143785 /nfs/dbraw/zinc/14/37/85/569143785.db2.gz FGZYYWCZTKNNSG-QFIPXVFZSA-N 0 0 416.443 5.216 50 0 HKAARN COc1cc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347383 569143822 /nfs/dbraw/zinc/14/38/22/569143822.db2.gz FGZYYWCZTKNNSG-JOCHJYFZSA-N 0 0 416.443 5.216 50 0 HKAARN Clc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347472 569143993 /nfs/dbraw/zinc/14/39/93/569143993.db2.gz LPRUPTJQKYWLSU-NRFANRHFSA-N 0 0 405.756 6.444 50 0 HKAARN Clc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000036347473 569143939 /nfs/dbraw/zinc/14/39/39/569143939.db2.gz LPRUPTJQKYWLSU-OAQYLSRUSA-N 0 0 405.756 6.444 50 0 HKAARN Fc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000036347496 569143927 /nfs/dbraw/zinc/14/39/27/569143927.db2.gz NDQOEDTXEVFPJF-OAQYLSRUSA-N 0 0 407.291 6.068 50 0 HKAARN Fc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000036347497 569143959 /nfs/dbraw/zinc/14/39/59/569143959.db2.gz NDQOEDTXEVFPJF-NRFANRHFSA-N 0 0 407.291 6.068 50 0 HKAARN FC(F)(F)c1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000036347542 569144146 /nfs/dbraw/zinc/14/41/46/569144146.db2.gz ZEJTVFYLKNEHDE-NRFANRHFSA-N 0 0 404.863 6.156 50 0 HKAARN FC(F)(F)c1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000036347543 569144269 /nfs/dbraw/zinc/14/42/69/569144269.db2.gz ZEJTVFYLKNEHDE-OAQYLSRUSA-N 0 0 404.863 6.156 50 0 HKAARN Fc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347881 569144431 /nfs/dbraw/zinc/14/44/31/569144431.db2.gz NEKBUBHJMWTBIC-HHHXNRCGSA-N 0 0 412.508 6.415 50 0 HKAARN Fc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347882 569144525 /nfs/dbraw/zinc/14/45/25/569144525.db2.gz NEKBUBHJMWTBIC-MHZLTWQESA-N 0 0 412.508 6.415 50 0 HKAARN Fc1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347889 569144488 /nfs/dbraw/zinc/14/44/88/569144488.db2.gz MGFNYZYIQZJUOE-HHHXNRCGSA-N 0 0 412.508 6.415 50 0 HKAARN Fc1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347890 569144491 /nfs/dbraw/zinc/14/44/91/569144491.db2.gz MGFNYZYIQZJUOE-MHZLTWQESA-N 0 0 412.508 6.415 50 0 HKAARN CC(C)c1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348027 569144384 /nfs/dbraw/zinc/14/43/84/569144384.db2.gz QTHRKGQOTOPTSW-XMMPIXPASA-N 0 0 412.499 6.626 50 0 HKAARN CC(C)c1ccc([C@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348028 569144531 /nfs/dbraw/zinc/14/45/31/569144531.db2.gz QTHRKGQOTOPTSW-DEOSSOPVSA-N 0 0 412.499 6.626 50 0 HKAARN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348087 569144426 /nfs/dbraw/zinc/14/44/26/569144426.db2.gz UPJUVTJXOUUCBJ-XMMPIXPASA-N 0 0 420.553 5.072 50 0 HKAARN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348088 569144456 /nfs/dbraw/zinc/14/44/56/569144456.db2.gz UPJUVTJXOUUCBJ-DEOSSOPVSA-N 0 0 420.553 5.072 50 0 HKAARN Fc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348239 569144510 /nfs/dbraw/zinc/14/45/10/569144510.db2.gz KAGPYVRPLLGILZ-MHZLTWQESA-N 0 0 412.508 6.415 50 0 HKAARN Fc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348240 569144367 /nfs/dbraw/zinc/14/43/67/569144367.db2.gz KAGPYVRPLLGILZ-HHHXNRCGSA-N 0 0 412.508 6.415 50 0 HKAARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348337 569144290 /nfs/dbraw/zinc/14/42/90/569144290.db2.gz DDDSFRCYXSNJTC-JOCHJYFZSA-N 0 0 400.444 5.511 50 0 HKAARN COc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348338 569144161 /nfs/dbraw/zinc/14/41/61/569144161.db2.gz DDDSFRCYXSNJTC-QFIPXVFZSA-N 0 0 400.444 5.511 50 0 HKAARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)c1 ZINC000036348349 569144326 /nfs/dbraw/zinc/14/43/26/569144326.db2.gz QPKPXPKPIYQLIF-JOCHJYFZSA-N 0 0 400.444 5.511 50 0 HKAARN COc1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)c1 ZINC000036348350 569144252 /nfs/dbraw/zinc/14/42/52/569144252.db2.gz QPKPXPKPIYQLIF-QFIPXVFZSA-N 0 0 400.444 5.511 50 0 HKAARN CCc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348547 569144407 /nfs/dbraw/zinc/14/44/07/569144407.db2.gz VDIWXWUNOUVJSG-DEOSSOPVSA-N 0 0 420.553 5.072 50 0 HKAARN CCc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348548 569144356 /nfs/dbraw/zinc/14/43/56/569144356.db2.gz VDIWXWUNOUVJSG-XMMPIXPASA-N 0 0 420.553 5.072 50 0 HKAARN Fc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348649 569144507 /nfs/dbraw/zinc/14/45/07/569144507.db2.gz JSGSXCXZIBXEDN-NRFANRHFSA-N 0 0 406.398 5.780 50 0 HKAARN Fc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(C(F)(F)F)c2)cc1F ZINC000036348651 569144528 /nfs/dbraw/zinc/14/45/28/569144528.db2.gz JSGSXCXZIBXEDN-OAQYLSRUSA-N 0 0 406.398 5.780 50 0 HKAARN Fc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348664 569144498 /nfs/dbraw/zinc/14/44/98/569144498.db2.gz JDMBNIRJZQAHDS-NRFANRHFSA-N 0 0 406.398 5.780 50 0 HKAARN Fc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1F ZINC000036348665 569144611 /nfs/dbraw/zinc/14/46/11/569144611.db2.gz JDMBNIRJZQAHDS-OAQYLSRUSA-N 0 0 406.398 5.780 50 0 HKAARN O=C(NCc1ccc2c(c1)OCO2)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000036349075 571317429 /nfs/dbraw/zinc/31/74/29/571317429.db2.gz IQFCOOQFSDRSLF-UHFFFAOYSA-N 0 0 424.456 5.200 50 0 HKAARN COc1cccc(Oc2cc(-c3ccccc3)nc(SCc3ccccc3)n2)c1 ZINC000036349447 569144620 /nfs/dbraw/zinc/14/46/20/569144620.db2.gz OBZFTZBLBNDCPU-UHFFFAOYSA-N 0 0 400.503 6.237 50 0 HKAARN COc1ccc(Oc2cc(-c3ccccc3)nc(SCc3ccccc3)n2)cc1 ZINC000036349453 569144577 /nfs/dbraw/zinc/14/45/77/569144577.db2.gz UKAROBXUTABJNL-UHFFFAOYSA-N 0 0 400.503 6.237 50 0 HKAARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000036349490 569144595 /nfs/dbraw/zinc/14/45/95/569144595.db2.gz KVUJTLVJLUXEQG-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN CC(C)c1cc(Oc2ccccc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349494 569144593 /nfs/dbraw/zinc/14/45/93/569144593.db2.gz PFOQZTOEKPXVKD-UHFFFAOYSA-N 0 0 404.457 6.703 50 0 HKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000036349495 569144610 /nfs/dbraw/zinc/14/46/10/569144610.db2.gz ZAFYLRCRECZKCF-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN CC(C)c1cc(Oc2ccccc2F)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349497 569144658 /nfs/dbraw/zinc/14/46/58/569144658.db2.gz IDUGYOVBJAFOCA-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN CC(C)c1cc(Oc2cccc(F)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349498 569144639 /nfs/dbraw/zinc/14/46/39/569144639.db2.gz YWPRLVRYCTUBFI-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN CC(C)c1cc(Oc2ccc(F)cc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349500 569144636 /nfs/dbraw/zinc/14/46/36/569144636.db2.gz BBPPXCWVMWCHKF-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN Cc1ccccc1Oc1cc(C(C)C)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349501 569144671 /nfs/dbraw/zinc/14/46/71/569144671.db2.gz GBTIANQJQJQFLR-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN COc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(Cl)c3)n2)c1 ZINC000036349647 569147070 /nfs/dbraw/zinc/14/70/70/569147070.db2.gz DEBVOYOEHNYZPX-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN CC(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2cccc(Cl)c2)n1 ZINC000036349649 569147097 /nfs/dbraw/zinc/14/70/97/569147097.db2.gz LXZBCUSUMLKQLV-UHFFFAOYSA-N 0 0 406.885 6.616 50 0 HKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2cccc(Cl)c2)n1 ZINC000036349650 569147054 /nfs/dbraw/zinc/14/70/54/569147054.db2.gz DTQRNXLONMOTIJ-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN CC(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(Cl)c2)n1 ZINC000036349652 569147090 /nfs/dbraw/zinc/14/70/90/569147090.db2.gz ASKUECBFTLEMJX-UHFFFAOYSA-N 0 0 414.914 6.067 50 0 HKAARN CC(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2cccc(Cl)c2)n1 ZINC000036349654 569147060 /nfs/dbraw/zinc/14/70/60/569147060.db2.gz QRRQFVQQYROVBZ-UHFFFAOYSA-N 0 0 405.350 6.991 50 0 HKAARN CC(C)c1cc(Oc2ccc(Cl)cc2)nc(SCc2ccccc2Cl)n1 ZINC000036349715 569147082 /nfs/dbraw/zinc/14/70/82/569147082.db2.gz OKHQBQVVMJAPKV-UHFFFAOYSA-N 0 0 405.350 6.991 50 0 HKAARN CC(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2ccccc2Cl)n1 ZINC000036349716 569147077 /nfs/dbraw/zinc/14/70/77/569147077.db2.gz RDGJBPPRWUFLPG-UHFFFAOYSA-N 0 0 406.885 6.616 50 0 HKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2ccccc2Cl)n1 ZINC000036349718 569147083 /nfs/dbraw/zinc/14/70/83/569147083.db2.gz WIYCZQKQBTVJFT-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN CC(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2Cl)n1 ZINC000036349719 569147068 /nfs/dbraw/zinc/14/70/68/569147068.db2.gz OSSKUYJEFDXJOE-UHFFFAOYSA-N 0 0 414.914 6.067 50 0 HKAARN COc1ccc(Oc2cc(C(C)C)nc(SCc3ccccc3Cl)n2)cc1 ZINC000036349720 569147063 /nfs/dbraw/zinc/14/70/63/569147063.db2.gz HTVIZGPDROAETN-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN CC(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2ccccc2Cl)n1 ZINC000036349723 569147062 /nfs/dbraw/zinc/14/70/62/569147062.db2.gz HNFMTUPOBCJVOO-UHFFFAOYSA-N 0 0 405.350 6.991 50 0 HKAARN CC(C)c1ccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)cc1 ZINC000036349735 569147069 /nfs/dbraw/zinc/14/70/69/569147069.db2.gz IMADIWPAVPDAHS-UHFFFAOYSA-N 0 0 414.521 7.086 50 0 HKAARN COc1cc(C)ccc1Oc1cc(C(C)C)nc(SCc2ccc(F)cc2F)n1 ZINC000036349736 569147059 /nfs/dbraw/zinc/14/70/59/569147059.db2.gz KKSIPZHTFPINNB-UHFFFAOYSA-N 0 0 416.493 6.280 50 0 HKAARN CCc1cccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)c1 ZINC000036349738 569147095 /nfs/dbraw/zinc/14/70/95/569147095.db2.gz GDFDCKOGJCIUBB-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2ccc(F)cc2F)n1 ZINC000036349740 569147093 /nfs/dbraw/zinc/14/70/93/569147093.db2.gz RDTUFMFYAQZXOI-UHFFFAOYSA-N 0 0 402.466 5.971 50 0 HKAARN CC(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccc(F)cc2F)n1 ZINC000036349742 569147058 /nfs/dbraw/zinc/14/70/58/569147058.db2.gz FJOIOIXBRPEWRT-UHFFFAOYSA-N 0 0 416.449 5.692 50 0 HKAARN COc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)cc1 ZINC000036349744 569147067 /nfs/dbraw/zinc/14/70/67/569147067.db2.gz HBPTUGGXSIEPHY-UHFFFAOYSA-N 0 0 402.466 5.971 50 0 HKAARN CC(C)c1cccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)c1 ZINC000036349746 569147087 /nfs/dbraw/zinc/14/70/87/569147087.db2.gz ZHVSHKYYBPWVCB-UHFFFAOYSA-N 0 0 414.521 7.086 50 0 HKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)c(C)c1 ZINC000036349747 569147075 /nfs/dbraw/zinc/14/70/75/569147075.db2.gz PPGSPBZSHMRILV-UHFFFAOYSA-N 0 0 400.494 6.580 50 0 HKAARN Cc1cc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)ccc1Cl ZINC000036349749 569147081 /nfs/dbraw/zinc/14/70/81/569147081.db2.gz MHVOGOGYQSAJBF-UHFFFAOYSA-N 0 0 420.912 6.925 50 0 HKAARN CC(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2ccc(F)cc2F)n1 ZINC000036349751 569147056 /nfs/dbraw/zinc/14/70/56/569147056.db2.gz KNLFXLRNPYGHAU-UHFFFAOYSA-N 0 0 406.885 6.616 50 0 HKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)cc1C ZINC000036349753 569147089 /nfs/dbraw/zinc/14/70/89/569147089.db2.gz YMGHYCGSYYGQGX-UHFFFAOYSA-N 0 0 400.494 6.580 50 0 HKAARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3ccc(F)cc3F)n2)c1C ZINC000036349754 569147055 /nfs/dbraw/zinc/14/70/55/569147055.db2.gz FLMSRZZXZBFSOL-UHFFFAOYSA-N 0 0 400.494 6.580 50 0 HKAARN COc1cccc(CSc2nc(Oc3ccc(Cl)cc3)cc(C(C)C)n2)c1 ZINC000036349763 569147106 /nfs/dbraw/zinc/14/71/06/569147106.db2.gz IHRKQEWGIHRCKB-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN COc1cccc(CSc2nc(Oc3cccc(Cl)c3)cc(C(C)C)n2)c1 ZINC000036349767 569147149 /nfs/dbraw/zinc/14/71/49/569147149.db2.gz UEOAGCPGMZQCLI-UHFFFAOYSA-N 0 0 400.931 6.347 50 0 HKAARN Cc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000036349784 569147214 /nfs/dbraw/zinc/14/72/14/569147214.db2.gz XVOFZGSZWODYOQ-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN CC(C)c1cc(Oc2ccccc2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036349787 569147197 /nfs/dbraw/zinc/14/71/97/569147197.db2.gz TXTCAXWMSXWARO-UHFFFAOYSA-N 0 0 404.457 6.703 50 0 HKAARN Cc1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000036349789 569147184 /nfs/dbraw/zinc/14/71/84/569147184.db2.gz DHLYIOPOKQVQLS-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN CC(C)c1cc(Oc2ccccc2F)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036349790 569147225 /nfs/dbraw/zinc/14/72/25/569147225.db2.gz GRCNQVSSYDBQNL-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN CC(C)c1cc(Oc2cccc(F)c2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036349792 569147142 /nfs/dbraw/zinc/14/71/42/569147142.db2.gz MUJIEAKRTOQCTA-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN CC(C)c1cc(Oc2ccc(F)cc2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036349793 558799276 /nfs/dbraw/zinc/79/92/76/558799276.db2.gz VXBKNCQNRQNCNX-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN CCc1cc(Oc2cc(C)cc(C)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349833 569147210 /nfs/dbraw/zinc/14/72/10/569147210.db2.gz QFRMXKITZROOTR-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2ccccc2Cl)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349839 569147161 /nfs/dbraw/zinc/14/71/61/569147161.db2.gz PELIGNJFEMZKGR-UHFFFAOYSA-N 0 0 424.875 6.796 50 0 HKAARN CCc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349840 569147215 /nfs/dbraw/zinc/14/72/15/569147215.db2.gz BFSNAXYUICWNBD-UHFFFAOYSA-N 0 0 424.875 6.796 50 0 HKAARN CCc1cccc(Oc2cc(CC)nc(SCc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000036349843 569147179 /nfs/dbraw/zinc/14/71/79/569147179.db2.gz OXIUZUVCJIJRFX-UHFFFAOYSA-N 0 0 418.484 6.705 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349850 569147164 /nfs/dbraw/zinc/14/71/64/569147164.db2.gz SSDKSOMUKCYRSC-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2cccc(C)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349852 569147222 /nfs/dbraw/zinc/14/72/22/569147222.db2.gz NFLMSLIJJQWEGW-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN CCc1cc(Oc2cccc(Cl)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349854 569147201 /nfs/dbraw/zinc/14/72/01/569147201.db2.gz HSGKKFQFDRENIQ-UHFFFAOYSA-N 0 0 424.875 6.796 50 0 HKAARN CCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349855 569147173 /nfs/dbraw/zinc/14/71/73/569147173.db2.gz DNKNDZLKAUNBOM-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2cccc(C)c2C)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349857 569147156 /nfs/dbraw/zinc/14/71/56/569147156.db2.gz QJVGUFRAACBZFQ-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349858 569147217 /nfs/dbraw/zinc/14/72/17/569147217.db2.gz NYJFKXBETDZXFU-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN CCc1cc(Oc2ccccc2F)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349860 569147169 /nfs/dbraw/zinc/14/71/69/569147169.db2.gz OMZSACNWBKWPDV-UHFFFAOYSA-N 0 0 408.420 6.282 50 0 HKAARN CCc1cc(Oc2cccc(F)c2)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349861 569147147 /nfs/dbraw/zinc/14/71/47/569147147.db2.gz JTMVDWAPPIPCBF-UHFFFAOYSA-N 0 0 408.420 6.282 50 0 HKAARN CCc1cc(Oc2ccccc2C)nc(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000036349863 569147219 /nfs/dbraw/zinc/14/72/19/569147219.db2.gz WIESBUHSQWWLMG-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2OC)nc(SCc2cccc(Cl)c2)n1 ZINC000036350005 569147180 /nfs/dbraw/zinc/14/71/80/569147180.db2.gz SACAXAPYHSIMKK-UHFFFAOYSA-N 0 0 400.931 6.094 50 0 HKAARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2cccc(Cl)c2)n1 ZINC000036350014 569147154 /nfs/dbraw/zinc/14/71/54/569147154.db2.gz BXYRVVHDXCOSDQ-UHFFFAOYSA-N 0 0 405.350 6.739 50 0 HKAARN CCc1cc(Oc2ccccc2C(C)C)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350031 569147191 /nfs/dbraw/zinc/14/71/91/569147191.db2.gz ANSCUFDHADBUHJ-UHFFFAOYSA-N 0 0 420.622 7.545 50 0 HKAARN CCc1cc(Oc2cc(C)cc(C)c2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350033 569147144 /nfs/dbraw/zinc/14/71/44/569147144.db2.gz HNOLEPMTFHNTKU-UHFFFAOYSA-N 0 0 406.595 7.038 50 0 HKAARN CCc1cc(Oc2ccc(C(C)C)cc2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350035 569147218 /nfs/dbraw/zinc/14/72/18/569147218.db2.gz WUVVAJDJRBLCLD-UHFFFAOYSA-N 0 0 420.622 7.545 50 0 HKAARN CCc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350039 569147206 /nfs/dbraw/zinc/14/72/06/569147206.db2.gz CNLXNGWFESAYNM-UHFFFAOYSA-N 0 0 412.986 7.075 50 0 HKAARN CCc1cc(Oc2cccc(OC)c2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350040 569147151 /nfs/dbraw/zinc/14/71/51/569147151.db2.gz OVNZESDPEAIMOR-UHFFFAOYSA-N 0 0 408.567 6.430 50 0 HKAARN CCc1cc(Oc2ccccc2OC)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350043 569147175 /nfs/dbraw/zinc/14/71/75/569147175.db2.gz VDUFIIYKFWWZNJ-UHFFFAOYSA-N 0 0 408.567 6.430 50 0 HKAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350045 569147208 /nfs/dbraw/zinc/14/72/08/569147208.db2.gz UZZOSXYGDMQJHD-UHFFFAOYSA-N 0 0 422.550 6.150 50 0 HKAARN CCc1cc(Oc2ccc(OC)cc2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350046 569147228 /nfs/dbraw/zinc/14/72/28/569147228.db2.gz JRWORGMAPWBOJS-UHFFFAOYSA-N 0 0 408.567 6.430 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350048 569147221 /nfs/dbraw/zinc/14/72/21/569147221.db2.gz VEUOOWLYCDUHEE-UHFFFAOYSA-N 0 0 406.595 7.038 50 0 HKAARN CCc1cc(Oc2cccc(Cl)c2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350053 569147193 /nfs/dbraw/zinc/14/71/93/569147193.db2.gz OGZACSAIAHVVPP-UHFFFAOYSA-N 0 0 412.986 7.075 50 0 HKAARN CCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350055 569147162 /nfs/dbraw/zinc/14/71/62/569147162.db2.gz FHXPVBOLYRJBLX-UHFFFAOYSA-N 0 0 406.595 7.038 50 0 HKAARN CCc1cc(Oc2cccc(C)c2C)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350056 569147226 /nfs/dbraw/zinc/14/72/26/569147226.db2.gz SSUVTMRQWPECSW-UHFFFAOYSA-N 0 0 406.595 7.038 50 0 HKAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2Cl)n1 ZINC000036350128 569147199 /nfs/dbraw/zinc/14/71/99/569147199.db2.gz RMNITVXXDPFFMZ-UHFFFAOYSA-N 0 0 400.887 5.506 50 0 HKAARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2c(F)cccc2F)n1 ZINC000036350146 569147220 /nfs/dbraw/zinc/14/72/20/569147220.db2.gz FUVZTBDZVCRXPB-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN CCc1cc(Oc2ccc(C(C)=O)cc2)nc(SCc2c(F)cccc2F)n1 ZINC000036350161 569147187 /nfs/dbraw/zinc/14/71/87/569147187.db2.gz ZVXRPJWNYYKUJS-UHFFFAOYSA-N 0 0 400.450 5.604 50 0 HKAARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2ccc(F)cc2F)n1 ZINC000036350164 569147195 /nfs/dbraw/zinc/14/71/95/569147195.db2.gz OWCZSHMREGXCPX-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN CCc1cc(Oc2ccccc2C(C)C)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350174 569147158 /nfs/dbraw/zinc/14/71/58/569147158.db2.gz HAUFFVFLXUMLPU-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN CCc1cc(Oc2ccc(C(C)C)cc2)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350177 569147182 /nfs/dbraw/zinc/14/71/82/569147182.db2.gz IOEYYFDSJNLSOZ-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2OC)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350183 569147216 /nfs/dbraw/zinc/14/72/16/569147216.db2.gz NWOKIQJOQIASGX-UHFFFAOYSA-N 0 0 402.466 5.719 50 0 HKAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350188 558799309 /nfs/dbraw/zinc/79/93/09/558799309.db2.gz RYFLLMBZZTWKDX-UHFFFAOYSA-N 0 0 402.422 5.131 50 0 HKAARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350190 569147224 /nfs/dbraw/zinc/14/72/24/569147224.db2.gz ZBVGVJXVOJDMRM-UHFFFAOYSA-N 0 0 400.494 6.525 50 0 HKAARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350194 569147223 /nfs/dbraw/zinc/14/72/23/569147223.db2.gz FTPQXHOSYCZTJV-UHFFFAOYSA-N 0 0 406.885 6.364 50 0 HKAARN CCc1cc(Oc2ccc(C(C)=O)cc2)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350207 569147227 /nfs/dbraw/zinc/14/72/27/569147227.db2.gz YZFYELSMLVIVBA-UHFFFAOYSA-N 0 0 400.450 5.604 50 0 HKAARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2cccc(OC)c2)n1 ZINC000036350212 569147300 /nfs/dbraw/zinc/14/73/00/569147300.db2.gz ITCICTRCBWTCNP-UHFFFAOYSA-N 0 0 400.931 6.094 50 0 HKAARN CCc1cc(Oc2ccc(Cl)cc2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350236 569147323 /nfs/dbraw/zinc/14/73/23/569147323.db2.gz DWCNICQHSOVTEO-UHFFFAOYSA-N 0 0 424.875 6.796 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2C)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350240 569147332 /nfs/dbraw/zinc/14/73/32/569147332.db2.gz PCUYMRZJGQNGJR-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2cccc(C)c2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350241 569147353 /nfs/dbraw/zinc/14/73/53/569147353.db2.gz ZSRRKKJETWBYDK-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN CCc1cc(Oc2cccc(Cl)c2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350242 569147302 /nfs/dbraw/zinc/14/73/02/569147302.db2.gz YDYHVJGJYJRZRW-UHFFFAOYSA-N 0 0 424.875 6.796 50 0 HKAARN CCc1cc(Oc2cccc(C)c2C)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350243 569147264 /nfs/dbraw/zinc/14/72/64/569147264.db2.gz AXWXFMJUKZQPRB-UHFFFAOYSA-N 0 0 418.484 6.759 50 0 HKAARN CCc1cc(Oc2ccc(C)cc2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350245 569147328 /nfs/dbraw/zinc/14/73/28/569147328.db2.gz TWXIKZFELQQARE-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN CCc1cc(Oc2ccccc2F)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350246 569147336 /nfs/dbraw/zinc/14/73/36/569147336.db2.gz OPQNSASFDKXECV-UHFFFAOYSA-N 0 0 408.420 6.282 50 0 HKAARN CCc1cc(Oc2cccc(F)c2)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000036350247 569147319 /nfs/dbraw/zinc/14/73/19/569147319.db2.gz NJMQRZUOYPIARY-UHFFFAOYSA-N 0 0 408.420 6.282 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)c1 ZINC000036350569 569147275 /nfs/dbraw/zinc/14/72/75/569147275.db2.gz WSAXZBBOYVZCQJ-VWNXMTODSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)c1 ZINC000036350572 569147265 /nfs/dbraw/zinc/14/72/65/569147265.db2.gz XVWMWDAFAVMVOE-VWNXMTODSA-N 0 0 406.888 6.338 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000036350580 569147342 /nfs/dbraw/zinc/14/73/42/569147342.db2.gz DJXGCIDACJFQKY-VWNXMTODSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000036352115 569147071 /nfs/dbraw/zinc/14/70/71/569147071.db2.gz SDYOYTXCRLXSQR-RSXGOPAZSA-N 0 0 412.533 6.235 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352121 558799292 /nfs/dbraw/zinc/79/92/92/558799292.db2.gz UZBSMHIUMISVQV-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000036352143 569358002 /nfs/dbraw/zinc/35/80/02/569358002.db2.gz NCAORIQGIQUYGN-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000036352144 569357992 /nfs/dbraw/zinc/35/79/92/569357992.db2.gz SVCVXAKNHHJAQL-YKSBVNFPSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1OC ZINC000036352146 569357961 /nfs/dbraw/zinc/35/79/61/569357961.db2.gz UNRCLHZJJQTBTC-BWKNWUBXSA-N 0 0 400.478 5.255 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000036352149 569147096 /nfs/dbraw/zinc/14/70/96/569147096.db2.gz OTIJCAIXZVSNST-BVAGGSTKSA-N 0 0 412.533 6.235 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000036352150 558799299 /nfs/dbraw/zinc/79/92/99/558799299.db2.gz PQEYDHIRRAVJCS-QPPBQGQZSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352154 569147099 /nfs/dbraw/zinc/14/70/99/569147099.db2.gz QEESWAQDXJEJPT-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000036352155 569147079 /nfs/dbraw/zinc/14/70/79/569147079.db2.gz RVQGFBUOVYBCBN-QPPBQGQZSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C)cc2)cc1 ZINC000036352157 569147073 /nfs/dbraw/zinc/14/70/73/569147073.db2.gz PDONABPSOACVER-RDGATRHJSA-N 0 0 400.478 5.255 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036352191 569358001 /nfs/dbraw/zinc/35/80/01/569358001.db2.gz QCHHYMALLMRIRG-VWNXMTODSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000036352194 569147105 /nfs/dbraw/zinc/14/71/05/569147105.db2.gz QKQNMXXECUEYFO-VPUSJEBWSA-N 0 0 412.533 6.451 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)o1 ZINC000036352203 569147078 /nfs/dbraw/zinc/14/70/78/569147078.db2.gz VCNYDSVIWOARLV-RXVVDRJESA-N 0 0 400.812 5.762 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000036352214 569147340 /nfs/dbraw/zinc/14/73/40/569147340.db2.gz KQOSQBNXTUJCOI-GGAORHGYSA-N 0 0 419.322 6.000 50 0 HKAARN CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000036352216 569147061 /nfs/dbraw/zinc/14/70/61/569147061.db2.gz ODDDBQVTIUEZEP-BDYUSTAISA-N 0 0 412.533 6.416 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000036352220 569147800 /nfs/dbraw/zinc/14/78/00/569147800.db2.gz IUVVUSRWRXYRGT-VWNXMTODSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 ZINC000036352226 569147839 /nfs/dbraw/zinc/14/78/39/569147839.db2.gz WWKRMMMPGFJZKU-DHLKQENFSA-N 0 0 418.468 5.475 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2Cl)cc1 ZINC000036352243 569147816 /nfs/dbraw/zinc/14/78/16/569147816.db2.gz HRPPGUPDUYCTRY-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000036352244 569147803 /nfs/dbraw/zinc/14/78/03/569147803.db2.gz ZJKGOOZYHVSQHZ-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000036352247 569147772 /nfs/dbraw/zinc/14/77/72/569147772.db2.gz CQBOASORTGPFAK-QPPBQGQZSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)c1 ZINC000036352256 569147801 /nfs/dbraw/zinc/14/78/01/569147801.db2.gz VTRIQAINEKLPKE-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000036352259 569147767 /nfs/dbraw/zinc/14/77/67/569147767.db2.gz CVCMWUXOYVCAHG-XXBNENTESA-N 0 0 406.507 5.561 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000036352260 569147802 /nfs/dbraw/zinc/14/78/02/569147802.db2.gz QJZDLKHYCOZPOP-VWNXMTODSA-N 0 0 402.519 5.659 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000036352263 569147841 /nfs/dbraw/zinc/14/78/41/569147841.db2.gz VVFXCDVAXIXGDV-VWNXMTODSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1OC ZINC000036353092 569147594 /nfs/dbraw/zinc/14/75/94/569147594.db2.gz ITMHWYJEKQCODR-HNNXBMFYSA-N 0 0 417.387 5.032 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1OC ZINC000036353095 569147617 /nfs/dbraw/zinc/14/76/17/569147617.db2.gz ITMHWYJEKQCODR-OAHLLOKOSA-N 0 0 417.387 5.032 50 0 HKAARN Cc1cc(C(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)sc1C ZINC000036353606 569147813 /nfs/dbraw/zinc/14/78/13/569147813.db2.gz XNVUHYNDDSSWMP-UHFFFAOYSA-N 0 0 416.550 5.377 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000036353885 569147837 /nfs/dbraw/zinc/14/78/37/569147837.db2.gz WLLJRVLFSCCITP-UHFFFAOYSA-N 0 0 410.905 5.583 50 0 HKAARN COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2Cl)c1[C@@H]1C(=O)Nc2ccccc21 ZINC000036354252 569147936 /nfs/dbraw/zinc/14/79/36/569147936.db2.gz YEUGZFGNLDLMFX-QGZVFWFLSA-N 0 0 415.276 5.168 50 0 HKAARN O=C(CCc1ccccc1)Nc1cccc(N2CCCn3c4ccccc4nc3C2)c1 ZINC000036355020 569148298 /nfs/dbraw/zinc/14/82/98/569148298.db2.gz BMDNUJFNBVYBKV-UHFFFAOYSA-N 0 0 410.521 5.018 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c1OC(C)C ZINC000036357278 569148806 /nfs/dbraw/zinc/14/88/06/569148806.db2.gz XEEUFMIENHDVJD-HNNXBMFYSA-N 0 0 401.532 5.053 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c1OC(C)C ZINC000036357279 569148791 /nfs/dbraw/zinc/14/87/91/569148791.db2.gz XEEUFMIENHDVJD-OAHLLOKOSA-N 0 0 401.532 5.053 50 0 HKAARN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036357339 569148795 /nfs/dbraw/zinc/14/87/95/569148795.db2.gz QPKNUYAOXAHYMS-UHFFFAOYSA-N 0 0 415.917 5.331 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000036357594 569149952 /nfs/dbraw/zinc/14/99/52/569149952.db2.gz UALGECCDZHLWEQ-INIZCTEOSA-N 0 0 417.387 5.032 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000036357595 569150038 /nfs/dbraw/zinc/15/00/38/569150038.db2.gz UALGECCDZHLWEQ-MRXNPFEDSA-N 0 0 417.387 5.032 50 0 HKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3)o1)CC(=O)N2 ZINC000036357803 569149321 /nfs/dbraw/zinc/14/93/21/569149321.db2.gz YVYJYHJDKHEQHZ-CQSZACIVSA-N 0 0 405.845 5.008 50 0 HKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3)o1)CC(=O)N2 ZINC000036357804 569149273 /nfs/dbraw/zinc/14/92/73/569149273.db2.gz YVYJYHJDKHEQHZ-AWEZNQCLSA-N 0 0 405.845 5.008 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1Cl ZINC000036358399 569149720 /nfs/dbraw/zinc/14/97/20/569149720.db2.gz KQLJZODDPHLEQO-UHFFFAOYSA-N 0 0 410.905 5.583 50 0 HKAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358497 569149742 /nfs/dbraw/zinc/14/97/42/569149742.db2.gz BAVGCCDBDSHTNC-HSZRJFAPSA-N 0 0 420.528 5.331 50 0 HKAARN O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358498 569149761 /nfs/dbraw/zinc/14/97/61/569149761.db2.gz BAVGCCDBDSHTNC-QHCPKHFHSA-N 0 0 420.528 5.331 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OC(C)C ZINC000036358532 569149795 /nfs/dbraw/zinc/14/97/95/569149795.db2.gz KTBJCFXHRWSEBL-HNNXBMFYSA-N 0 0 401.532 5.053 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OC(C)C ZINC000036358533 569149902 /nfs/dbraw/zinc/14/99/02/569149902.db2.gz KTBJCFXHRWSEBL-OAHLLOKOSA-N 0 0 401.532 5.053 50 0 HKAARN CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036359098 569150593 /nfs/dbraw/zinc/15/05/93/569150593.db2.gz VMDFZCHFOMYZQM-QFIPXVFZSA-N 0 0 408.517 5.045 50 0 HKAARN CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036359099 569150574 /nfs/dbraw/zinc/15/05/74/569150574.db2.gz VMDFZCHFOMYZQM-JOCHJYFZSA-N 0 0 408.517 5.045 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1 ZINC000036359249 569150607 /nfs/dbraw/zinc/15/06/07/569150607.db2.gz UWNFLWBARUVLIT-INIZCTEOSA-N 0 0 417.387 5.032 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1 ZINC000036359250 569150638 /nfs/dbraw/zinc/15/06/38/569150638.db2.gz UWNFLWBARUVLIT-MRXNPFEDSA-N 0 0 417.387 5.032 50 0 HKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3F)o1)CC(=O)N2 ZINC000036359561 569151646 /nfs/dbraw/zinc/15/16/46/569151646.db2.gz URCCEBNRNGDRPK-CYBMUJFWSA-N 0 0 423.835 5.147 50 0 HKAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3F)o1)CC(=O)N2 ZINC000036359562 569151609 /nfs/dbraw/zinc/15/16/09/569151609.db2.gz URCCEBNRNGDRPK-ZDUSSCGKSA-N 0 0 423.835 5.147 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000036360293 569151496 /nfs/dbraw/zinc/15/14/96/569151496.db2.gz SQPXWHQTLKYZGV-UHFFFAOYSA-N 0 0 423.856 5.045 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036360510 569151589 /nfs/dbraw/zinc/15/15/89/569151589.db2.gz LGLXXZGURQVNRB-INIZCTEOSA-N 0 0 417.387 5.032 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036360511 569151585 /nfs/dbraw/zinc/15/15/85/569151585.db2.gz LGLXXZGURQVNRB-MRXNPFEDSA-N 0 0 417.387 5.032 50 0 HKAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000036360648 569151833 /nfs/dbraw/zinc/15/18/33/569151833.db2.gz PGMYNDATTNCVIF-UHFFFAOYSA-N 0 0 407.429 5.515 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1 ZINC000036360868 569151970 /nfs/dbraw/zinc/15/19/70/569151970.db2.gz SWGVQUIYAZVXGM-INIZCTEOSA-N 0 0 417.387 5.032 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1 ZINC000036360869 569151991 /nfs/dbraw/zinc/15/19/91/569151991.db2.gz SWGVQUIYAZVXGM-MRXNPFEDSA-N 0 0 417.387 5.032 50 0 HKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(Cl)cc1Cl ZINC000036365119 569152143 /nfs/dbraw/zinc/15/21/43/569152143.db2.gz OOAARUCMSAKVKP-UHFFFAOYSA-N 0 0 400.221 5.155 50 0 HKAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000036365783 569152326 /nfs/dbraw/zinc/15/23/26/569152326.db2.gz WKHBGIREOFSBHU-QHCPKHFHSA-N 0 0 418.537 5.129 50 0 HKAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000036365785 569152427 /nfs/dbraw/zinc/15/24/27/569152427.db2.gz WKHBGIREOFSBHU-HSZRJFAPSA-N 0 0 418.537 5.129 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC ZINC000036366669 569152651 /nfs/dbraw/zinc/15/26/51/569152651.db2.gz NPVFEUAQIZTIEA-HNNXBMFYSA-N 0 0 417.387 5.032 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC ZINC000036366671 569152648 /nfs/dbraw/zinc/15/26/48/569152648.db2.gz NPVFEUAQIZTIEA-OAHLLOKOSA-N 0 0 417.387 5.032 50 0 HKAARN CCCCOc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)c1 ZINC000036366712 569152666 /nfs/dbraw/zinc/15/26/66/569152666.db2.gz WGBOKQVVOLTBAP-UHFFFAOYSA-N 0 0 403.438 5.027 50 0 HKAARN O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036367191 569152563 /nfs/dbraw/zinc/15/25/63/569152563.db2.gz KKQTUSNHBHKDAC-DEOSSOPVSA-N 0 0 410.517 5.060 50 0 HKAARN O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036367193 569152542 /nfs/dbraw/zinc/15/25/42/569152542.db2.gz KKQTUSNHBHKDAC-XMMPIXPASA-N 0 0 410.517 5.060 50 0 HKAARN Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000036370415 569154146 /nfs/dbraw/zinc/15/41/46/569154146.db2.gz RWUUYEFLSSWUDM-JTDSTZFVSA-N 0 0 422.554 5.132 50 0 HKAARN CC[C@H](CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000036371195 569358111 /nfs/dbraw/zinc/35/81/11/569358111.db2.gz YQQOGXLLGWWKQH-WSUFMHGESA-N 0 0 414.718 8.169 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371518 569358060 /nfs/dbraw/zinc/35/80/60/569358060.db2.gz NWQBDOPDVUJEGJ-WXXALINWSA-N 0 0 404.679 6.439 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371526 569358112 /nfs/dbraw/zinc/35/81/12/569358112.db2.gz YIGWOKYLCVPSEG-OVSIMSPQSA-N 0 0 404.679 6.439 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371532 569358127 /nfs/dbraw/zinc/35/81/27/569358127.db2.gz YGJKELZDRWFHOR-WQRMIHPQSA-N 0 0 404.679 6.584 50 0 HKAARN CO[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000036371702 569358091 /nfs/dbraw/zinc/35/80/91/569358091.db2.gz YLJFYUPNPBFGPI-ZRYTXKMQSA-N 0 0 414.674 7.222 50 0 HKAARN CO[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000036371703 569358083 /nfs/dbraw/zinc/35/80/83/569358083.db2.gz YLJFYUPNPBFGPI-AZSAOGCPSA-N 0 0 414.674 7.222 50 0 HKAARN COC1=CC2=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000036371714 569358117 /nfs/dbraw/zinc/35/81/17/569358117.db2.gz GVCDWLNEOQUVPM-FECDWFOSSA-N 0 0 412.658 7.347 50 0 HKAARN COC1=CC2=CC(=O)[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000036371715 569358119 /nfs/dbraw/zinc/35/81/19/569358119.db2.gz GVCDWLNEOQUVPM-GFNHHNBKSA-N 0 0 412.658 7.347 50 0 HKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000036371741 569358099 /nfs/dbraw/zinc/35/80/99/569358099.db2.gz AWYDNKRGSOPYQB-BPRSHLBVSA-N 0 0 400.691 7.779 50 0 HKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O ZINC000036371901 569358120 /nfs/dbraw/zinc/35/81/20/569358120.db2.gz UOQIHAOZMTYKBC-TVADOENUSA-N 0 0 412.658 6.734 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000036372807 558799557 /nfs/dbraw/zinc/79/95/57/558799557.db2.gz YIIGYUNCCICRRB-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000036372811 558799581 /nfs/dbraw/zinc/79/95/81/558799581.db2.gz GAVHQAQLYGBBOE-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Nc1c(Br)cc(/C=C/c2ccnc3ccccc23)cc1Br ZINC000036381171 558799552 /nfs/dbraw/zinc/79/95/52/558799552.db2.gz LGMANTJUDVZTME-AATRIKPKSA-N 0 0 404.105 5.512 50 0 HKAARN CSc1ccc(/C=C2\C=C([C@@H](O)c3ccc(SC)cc3)c3ccccc32)cc1 ZINC000036382753 569158755 /nfs/dbraw/zinc/15/87/55/569158755.db2.gz XDKKGOJOEQYOES-UGOOHZPOSA-N 0 0 402.584 6.802 50 0 HKAARN CC(=O)Nc1ccc(/C=C2\C=C([C@@H](O)c3ccc(NC(C)=O)cc3)c3ccccc32)cc1 ZINC000036382754 558799685 /nfs/dbraw/zinc/79/96/85/558799685.db2.gz VWJRNRDWCVUIOR-FLNWLJMPSA-N 0 0 424.500 5.275 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036386078 569159649 /nfs/dbraw/zinc/15/96/49/569159649.db2.gz NWRFJECEBYIJPQ-JKSUJKDBSA-N 0 0 411.596 5.207 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000036389983 569165526 /nfs/dbraw/zinc/16/55/26/569165526.db2.gz NWJZJHDDJVTZBA-GGAORHGYSA-N 0 0 408.423 6.256 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000036390091 569165582 /nfs/dbraw/zinc/16/55/82/569165582.db2.gz ICHPWTKGSWWOBH-GGAORHGYSA-N 0 0 422.431 5.539 50 0 HKAARN CNc1nc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nc2ccccc21 ZINC000036390996 569166771 /nfs/dbraw/zinc/16/67/71/569166771.db2.gz LLWNMJXGWYAJLF-UHFFFAOYSA-N 0 0 424.551 5.105 50 0 HKAARN CC(=O)c1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000036391072 569166214 /nfs/dbraw/zinc/16/62/14/569166214.db2.gz SUFFXCFTQBDDMI-UHFFFAOYSA-N 0 0 404.432 5.080 50 0 HKAARN COc1ccc(NC(=O)CSc2ccccc2C)cc1NC(=O)c1cccc(F)c1 ZINC000036391178 569166323 /nfs/dbraw/zinc/16/63/23/569166323.db2.gz GYWYTGWFMLBZAP-UHFFFAOYSA-N 0 0 424.497 5.126 50 0 HKAARN Cc1cc(C)c(NC(=O)CSCc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000036391244 569166287 /nfs/dbraw/zinc/16/62/87/569166287.db2.gz LZKHIIRQWFMPCF-UHFFFAOYSA-N 0 0 402.972 5.952 50 0 HKAARN CN(C)c1ccc(NC(=O)CSCc2ccc(Cl)s2)c(C(F)(F)F)c1 ZINC000036391425 569166471 /nfs/dbraw/zinc/16/64/71/569166471.db2.gz BLEHMVAOJHOEEH-UHFFFAOYSA-N 0 0 408.898 5.358 50 0 HKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2c(s1)CCCCCC2 ZINC000036391621 569167135 /nfs/dbraw/zinc/16/71/35/569167135.db2.gz YPUIELGLMGSBKI-UHFFFAOYSA-N 0 0 403.498 5.424 50 0 HKAARN O=C(Nc1cccc(-n2ccnc2)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000036391681 569167271 /nfs/dbraw/zinc/16/72/71/569167271.db2.gz HFVGHZOICGAENV-UHFFFAOYSA-N 0 0 419.488 5.036 50 0 HKAARN CCOc1c(Cl)cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC ZINC000036393390 569167897 /nfs/dbraw/zinc/16/78/97/569167897.db2.gz FUNMWTLQNUKOKI-UHFFFAOYSA-N 0 0 402.903 5.047 50 0 HKAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NCCC1=CCCCC1 ZINC000036394196 569168076 /nfs/dbraw/zinc/16/80/76/569168076.db2.gz ZBKHELQRANFQDG-SFHVURJKSA-N 0 0 406.530 5.138 50 0 HKAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NCCC1=CCCCC1 ZINC000036394197 569168065 /nfs/dbraw/zinc/16/80/65/569168065.db2.gz ZBKHELQRANFQDG-GOSISDBHSA-N 0 0 406.530 5.138 50 0 HKAARN CNC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2SCc2ccsc2)cc1 ZINC000036394812 558977461 /nfs/dbraw/zinc/97/74/61/558977461.db2.gz NIGPVCILAYFUMD-DHZHZOJOSA-N 0 0 408.548 5.052 50 0 HKAARN COc1ccccc1Nc1nc2sc(C(=O)N(C)Cc3ccc(C)o3)cc2s1 ZINC000036395267 569168787 /nfs/dbraw/zinc/16/87/87/569168787.db2.gz GQUIDPJLCATFPU-UHFFFAOYSA-N 0 0 413.524 5.284 50 0 HKAARN O=C(NCCSCc1ccccc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000036395275 569168778 /nfs/dbraw/zinc/16/87/78/569168778.db2.gz GVGCAKPBZFPMOR-MOPGFXCFSA-N 0 0 408.592 5.396 50 0 HKAARN O=C(NCCSCc1ccccc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000036395276 569168772 /nfs/dbraw/zinc/16/87/72/569168772.db2.gz GVGCAKPBZFPMOR-OALUTQOASA-N 0 0 408.592 5.396 50 0 HKAARN O=C(NCCSCc1ccccc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000036395277 569168789 /nfs/dbraw/zinc/16/87/89/569168789.db2.gz GVGCAKPBZFPMOR-RTBURBONSA-N 0 0 408.592 5.396 50 0 HKAARN O=C(NCCSCc1ccccc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000036395278 569168729 /nfs/dbraw/zinc/16/87/29/569168729.db2.gz GVGCAKPBZFPMOR-RBUKOAKNSA-N 0 0 408.592 5.396 50 0 HKAARN Cc1cc(C)cc(-c2nnc(SC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC000036395319 569168717 /nfs/dbraw/zinc/16/87/17/569168717.db2.gz HGRYGPVLBZYKRV-MRXNPFEDSA-N 0 0 403.548 5.093 50 0 HKAARN Cc1cc(C)cc(-c2nnc(SC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC000036395320 569168794 /nfs/dbraw/zinc/16/87/94/569168794.db2.gz HGRYGPVLBZYKRV-INIZCTEOSA-N 0 0 403.548 5.093 50 0 HKAARN COc1ccc([C@@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000036395329 569168735 /nfs/dbraw/zinc/16/87/35/569168735.db2.gz RWTRIGWFUPKILS-HNNXBMFYSA-N 0 0 401.915 5.549 50 0 HKAARN COc1ccc([C@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000036395330 569168751 /nfs/dbraw/zinc/16/87/51/569168751.db2.gz RWTRIGWFUPKILS-OAHLLOKOSA-N 0 0 401.915 5.549 50 0 HKAARN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccc(Cl)s1 ZINC000036395514 569168718 /nfs/dbraw/zinc/16/87/18/569168718.db2.gz LOFHEAGKOQXZTA-UHFFFAOYSA-N 0 0 417.273 5.108 50 0 HKAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCc2cscn2)c(OC)c1 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COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000036611886 569208898 /nfs/dbraw/zinc/20/88/98/569208898.db2.gz UVGNZXUDEAFUCU-UHFFFAOYSA-N 0 0 416.502 5.802 50 0 HKAARN O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(F)cc2)cc1 ZINC000036612016 569208918 /nfs/dbraw/zinc/20/89/18/569208918.db2.gz DQLHQKMQCGBWCP-UHFFFAOYSA-N 0 0 421.859 5.496 50 0 HKAARN CCOC(=O)c1sc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CCCC2)nc1C ZINC000036612118 569208926 /nfs/dbraw/zinc/20/89/26/569208926.db2.gz KQDJJEPTJXZRGP-UHFFFAOYSA-N 0 0 414.571 5.515 50 0 HKAARN Cc1ccn(-c2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc2)n1 ZINC000036612132 569208902 /nfs/dbraw/zinc/20/89/02/569208902.db2.gz LYPJKHNICKTWTM-UHFFFAOYSA-N 0 0 417.896 5.665 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccccc1C(C)C ZINC000036613200 569209095 /nfs/dbraw/zinc/20/90/95/569209095.db2.gz OGSIEVHQLVIPCJ-UHFFFAOYSA-N 0 0 412.537 6.111 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@@H]1CCCc2ccccc21 ZINC000036613202 569209004 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50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)nn(C)c3n2)cc1 ZINC000036613403 569209144 /nfs/dbraw/zinc/20/91/44/569209144.db2.gz KGQVXGZYNJICAY-UHFFFAOYSA-N 0 0 420.900 5.166 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(F)c3)c12 ZINC000036613408 569209143 /nfs/dbraw/zinc/20/91/43/569209143.db2.gz NKPHAUORGXTSBP-UHFFFAOYSA-N 0 0 414.484 5.365 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@@H](C)CCc1ccco1 ZINC000036613469 569209313 /nfs/dbraw/zinc/20/93/13/569209313.db2.gz RZLZTXPXYQCZGF-KRWDZBQOSA-N 0 0 416.525 5.079 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@H](C)CCc1ccco1 ZINC000036613470 569209268 /nfs/dbraw/zinc/20/92/68/569209268.db2.gz RZLZTXPXYQCZGF-QGZVFWFLSA-N 0 0 416.525 5.079 50 0 HKAARN COc1ccc(NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1Cl ZINC000036613474 569209338 /nfs/dbraw/zinc/20/93/38/569209338.db2.gz PSLHPYSXNRILQY-UHFFFAOYSA-N 0 0 411.820 5.252 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000036613479 569209292 /nfs/dbraw/zinc/20/92/92/569209292.db2.gz WTIHEDSGSOCCRC-UHFFFAOYSA-N 0 0 410.521 5.535 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 ZINC000036613497 569209276 /nfs/dbraw/zinc/20/92/76/569209276.db2.gz SEIHHYDFKWCIIV-UHFFFAOYSA-N 0 0 400.457 5.057 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 ZINC000036613544 569209336 /nfs/dbraw/zinc/20/93/36/569209336.db2.gz HZTFDWYCGKKSSZ-UHFFFAOYSA-N 0 0 416.912 5.571 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)C)c12 ZINC000036613560 569209287 /nfs/dbraw/zinc/20/92/87/569209287.db2.gz OWRKMKRLXRZYBE-UHFFFAOYSA-N 0 0 424.548 6.041 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccc(C)c(Cl)c1 ZINC000036613562 569209314 /nfs/dbraw/zinc/20/93/14/569209314.db2.gz UVOLOCDRUQSBKK-UHFFFAOYSA-N 0 0 418.928 5.949 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 ZINC000036613565 569209260 /nfs/dbraw/zinc/20/92/60/569209260.db2.gz KDQNKMFBWNRUOR-UHFFFAOYSA-N 0 0 418.447 5.196 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cc(C)n(C(C)C)n1 ZINC000036613575 569209322 /nfs/dbraw/zinc/20/93/22/569209322.db2.gz RDLCTTXUAZUZJY-UHFFFAOYSA-N 0 0 416.529 5.073 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000036613584 569209297 /nfs/dbraw/zinc/20/92/97/569209297.db2.gz VREOBUZBCAWDLG-UHFFFAOYSA-N 0 0 418.447 5.196 50 0 HKAARN Cc1cc(C(=O)Nc2nc3c(cccc3C)s2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613589 569209295 /nfs/dbraw/zinc/20/92/95/569209295.db2.gz JIGRZRYIDAIXGT-UHFFFAOYSA-N 0 0 418.453 5.508 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000036613601 569209298 /nfs/dbraw/zinc/20/92/98/569209298.db2.gz GWGKXXUEMLSSJA-UHFFFAOYSA-N 0 0 410.521 5.535 50 0 HKAARN Cc1cc(C)n(CCCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 ZINC000036613785 569209416 /nfs/dbraw/zinc/20/94/16/569209416.db2.gz UFPVBXOVSVYAPU-UHFFFAOYSA-N 0 0 409.843 5.131 50 0 HKAARN CC(C)OCCCNc1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000036613827 569209435 /nfs/dbraw/zinc/20/94/35/569209435.db2.gz BABNJSXEJMEUQU-UHFFFAOYSA-N 0 0 400.267 5.071 50 0 HKAARN COc1ccc(-c2cc(C(F)F)nc(NCc3ccccc3Cl)n2)cc1OC ZINC000036613869 569209409 /nfs/dbraw/zinc/20/94/09/569209409.db2.gz DGCZISXZYGLDGS-UHFFFAOYSA-N 0 0 405.832 5.364 50 0 HKAARN FC(F)c1cc(-c2ccc(Br)cc2)nc(NCCc2ccccc2)n1 ZINC000036613906 569209423 /nfs/dbraw/zinc/20/94/23/569209423.db2.gz FJNGZDJRFDFNRS-UHFFFAOYSA-N 0 0 404.258 5.498 50 0 HKAARN CCn1cc([C@@H](C)Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(C)n1 ZINC000036614137 569209552 /nfs/dbraw/zinc/20/95/52/569209552.db2.gz MENMJVHVGANZKI-LLVKDONJSA-N 0 0 409.843 5.514 50 0 HKAARN CCn1cc([C@H](C)Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(C)n1 ZINC000036614138 569209528 /nfs/dbraw/zinc/20/95/28/569209528.db2.gz MENMJVHVGANZKI-NSHDSACASA-N 0 0 409.843 5.514 50 0 HKAARN Fc1ccc(CNc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)cc1 ZINC000036614235 569209541 /nfs/dbraw/zinc/20/95/41/569209541.db2.gz AHAKLXTYUJIXCE-UHFFFAOYSA-N 0 0 408.221 5.595 50 0 HKAARN CCn1c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036614352 569209548 /nfs/dbraw/zinc/20/95/48/569209548.db2.gz FRGIIOBXPIUAOG-UHFFFAOYSA-N 0 0 407.461 5.457 50 0 HKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000036614400 569209543 /nfs/dbraw/zinc/20/95/43/569209543.db2.gz SHKLCKMTDCBXJP-UHFFFAOYSA-N 0 0 403.838 5.190 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000036615361 569206935 /nfs/dbraw/zinc/20/69/35/569206935.db2.gz GEAJAANTGFHMOE-UHFFFAOYSA-N 0 0 403.869 5.405 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615716 569207023 /nfs/dbraw/zinc/20/70/23/569207023.db2.gz YGKXETGWKQZSQZ-UHFFFAOYSA-N 0 0 416.239 5.296 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615751 569207049 /nfs/dbraw/zinc/20/70/49/569207049.db2.gz SEURRZZWXRJOSH-UHFFFAOYSA-N 0 0 416.239 5.296 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(F)c3)c12 ZINC000036615920 569207113 /nfs/dbraw/zinc/20/71/13/569207113.db2.gz SUVQMFCRJQFDTN-UHFFFAOYSA-N 0 0 400.457 5.306 50 0 HKAARN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(-n2ccc3ccccc32)cc1 ZINC000036615959 569207155 /nfs/dbraw/zinc/20/71/55/569207155.db2.gz GVODVPOWFQOBBY-UHFFFAOYSA-N 0 0 409.493 5.264 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3cccc4ccccc43)c3c(C)nn(C)c3n2)c1 ZINC000036615972 569207128 /nfs/dbraw/zinc/20/71/28/569207128.db2.gz OHHXTXRWAYIQQC-UHFFFAOYSA-N 0 0 422.488 5.358 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)c3c(C)nn(C)c3n2)c1 ZINC000036615973 569207115 /nfs/dbraw/zinc/20/71/15/569207115.db2.gz CBMRAUHVASRCIE-UHFFFAOYSA-N 0 0 420.900 5.166 50 0 HKAARN CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1 ZINC000036615984 569207079 /nfs/dbraw/zinc/20/70/79/569207079.db2.gz FXZYUJKBFORSJO-NRFANRHFSA-N 0 0 402.473 5.058 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1 ZINC000036615985 569207077 /nfs/dbraw/zinc/20/70/77/569207077.db2.gz FXZYUJKBFORSJO-OAQYLSRUSA-N 0 0 402.473 5.058 50 0 HKAARN CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036615986 569207145 /nfs/dbraw/zinc/20/71/45/569207145.db2.gz FZBRCECOEZVJQQ-UHFFFAOYSA-N 0 0 424.504 5.120 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cccc4ccccc43)c12 ZINC000036615991 569207121 /nfs/dbraw/zinc/20/71/21/569207121.db2.gz FHRRORWUNMRVQC-UHFFFAOYSA-N 0 0 410.452 5.582 50 0 HKAARN CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000036616003 569207157 /nfs/dbraw/zinc/20/71/57/569207157.db2.gz RKACNAROHYYPGZ-UHFFFAOYSA-N 0 0 412.493 5.257 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036616092 569207267 /nfs/dbraw/zinc/20/72/67/569207267.db2.gz XWFDOTOLFSKBFE-UHFFFAOYSA-N 0 0 406.848 5.343 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000036616110 569207274 /nfs/dbraw/zinc/20/72/74/569207274.db2.gz HOFVQCHFIGNQSP-UHFFFAOYSA-N 0 0 404.901 5.311 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3c(C)nn(C)c3n2)c1 ZINC000036616129 560882302 /nfs/dbraw/zinc/88/23/02/560882302.db2.gz XXNBSSCDSAODAK-UHFFFAOYSA-N 0 0 414.509 5.328 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036616144 569207233 /nfs/dbraw/zinc/20/72/33/569207233.db2.gz LPCSEBIYSPRLPH-UHFFFAOYSA-N 0 0 414.484 5.813 50 0 HKAARN CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(C(C)(C)C)cc1 ZINC000036616162 569207241 /nfs/dbraw/zinc/20/72/41/569207241.db2.gz WMUQKBXVGVCVSU-FQEVSTJZSA-N 0 0 404.558 5.333 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(C(C)(C)C)cc1 ZINC000036616163 569207256 /nfs/dbraw/zinc/20/72/56/569207256.db2.gz WMUQKBXVGVCVSU-HXUWFJFHSA-N 0 0 404.558 5.333 50 0 HKAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cc1Cl ZINC000036616185 569207252 /nfs/dbraw/zinc/20/72/52/569207252.db2.gz VGFLTAYJJSGJGU-UHFFFAOYSA-N 0 0 420.875 5.651 50 0 HKAARN Cc1c(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cnn1C ZINC000036616188 569207257 /nfs/dbraw/zinc/20/72/57/569207257.db2.gz JDZHLEQPHDCDDP-UHFFFAOYSA-N 0 0 417.410 5.411 50 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569207376 /nfs/dbraw/zinc/20/73/76/569207376.db2.gz RORXGYLFZYBIJY-UHFFFAOYSA-N 0 0 420.900 5.166 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3c(C)nn(C)c3n2)c1 ZINC000036616259 569207420 /nfs/dbraw/zinc/20/74/20/569207420.db2.gz GVJLOADFHMQWRX-UHFFFAOYSA-N 0 0 414.509 5.328 50 0 HKAARN CC[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F)c1ccccc1 ZINC000036616262 569207397 /nfs/dbraw/zinc/20/73/97/569207397.db2.gz MYXXCLYEDBCGMP-NRFANRHFSA-N 0 0 414.484 5.318 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F)c1ccccc1 ZINC000036616263 569207330 /nfs/dbraw/zinc/20/73/30/569207330.db2.gz MYXXCLYEDBCGMP-OAQYLSRUSA-N 0 0 414.484 5.318 50 0 HKAARN Fc1ccccc1-n1ncc2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)(F)F ZINC000036616279 569207336 /nfs/dbraw/zinc/20/73/36/569207336.db2.gz BQDCADSZFOXGJC-UHFFFAOYSA-N 0 0 415.434 6.046 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(C)c(Cl)c3)c12 ZINC000036616326 569207345 /nfs/dbraw/zinc/20/73/45/569207345.db2.gz VDPLVYGICLBVQS-UHFFFAOYSA-N 0 0 408.864 5.391 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1c2ccccc2C[C@@H]1C ZINC000036616364 569207459 /nfs/dbraw/zinc/20/74/59/569207459.db2.gz OTOIXKOFWYKRJI-KRWDZBQOSA-N 0 0 410.521 5.326 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1c2ccccc2C[C@H]1C ZINC000036616365 569207521 /nfs/dbraw/zinc/20/75/21/569207521.db2.gz OTOIXKOFWYKRJI-QGZVFWFLSA-N 0 0 410.521 5.326 50 0 HKAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000036616464 569207494 /nfs/dbraw/zinc/20/74/94/569207494.db2.gz JCLIABHKJCDDTH-UHFFFAOYSA-N 0 0 420.900 5.260 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cc(C)nc4ccccc43)c12 ZINC000036616466 569207553 /nfs/dbraw/zinc/20/75/53/569207553.db2.gz ULJANDQFSYXVIE-UHFFFAOYSA-N 0 0 407.477 5.146 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000036616552 569207664 /nfs/dbraw/zinc/20/76/64/569207664.db2.gz IWAUNDCGWBKZKI-UHFFFAOYSA-N 0 0 412.827 5.221 50 0 HKAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)c12 ZINC000036616557 569207594 /nfs/dbraw/zinc/20/75/94/569207594.db2.gz PQGZHJMIDCSDGI-UHFFFAOYSA-N 0 0 424.932 5.381 50 0 HKAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616615 569207744 /nfs/dbraw/zinc/20/77/44/569207744.db2.gz SDZUPZHXJHVUNZ-JOCHJYFZSA-N 0 0 414.484 5.235 50 0 HKAARN Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616616 569207716 /nfs/dbraw/zinc/20/77/16/569207716.db2.gz SDZUPZHXJHVUNZ-QFIPXVFZSA-N 0 0 414.484 5.235 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1cccc(C(C)=O)c1 ZINC000036616622 569207707 /nfs/dbraw/zinc/20/77/07/569207707.db2.gz AMQGPZWRWGFYFL-UHFFFAOYSA-N 0 0 412.493 5.190 50 0 HKAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1Cl ZINC000036616630 569207732 /nfs/dbraw/zinc/20/77/32/569207732.db2.gz JOBQUMQMRXXDAK-UHFFFAOYSA-N 0 0 424.863 5.091 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 ZINC000036616640 569207709 /nfs/dbraw/zinc/20/77/09/569207709.db2.gz PLMCTVNIBXLBAG-UHFFFAOYSA-N 0 0 402.473 5.552 50 0 HKAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1Cl ZINC000036616676 524625139 /nfs/dbraw/zinc/62/51/39/524625139.db2.gz KGSRGJYZTANLMY-UHFFFAOYSA-N 0 0 420.900 5.011 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccccc3C(C)C)c12 ZINC000036616688 527529900 /nfs/dbraw/zinc/52/99/00/527529900.db2.gz FLBLATSJYDUYLK-UHFFFAOYSA-N 0 0 402.473 5.552 50 0 HKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccccc1C(C)=O ZINC000036616691 523670772 /nfs/dbraw/zinc/67/07/72/523670772.db2.gz QPIOHNZKHKHEAU-UHFFFAOYSA-N 0 0 412.493 5.190 50 0 HKAARN CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1)c1ccc(C)cc1 ZINC000036616709 522523333 /nfs/dbraw/zinc/52/33/33/522523333.db2.gz OXFJQSBVDHHWDB-QHCPKHFHSA-N 0 0 424.548 5.796 50 0 HKAARN CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1)c1ccc(C)cc1 ZINC000036616710 522776102 /nfs/dbraw/zinc/77/61/02/522776102.db2.gz OXFJQSBVDHHWDB-HSZRJFAPSA-N 0 0 424.548 5.796 50 0 HKAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cc1C ZINC000036616740 525231608 /nfs/dbraw/zinc/23/16/08/525231608.db2.gz GBIIJTOVCWLFGQ-UHFFFAOYSA-N 0 0 400.457 5.306 50 0 HKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000036616751 526295847 /nfs/dbraw/zinc/29/58/47/526295847.db2.gz YLBSTZRFLJBBCJ-UHFFFAOYSA-N 0 0 408.864 5.141 50 0 HKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616762 525702593 /nfs/dbraw/zinc/70/25/93/525702593.db2.gz SHLHOIYQYUFJOD-UHFFFAOYSA-N 0 0 420.900 5.166 50 0 HKAARN CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000036616770 518471856 /nfs/dbraw/zinc/47/18/56/518471856.db2.gz DLLVWRNXBCEYAZ-UHFFFAOYSA-N 0 0 410.477 5.061 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000036616784 527529520 /nfs/dbraw/zinc/52/95/20/527529520.db2.gz RQBAKFALUMBHMM-UHFFFAOYSA-N 0 0 408.864 5.391 50 0 HKAARN CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1)c1ccccc1 ZINC000036616807 569207819 /nfs/dbraw/zinc/20/78/19/569207819.db2.gz QNEALMGRRQISIH-UHFFFAOYSA-N 0 0 410.521 5.332 50 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569207956 /nfs/dbraw/zinc/20/79/56/569207956.db2.gz LNKZUVHYMDELEG-UHFFFAOYSA-N 0 0 405.854 5.436 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@@H](C)CC)c3n2)cc1 ZINC000036617088 569207890 /nfs/dbraw/zinc/20/78/90/569207890.db2.gz BZVQPPFSRGDYNV-NSHDSACASA-N 0 0 407.461 5.673 50 0 HKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@H](C)CC)c3n2)cc1 ZINC000036617089 569207901 /nfs/dbraw/zinc/20/79/01/569207901.db2.gz BZVQPPFSRGDYNV-LLVKDONJSA-N 0 0 407.461 5.673 50 0 HKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)s1 ZINC000036617308 569208150 /nfs/dbraw/zinc/20/81/50/569208150.db2.gz UTZKVTAZEBPECC-UHFFFAOYSA-N 0 0 415.490 5.726 50 0 HKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 ZINC000036617420 569208380 /nfs/dbraw/zinc/20/83/80/569208380.db2.gz LEWLDAKKZRBCSV-UHFFFAOYSA-N 0 0 414.396 5.245 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)NC(c3ccccc3)c3ccccc3)c12 ZINC000036617427 569208451 /nfs/dbraw/zinc/20/84/51/569208451.db2.gz JNTBAJITLWEUEP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/21/00/40/569210040.db2.gz KNYNLSDNHAZUKU-UHFFFAOYSA-N 0 0 410.408 5.343 50 0 HKAARN O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618418 569209984 /nfs/dbraw/zinc/20/99/84/569209984.db2.gz DKAPIILMTBQUBN-UHFFFAOYSA-N 0 0 413.408 5.219 50 0 HKAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)on1 ZINC000036618426 569209976 /nfs/dbraw/zinc/20/99/76/569209976.db2.gz AWYDLAAKEPCMKO-UHFFFAOYSA-N 0 0 414.396 5.245 50 0 HKAARN CCCCN(C)C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618439 569209988 /nfs/dbraw/zinc/20/99/88/569209988.db2.gz KAHSSGDVHLAVOR-UHFFFAOYSA-N 0 0 409.486 5.630 50 0 HKAARN Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)N4CCCC[C@@H]4C)c32)cc1 ZINC000036618443 569210036 /nfs/dbraw/zinc/21/00/36/569210036.db2.gz GMFFXUVIARXDDR-INIZCTEOSA-N 0 0 401.466 5.473 50 0 HKAARN Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)N4CCCC[C@H]4C)c32)cc1 ZINC000036618444 569209982 /nfs/dbraw/zinc/20/99/82/569209982.db2.gz GMFFXUVIARXDDR-MRXNPFEDSA-N 0 0 401.466 5.473 50 0 HKAARN O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c21 ZINC000036618450 569210021 /nfs/dbraw/zinc/21/00/21/569210021.db2.gz VAFGGIPAWPCBSX-UHFFFAOYSA-N 0 0 413.408 5.219 50 0 HKAARN O=C(Nc1ccncc1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618454 569209981 /nfs/dbraw/zinc/20/99/81/569209981.db2.gz XMJOANGKUGIOPX-UHFFFAOYSA-N 0 0 410.408 5.343 50 0 HKAARN O=C(Nc1ccccn1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618467 569210128 /nfs/dbraw/zinc/21/01/28/569210128.db2.gz LYKICUIPLTZGAO-UHFFFAOYSA-N 0 0 410.408 5.343 50 0 HKAARN O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618493 569210127 /nfs/dbraw/zinc/21/01/27/569210127.db2.gz ZASKWXGCNOUYLD-UHFFFAOYSA-N 0 0 413.408 5.219 50 0 HKAARN O=C(Nc1ccncc1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618528 569210117 /nfs/dbraw/zinc/21/01/17/569210117.db2.gz RTUGTUHUNFTRHB-UHFFFAOYSA-N 0 0 410.408 5.343 50 0 HKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 ZINC000036618878 569210280 /nfs/dbraw/zinc/21/02/80/569210280.db2.gz LBDSSXSZKMWYNR-UHFFFAOYSA-N 0 0 420.559 5.333 50 0 HKAARN CCc1cc(C(=O)Nc2ccccc2C)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621591 569211867 /nfs/dbraw/zinc/21/18/67/569211867.db2.gz OJERGSLIQVOIAK-UHFFFAOYSA-N 0 0 410.521 5.480 50 0 HKAARN CCc1cc(C(=O)Nc2cccc(C)c2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621596 569211970 /nfs/dbraw/zinc/21/19/70/569211970.db2.gz VZXGSYXQKJFUSK-UHFFFAOYSA-N 0 0 414.484 5.560 50 0 HKAARN CCc1cc(C(=O)Nc2cc(C)cc(C)c2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621612 569212107 /nfs/dbraw/zinc/21/21/07/569212107.db2.gz COVVCYOQAUOEOD-UHFFFAOYSA-N 0 0 424.548 5.789 50 0 HKAARN CCc1cc(C(=O)N2CCCCCC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621622 560882263 /nfs/dbraw/zinc/88/22/63/560882263.db2.gz YSNLKRZIRLLOHU-UHFFFAOYSA-N 0 0 406.505 5.016 50 0 HKAARN CCc1cc(C(=O)N(C)C2CCCCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621629 569211837 /nfs/dbraw/zinc/21/18/37/569211837.db2.gz XVFHGDLFJDYMAK-UHFFFAOYSA-N 0 0 402.542 5.265 50 0 HKAARN CCc1cc(C(=O)Nc2cccc(F)c2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621630 569211827 /nfs/dbraw/zinc/21/18/27/569211827.db2.gz JHMIUTMASJTQBV-UHFFFAOYSA-N 0 0 400.457 5.252 50 0 HKAARN CCc1cc(C(=O)N(CC)c2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621702 560882228 /nfs/dbraw/zinc/88/22/28/560882228.db2.gz NZFRDQYYQFGFTL-UHFFFAOYSA-N 0 0 410.521 5.527 50 0 HKAARN CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621709 569212300 /nfs/dbraw/zinc/21/23/00/569212300.db2.gz XHJBGFJEXJWNQU-SFHVURJKSA-N 0 0 424.548 5.410 50 0 HKAARN CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621710 569212303 /nfs/dbraw/zinc/21/23/03/569212303.db2.gz XHJBGFJEXJWNQU-GOSISDBHSA-N 0 0 424.548 5.410 50 0 HKAARN CCc1cc(C(=O)Nc2ccccc2F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621715 569212331 /nfs/dbraw/zinc/21/23/31/569212331.db2.gz RHWBGSPLICWZHU-UHFFFAOYSA-N 0 0 418.447 5.391 50 0 HKAARN CCc1cc(C(=O)Nc2ccc(C)cc2C)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621724 569212293 /nfs/dbraw/zinc/21/22/93/569212293.db2.gz ICZYVOBWQVVAPT-UHFFFAOYSA-N 0 0 410.521 5.729 50 0 HKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000036621754 569212338 /nfs/dbraw/zinc/21/23/38/569212338.db2.gz KPMMIZLQECJQJE-XCSJNUKPSA-N 0 0 407.554 6.590 50 0 biogenic HKAARN O=c1nc(SC/C(=C\Cl)Sc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000036625367 569212739 /nfs/dbraw/zinc/21/27/39/569212739.db2.gz BGGRLSWEOMUGLS-JLHYYAGUSA-N 0 0 421.012 5.828 50 0 HKAARN COc1ccc(Cc2nnc(SCc3sc4ccccc4c3Cl)o2)cc1 ZINC000036625876 569212678 /nfs/dbraw/zinc/21/26/78/569212678.db2.gz ZGSGAQNMRHHJRG-UHFFFAOYSA-N 0 0 402.928 5.829 50 0 HKAARN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000036626659 569212186 /nfs/dbraw/zinc/21/21/86/569212186.db2.gz RFBKZGOROFHZIW-LJQANCHMSA-N 0 0 401.528 5.280 50 0 HKAARN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000036626660 569212208 /nfs/dbraw/zinc/21/22/08/569212208.db2.gz RFBKZGOROFHZIW-IBGZPJMESA-N 0 0 401.528 5.280 50 0 HKAARN COc1cc(CN(C)C(=O)c2cc3cc(Cl)ccc3nc2C)ccc1OC(F)F ZINC000036634369 522345997 /nfs/dbraw/zinc/34/59/97/522345997.db2.gz YSZKELZMNSJRGQ-UHFFFAOYSA-N 0 0 420.843 5.079 50 0 HKAARN O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccc(Cl)cc1 ZINC000036634904 527031582 /nfs/dbraw/zinc/03/15/82/527031582.db2.gz XRGVDQYXHZQNJE-UHFFFAOYSA-N 0 0 419.731 5.535 50 0 HKAARN CCCc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1-c1ccc(Cl)cc1 ZINC000036636045 560882554 /nfs/dbraw/zinc/88/25/54/560882554.db2.gz MMWXCTAYNBVUCK-UHFFFAOYSA-N 0 0 409.704 5.432 50 0 HKAARN CCCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(Cl)cc1 ZINC000036636046 569214651 /nfs/dbraw/zinc/21/46/51/569214651.db2.gz WVUSWDBMKPUSKZ-UHFFFAOYSA-N 0 0 409.704 5.432 50 0 HKAARN CC(C)c1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(Cl)cc1 ZINC000036636048 569214608 /nfs/dbraw/zinc/21/46/08/569214608.db2.gz YIXDJKGKHKYRLF-UHFFFAOYSA-N 0 0 409.704 5.603 50 0 HKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000036636115 569214630 /nfs/dbraw/zinc/21/46/30/569214630.db2.gz WXSZABZABXPPQA-UHFFFAOYSA-N 0 0 422.513 5.596 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3Cl)c3ccccc3n2)cc1 ZINC000036636116 560882603 /nfs/dbraw/zinc/88/26/03/560882603.db2.gz CNOHMFQVHCMTLI-UHFFFAOYSA-N 0 0 418.880 5.825 50 0 HKAARN Fc1ccc(-c2nnc3ccc(SCc4csc(-c5ccccc5)n4)nn32)cc1 ZINC000036638238 569214572 /nfs/dbraw/zinc/21/45/72/569214572.db2.gz SUKCMJWIPWKEGS-UHFFFAOYSA-N 0 0 419.510 5.346 50 0 HKAARN Cc1noc(C)c1CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 ZINC000036638372 569214578 /nfs/dbraw/zinc/21/45/78/569214578.db2.gz VWDXFRNKIHESLP-UHFFFAOYSA-N 0 0 420.440 5.450 50 0 HKAARN CCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639816 569215215 /nfs/dbraw/zinc/21/52/15/569215215.db2.gz LUDMDAZNBWPXPV-UHFFFAOYSA-N 0 0 423.476 5.199 50 0 HKAARN CCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639820 560882656 /nfs/dbraw/zinc/88/26/56/560882656.db2.gz DWUISTRTYSZHRQ-UHFFFAOYSA-N 0 0 423.476 5.199 50 0 HKAARN CCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639821 569215206 /nfs/dbraw/zinc/21/52/06/569215206.db2.gz REXYOKPBLSSDQU-UHFFFAOYSA-N 0 0 423.476 5.199 50 0 HKAARN COc1ccc(-c2nc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n[nH]2)cc1 ZINC000036644200 558800687 /nfs/dbraw/zinc/80/06/87/558800687.db2.gz ATXNJEOFFKPKAJ-UHFFFAOYSA-N 0 0 413.502 5.027 50 0 HKAARN Cc1c2c(nn1-c1ccccc1Cl)c(SCC(=O)c1ccccc1)nnc2C ZINC000036646288 558800840 /nfs/dbraw/zinc/80/08/40/558800840.db2.gz ZOEBSMXIYNAJQS-UHFFFAOYSA-N 0 0 408.914 5.061 50 0 HKAARN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)c1ccc(Cl)cc1)nnc2C ZINC000036646291 558800838 /nfs/dbraw/zinc/80/08/38/558800838.db2.gz OXDNQNVTWYCXOV-UHFFFAOYSA-N 0 0 408.914 5.061 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000036647272 569217134 /nfs/dbraw/zinc/21/71/34/569217134.db2.gz OIBBEWNORFJLRT-UHFFFAOYSA-N 0 0 403.478 5.240 50 0 HKAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(N3CCC(C)CC3)n2C2CC2)c1C ZINC000036649068 569217210 /nfs/dbraw/zinc/21/72/10/569217210.db2.gz NDVLUFKVCVMJRC-UHFFFAOYSA-N 0 0 412.603 5.269 50 0 HKAARN CC1CCN(Cc2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)CC1 ZINC000036652262 569216662 /nfs/dbraw/zinc/21/66/62/569216662.db2.gz LPADLWRZRUVGIU-UHFFFAOYSA-N 0 0 423.966 5.635 50 0 HKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cn3ccccc3n2)nn1 ZINC000036652430 569216686 /nfs/dbraw/zinc/21/66/86/569216686.db2.gz CITXBZGVQDNMEY-UHFFFAOYSA-N 0 0 421.576 5.577 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCC(F)(F)F ZINC000036660958 569217310 /nfs/dbraw/zinc/21/73/10/569217310.db2.gz WBZQRLBRAHAEOC-SFHVURJKSA-N 0 0 420.456 5.244 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1SCC(F)(F)F ZINC000036660959 569217342 /nfs/dbraw/zinc/21/73/42/569217342.db2.gz WBZQRLBRAHAEOC-GOSISDBHSA-N 0 0 420.456 5.244 50 0 HKAARN O=C(OCc1csc(-c2ccco2)n1)c1csc(-c2cccc(Cl)c2)n1 ZINC000036661769 569217314 /nfs/dbraw/zinc/21/73/14/569217314.db2.gz QCTMHAXWBAAMTN-UHFFFAOYSA-N 0 0 402.884 5.537 50 0 HKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000036664507 569217307 /nfs/dbraw/zinc/21/73/07/569217307.db2.gz IJDUGXSRBDLTIS-UHFFFAOYSA-N 0 0 402.401 5.266 50 0 HKAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc21 ZINC000036676081 569219527 /nfs/dbraw/zinc/21/95/27/569219527.db2.gz QLSMRBIZSDBJAO-UHFFFAOYSA-N 0 0 407.495 5.147 50 0 HKAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1c[nH]c2ccccc21 ZINC000036686297 569220222 /nfs/dbraw/zinc/22/02/22/569220222.db2.gz IQTCQVXCNAZZTG-VIFPVBQESA-N 0 0 424.835 5.246 50 0 HKAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1c[nH]c2ccccc21 ZINC000036686298 569220318 /nfs/dbraw/zinc/22/03/18/569220318.db2.gz IQTCQVXCNAZZTG-SECBINFHSA-N 0 0 424.835 5.246 50 0 HKAARN Cc1nc(C)c(C(=O)N(Cc2ccccn2)c2nc3c(cccc3Cl)s2)s1 ZINC000036691778 569221522 /nfs/dbraw/zinc/22/15/22/569221522.db2.gz PUGSYDHMFJZECB-UHFFFAOYSA-N 0 0 414.943 5.265 50 0 HKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1nc(Cl)ccc1Cl ZINC000036697859 569221529 /nfs/dbraw/zinc/22/15/29/569221529.db2.gz XKOCAQQLKNFKEO-MRXNPFEDSA-N 0 0 410.304 5.432 50 0 HKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1nc(Cl)ccc1Cl ZINC000036697860 569221527 /nfs/dbraw/zinc/22/15/27/569221527.db2.gz XKOCAQQLKNFKEO-INIZCTEOSA-N 0 0 410.304 5.432 50 0 HKAARN COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 ZINC000036705418 526195974 /nfs/dbraw/zinc/19/59/74/526195974.db2.gz YGBMBUQBDQPQIZ-UHFFFAOYSA-N 0 0 403.438 5.030 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708945 569223881 /nfs/dbraw/zinc/22/38/81/569223881.db2.gz WUKNAJJTGJZBFQ-UHFFFAOYSA-N 0 0 424.548 5.248 50 0 HKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)Nc1c(F)cccc1F ZINC000036709314 569223915 /nfs/dbraw/zinc/22/39/15/569223915.db2.gz GQOGBRHTDMILTE-UHFFFAOYSA-N 0 0 406.266 6.101 50 0 HKAARN COc1ccc(CNC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1OC ZINC000036709332 569224077 /nfs/dbraw/zinc/22/40/77/569224077.db2.gz FAADFIJBIOKFQR-UHFFFAOYSA-N 0 0 419.506 5.302 50 0 HKAARN COc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC ZINC000036709336 569224093 /nfs/dbraw/zinc/22/40/93/569224093.db2.gz NPVJVCJLLKPYQP-UHFFFAOYSA-N 0 0 419.437 5.165 50 0 HKAARN COc1ccc(OC)c(-c2csc(NC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000036709348 569224070 /nfs/dbraw/zinc/22/40/70/569224070.db2.gz HPPDSPNGGCYNAZ-UHFFFAOYSA-N 0 0 423.416 5.490 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000036709594 569223563 /nfs/dbraw/zinc/22/35/63/569223563.db2.gz CYEIUAYRZXAWDF-UHFFFAOYSA-N 0 0 416.374 5.278 50 0 HKAARN O=C(/C=C\c1cccs1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000036709596 569223574 /nfs/dbraw/zinc/22/35/74/569223574.db2.gz BXBXFVUIFHUKSB-QXMHVHEDSA-N 0 0 416.424 5.671 50 0 HKAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2Cl)cc1 ZINC000036709607 569223578 /nfs/dbraw/zinc/22/35/78/569223578.db2.gz RBEZUTYLMJXDPJ-UHFFFAOYSA-N 0 0 422.912 5.733 50 0 HKAARN O=C(NCc1cccc2ccccc21)Nc1ccccc1NC(=O)c1ccccc1F ZINC000036709625 569223597 /nfs/dbraw/zinc/22/35/97/569223597.db2.gz QPYFAFLSSDDOGL-UHFFFAOYSA-N 0 0 413.452 5.553 50 0 HKAARN O=C(Nc1ccccc1NC(=O)c1ccccc1F)Nc1ccccc1C(F)(F)F ZINC000036709635 569223617 /nfs/dbraw/zinc/22/36/17/569223617.db2.gz DYSHLUDMSMZFAG-UHFFFAOYSA-N 0 0 417.362 5.741 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000036709649 569223561 /nfs/dbraw/zinc/22/35/61/569223561.db2.gz KZOJXEBAYCSPDW-UHFFFAOYSA-N 0 0 413.399 5.910 50 0 HKAARN O=C(NCc1cccs1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000036709655 569223611 /nfs/dbraw/zinc/22/36/11/569223611.db2.gz MEGFIXRVFACTMO-UHFFFAOYSA-N 0 0 419.428 5.341 50 0 HKAARN Cc1ccc(-c2nnc([C@@H](C)OC(=O)Cc3csc(-c4cccc(F)c4)n3)o2)cc1 ZINC000036712695 569224283 /nfs/dbraw/zinc/22/42/83/569224283.db2.gz QQHPRHHGCHVNOT-CQSZACIVSA-N 0 0 423.469 5.155 50 0 HKAARN Cc1ccc(-c2nnc([C@H](C)OC(=O)Cc3csc(-c4cccc(F)c4)n3)o2)cc1 ZINC000036712696 569224285 /nfs/dbraw/zinc/22/42/85/569224285.db2.gz QQHPRHHGCHVNOT-AWEZNQCLSA-N 0 0 423.469 5.155 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000036714787 569224673 /nfs/dbraw/zinc/22/46/73/569224673.db2.gz ZPZNUYXQYNCZAK-SANMLTNESA-N 0 0 424.569 5.810 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000036714789 569224682 /nfs/dbraw/zinc/22/46/82/569224682.db2.gz ZPZNUYXQYNCZAK-AREMUKBSSA-N 0 0 424.569 5.810 50 0 HKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N(Cc1ccco1)Cc1ccco1 ZINC000036747816 569226094 /nfs/dbraw/zinc/22/60/94/569226094.db2.gz GBOFAXCTGHAAKG-UHFFFAOYSA-N 0 0 404.447 5.585 50 0 HKAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCc2ccccc21 ZINC000036755210 569226898 /nfs/dbraw/zinc/22/68/98/569226898.db2.gz ODQWVMSAVGEVGZ-UHFFFAOYSA-N 0 0 401.491 5.279 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000036760126 569227120 /nfs/dbraw/zinc/22/71/20/569227120.db2.gz PNRJKTYYSJCMOH-UHFFFAOYSA-N 0 0 401.369 5.135 50 0 HKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000036760344 569227137 /nfs/dbraw/zinc/22/71/37/569227137.db2.gz ZLWAQEHTEFXABU-UHFFFAOYSA-N 0 0 409.442 5.174 50 0 HKAARN COc1ccccc1-c1noc(CSc2nc3c(n2-c2ccccc2)CCCC3)n1 ZINC000036772400 569227728 /nfs/dbraw/zinc/22/77/28/569227728.db2.gz PXXQAGAMRIGADX-UHFFFAOYSA-N 0 0 418.522 5.102 50 0 HKAARN Cc1nc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)sc1-c1nccn1C(F)F ZINC000036802763 569228788 /nfs/dbraw/zinc/22/87/88/569228788.db2.gz PPDKTSIHWJOLAL-UHFFFAOYSA-N 0 0 401.442 5.061 50 0 HKAARN CSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036869799 569231214 /nfs/dbraw/zinc/23/12/14/569231214.db2.gz BQUMUNVHGDLYFP-HXUWFJFHSA-N 0 0 400.594 5.118 50 0 HKAARN CC(=O)Nc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cs1 ZINC000036882581 571313895 /nfs/dbraw/zinc/31/38/95/571313895.db2.gz OKFXKALWGLYYCT-UHFFFAOYSA-N 0 0 407.520 5.716 50 0 HKAARN O=C(OCc1csc(-c2ccco2)n1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000037143156 569238743 /nfs/dbraw/zinc/23/87/43/569238743.db2.gz MNBWRDQDJWBQNG-GOOCMWNKSA-N 0 0 421.609 5.449 50 0 HKAARN CCc1cccc(CC)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208940 569240259 /nfs/dbraw/zinc/24/02/59/569240259.db2.gz YTNALBCSZGFTBD-HSZRJFAPSA-N 0 0 410.608 5.521 50 0 HKAARN COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl ZINC000037208957 569240280 /nfs/dbraw/zinc/24/02/80/569240280.db2.gz OLHURBCSVXANHG-HXUWFJFHSA-N 0 0 418.971 5.058 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208963 569240231 /nfs/dbraw/zinc/24/02/31/569240231.db2.gz ZVUMSGMZYQIWMQ-HSZRJFAPSA-N 0 0 410.608 5.828 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000037210469 569240470 /nfs/dbraw/zinc/24/04/70/569240470.db2.gz STASXNQJSJHXIV-FQEVSTJZSA-N 0 0 418.971 5.058 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000037210470 569240423 /nfs/dbraw/zinc/24/04/23/569240423.db2.gz WNZIILVMBVEYLL-FQEVSTJZSA-N 0 0 402.972 5.358 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000037210502 569240485 /nfs/dbraw/zinc/24/04/85/569240485.db2.gz JGSALTHINICRFQ-FQEVSTJZSA-N 0 0 402.972 5.358 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(Cl)c1 ZINC000037213019 569240511 /nfs/dbraw/zinc/24/05/11/569240511.db2.gz YSJBDSWEBFLBNY-OAQYLSRUSA-N 0 0 416.999 5.666 50 0 HKAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(Cl)c1 ZINC000037224305 568424941 /nfs/dbraw/zinc/42/49/41/568424941.db2.gz SVZUOYDCZLQZNB-HXUWFJFHSA-N 0 0 402.972 5.358 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@@H](C)c1ccccc1 ZINC000037246153 569012780 /nfs/dbraw/zinc/01/27/80/569012780.db2.gz YPMQXOFDCXSPCT-JQFGKLOXSA-N 0 0 408.582 6.552 50 0 HKAARN CCOC(=O)[C@H](CC(C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000037246230 558803935 /nfs/dbraw/zinc/80/39/35/558803935.db2.gz ILILSEQPAWMTJB-VWLOTQADSA-N 0 0 401.550 5.546 50 0 HKAARN C[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037275723 569245793 /nfs/dbraw/zinc/24/57/93/569245793.db2.gz GWLKZSHIZSNSAI-QGZVFWFLSA-N 0 0 420.896 5.010 50 0 HKAARN C[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037275725 569245831 /nfs/dbraw/zinc/24/58/31/569245831.db2.gz GWLKZSHIZSNSAI-KRWDZBQOSA-N 0 0 420.896 5.010 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)NCC(C)C ZINC000037278370 569246003 /nfs/dbraw/zinc/24/60/03/569246003.db2.gz DJHZIXFXUXVUQJ-UHFFFAOYSA-N 0 0 405.542 5.240 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)N(CC)CC ZINC000037278378 569246002 /nfs/dbraw/zinc/24/60/02/569246002.db2.gz XYEOKUOWLIZJIR-UHFFFAOYSA-N 0 0 405.542 5.336 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CCC(=O)N(C)C(C)C ZINC000037278380 569246029 /nfs/dbraw/zinc/24/60/29/569246029.db2.gz QYVONALVURHJNM-UHFFFAOYSA-N 0 0 405.542 5.335 50 0 HKAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)N(C)C(C)C ZINC000037278416 569246038 /nfs/dbraw/zinc/24/60/38/569246038.db2.gz KTGASNFTUPLWOP-UHFFFAOYSA-N 0 0 409.505 5.166 50 0 HKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NC(C)C ZINC000037278454 569246021 /nfs/dbraw/zinc/24/60/21/569246021.db2.gz TXRGCXCXXZSION-UHFFFAOYSA-N 0 0 421.541 5.001 50 0 HKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)NC(C)C ZINC000037278486 569246051 /nfs/dbraw/zinc/24/60/51/569246051.db2.gz KBYDBXJCIVQIKT-UHFFFAOYSA-N 0 0 421.541 5.001 50 0 HKAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2C)c1CCC(=O)NC(C)C ZINC000037278582 569246043 /nfs/dbraw/zinc/24/60/43/569246043.db2.gz UTVQCOLCSZGLII-UHFFFAOYSA-N 0 0 421.541 5.001 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)N(CC)CC ZINC000037278619 569246033 /nfs/dbraw/zinc/24/60/33/569246033.db2.gz PFDACFWSCLNLGQ-UHFFFAOYSA-N 0 0 409.505 5.167 50 0 HKAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)N(C)C(C)C ZINC000037278621 569246023 /nfs/dbraw/zinc/24/60/23/569246023.db2.gz USHJOQPLRJHEHC-UHFFFAOYSA-N 0 0 409.505 5.166 50 0 HKAARN COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2cccc(C)c2)cc1 ZINC000037278656 569246137 /nfs/dbraw/zinc/24/61/37/569246137.db2.gz SBPKAAXTIYVKTB-UHFFFAOYSA-N 0 0 421.541 5.089 50 0 HKAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(C)cc1 ZINC000037278681 569246160 /nfs/dbraw/zinc/24/61/60/569246160.db2.gz DANMIBNVFARMPM-UHFFFAOYSA-N 0 0 421.541 5.091 50 0 HKAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000037278711 569246131 /nfs/dbraw/zinc/24/61/31/569246131.db2.gz IEQARHVSHVBKEL-UHFFFAOYSA-N 0 0 413.468 5.052 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)N(C)C(C)C ZINC000037278713 569246155 /nfs/dbraw/zinc/24/61/55/569246155.db2.gz UOFVSGGWNZHVKF-UHFFFAOYSA-N 0 0 413.468 5.051 50 0 HKAARN CCN(CC)C(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1cccc(C)c1 ZINC000037278723 569246157 /nfs/dbraw/zinc/24/61/57/569246157.db2.gz RLGDJUUZQBTSKR-UHFFFAOYSA-N 0 0 405.542 5.391 50 0 HKAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)N(C)C(C)C ZINC000037278725 569246118 /nfs/dbraw/zinc/24/61/18/569246118.db2.gz BAJABXIGJRGBIR-UHFFFAOYSA-N 0 0 405.542 5.389 50 0 HKAARN COc1cc(-c2noc(-c3ccccc3F)n2)ccc1OCc1cc(F)ccc1F ZINC000037278813 569246150 /nfs/dbraw/zinc/24/61/50/569246150.db2.gz OYWFLXJMNXEXMO-UHFFFAOYSA-N 0 0 412.367 5.409 50 0 HKAARN COc1ccccc1-c1nc(-c2ccc(OCc3cc(F)ccc3F)c(OC)c2)no1 ZINC000037278815 569246115 /nfs/dbraw/zinc/24/61/15/569246115.db2.gz LSYNEDJYUZRHFR-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4F)cc3)no2)cc1OC ZINC000037278866 569246124 /nfs/dbraw/zinc/24/61/24/569246124.db2.gz DKPZXJOBINADAS-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccc(C)cc4)cc3)no2)cc1OC ZINC000037278892 569246125 /nfs/dbraw/zinc/24/61/25/569246125.db2.gz AFBNQZMMMJLPRX-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4C)cc3)no2)cc1OC ZINC000037278910 569246107 /nfs/dbraw/zinc/24/61/07/569246107.db2.gz OBKPXFHDQIMMJO-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1ccccc1-c1nc(-c2ccc(OCc3cccc(C)c3)c(OC)c2)no1 ZINC000037278962 569246144 /nfs/dbraw/zinc/24/61/44/569246144.db2.gz UEIVKDDARMUXQW-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4C)c(OC)c3)no2)cc1 ZINC000037278966 569246133 /nfs/dbraw/zinc/24/61/33/569246133.db2.gz HOIZOXOKGGXVBB-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1cccc(-c2nc(-c3ccc(OCc4ccccc4C)c(OC)c3)no2)c1 ZINC000037278973 569246086 /nfs/dbraw/zinc/24/60/86/569246086.db2.gz ZSFXWZPRKOCIHF-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4cccc(F)c4)c(OC)c3)no2)cc1 ZINC000037278977 569246082 /nfs/dbraw/zinc/24/60/82/569246082.db2.gz ZMYNXCVRWZRLHN-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCc1ccc(F)cc1F ZINC000037278986 569246088 /nfs/dbraw/zinc/24/60/88/569246088.db2.gz GRVGSPXUGYSMCO-UHFFFAOYSA-N 0 0 408.404 5.578 50 0 HKAARN COc1ccccc1-c1nc(-c2ccc(OCc3ccc(F)cc3F)c(OC)c2)no1 ZINC000037278989 569246159 /nfs/dbraw/zinc/24/61/59/569246159.db2.gz ISLGKLOXJMGUST-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1cccc(COc2ccc(-c3noc(-c4ccccc4F)n3)cc2OC)c1 ZINC000037278993 569246164 /nfs/dbraw/zinc/24/61/64/569246164.db2.gz DILUCIAASMNZAK-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1cccc(COc2ccc(-c3noc(-c4cccc(F)c4)n3)cc2OC)c1 ZINC000037278996 569246090 /nfs/dbraw/zinc/24/60/90/569246090.db2.gz RXCRRTLMIMRFHN-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1cccc(COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2OC)c1 ZINC000037278998 569246127 /nfs/dbraw/zinc/24/61/27/569246127.db2.gz ATTJNJAIOCIDHH-UHFFFAOYSA-N 0 0 422.868 5.653 50 0 HKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)Nc1ccccc1 ZINC000037279217 569246116 /nfs/dbraw/zinc/24/61/16/569246116.db2.gz VFZBBSCRRXYDBG-UHFFFAOYSA-N 0 0 420.512 5.715 50 0 HKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)Nc1ccccc1 ZINC000037279228 569246080 /nfs/dbraw/zinc/24/60/80/569246080.db2.gz WXWDQKOMFOJUGN-UHFFFAOYSA-N 0 0 412.533 5.591 50 0 HKAARN Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037279252 569246096 /nfs/dbraw/zinc/24/60/96/569246096.db2.gz XCROWDQFJVYITA-UHFFFAOYSA-N 0 0 418.512 5.048 50 0 HKAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037279436 569246122 /nfs/dbraw/zinc/24/61/22/569246122.db2.gz KHBTXTGPCNNYKH-UHFFFAOYSA-N 0 0 412.533 5.007 50 0 HKAARN CC(C)CNC(=O)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1 ZINC000037284937 569246408 /nfs/dbraw/zinc/24/64/08/569246408.db2.gz LCPVYESLKCAFSN-UHFFFAOYSA-N 0 0 402.466 5.053 50 0 HKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@H](C(=O)OC)c3ccccc3)C2)cc1 ZINC000037309566 569248948 /nfs/dbraw/zinc/24/89/48/569248948.db2.gz OPDLXOIZJBOCOA-WXFUMESZSA-N 0 0 405.538 5.051 50 0 HKAARN CCCCCc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@H](C(=O)OC)c3ccccc3)C2)cc1 ZINC000037309570 569248930 /nfs/dbraw/zinc/24/89/30/569248930.db2.gz OPDLXOIZJBOCOA-RBZQAINGSA-N 0 0 405.538 5.051 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000037328498 569250013 /nfs/dbraw/zinc/25/00/13/569250013.db2.gz ALMWFDOHGKRDCI-KRWDZBQOSA-N 0 0 409.898 5.165 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000037328499 569249947 /nfs/dbraw/zinc/24/99/47/569249947.db2.gz ALMWFDOHGKRDCI-QGZVFWFLSA-N 0 0 409.898 5.165 50 0 HKAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NC1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357591 569274829 /nfs/dbraw/zinc/27/48/29/569274829.db2.gz XTQWGPOLPGUNST-UHFFFAOYSA-N 0 0 422.895 5.212 50 0 HKAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357820 569275937 /nfs/dbraw/zinc/27/59/37/569275937.db2.gz TXZDEBLRHWIRSL-UHFFFAOYSA-N 0 0 418.932 5.132 50 0 HKAARN Cc1cccc(-n2nc3nc(NCC(C)C)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037358987 569277458 /nfs/dbraw/zinc/27/74/58/569277458.db2.gz XCAHJFZLTJHDMC-UHFFFAOYSA-N 0 0 406.921 5.094 50 0 HKAARN CC(C)Nc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037359118 569277588 /nfs/dbraw/zinc/27/75/88/569277588.db2.gz ZRWQILGEQIWTDO-UHFFFAOYSA-N 0 0 413.312 5.192 50 0 HKAARN CC(C)c1ccc(-c2nc(NCC3CC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037360853 569283589 /nfs/dbraw/zinc/28/35/89/569283589.db2.gz LRRKIGUAXYJONB-UHFFFAOYSA-N 0 0 416.504 5.149 50 0 HKAARN Cc1cccc(-n2nc3nc(NCc4ccccc4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037361200 569283567 /nfs/dbraw/zinc/28/35/67/569283567.db2.gz IRCYOTNDZGQBLR-UHFFFAOYSA-N 0 0 424.483 5.124 50 0 HKAARN Cn1nc2nc(NCc3ccccc3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037375613 569287916 /nfs/dbraw/zinc/28/79/16/569287916.db2.gz XSMYCKIHVMTZHO-UHFFFAOYSA-N 0 0 422.492 5.017 50 0 HKAARN CC(C)(C)n1nc2nc(NCc3ccccc3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037376695 569288106 /nfs/dbraw/zinc/28/81/06/569288106.db2.gz PFXIGDYJQGOIHY-UHFFFAOYSA-N 0 0 424.911 5.235 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000037380048 569294919 /nfs/dbraw/zinc/29/49/19/569294919.db2.gz AVNCLXLJYUPOBC-QHCPKHFHSA-N 0 0 416.952 6.222 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)c[nH]c21 ZINC000037380052 569294908 /nfs/dbraw/zinc/29/49/08/569294908.db2.gz AVNCLXLJYUPOBC-HSZRJFAPSA-N 0 0 416.952 6.222 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCc1ccccc1 ZINC000037380779 569295149 /nfs/dbraw/zinc/29/51/49/569295149.db2.gz SDOYIQXLRRVHJL-NRFANRHFSA-N 0 0 422.450 6.025 50 0 HKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCc1ccccc1 ZINC000037380783 569295119 /nfs/dbraw/zinc/29/51/19/569295119.db2.gz SDOYIQXLRRVHJL-OAQYLSRUSA-N 0 0 422.450 6.025 50 0 HKAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000037381636 569295008 /nfs/dbraw/zinc/29/50/08/569295008.db2.gz QWYVDXGSYPKVCD-XMMPIXPASA-N 0 0 410.561 6.304 50 0 HKAARN CC(C)(C)c1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000037381639 569295001 /nfs/dbraw/zinc/29/50/01/569295001.db2.gz QWYVDXGSYPKVCD-DEOSSOPVSA-N 0 0 410.561 6.304 50 0 HKAARN Cc1ccc(C(=O)NCCNc2nc(-c3cccs3)nc3cc(Cl)ccc32)cc1 ZINC000037382223 569295022 /nfs/dbraw/zinc/29/50/22/569295022.db2.gz PGIASXIPLURDDX-UHFFFAOYSA-N 0 0 422.941 5.162 50 0 HKAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(NCCNC(=O)c3cccs3)n2)cc1 ZINC000037382285 569295000 /nfs/dbraw/zinc/29/50/00/569295000.db2.gz UUKCMRBUTZISOU-UHFFFAOYSA-N 0 0 422.941 5.162 50 0 HKAARN CC(C)Oc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385310 569295217 /nfs/dbraw/zinc/29/52/17/569295217.db2.gz TVIJXKMCDJQQGO-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN CC(C)Oc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385370 569295312 /nfs/dbraw/zinc/29/53/12/569295312.db2.gz AOODMNQSVQHSGG-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN CC(C)Oc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037385373 569295316 /nfs/dbraw/zinc/29/53/16/569295316.db2.gz RVKYWSKWRQWJOP-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000037385409 569295261 /nfs/dbraw/zinc/29/52/61/569295261.db2.gz YZGYZSMTRYGDET-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN CC(C)COc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000037385448 569295272 /nfs/dbraw/zinc/29/52/72/569295272.db2.gz NFOULZIDHRBEJA-UHFFFAOYSA-N 0 0 424.551 5.344 50 0 HKAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037385452 569295247 /nfs/dbraw/zinc/29/52/47/569295247.db2.gz XMTHTHKZIFMPSN-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN CN(Cc1ccccc1)C(=O)CCn1c2ccccc2nc1Cc1cccc(Cl)c1 ZINC000037385630 569295322 /nfs/dbraw/zinc/29/53/22/569295322.db2.gz FBICIMQATLOEHH-UHFFFAOYSA-N 0 0 417.940 5.329 50 0 HKAARN O=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037385632 569295323 /nfs/dbraw/zinc/29/53/23/569295323.db2.gz BTUFIHRCBVZMMZ-UHFFFAOYSA-N 0 0 407.876 5.448 50 0 HKAARN CC(C)CNC(=O)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037385663 558804574 /nfs/dbraw/zinc/80/45/74/558804574.db2.gz NTZYYLBJLMXJDS-UHFFFAOYSA-N 0 0 404.341 5.096 50 0 HKAARN CCCN(C)C(=O)CCn1c2ccccc2nc1Cc1ccc(Cl)c(Cl)c1 ZINC000037385669 558804607 /nfs/dbraw/zinc/80/46/07/558804607.db2.gz VRIHJFVKGNDOKQ-UHFFFAOYSA-N 0 0 404.341 5.192 50 0 HKAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037385700 569295265 /nfs/dbraw/zinc/29/52/65/569295265.db2.gz RYGZAFSNXCXWND-UHFFFAOYSA-N 0 0 422.485 5.174 50 0 HKAARN O=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037396636 569296137 /nfs/dbraw/zinc/29/61/37/569296137.db2.gz YOJKGPWQQZYLDF-UHFFFAOYSA-N 0 0 421.903 5.126 50 0 HKAARN CCC[C@@H](C(=O)NC(C)C)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396721 569296294 /nfs/dbraw/zinc/29/62/94/569296294.db2.gz XGIVQHCAVKMGCP-FQEVSTJZSA-N 0 0 418.368 5.800 50 0 HKAARN CCC[C@H](C(=O)NC(C)C)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396723 569296312 /nfs/dbraw/zinc/29/63/12/569296312.db2.gz XGIVQHCAVKMGCP-HXUWFJFHSA-N 0 0 418.368 5.800 50 0 HKAARN CCC[C@@H](C(=O)NC1CC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037396889 569296251 /nfs/dbraw/zinc/29/62/51/569296251.db2.gz NBFDJUFXPRQPAI-FQEVSTJZSA-N 0 0 416.352 5.554 50 0 HKAARN CCC[C@H](C(=O)NC1CC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037396891 569296196 /nfs/dbraw/zinc/29/61/96/569296196.db2.gz NBFDJUFXPRQPAI-HXUWFJFHSA-N 0 0 416.352 5.554 50 0 HKAARN O=C(CCn1c(Cc2ccccc2Cl)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037396946 568430833 /nfs/dbraw/zinc/43/08/33/568430833.db2.gz WVEUUWARVUQFAL-UHFFFAOYSA-N 0 0 421.903 5.126 50 0 HKAARN CCC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037396957 558804960 /nfs/dbraw/zinc/80/49/60/558804960.db2.gz PPHJHGHPPCPHFL-QFIPXVFZSA-N 0 0 409.549 5.496 50 0 HKAARN CCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037396958 558804918 /nfs/dbraw/zinc/80/49/18/558804918.db2.gz PPHJHGHPPCPHFL-JOCHJYFZSA-N 0 0 409.549 5.496 50 0 HKAARN CCCN(C)C(=O)CCn1c2ccccc2nc1Cc1ccc(Cl)cc1Cl ZINC000037396973 569296298 /nfs/dbraw/zinc/29/62/98/569296298.db2.gz KYFSMTVGQXEMKD-UHFFFAOYSA-N 0 0 404.341 5.192 50 0 HKAARN CCC[C@@H](C(=O)NC1CC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397189 569296433 /nfs/dbraw/zinc/29/64/33/569296433.db2.gz QVILGCYYMITSBQ-FQEVSTJZSA-N 0 0 416.352 5.554 50 0 HKAARN CCC[C@H](C(=O)NC1CC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397190 569296400 /nfs/dbraw/zinc/29/64/00/569296400.db2.gz QVILGCYYMITSBQ-HXUWFJFHSA-N 0 0 416.352 5.554 50 0 HKAARN CCC[C@@H](C(=O)NCc1ccco1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037397205 569296444 /nfs/dbraw/zinc/29/64/44/569296444.db2.gz MRHFMYAQEHVJRL-QFIPXVFZSA-N 0 0 421.928 5.531 50 0 HKAARN CCC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000037397206 569296445 /nfs/dbraw/zinc/29/64/45/569296445.db2.gz MRHFMYAQEHVJRL-JOCHJYFZSA-N 0 0 421.928 5.531 50 0 HKAARN CN(Cc1ccccc1)C(=O)CCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000037397211 569296392 /nfs/dbraw/zinc/29/63/92/569296392.db2.gz RHZYJVUKABULNF-UHFFFAOYSA-N 0 0 417.940 5.329 50 0 HKAARN CC(C)CNC(=O)CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397263 558804895 /nfs/dbraw/zinc/80/48/95/558804895.db2.gz VWBFEJYKPOTNAU-UHFFFAOYSA-N 0 0 404.341 5.096 50 0 HKAARN CCCN(C)C(=O)CCn1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397269 569296689 /nfs/dbraw/zinc/29/66/89/569296689.db2.gz RWETXYWCCNFTSS-UHFFFAOYSA-N 0 0 404.341 5.192 50 0 HKAARN Cc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)n(Cc2ccc(F)cc2)c1C ZINC000037397289 569296471 /nfs/dbraw/zinc/29/64/71/569296471.db2.gz UVRBWTXLGAQHLA-UHFFFAOYSA-N 0 0 418.434 5.550 50 0 HKAARN CC(C)CNC(=O)CCn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397326 569296575 /nfs/dbraw/zinc/29/65/75/569296575.db2.gz FLAFIQXTINZEFN-UHFFFAOYSA-N 0 0 404.341 5.096 50 0 HKAARN CCCNC(=O)[C@H](CCC)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037397647 569296817 /nfs/dbraw/zinc/29/68/17/569296817.db2.gz BNNFLZRCPLXIIR-NRFANRHFSA-N 0 0 411.977 5.765 50 0 HKAARN CCCNC(=O)[C@@H](CCC)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037397648 569296759 /nfs/dbraw/zinc/29/67/59/569296759.db2.gz BNNFLZRCPLXIIR-OAQYLSRUSA-N 0 0 411.977 5.765 50 0 HKAARN CC[C@@H](C(=O)NCC(C)C)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397893 569297029 /nfs/dbraw/zinc/29/70/29/569297029.db2.gz IEFIPNROFJSRNR-IBGZPJMESA-N 0 0 418.368 5.657 50 0 HKAARN CC[C@H](C(=O)NCC(C)C)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397894 569297001 /nfs/dbraw/zinc/29/70/01/569297001.db2.gz IEFIPNROFJSRNR-LJQANCHMSA-N 0 0 418.368 5.657 50 0 HKAARN CC[C@@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397895 569296995 /nfs/dbraw/zinc/29/69/95/569296995.db2.gz NINUQEMAKXBAHY-IBGZPJMESA-N 0 0 416.352 5.507 50 0 HKAARN CC[C@H](C(=O)N1CCCC1)n1c2ccccc2nc1Cc1c(Cl)cccc1Cl ZINC000037397896 569296991 /nfs/dbraw/zinc/29/69/91/569296991.db2.gz NINUQEMAKXBAHY-LJQANCHMSA-N 0 0 416.352 5.507 50 0 HKAARN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397934 569297033 /nfs/dbraw/zinc/29/70/33/569297033.db2.gz SLHNYNLSTMZGDO-CQSZACIVSA-N 0 0 404.341 5.239 50 0 HKAARN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397935 569297035 /nfs/dbraw/zinc/29/70/35/569297035.db2.gz SLHNYNLSTMZGDO-AWEZNQCLSA-N 0 0 404.341 5.239 50 0 HKAARN Cc1cccc(NC(=O)CCn2c(Cc3ccc(F)cc3)nc3cc(C)c(C)cc32)c1 ZINC000037397942 569297045 /nfs/dbraw/zinc/29/70/45/569297045.db2.gz JFUGRGKAVXDROO-UHFFFAOYSA-N 0 0 415.512 5.720 50 0 HKAARN CCC[C@@H](C(=O)Nc1cccc(C)c1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398052 569297002 /nfs/dbraw/zinc/29/70/02/569297002.db2.gz ZOYIPDPJLDBZAH-DEOSSOPVSA-N 0 0 415.512 6.055 50 0 HKAARN CCC[C@H](C(=O)Nc1cccc(C)c1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398053 569296994 /nfs/dbraw/zinc/29/69/94/569296994.db2.gz ZOYIPDPJLDBZAH-XMMPIXPASA-N 0 0 415.512 6.055 50 0 HKAARN CC[C@@H](C(=O)N1CCCC1)n1c2cc(C)c(C)cc2nc1Cc1ccccc1Cl ZINC000037398295 569296934 /nfs/dbraw/zinc/29/69/34/569296934.db2.gz DMGOHRVYLLCZNA-NRFANRHFSA-N 0 0 409.961 5.471 50 0 HKAARN CC[C@H](C(=O)N1CCCC1)n1c2cc(C)c(C)cc2nc1Cc1ccccc1Cl ZINC000037398296 569296885 /nfs/dbraw/zinc/29/68/85/569296885.db2.gz DMGOHRVYLLCZNA-OAQYLSRUSA-N 0 0 409.961 5.471 50 0 HKAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NCc3ccco3)c2cc1C ZINC000037398310 569296946 /nfs/dbraw/zinc/29/69/46/569296946.db2.gz FHWURMZBGWMKCU-UHFFFAOYSA-N 0 0 421.928 5.197 50 0 HKAARN Cc1cccc(NC(=O)CCn2c(Cc3ccccc3Cl)nc3ccccc32)c1 ZINC000037398326 569297118 /nfs/dbraw/zinc/29/71/18/569297118.db2.gz QTAPPVFHULKYLP-UHFFFAOYSA-N 0 0 403.913 5.618 50 0 HKAARN CC[C@@H](C)NC(=O)CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398330 569297144 /nfs/dbraw/zinc/29/71/44/569297144.db2.gz VEYJGFNVBHNIMI-CQSZACIVSA-N 0 0 404.341 5.239 50 0 HKAARN CC[C@H](C)NC(=O)CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398331 569297124 /nfs/dbraw/zinc/29/71/24/569297124.db2.gz VEYJGFNVBHNIMI-AWEZNQCLSA-N 0 0 404.341 5.239 50 0 HKAARN CCCNC(=O)[C@@H](CC)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037398364 569297136 /nfs/dbraw/zinc/29/71/36/569297136.db2.gz LHHATOTYPZMFEB-GOSISDBHSA-N 0 0 404.341 5.411 50 0 HKAARN CCCNC(=O)[C@H](CC)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037398365 568430849 /nfs/dbraw/zinc/43/08/49/568430849.db2.gz LHHATOTYPZMFEB-SFHVURJKSA-N 0 0 404.341 5.411 50 0 HKAARN Cc1cccc(NC(=O)CCn2c(Cc3cccc(Cl)c3)nc3ccccc32)c1 ZINC000037398389 569297018 /nfs/dbraw/zinc/29/70/18/569297018.db2.gz SCFKJPAFQANUHE-UHFFFAOYSA-N 0 0 403.913 5.618 50 0 HKAARN CCC[C@@H](C(=O)Nc1ccc(F)cc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398392 569297031 /nfs/dbraw/zinc/29/70/31/569297031.db2.gz MYVCQGOYWBVHKN-QHCPKHFHSA-N 0 0 401.485 5.746 50 0 HKAARN CCC[C@H](C(=O)Nc1ccc(F)cc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398393 569296981 /nfs/dbraw/zinc/29/69/81/569296981.db2.gz MYVCQGOYWBVHKN-HSZRJFAPSA-N 0 0 401.485 5.746 50 0 HKAARN CCC[C@@H](C(=O)Nc1ccc(OC)cc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398394 569296996 /nfs/dbraw/zinc/29/69/96/569296996.db2.gz DIDZRMZUSVVXFH-DEOSSOPVSA-N 0 0 413.521 5.616 50 0 HKAARN CCC[C@H](C(=O)Nc1ccc(OC)cc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398395 569297048 /nfs/dbraw/zinc/29/70/48/569297048.db2.gz DIDZRMZUSVVXFH-XMMPIXPASA-N 0 0 413.521 5.616 50 0 HKAARN CCCNC(=O)[C@@H](CC)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398419 569297044 /nfs/dbraw/zinc/29/70/44/569297044.db2.gz SOUNOKKCOCFFLI-GOSISDBHSA-N 0 0 404.341 5.411 50 0 HKAARN CCCNC(=O)[C@H](CC)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398420 569296987 /nfs/dbraw/zinc/29/69/87/569296987.db2.gz SOUNOKKCOCFFLI-SFHVURJKSA-N 0 0 404.341 5.411 50 0 HKAARN Cc1cc2nc(Cc3ccccc3)n(Cc3ccc(C(=O)NC4CC4)cc3)c2cc1C ZINC000037398495 569296982 /nfs/dbraw/zinc/29/69/82/569296982.db2.gz WNUGRVXOOHAIMA-UHFFFAOYSA-N 0 0 409.533 5.184 50 0 HKAARN Cc1cc2nc(Cc3ccc(Cl)c(Cl)c3)n(CC(=O)NC(C)C)c2cc1C ZINC000037398501 569297015 /nfs/dbraw/zinc/29/70/15/569297015.db2.gz NQSIVWKMRLMBGB-UHFFFAOYSA-N 0 0 404.341 5.075 50 0 HKAARN CCCN(C)C(=O)Cn1c2cc(C)c(C)cc2nc1Cc1ccc(Cl)c(Cl)c1 ZINC000037398502 569296988 /nfs/dbraw/zinc/29/69/88/569296988.db2.gz CVEHBPPYKSRAEF-UHFFFAOYSA-N 0 0 418.368 5.419 50 0 HKAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NC3CC3)c2cc1C ZINC000037398509 569297003 /nfs/dbraw/zinc/29/70/03/569297003.db2.gz VCCDMPQARUOFEO-UHFFFAOYSA-N 0 0 416.352 5.219 50 0 HKAARN CC[C@@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398798 569297261 /nfs/dbraw/zinc/29/72/61/569297261.db2.gz KARRRVQYRBOYRH-QFIPXVFZSA-N 0 0 419.475 5.173 50 0 HKAARN CC[C@H](C(=O)NCc1ccc(F)cc1)n1c(Cc2ccc(F)cc2)nc2ccccc21 ZINC000037398799 569297254 /nfs/dbraw/zinc/29/72/54/569297254.db2.gz KARRRVQYRBOYRH-JOCHJYFZSA-N 0 0 419.475 5.173 50 0 HKAARN Cc1cc2nc(Cc3ccccc3)n(Cc3ccc(C(=O)N4CCCC4)cc3)c2cc1C ZINC000037398847 569297266 /nfs/dbraw/zinc/29/72/66/569297266.db2.gz YBBRJJASCQHMJR-UHFFFAOYSA-N 0 0 423.560 5.528 50 0 HKAARN CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2Cl)nc2cc(C)c(C)cc21 ZINC000037398851 569297224 /nfs/dbraw/zinc/29/72/24/569297224.db2.gz VPUCJXREIQJROK-UHFFFAOYSA-N 0 0 418.368 5.467 50 0 HKAARN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NC(C)C)c2cc1C ZINC000037398865 569297264 /nfs/dbraw/zinc/29/72/64/569297264.db2.gz ANSJUGPNKNTSJH-UHFFFAOYSA-N 0 0 418.368 5.465 50 0 HKAARN CCCNC(=O)Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C)c(C)cc21 ZINC000037398998 569297394 /nfs/dbraw/zinc/29/73/94/569297394.db2.gz BMEPIBDDHMHAFA-UHFFFAOYSA-N 0 0 404.341 5.077 50 0 HKAARN COc1ccc(-c2c(N)n(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1OC ZINC000037408027 558805041 /nfs/dbraw/zinc/80/50/41/558805041.db2.gz VSARPJKQTOQUSF-UHFFFAOYSA-N 0 0 405.885 5.459 50 0 HKAARN Cc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000037424028 569298515 /nfs/dbraw/zinc/29/85/15/569298515.db2.gz QKWSLZHJHWFNPI-QFIPXVFZSA-N 0 0 414.336 5.147 50 0 HKAARN Cc1ccc(NC(=O)CN2CCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000037424030 569298631 /nfs/dbraw/zinc/29/86/31/569298631.db2.gz QKWSLZHJHWFNPI-JOCHJYFZSA-N 0 0 414.336 5.147 50 0 HKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)c(Cl)c1 ZINC000037425884 569298598 /nfs/dbraw/zinc/29/85/98/569298598.db2.gz JDVBFLBUENKJMH-UHFFFAOYSA-N 0 0 417.679 6.707 50 0 HKAARN O=S(=O)(Oc1ccccc1-c1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000037426652 569298680 /nfs/dbraw/zinc/29/86/80/569298680.db2.gz ZKSPIKNCONIIRU-UHFFFAOYSA-N 0 0 419.380 5.281 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)c1 ZINC000037426981 569298660 /nfs/dbraw/zinc/29/86/60/569298660.db2.gz SMVLFSQXLFNUEH-MZLICYQSSA-N 0 0 401.554 5.711 50 0 HKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)c1 ZINC000037426985 569298683 /nfs/dbraw/zinc/29/86/83/569298683.db2.gz SMVLFSQXLFNUEH-JXALWOEJSA-N 0 0 401.554 5.711 50 0 HKAARN CCNC(=O)[C@H](CC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037438750 569299363 /nfs/dbraw/zinc/29/93/63/569299363.db2.gz DDOOXCXVVCBANY-FQEVSTJZSA-N 0 0 413.518 5.011 50 0 HKAARN CCNC(=O)[C@@H](CC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037438752 569299354 /nfs/dbraw/zinc/29/93/54/569299354.db2.gz DDOOXCXVVCBANY-HXUWFJFHSA-N 0 0 413.518 5.011 50 0 HKAARN COc1ccc(-c2csc(N(c3ccccc3Cl)[C@@H](C)C(=O)N(C)C)n2)cc1 ZINC000037439007 569299511 /nfs/dbraw/zinc/29/95/11/569299511.db2.gz MGQCNGQFKYWCNL-AWEZNQCLSA-N 0 0 415.946 5.087 50 0 HKAARN COc1ccc(-c2csc(N(c3ccccc3Cl)[C@H](C)C(=O)N(C)C)n2)cc1 ZINC000037439008 569299489 /nfs/dbraw/zinc/29/94/89/569299489.db2.gz MGQCNGQFKYWCNL-CQSZACIVSA-N 0 0 415.946 5.087 50 0 HKAARN O=C(c1ccccc1F)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439094 569299502 /nfs/dbraw/zinc/29/95/02/569299502.db2.gz PHLFGOZKYJNUQD-SFHVURJKSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1ccccc1F)N(Cc1ccccc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439096 569299534 /nfs/dbraw/zinc/29/95/34/569299534.db2.gz PHLFGOZKYJNUQD-GOSISDBHSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(C1CC1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439170 569299455 /nfs/dbraw/zinc/29/94/55/569299455.db2.gz BSHIXXXCWYKKRU-INIZCTEOSA-N 0 0 421.299 5.064 50 0 HKAARN O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439173 569299505 /nfs/dbraw/zinc/29/95/05/569299505.db2.gz BSHIXXXCWYKKRU-MRXNPFEDSA-N 0 0 421.299 5.064 50 0 HKAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@@H](C)C(=O)N1CCCC1 ZINC000037439498 569299456 /nfs/dbraw/zinc/29/94/56/569299456.db2.gz FBHXRBJIBROQBM-SFHVURJKSA-N 0 0 421.566 5.276 50 0 HKAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@H](C)C(=O)N1CCCC1 ZINC000037439501 569299468 /nfs/dbraw/zinc/29/94/68/569299468.db2.gz FBHXRBJIBROQBM-GOSISDBHSA-N 0 0 421.566 5.276 50 0 HKAARN CC(C)C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439591 569299523 /nfs/dbraw/zinc/29/95/23/569299523.db2.gz HUBCIDNCZNMTDW-KRWDZBQOSA-N 0 0 423.315 5.310 50 0 HKAARN CC(C)C(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037439593 569299486 /nfs/dbraw/zinc/29/94/86/569299486.db2.gz HUBCIDNCZNMTDW-QGZVFWFLSA-N 0 0 423.315 5.310 50 0 HKAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439717 559249030 /nfs/dbraw/zinc/24/90/30/559249030.db2.gz UGTOQNCTXFIVCL-INIZCTEOSA-N 0 0 424.850 5.291 50 0 HKAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037439720 559249003 /nfs/dbraw/zinc/24/90/03/559249003.db2.gz UGTOQNCTXFIVCL-MRXNPFEDSA-N 0 0 424.850 5.291 50 0 HKAARN O=C(C1CC1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440134 569299621 /nfs/dbraw/zinc/29/96/21/569299621.db2.gz RGWNDBLXIQWBQT-KRWDZBQOSA-N 0 0 421.299 5.064 50 0 HKAARN O=C(C1CC1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440137 569299578 /nfs/dbraw/zinc/29/95/78/569299578.db2.gz RGWNDBLXIQWBQT-QGZVFWFLSA-N 0 0 421.299 5.064 50 0 HKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440228 569299570 /nfs/dbraw/zinc/29/95/70/569299570.db2.gz ZJKZSQQIUKCAFR-IBGZPJMESA-N 0 0 422.422 5.022 50 0 HKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440231 569299572 /nfs/dbraw/zinc/29/95/72/569299572.db2.gz ZJKZSQQIUKCAFR-LJQANCHMSA-N 0 0 422.422 5.022 50 0 HKAARN COc1ccc(-c2csc(N(c3cccc(C)c3)[C@@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037440340 569299603 /nfs/dbraw/zinc/29/96/03/569299603.db2.gz GPQAXWAPOOSQKH-SFHVURJKSA-N 0 0 421.566 5.276 50 0 HKAARN COc1ccc(-c2csc(N(c3cccc(C)c3)[C@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037440343 569299587 /nfs/dbraw/zinc/29/95/87/569299587.db2.gz GPQAXWAPOOSQKH-GOSISDBHSA-N 0 0 421.566 5.276 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440514 569299573 /nfs/dbraw/zinc/29/95/73/569299573.db2.gz GIPFCKJGOCUHGQ-FQEVSTJZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440516 569299598 /nfs/dbraw/zinc/29/95/98/569299598.db2.gz GIPFCKJGOCUHGQ-HXUWFJFHSA-N 0 0 422.887 5.315 50 0 HKAARN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cccs3)C2)cc1 ZINC000037440569 569299562 /nfs/dbraw/zinc/29/95/62/569299562.db2.gz BKKUYRSELFMLJP-FQEVSTJZSA-N 0 0 424.953 5.546 50 0 HKAARN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)c3cccs3)C2)cc1 ZINC000037440572 569299565 /nfs/dbraw/zinc/29/95/65/569299565.db2.gz BKKUYRSELFMLJP-HXUWFJFHSA-N 0 0 424.953 5.546 50 0 HKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441135 569299615 /nfs/dbraw/zinc/29/96/15/569299615.db2.gz JOWMALQMLNGASI-IBGZPJMESA-N 0 0 422.422 5.022 50 0 HKAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441138 569299605 /nfs/dbraw/zinc/29/96/05/569299605.db2.gz JOWMALQMLNGASI-LJQANCHMSA-N 0 0 422.422 5.022 50 0 HKAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441503 569299574 /nfs/dbraw/zinc/29/95/74/569299574.db2.gz CQUAWUUOXNZJGC-INIZCTEOSA-N 0 0 424.850 5.291 50 0 HKAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037441505 569299576 /nfs/dbraw/zinc/29/95/76/569299576.db2.gz CQUAWUUOXNZJGC-MRXNPFEDSA-N 0 0 424.850 5.291 50 0 HKAARN O=C(c1ccccc1F)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441593 569299571 /nfs/dbraw/zinc/29/95/71/569299571.db2.gz LOJFXGDQGFBGKQ-FQEVSTJZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1ccccc1F)N(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441595 569299566 /nfs/dbraw/zinc/29/95/66/569299566.db2.gz LOJFXGDQGFBGKQ-HXUWFJFHSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441598 569299717 /nfs/dbraw/zinc/29/97/17/569299717.db2.gz FVLNAVHEOPIPME-QFIPXVFZSA-N 0 0 422.887 5.315 50 0 HKAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037441601 569299683 /nfs/dbraw/zinc/29/96/83/569299683.db2.gz FVLNAVHEOPIPME-JOCHJYFZSA-N 0 0 422.887 5.315 50 0 HKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2Cl)C(=O)c2cccs2)C1 ZINC000037442390 569299763 /nfs/dbraw/zinc/29/97/63/569299763.db2.gz CADICNVTSGEPOS-SFHVURJKSA-N 0 0 424.953 5.546 50 0 HKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2Cl)C(=O)c2cccs2)C1 ZINC000037442393 569299761 /nfs/dbraw/zinc/29/97/61/569299761.db2.gz CADICNVTSGEPOS-GOSISDBHSA-N 0 0 424.953 5.546 50 0 HKAARN Cc1ccc(CSc2nc(Oc3ccc(C(C)C)cc3)cc(C(F)(F)F)n2)cc1 ZINC000037509507 569301824 /nfs/dbraw/zinc/30/18/24/569301824.db2.gz NEUODNVYTDQLOI-UHFFFAOYSA-N 0 0 418.484 7.012 50 0 HKAARN COc1ccccc1Oc1cc(C(F)(F)F)nc(SCc2ccc(C)cc2)n1 ZINC000037509509 569301834 /nfs/dbraw/zinc/30/18/34/569301834.db2.gz CJXHQHPPNASDFG-UHFFFAOYSA-N 0 0 406.429 5.897 50 0 HKAARN Cc1cccc(CSc2nc(Oc3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 ZINC000037509520 569301798 /nfs/dbraw/zinc/30/17/98/569301798.db2.gz FHVFSOPVOZSGJT-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN Cc1cccc(CSc2nc(Oc3ccc(C)c(C)c3)cc(C(F)(F)F)n2)c1 ZINC000037509522 569301803 /nfs/dbraw/zinc/30/18/03/569301803.db2.gz FHNWZRQPXDAAGI-UHFFFAOYSA-N 0 0 404.457 6.505 50 0 HKAARN CC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C)c3)n2)cc1 ZINC000037509526 558805346 /nfs/dbraw/zinc/80/53/46/558805346.db2.gz ZXHFGPXJBRMWOE-UHFFFAOYSA-N 0 0 418.440 6.091 50 0 HKAARN Fc1ccccc1Oc1cc(C(F)(F)F)nc(SCc2cccc(Cl)c2)n1 ZINC000037509532 569301861 /nfs/dbraw/zinc/30/18/61/569301861.db2.gz XFFGUDRNSHDIKE-UHFFFAOYSA-N 0 0 414.811 6.373 50 0 HKAARN COc1cc(C)ccc1Oc1cc(C(F)(F)F)nc(SCc2ccccc2C)n1 ZINC000037509534 569301805 /nfs/dbraw/zinc/30/18/05/569301805.db2.gz YLCYYWQVAQKGPS-UHFFFAOYSA-N 0 0 420.456 6.205 50 0 HKAARN Cc1ccccc1CSc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1 ZINC000037509536 569301807 /nfs/dbraw/zinc/30/18/07/569301807.db2.gz MZRRDANHNGZQSF-UHFFFAOYSA-N 0 0 412.383 6.167 50 0 HKAARN Cc1cc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3C)n2)ccc1Cl ZINC000037509538 569301817 /nfs/dbraw/zinc/30/18/17/569301817.db2.gz HCGALAGPLFNJPW-UHFFFAOYSA-N 0 0 424.875 6.850 50 0 HKAARN Cc1ccccc1CSc1nc(Oc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000037509540 569301816 /nfs/dbraw/zinc/30/18/16/569301816.db2.gz QSTWGCKLSUNMCA-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN Cc1cc(C)cc(Oc2cc(C(F)(F)F)nc(SCc3cccc(F)c3)n2)c1 ZINC000037509544 569301840 /nfs/dbraw/zinc/30/18/40/569301840.db2.gz VHFRCGUFYJRKHF-UHFFFAOYSA-N 0 0 408.420 6.336 50 0 HKAARN Fc1cccc(CSc2nc(Oc3ccc(F)cc3F)cc(C(F)(F)F)n2)c1 ZINC000037509547 569301849 /nfs/dbraw/zinc/30/18/49/569301849.db2.gz MYTJABOKTYNZRZ-UHFFFAOYSA-N 0 0 416.346 5.997 50 0 HKAARN Cc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccc(F)c(F)c3)n2)c1 ZINC000037509564 569301866 /nfs/dbraw/zinc/30/18/66/569301866.db2.gz UHDLVKNPAODLPS-UHFFFAOYSA-N 0 0 412.383 6.167 50 0 HKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3ccc(F)c(F)c3)n2)cc1 ZINC000037509566 569301886 /nfs/dbraw/zinc/30/18/86/569301886.db2.gz OBPVYDKHTJOIPK-UHFFFAOYSA-N 0 0 412.383 6.167 50 0 HKAARN CC(C)(C)c1cc(Oc2ccccc2Cl)nc(SCc2ccc(F)cc2)n1 ZINC000037509568 559249417 /nfs/dbraw/zinc/24/94/17/559249417.db2.gz YYIYISYIIHLBRG-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN Cc1ccc(Oc2cc(C(C)(C)C)nc(SCc3cccc(Cl)c3)n2)cc1C ZINC000037509584 569301842 /nfs/dbraw/zinc/30/18/42/569301842.db2.gz TYCIXPDKVQQAFX-UHFFFAOYSA-N 0 0 412.986 7.129 50 0 HKAARN Cc1cc(C)cc(Oc2cc(C(C)(C)C)nc(SCc3ccccc3Cl)n2)c1 ZINC000037509590 569301855 /nfs/dbraw/zinc/30/18/55/569301855.db2.gz BGZWUYRJWMDYOZ-UHFFFAOYSA-N 0 0 412.986 7.129 50 0 HKAARN CC(C)(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2ccccc2Cl)n1 ZINC000037509592 569301806 /nfs/dbraw/zinc/30/18/06/569301806.db2.gz BNATZYBLWBAFLD-UHFFFAOYSA-N 0 0 420.912 6.790 50 0 HKAARN CC(C)(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2ccccc2Cl)n1 ZINC000037509594 569301921 /nfs/dbraw/zinc/30/19/21/569301921.db2.gz UOFDPDHEUFYUFR-UHFFFAOYSA-N 0 0 419.377 7.166 50 0 HKAARN CC(C)(C)c1cc(Oc2ccc(F)cc2)nc(SCc2ccccc2Cl)n1 ZINC000037509597 569301994 /nfs/dbraw/zinc/30/19/94/569301994.db2.gz HWRKPAABYPATFP-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN CC(C)(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2c(F)cccc2F)n1 ZINC000037509601 569301924 /nfs/dbraw/zinc/30/19/24/569301924.db2.gz RYLMIPZMBUDELI-UHFFFAOYSA-N 0 0 420.912 6.790 50 0 HKAARN Cc1cccc(Oc2cc(C(C)(C)C)nc(SCc3c(F)cccc3F)n2)c1C ZINC000037509603 569301925 /nfs/dbraw/zinc/30/19/25/569301925.db2.gz FJXZSWJCSBNVEO-UHFFFAOYSA-N 0 0 414.521 6.754 50 0 HKAARN Cc1ccc(Oc2cc(C)nc(SCc3ccc(C(F)(F)F)cc3)n2)c(C)c1 ZINC000037509605 569301968 /nfs/dbraw/zinc/30/19/68/569301968.db2.gz AKTNMVDLZDTJAM-UHFFFAOYSA-N 0 0 404.457 6.505 50 0 HKAARN Cc1ccc(CSc2nc(Oc3cc(C)cc(C)c3)cc(C(F)(F)F)n2)cc1 ZINC000037509661 569302291 /nfs/dbraw/zinc/30/22/91/569302291.db2.gz ZMOSEWACKMSYPQ-UHFFFAOYSA-N 0 0 404.457 6.505 50 0 HKAARN Cc1ccc(CSc2nc(Oc3ccccc3Cl)cc(C(F)(F)F)n2)cc1 ZINC000037509663 569302292 /nfs/dbraw/zinc/30/22/92/569302292.db2.gz DBUJCUODFJEHAU-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN Cc1ccc(CSc2nc(Oc3ccc(F)cc3F)cc(C(F)(F)F)n2)cc1 ZINC000037509665 569302293 /nfs/dbraw/zinc/30/22/93/569302293.db2.gz AWKUCMAEPROHJT-UHFFFAOYSA-N 0 0 412.383 6.167 50 0 HKAARN Cc1ccc(CSc2nc(Oc3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)cc1 ZINC000037509667 569302344 /nfs/dbraw/zinc/30/23/44/569302344.db2.gz PNXXQSYGCGDSJJ-UHFFFAOYSA-N 0 0 420.412 5.617 50 0 HKAARN Cc1ccc(CSc2nc(Oc3cccc(Cl)c3)cc(C(F)(F)F)n2)cc1 ZINC000037509669 569302357 /nfs/dbraw/zinc/30/23/57/569302357.db2.gz KNUQURJZKRVDOR-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN Cc1cccc(CSc2nc(Oc3ccccc3Cl)cc(C(F)(F)F)n2)c1 ZINC000037509673 569302355 /nfs/dbraw/zinc/30/23/55/569302355.db2.gz SHPUMRYOLDISKA-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN Cc1cccc(CSc2nc(Oc3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)c1 ZINC000037509676 569302311 /nfs/dbraw/zinc/30/23/11/569302311.db2.gz VCBHMOHNJVLHGP-UHFFFAOYSA-N 0 0 420.412 5.617 50 0 HKAARN COc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C)c3)n2)cc1 ZINC000037509678 569302358 /nfs/dbraw/zinc/30/23/58/569302358.db2.gz ZGLPHGXIDLFGFG-UHFFFAOYSA-N 0 0 406.429 5.897 50 0 HKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(Cl)c3)n2)cc1 ZINC000037509691 569302316 /nfs/dbraw/zinc/30/23/16/569302316.db2.gz ZPHOGQHSYCEPBH-UHFFFAOYSA-N 0 0 410.848 6.542 50 0 HKAARN COc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3C)n2)c1 ZINC000037509693 558805389 /nfs/dbraw/zinc/80/53/89/558805389.db2.gz ADYXJXFKJJMKMD-UHFFFAOYSA-N 0 0 406.429 5.897 50 0 HKAARN CCc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3C)n2)c1 ZINC000037509696 558805330 /nfs/dbraw/zinc/80/53/30/558805330.db2.gz BPZXEYCIYAJQEM-UHFFFAOYSA-N 0 0 404.457 6.451 50 0 HKAARN COc1ccccc1Oc1cc(C(F)(F)F)nc(SCc2ccccc2C)n1 ZINC000037509698 558805336 /nfs/dbraw/zinc/80/53/36/558805336.db2.gz GDKPSTIWKYSRSB-UHFFFAOYSA-N 0 0 406.429 5.897 50 0 HKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3C)n2)c(C)c1 ZINC000037509701 569302350 /nfs/dbraw/zinc/30/23/50/569302350.db2.gz LMBRFWWPXJBEEN-UHFFFAOYSA-N 0 0 404.457 6.505 50 0 HKAARN CC(C)(C)c1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 ZINC000037509709 569302295 /nfs/dbraw/zinc/30/22/95/569302295.db2.gz TUVDTMMTGPGQJM-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN COc1cc(C)ccc1Oc1cc(C(C)(C)C)nc(SCc2ccc(F)cc2)n1 ZINC000037509711 569302347 /nfs/dbraw/zinc/30/23/47/569302347.db2.gz BTNVFKFHERFVIO-UHFFFAOYSA-N 0 0 412.530 6.315 50 0 HKAARN CC(C)c1cccc(Oc2cc(C(C)(C)C)nc(SCc3ccc(F)cc3)n2)c1 ZINC000037509713 569302332 /nfs/dbraw/zinc/30/23/32/569302332.db2.gz BXYITYSIVPQSIU-UHFFFAOYSA-N 0 0 410.558 7.121 50 0 HKAARN Cc1cc(Oc2cc(C(C)(C)C)nc(SCc3ccc(F)cc3)n2)ccc1Cl ZINC000037509715 569302319 /nfs/dbraw/zinc/30/23/19/569302319.db2.gz RJGMYFTXJKDEHH-UHFFFAOYSA-N 0 0 416.949 6.960 50 0 HKAARN Cc1cc(C)cc(Oc2cc(C(C)(C)C)nc(SCc3cccc(Cl)c3)n2)c1 ZINC000037509722 569302303 /nfs/dbraw/zinc/30/23/03/569302303.db2.gz FQMRSNRGWCQPQA-UHFFFAOYSA-N 0 0 412.986 7.129 50 0 HKAARN CC(C)(C)c1cc(Oc2ccccc2Cl)nc(SCc2cccc(Cl)c2)n1 ZINC000037509724 558805569 /nfs/dbraw/zinc/80/55/69/558805569.db2.gz YANRFJZNFMEBQC-UHFFFAOYSA-N 0 0 419.377 7.166 50 0 HKAARN COc1ccc(Oc2cc(C(C)(C)C)nc(SCc3cccc(Cl)c3)n2)cc1 ZINC000037509729 569302297 /nfs/dbraw/zinc/30/22/97/569302297.db2.gz IVRSRKAVGSJZRV-UHFFFAOYSA-N 0 0 414.958 6.521 50 0 HKAARN CC(C)(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2cccc(Cl)c2)n1 ZINC000037509732 558805585 /nfs/dbraw/zinc/80/55/85/558805585.db2.gz 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CC(C)(C)c1cc(Oc2ccccc2F)nc(SCc2cccc(Cl)c2)n1 ZINC000037509818 569302312 /nfs/dbraw/zinc/30/23/12/569302312.db2.gz FITXIZHFICXQQQ-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN CC(C)(C)c1cc(Oc2cccc(F)c2)nc(SCc2cccc(Cl)c2)n1 ZINC000037509820 569302416 /nfs/dbraw/zinc/30/24/16/569302416.db2.gz BFWAPFDJHLAWKI-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN CC(C)(C)c1cc(Oc2ccc(F)cc2)nc(SCc2cccc(Cl)c2)n1 ZINC000037509822 569302440 /nfs/dbraw/zinc/30/24/40/569302440.db2.gz HENDOWSSUYRVDS-UHFFFAOYSA-N 0 0 402.922 6.651 50 0 HKAARN CC(C)c1ccc(Oc2cc(C(F)(F)F)nc(SCc3ccccc3F)n2)cc1 ZINC000037509828 558805552 /nfs/dbraw/zinc/80/55/52/558805552.db2.gz NDNXNHNAEWBNGQ-UHFFFAOYSA-N 0 0 422.447 6.843 50 0 HKAARN COc1cc(C)ccc1Oc1cc(C(F)(F)F)nc(SCc2ccc(C)cc2)n1 ZINC000037509832 559249478 /nfs/dbraw/zinc/24/94/78/559249478.db2.gz GHPHCQHPFRQJNS-UHFFFAOYSA-N 0 0 420.456 6.205 50 0 HKAARN CCc1cccc(Oc2cc(C(F)(F)F)nc(SCc3ccc(C)cc3)n2)c1 ZINC000037509834 569302390 /nfs/dbraw/zinc/30/23/90/569302390.db2.gz 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ZINC000037553611 569306054 /nfs/dbraw/zinc/30/60/54/569306054.db2.gz YZKCMULLCBDQEU-FCHUYYIVSA-N 0 0 412.489 5.904 50 0 HKAARN COc1cc(-c2noc([C@H]3C[C@H]3c3ccccc3)n2)ccc1OCc1ccccc1C ZINC000037553612 569306034 /nfs/dbraw/zinc/30/60/34/569306034.db2.gz YZKCMULLCBDQEU-VXKWHMMOSA-N 0 0 412.489 5.904 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4cccc(C)c4)c(OC)c3)no2)cc1 ZINC000037553638 569306057 /nfs/dbraw/zinc/30/60/57/569306057.db2.gz UBJAYXPKAUDPQB-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1cc(-c2noc(C3CCCCC3)n2)ccc1OCc1c(F)cccc1F ZINC000037553651 569306020 /nfs/dbraw/zinc/30/60/20/569306020.db2.gz VIHCKARLRHDCDD-UHFFFAOYSA-N 0 0 400.425 5.650 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccc(F)cc4F)c(OC)c3)no2)cc1 ZINC000037553652 569306000 /nfs/dbraw/zinc/30/60/00/569306000.db2.gz DEAKHSMOUSVYDM-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCc1ccc(F)cc1F ZINC000037553653 569306028 /nfs/dbraw/zinc/30/60/28/569306028.db2.gz XSGDOQNGUQWWAP-UHFFFAOYSA-N 0 0 408.404 5.578 50 0 HKAARN COc1cc(-c2noc(C3CCCCC3)n2)ccc1OCc1ccc(F)c(F)c1 ZINC000037553769 569306027 /nfs/dbraw/zinc/30/60/27/569306027.db2.gz ZTSMZTJZYDDOPF-UHFFFAOYSA-N 0 0 400.425 5.650 50 0 HKAARN COc1ccccc1-c1nc(-c2ccc(O[C@@H](C)c3ccccc3)c(OC)c2)no1 ZINC000037553774 569306019 /nfs/dbraw/zinc/30/60/19/569306019.db2.gz MVLITXZODQWPOJ-INIZCTEOSA-N 0 0 402.450 5.561 50 0 HKAARN COc1ccccc1-c1nc(-c2ccc(O[C@H](C)c3ccccc3)c(OC)c2)no1 ZINC000037553775 569306035 /nfs/dbraw/zinc/30/60/35/569306035.db2.gz MVLITXZODQWPOJ-MRXNPFEDSA-N 0 0 402.450 5.561 50 0 HKAARN COc1cc(-c2noc(C3CCCCC3)n2)ccc1OCc1ccc(F)cc1F ZINC000037554112 569306227 /nfs/dbraw/zinc/30/62/27/569306227.db2.gz PHDGTFRAUXKFAR-UHFFFAOYSA-N 0 0 400.425 5.650 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4F)c(OC)c3)no2)cc1 ZINC000037554113 569306206 /nfs/dbraw/zinc/30/62/06/569306206.db2.gz KNCJOLZSDWTICS-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN CC(C)c1ccc(CNc2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000037554874 569306305 /nfs/dbraw/zinc/30/63/05/569306305.db2.gz VMWQCBFRHJPCKS-UHFFFAOYSA-N 0 0 416.521 5.010 50 0 HKAARN O=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCc1ccc(F)cc1 ZINC000037554878 569306289 /nfs/dbraw/zinc/30/62/89/569306289.db2.gz NWAHLSVNVZCHNC-UHFFFAOYSA-N 0 0 416.418 5.316 50 0 HKAARN Cc1cccc(NC(=O)Cc2ccc(NCc3cccc(Oc4ccccc4)c3)cc2)c1 ZINC000037555025 559254818 /nfs/dbraw/zinc/25/48/18/559254818.db2.gz QSIQHSPSRMJMNK-UHFFFAOYSA-N 0 0 422.528 6.581 50 0 HKAARN O=C(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)NCc1ccccc1 ZINC000037555050 569306270 /nfs/dbraw/zinc/30/62/70/569306270.db2.gz OAEKBZRWGYHFAQ-UHFFFAOYSA-N 0 0 422.528 5.950 50 0 HKAARN O=C(Cc1ccc(NCc2ccccc2F)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000037555053 569306316 /nfs/dbraw/zinc/30/63/16/569306316.db2.gz JZHQOINJIXJHER-UHFFFAOYSA-N 0 0 416.418 5.316 50 0 HKAARN CC(C)(C)c1ccc(CNc2ccc(CC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000037555073 569306319 /nfs/dbraw/zinc/30/63/19/569306319.db2.gz ASWDCMFGBNXHGM-UHFFFAOYSA-N 0 0 412.577 5.724 50 0 HKAARN CC(C)(C)c1ccc(CNc2ccc(CC(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000037555149 569306290 /nfs/dbraw/zinc/30/62/90/569306290.db2.gz TYXSMNIKGJRKPA-UHFFFAOYSA-N 0 0 404.529 5.594 50 0 HKAARN O=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)N1CCc2ccccc2C1 ZINC000037555151 569306295 /nfs/dbraw/zinc/30/62/95/569306295.db2.gz BMMWOSLTNGTJBQ-UHFFFAOYSA-N 0 0 424.466 5.445 50 0 HKAARN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037555332 559254968 /nfs/dbraw/zinc/25/49/68/559254968.db2.gz ITGSITDSJGNJPM-UHFFFAOYSA-N 0 0 418.512 5.048 50 0 HKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NC1CC1 ZINC000037555459 559254896 /nfs/dbraw/zinc/25/48/96/559254896.db2.gz OOJRFXVTHUXKRK-UHFFFAOYSA-N 0 0 418.924 5.008 50 0 HKAARN CC(C)NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037555747 569306367 /nfs/dbraw/zinc/30/63/67/569306367.db2.gz ZVUXBYVXVQHBNV-OBGWFSINSA-N 0 0 412.533 5.000 50 0 HKAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)Nc2ccccc2)cc1 ZINC000037555771 559255069 /nfs/dbraw/zinc/25/50/69/559255069.db2.gz UUSJINCNMOBSPZ-UHFFFAOYSA-N 0 0 418.512 5.586 50 0 HKAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)Nc2cccc(C)c2)cc1 ZINC000037555886 559255012 /nfs/dbraw/zinc/25/50/12/559255012.db2.gz ZABCADYNFRKPSW-UHFFFAOYSA-N 0 0 400.522 5.428 50 0 HKAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037556098 569306354 /nfs/dbraw/zinc/30/63/54/569306354.db2.gz NREJHWZADOHPRN-UHFFFAOYSA-N 0 0 412.533 5.007 50 0 HKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)Nc2ccccc2)cc1 ZINC000037556224 559255165 /nfs/dbraw/zinc/25/51/65/559255165.db2.gz SUNDLWMLSJEVJA-UHFFFAOYSA-N 0 0 414.549 5.756 50 0 HKAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000037556229 569306386 /nfs/dbraw/zinc/30/63/86/569306386.db2.gz ZPWHYASHJVKVPL-UHFFFAOYSA-N 0 0 410.473 5.308 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000037556241 569306372 /nfs/dbraw/zinc/30/63/72/569306372.db2.gz QYGJYNHFJKMTJJ-UHFFFAOYSA-N 0 0 416.521 5.128 50 0 HKAARN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037556246 559255178 /nfs/dbraw/zinc/25/51/78/559255178.db2.gz ZOZDFDHQLBWCLX-UHFFFAOYSA-N 0 0 414.549 5.218 50 0 HKAARN CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000037556306 569306368 /nfs/dbraw/zinc/30/63/68/569306368.db2.gz FJJFVTLBYYGLPG-UHFFFAOYSA-N 0 0 424.903 5.005 50 0 HKAARN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NC(C)C)cc1 ZINC000037556317 569306388 /nfs/dbraw/zinc/30/63/88/569306388.db2.gz CCNFCFRSWVQDET-UHFFFAOYSA-N 0 0 418.512 5.048 50 0 HKAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000037556445 559255140 /nfs/dbraw/zinc/25/51/40/559255140.db2.gz UJNKZLZKPKSQJI-UHFFFAOYSA-N 0 0 412.533 5.428 50 0 HKAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 ZINC000037556528 569306359 /nfs/dbraw/zinc/30/63/59/569306359.db2.gz HEQBVMJHBWDLET-UHFFFAOYSA-N 0 0 414.549 5.106 50 0 HKAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)N2CCCC2)cc1 ZINC000037556604 569306345 /nfs/dbraw/zinc/30/63/45/569306345.db2.gz YDZHLVYTAJSOBH-UHFFFAOYSA-N 0 0 418.562 5.068 50 0 HKAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCc2ccco2)cc1 ZINC000037556687 559255155 /nfs/dbraw/zinc/25/51/55/559255155.db2.gz BIVDWHHRUCRXIE-UHFFFAOYSA-N 0 0 418.537 5.026 50 0 HKAARN Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)C3CC3)cc2)c1 ZINC000037556785 569306466 /nfs/dbraw/zinc/30/64/66/569306466.db2.gz RHSOPYQRGSDAJC-UHFFFAOYSA-N 0 0 416.496 5.259 50 0 HKAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2cccc(C)c2)cc1 ZINC000037556868 569306513 /nfs/dbraw/zinc/30/65/13/569306513.db2.gz AWKFHNDJFYVPQG-UHFFFAOYSA-N 0 0 400.522 5.428 50 0 HKAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)N2CCCC2)cc1 ZINC000037557007 559255180 /nfs/dbraw/zinc/25/51/80/559255180.db2.gz IBLWNSPFWIILEZ-UHFFFAOYSA-N 0 0 412.533 5.007 50 0 HKAARN CC(C)CC(=O)N(Cc1ccccc1)c1ccc(CC(=O)N(C)Cc2ccco2)cc1 ZINC000037557064 569306461 /nfs/dbraw/zinc/30/64/61/569306461.db2.gz SEVNMYMIDCYSIW-UHFFFAOYSA-N 0 0 418.537 5.060 50 0 HKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1 ZINC000037557078 559255277 /nfs/dbraw/zinc/25/52/77/559255277.db2.gz GFSFLGGIGVFRMT-UHFFFAOYSA-N 0 0 418.512 5.084 50 0 HKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1 ZINC000037557141 569306457 /nfs/dbraw/zinc/30/64/57/569306457.db2.gz LVKZVDNSSQGRKH-UHFFFAOYSA-N 0 0 418.512 5.084 50 0 HKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2cccs2)cc1 ZINC000037557513 569306451 /nfs/dbraw/zinc/30/64/51/569306451.db2.gz MBVLLQJLNXGMMK-UHFFFAOYSA-N 0 0 420.578 5.314 50 0 HKAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037557719 559255250 /nfs/dbraw/zinc/25/52/50/559255250.db2.gz TYHPPIMZROSGRM-UHFFFAOYSA-N 0 0 418.562 5.068 50 0 HKAARN CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1 ZINC000037557859 569306537 /nfs/dbraw/zinc/30/65/37/569306537.db2.gz GHBOCZLHQREPMB-UHFFFAOYSA-N 0 0 424.541 5.145 50 0 HKAARN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037559570 569306799 /nfs/dbraw/zinc/30/67/99/569306799.db2.gz TYBODUSGHCYYQP-UHFFFAOYSA-N 0 0 424.466 5.415 50 0 HKAARN O=C(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037559860 569306821 /nfs/dbraw/zinc/30/68/21/569306821.db2.gz AFJRUFRUZBVKTJ-UHFFFAOYSA-N 0 0 424.466 5.415 50 0 HKAARN O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037559870 569306826 /nfs/dbraw/zinc/30/68/26/569306826.db2.gz MAJDZZSETODNQM-UHFFFAOYSA-N 0 0 412.505 5.338 50 0 HKAARN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037559917 569306978 /nfs/dbraw/zinc/30/69/78/569306978.db2.gz RZLSJZNUOYOQGB-UHFFFAOYSA-N 0 0 404.476 5.148 50 0 HKAARN O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037560244 569306932 /nfs/dbraw/zinc/30/69/32/569306932.db2.gz VUGPEFYITKYHML-UHFFFAOYSA-N 0 0 406.476 5.276 50 0 HKAARN COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC000037560504 569307063 /nfs/dbraw/zinc/30/70/63/569307063.db2.gz CHODCBJWOMUHHX-UHFFFAOYSA-N 0 0 416.512 5.017 50 0 HKAARN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037572189 569307428 /nfs/dbraw/zinc/30/74/28/569307428.db2.gz RZDLBJFFGGPKBT-UHFFFAOYSA-N 0 0 404.476 5.210 50 0 HKAARN C[C@H](NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000037579915 569308120 /nfs/dbraw/zinc/30/81/20/569308120.db2.gz VUSNZBDBBMLWRH-IBGZPJMESA-N 0 0 418.500 5.554 50 0 HKAARN C[C@@H](NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000037579917 569308137 /nfs/dbraw/zinc/30/81/37/569308137.db2.gz VUSNZBDBBMLWRH-LJQANCHMSA-N 0 0 418.500 5.554 50 0 HKAARN O=C(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037580700 568460053 /nfs/dbraw/zinc/46/00/53/568460053.db2.gz XRWRYXYYPCMINK-UHFFFAOYSA-N 0 0 424.466 5.415 50 0 HKAARN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580702 569308094 /nfs/dbraw/zinc/30/80/94/569308094.db2.gz YCOUTWKUARFTII-UHFFFAOYSA-N 0 0 420.503 5.585 50 0 HKAARN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037580709 569308059 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HKAARN O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000038205023 568978945 /nfs/dbraw/zinc/97/89/45/568978945.db2.gz FBACXHMGPAJOMQ-OZSJSUFWSA-N 0 0 408.501 6.116 50 0 HKAARN O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000038205024 568978972 /nfs/dbraw/zinc/97/89/72/568978972.db2.gz FBACXHMGPAJOMQ-MKSZJSKZSA-N 0 0 408.501 6.116 50 0 HKAARN CC(C)(C)C/C(=C\c1ccc(Cl)cc1Cl)NC(=O)[C@H](NC=O)c1ccccc1 ZINC000038206418 568979179 /nfs/dbraw/zinc/97/91/79/568979179.db2.gz HKNZBKNZVITPEI-BUDOKORBSA-N 0 0 419.352 5.374 50 0 HKAARN CC(C)(C)C/C(=C\c1ccc(Cl)cc1Cl)NC(=O)[C@@H](NC=O)c1ccccc1 ZINC000038206419 568979182 /nfs/dbraw/zinc/97/91/82/568979182.db2.gz HKNZBKNZVITPEI-OBXYEHHASA-N 0 0 419.352 5.374 50 0 HKAARN CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000038253524 569052295 /nfs/dbraw/zinc/05/22/95/569052295.db2.gz HCXVJBMSMIARIN-JIABODFNSA-N 0 0 412.702 7.801 50 0 HKAARN C[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038253711 558811285 /nfs/dbraw/zinc/81/12/85/558811285.db2.gz AWBAPOAGBOTVOQ-ZBEGNZNMSA-N 0 0 421.337 5.073 50 0 HKAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000038303648 569358107 /nfs/dbraw/zinc/35/81/07/569358107.db2.gz DQHKOPGHSPUDFM-ZYGYHXLTSA-N 0 0 400.559 5.718 50 0 HKAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000038303652 569358121 /nfs/dbraw/zinc/35/81/21/569358121.db2.gz DQHKOPGHSPUDFM-FHYNQAAESA-N 0 0 400.559 5.718 50 0 HKAARN CCn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000038306716 569358065 /nfs/dbraw/zinc/35/80/65/569358065.db2.gz IKSAIBRTZFZGMG-AYDOMQLQSA-N 0 0 408.586 5.098 50 0 biogenic HKAARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C ZINC000038316072 569358104 /nfs/dbraw/zinc/35/81/04/569358104.db2.gz DRNZIQCLIKZYPJ-NRKQVLNHSA-N 0 0 422.613 5.406 50 0 biogenic HKAARN COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038334056 571317587 /nfs/dbraw/zinc/31/75/87/571317587.db2.gz NMYROXPSKHHTLY-WZWQWTGRSA-N 0 0 402.575 5.306 50 0 HKAARN CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000038337286 568987751 /nfs/dbraw/zinc/98/77/51/568987751.db2.gz LPIXSKJJCANUQD-QNEBEIHSSA-N 0 0 422.565 7.288 50 0 in-vitro HKAARN Brc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000038344219 568988100 /nfs/dbraw/zinc/98/81/00/568988100.db2.gz BJRNWMAHGVVRGU-UHFFFAOYSA-N 0 0 415.294 5.845 50 0 HKAARN S=C(NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000038460071 558811426 /nfs/dbraw/zinc/81/14/26/558811426.db2.gz WLOXAUTXAOGCCI-UHFFFAOYSA-N 0 0 408.570 6.030 50 0 HKAARN Cc1ccccc1CSc1nccn2nc(-c3ccc(Br)cc3)cc12 ZINC000038486447 568997051 /nfs/dbraw/zinc/99/70/51/568997051.db2.gz UXSZLBPWLYLGSE-UHFFFAOYSA-N 0 0 410.340 5.760 50 0 HKAARN Cc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 ZINC000038486448 568997033 /nfs/dbraw/zinc/99/70/33/568997033.db2.gz BEPSTXMQGJLVMS-UHFFFAOYSA-N 0 0 410.340 5.760 50 0 HKAARN Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 ZINC000038486449 568997026 /nfs/dbraw/zinc/99/70/26/568997026.db2.gz ODKZPKHZRLDGGI-UHFFFAOYSA-N 0 0 410.340 5.760 50 0 HKAARN Fc1ccccc1CSc1nccn2nc(-c3ccc(Br)cc3)cc12 ZINC000038486451 568997042 /nfs/dbraw/zinc/99/70/42/568997042.db2.gz OQMQHEQCLGWMHQ-UHFFFAOYSA-N 0 0 414.303 5.590 50 0 HKAARN Fc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 ZINC000038486452 568997009 /nfs/dbraw/zinc/99/70/09/568997009.db2.gz GDUSXTFCPSOYRM-UHFFFAOYSA-N 0 0 414.303 5.590 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 ZINC000038486472 568996987 /nfs/dbraw/zinc/99/69/87/568996987.db2.gz IURWDKZMWUEZSI-UHFFFAOYSA-N 0 0 414.534 5.016 50 0 HKAARN CCOc1ccc(OCC)c(Nc2cc(C(=O)OC)nc3ccc(Cl)cc32)c1 ZINC000038486608 559256124 /nfs/dbraw/zinc/25/61/24/559256124.db2.gz GERJANWJDHHNDU-UHFFFAOYSA-N 0 0 400.862 5.216 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1 ZINC000038486617 559256116 /nfs/dbraw/zinc/25/61/16/559256116.db2.gz XFDDTGSQHNFSQN-UHFFFAOYSA-N 0 0 419.550 5.876 50 0 HKAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000038486697 559256120 /nfs/dbraw/zinc/25/61/20/559256120.db2.gz HCFGGIAEVMTGOV-UHFFFAOYSA-N 0 0 421.835 5.312 50 0 HKAARN Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000038486707 568997152 /nfs/dbraw/zinc/99/71/52/568997152.db2.gz LAPACLYDSPILMB-UHFFFAOYSA-N 0 0 421.835 5.312 50 0 HKAARN Cc1ccc(-c2csc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000038486734 568997200 /nfs/dbraw/zinc/99/72/00/568997200.db2.gz QSOKUMZOAQJKOE-UHFFFAOYSA-N 0 0 400.425 5.501 50 0 HKAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(Cl)c4)c3N)n2)cc1 ZINC000038486800 568997250 /nfs/dbraw/zinc/99/72/50/568997250.db2.gz CYRCSYSCGLVZLR-UHFFFAOYSA-N 0 0 411.918 5.001 50 0 HKAARN Cc1ccc(-c2csc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1 ZINC000038486829 568997237 /nfs/dbraw/zinc/99/72/37/568997237.db2.gz LPFZBJBXYRBCEE-UHFFFAOYSA-N 0 0 416.502 5.173 50 0 HKAARN COc1ccc(OC)c(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)c1 ZINC000038487149 568997226 /nfs/dbraw/zinc/99/72/26/568997226.db2.gz CVBUTIGJKKZIPS-UHFFFAOYSA-N 0 0 412.902 5.037 50 0 HKAARN CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(Br)c(C)c3)c2c1 ZINC000038487349 568997251 /nfs/dbraw/zinc/99/72/51/568997251.db2.gz KKXBGXMJLGXUFJ-UHFFFAOYSA-N 0 0 415.287 5.235 50 0 HKAARN COc1ccccc1C(=O)Nc1ccccc1NC(=O)C1(c2cccs2)CCCC1 ZINC000038488591 568997807 /nfs/dbraw/zinc/99/78/07/568997807.db2.gz VADFRVKNVPYUJG-UHFFFAOYSA-N 0 0 420.534 5.460 50 0 HKAARN CCN1c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2OCC(C)(C)C1=O ZINC000038489806 568997799 /nfs/dbraw/zinc/99/77/99/568997799.db2.gz CFXCPTNCEKZZHZ-UHFFFAOYSA-N 0 0 421.419 5.121 50 0 HKAARN O=C(NCc1cccc2ccccc21)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000038489818 568997773 /nfs/dbraw/zinc/99/77/73/568997773.db2.gz DNCQAQXVCFRONP-UHFFFAOYSA-N 0 0 413.521 5.241 50 0 HKAARN O=C(Nc1ccccc1NC(=O)c1ccsc1)Nc1ccccc1C(F)(F)F ZINC000038490167 568997823 /nfs/dbraw/zinc/99/78/23/568997823.db2.gz FAPAUUATVSFQIP-UHFFFAOYSA-N 0 0 405.401 5.663 50 0 HKAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1cc(-c2ccccc2)on1 ZINC000038493092 568998003 /nfs/dbraw/zinc/99/80/03/568998003.db2.gz FDNFXTOTPJWNLH-UHFFFAOYSA-N 0 0 403.488 5.932 50 0 HKAARN Cc1c(C(=O)Nc2sccc2-c2nc3ccccc3s2)cnn1-c1ccccc1 ZINC000038493099 568997880 /nfs/dbraw/zinc/99/78/80/568997880.db2.gz QEZNKZJUGQOTPA-UHFFFAOYSA-N 0 0 416.531 5.771 50 0 HKAARN Cc1nc2ccccc2n1CC1CCN(C(=O)Cc2ccc(SC(C)C)cc2)CC1 ZINC000038533749 568998146 /nfs/dbraw/zinc/99/81/46/568998146.db2.gz MOBOEAMDXRBOIH-UHFFFAOYSA-N 0 0 421.610 5.327 50 0 HKAARN O=C(c1cccc(Cl)c1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534150 568998168 /nfs/dbraw/zinc/99/81/68/568998168.db2.gz UPCKOCONOIWXRD-UHFFFAOYSA-N 0 0 421.850 5.261 50 0 HKAARN O=C(/C=C/c1cccs1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534303 568998199 /nfs/dbraw/zinc/99/81/99/568998199.db2.gz IRRSOJIKJQYPEL-BQYQJAHWSA-N 0 0 419.472 5.069 50 0 HKAARN O=C(/C=C/c1ccccc1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038534366 568998229 /nfs/dbraw/zinc/99/82/29/568998229.db2.gz OZCJRYHYTDBVTM-ZHACJKMWSA-N 0 0 413.443 5.007 50 0 HKAARN Cc1ccccc1NC(=O)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038536176 568998111 /nfs/dbraw/zinc/99/81/11/568998111.db2.gz LLHJVKOJTMBDJA-UHFFFAOYSA-N 0 0 416.447 5.308 50 0 HKAARN O=C(Nc1cccs1)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038536185 568998102 /nfs/dbraw/zinc/99/81/02/568998102.db2.gz YFNWDIRPDJVTJJ-UHFFFAOYSA-N 0 0 408.449 5.061 50 0 HKAARN Cc1cc([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545868 568999730 /nfs/dbraw/zinc/99/97/30/568999730.db2.gz JQGKYPMNITWLNV-HXUWFJFHSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1cc([C@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545869 568999722 /nfs/dbraw/zinc/99/97/22/568999722.db2.gz JQGKYPMNITWLNV-FQEVSTJZSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545870 568999684 /nfs/dbraw/zinc/99/96/84/568999684.db2.gz VBRBCVVIMUMKCF-HXUWFJFHSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1cc([C@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545871 568999787 /nfs/dbraw/zinc/99/97/87/568999787.db2.gz VBRBCVVIMUMKCF-FQEVSTJZSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1cc([C@@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545872 568999738 /nfs/dbraw/zinc/99/97/38/568999738.db2.gz ROYVDFZUKWWNGP-HXUWFJFHSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1cc([C@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545873 568999815 /nfs/dbraw/zinc/99/98/15/568999815.db2.gz ROYVDFZUKWWNGP-FQEVSTJZSA-N 0 0 414.958 6.131 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CCOCC2)c1C ZINC000038546066 569000051 /nfs/dbraw/zinc/00/00/51/569000051.db2.gz JBKQABOTHBCBNW-HXUWFJFHSA-N 0 0 412.580 5.100 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)N2CCOCC2)c1C ZINC000038546067 568999954 /nfs/dbraw/zinc/99/99/54/568999954.db2.gz JBKQABOTHBCBNW-FQEVSTJZSA-N 0 0 412.580 5.100 50 0 HKAARN CCc1cc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546109 569000017 /nfs/dbraw/zinc/00/00/17/569000017.db2.gz DSRLUNUAZDOHMA-OAQYLSRUSA-N 0 0 412.530 5.870 50 0 HKAARN CCc1cc([C@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546110 568999965 /nfs/dbraw/zinc/99/99/65/568999965.db2.gz DSRLUNUAZDOHMA-NRFANRHFSA-N 0 0 412.530 5.870 50 0 HKAARN CCc1cc([C@@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546111 568999975 /nfs/dbraw/zinc/99/99/75/568999975.db2.gz BBGVVTQKLDUMKI-OAQYLSRUSA-N 0 0 412.530 5.870 50 0 HKAARN CCc1cc([C@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546112 569000002 /nfs/dbraw/zinc/00/00/02/569000002.db2.gz BBGVVTQKLDUMKI-NRFANRHFSA-N 0 0 412.530 5.870 50 0 HKAARN Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546155 568999981 /nfs/dbraw/zinc/99/99/81/568999981.db2.gz SNGADZIUIQVPPB-JOCHJYFZSA-N 0 0 424.566 5.447 50 0 HKAARN Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546156 568999970 /nfs/dbraw/zinc/99/99/70/568999970.db2.gz SNGADZIUIQVPPB-QFIPXVFZSA-N 0 0 424.566 5.447 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)N2CCOCC2)c1C ZINC000038546697 569000536 /nfs/dbraw/zinc/00/05/36/569000536.db2.gz FUCQXKZAWDHBGB-GOSISDBHSA-N 0 0 418.609 5.162 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C ZINC000038546698 569000520 /nfs/dbraw/zinc/00/05/20/569000520.db2.gz FUCQXKZAWDHBGB-SFHVURJKSA-N 0 0 418.609 5.162 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCOCC2)c1C ZINC000038546699 569000392 /nfs/dbraw/zinc/00/03/92/569000392.db2.gz JWCQNCLSKDYVDO-GOSISDBHSA-N 0 0 418.609 5.162 50 0 HKAARN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)N2CCOCC2)c1C ZINC000038546700 569000432 /nfs/dbraw/zinc/00/04/32/569000432.db2.gz JWCQNCLSKDYVDO-SFHVURJKSA-N 0 0 418.609 5.162 50 0 HKAARN Cc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546892 558812896 /nfs/dbraw/zinc/81/28/96/558812896.db2.gz NLKWZMHOUXXPAB-NRFANRHFSA-N 0 0 403.507 5.807 50 0 HKAARN Cc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546893 558812825 /nfs/dbraw/zinc/81/28/25/558812825.db2.gz NLKWZMHOUXXPAB-OAQYLSRUSA-N 0 0 403.507 5.807 50 0 HKAARN Cc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546894 558812900 /nfs/dbraw/zinc/81/29/00/558812900.db2.gz DPDUQOHFGPJKTR-NRFANRHFSA-N 0 0 403.507 5.807 50 0 HKAARN Cc1cc([C@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546895 558812872 /nfs/dbraw/zinc/81/28/72/558812872.db2.gz DPDUQOHFGPJKTR-OAQYLSRUSA-N 0 0 403.507 5.807 50 0 HKAARN COc1ccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546896 558812804 /nfs/dbraw/zinc/81/28/04/558812804.db2.gz INXCYDLRQSEIHR-OAQYLSRUSA-N 0 0 419.506 5.507 50 0 HKAARN COc1ccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546898 558812892 /nfs/dbraw/zinc/81/28/92/558812892.db2.gz INXCYDLRQSEIHR-NRFANRHFSA-N 0 0 419.506 5.507 50 0 HKAARN COc1cccc([C@@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546904 558812832 /nfs/dbraw/zinc/81/28/32/558812832.db2.gz KIUFHCBPRCIOHY-OAQYLSRUSA-N 0 0 419.506 5.507 50 0 HKAARN COc1cccc([C@H](Nc2ccccn2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546905 558812883 /nfs/dbraw/zinc/81/28/83/558812883.db2.gz KIUFHCBPRCIOHY-NRFANRHFSA-N 0 0 419.506 5.507 50 0 HKAARN COc1ccccc1[C@@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546915 558812879 /nfs/dbraw/zinc/81/28/79/558812879.db2.gz AVXXAADDLRTNIQ-OAQYLSRUSA-N 0 0 419.506 5.507 50 0 HKAARN COc1ccccc1[C@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546917 558812797 /nfs/dbraw/zinc/81/27/97/558812797.db2.gz AVXXAADDLRTNIQ-NRFANRHFSA-N 0 0 419.506 5.507 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546926 558812787 /nfs/dbraw/zinc/81/27/87/558812787.db2.gz ZSZYFJUDOOMBEO-HXUWFJFHSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546928 558812765 /nfs/dbraw/zinc/81/27/65/558812765.db2.gz ZSZYFJUDOOMBEO-FQEVSTJZSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546937 558812835 /nfs/dbraw/zinc/81/28/35/558812835.db2.gz MLEUDMMTMLNYEM-HXUWFJFHSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546939 558812857 /nfs/dbraw/zinc/81/28/57/558812857.db2.gz MLEUDMMTMLNYEM-FQEVSTJZSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546949 558812841 /nfs/dbraw/zinc/81/28/41/558812841.db2.gz VJEAWMQOELYRJF-HXUWFJFHSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546951 558812780 /nfs/dbraw/zinc/81/27/80/558812780.db2.gz VJEAWMQOELYRJF-FQEVSTJZSA-N 0 0 423.925 6.152 50 0 HKAARN Cc1cc([C@H](Nc2ccccn2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546961 558812838 /nfs/dbraw/zinc/81/28/38/558812838.db2.gz DFZVAUYWWMLMJP-HXUWFJFHSA-N 0 0 407.470 5.637 50 0 HKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546963 558812808 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CCc1cc([C@H](Nc2ccccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547088 569000413 /nfs/dbraw/zinc/00/04/13/569000413.db2.gz OQKUVWVLQQLRDR-OAQYLSRUSA-N 0 0 403.507 5.752 50 0 HKAARN CCc1cc([C@@H](Nc2ccccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547089 569000514 /nfs/dbraw/zinc/00/05/14/569000514.db2.gz OQKUVWVLQQLRDR-NRFANRHFSA-N 0 0 403.507 5.752 50 0 HKAARN CCc1cc([C@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547090 569000557 /nfs/dbraw/zinc/00/05/57/569000557.db2.gz YFKSVNVBXHVHHZ-JOCHJYFZSA-N 0 0 417.534 6.061 50 0 HKAARN CCc1cc([C@@H](Nc2cc(C)ccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547091 569000491 /nfs/dbraw/zinc/00/04/91/569000491.db2.gz YFKSVNVBXHVHHZ-QFIPXVFZSA-N 0 0 417.534 6.061 50 0 HKAARN CCc1cc([C@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547092 569000480 /nfs/dbraw/zinc/00/04/80/569000480.db2.gz OIUPIBKYNWIRKE-JOCHJYFZSA-N 0 0 417.534 6.061 50 0 HKAARN CCc1cc([C@@H](Nc2cccc(C)n2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547093 569000529 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O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1)NCc1cccs1 ZINC000038678479 571061033 /nfs/dbraw/zinc/06/10/33/571061033.db2.gz QDWWXSHPJSSUSN-UHFFFAOYSA-N 0 0 424.591 5.119 50 0 HKAARN CCCCOc1ccc(NC(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1 ZINC000038678845 571060982 /nfs/dbraw/zinc/06/09/82/571060982.db2.gz FFQZULZCBKEEHZ-UHFFFAOYSA-N 0 0 404.470 5.157 50 0 HKAARN O=C(Cc1noc2ccccc12)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000038680143 527346544 /nfs/dbraw/zinc/34/65/44/527346544.db2.gz WBNFNZWDBLCSHP-UHFFFAOYSA-N 0 0 411.486 5.800 50 0 HKAARN CCCc1nnsc1C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000038680147 571062572 /nfs/dbraw/zinc/06/25/72/571062572.db2.gz PGHOJKJUYPKEGU-UHFFFAOYSA-N 0 0 406.536 5.533 50 0 HKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000038699985 568578891 /nfs/dbraw/zinc/57/88/91/568578891.db2.gz OXKXLLMYRVDPEP-UHFFFAOYSA-N 0 0 406.485 5.685 50 0 HKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000038700005 568578892 /nfs/dbraw/zinc/57/88/92/568578892.db2.gz 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5.384 50 0 HKAARN COC(=O)[C@@H]1C=C(c2ccccc2)S[C@@]1(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000039263834 571127236 /nfs/dbraw/zinc/12/72/36/571127236.db2.gz HHNRIJCKQMJWDO-DFBJGRDBSA-N 0 0 412.514 5.384 50 0 HKAARN CC1(C)COc2c(c3c(nc2-c2ccccc2)sc2c3ncnc2N2CCCC2)C1 ZINC000039321604 571131415 /nfs/dbraw/zinc/13/14/15/571131415.db2.gz WSVZGNJMHAKBSN-UHFFFAOYSA-N 0 0 416.550 5.468 50 0 HKAARN C[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 ZINC000039323719 571131492 /nfs/dbraw/zinc/13/14/92/571131492.db2.gz FUGMRDDBDZWABH-SNVBAGLBSA-N 0 0 421.444 5.154 50 0 HKAARN C[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 ZINC000039323721 571131432 /nfs/dbraw/zinc/13/14/32/571131432.db2.gz FUGMRDDBDZWABH-JTQLQIEISA-N 0 0 421.444 5.154 50 0 HKAARN Cc1ccc(I)cc1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000039351846 558820287 /nfs/dbraw/zinc/82/02/87/558820287.db2.gz MGXZKAYHSITHMW-UHFFFAOYSA-N 0 0 408.279 6.058 50 0 in-vitro HKAARN O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000039362646 571313971 /nfs/dbraw/zinc/31/39/71/571313971.db2.gz DSBMHONFFGWIDP-AREMUKBSSA-N 0 0 421.487 5.089 50 0 HKAARN O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000039362648 571313986 /nfs/dbraw/zinc/31/39/86/571313986.db2.gz DSBMHONFFGWIDP-SANMLTNESA-N 0 0 421.487 5.089 50 0 HKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(O)cc2)n1 ZINC000039370724 571131761 /nfs/dbraw/zinc/13/17/61/571131761.db2.gz NJQNCGSLHSDMFE-UHFFFAOYSA-N 0 0 400.269 5.188 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000039379006 558820648 /nfs/dbraw/zinc/82/06/48/558820648.db2.gz RWRYZFKBHPZNSA-UHFFFAOYSA-N 0 0 415.836 6.056 50 0 HKAARN O=C(Nc1ccc(-c2ccc(F)cc2)cc1)Nc1ccc(-c2ccc(F)cc2)cc1 ZINC000039404092 571132137 /nfs/dbraw/zinc/13/21/37/571132137.db2.gz RYUYESJWGXJMFW-UHFFFAOYSA-N 0 0 400.428 6.943 50 0 HKAARN COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000039404160 571132149 /nfs/dbraw/zinc/13/21/49/571132149.db2.gz ADUXPPLJGJCEFO-UHFFFAOYSA-N 0 0 420.516 6.017 50 0 HKAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1cccnc1 ZINC000039404163 571132134 /nfs/dbraw/zinc/13/21/34/571132134.db2.gz KCJZLPGJBMLQID-UHFFFAOYSA-N 0 0 407.477 5.103 50 0 HKAARN CC1=C(C)C[C@@](CCCSc2ccccc2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039424380 569012917 /nfs/dbraw/zinc/01/29/17/569012917.db2.gz ZURHMSZOTZBBLP-QHCPKHFHSA-N 0 0 400.609 6.292 50 0 HKAARN CC1=C(C)C[C@](CCCSc2ccccc2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039424381 569012862 /nfs/dbraw/zinc/01/28/62/569012862.db2.gz ZURHMSZOTZBBLP-HSZRJFAPSA-N 0 0 400.609 6.292 50 0 HKAARN CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc2ccccc2s1 ZINC000039515808 571132469 /nfs/dbraw/zinc/13/24/69/571132469.db2.gz LWDLJBOWHMBEEW-UHFFFAOYSA-N 0 0 421.136 5.972 50 0 HKAARN CN(CCOc1ccc(Cl)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000039538871 571132830 /nfs/dbraw/zinc/13/28/30/571132830.db2.gz ALIIVIRVIHTABU-UHFFFAOYSA-N 0 0 419.308 5.118 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@H](C)Sc4ccccc43)c12 ZINC000039539786 571132890 /nfs/dbraw/zinc/13/28/90/571132890.db2.gz BHGFMNMMTKXHOB-ZDUSSCGKSA-N 0 0 405.479 5.322 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)c12 ZINC000039539787 571132867 /nfs/dbraw/zinc/13/28/67/571132867.db2.gz BHGFMNMMTKXHOB-CYBMUJFWSA-N 0 0 405.479 5.322 50 0 HKAARN CN(C)C(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 ZINC000039548836 571132816 /nfs/dbraw/zinc/13/28/16/571132816.db2.gz VZDQIHHEXYXGMT-UHFFFAOYSA-N 0 0 417.534 5.020 50 0 HKAARN COc1cc(OC)c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1Cl ZINC000039553731 571133083 /nfs/dbraw/zinc/13/30/83/571133083.db2.gz CQSGGRLSUAIIOH-UHFFFAOYSA-N 0 0 417.918 5.108 50 0 HKAARN CCCn1c2ccccc2nc1NC(=O)c1ccccc1SCc1cscn1 ZINC000039554839 571133157 /nfs/dbraw/zinc/13/31/57/571133157.db2.gz NSQCXOOHRNXYKX-UHFFFAOYSA-N 0 0 408.552 5.447 50 0 HKAARN Cc1ccc(-c2nn(CN[C@@H](c3cccs3)C(C)(C)C)c(=O)c3ccccc32)cc1 ZINC000039563677 571133417 /nfs/dbraw/zinc/13/34/17/571133417.db2.gz BVPMUXHMCOSOHO-QHCPKHFHSA-N 0 0 417.578 5.768 50 0 HKAARN Cc1ccc(-c2nn(CN[C@H](c3cccs3)C(C)(C)C)c(=O)c3ccccc32)cc1 ZINC000039563678 571133483 /nfs/dbraw/zinc/13/34/83/571133483.db2.gz BVPMUXHMCOSOHO-HSZRJFAPSA-N 0 0 417.578 5.768 50 0 HKAARN Clc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)s1 ZINC000039573289 571133499 /nfs/dbraw/zinc/13/34/99/571133499.db2.gz XLZRZMIYNSUZCW-UHFFFAOYSA-N 0 0 404.992 5.260 50 0 HKAARN Clc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC3=CC=CC4=CC=C[C@@H](N2)[C@H]43)cc1 ZINC000039580523 569358103 /nfs/dbraw/zinc/35/81/03/569358103.db2.gz OWAYLESRBWNJRF-CWDLOFLHSA-N 0 0 424.935 5.319 50 0 HKAARN Clc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC3=CC=CC4=CC=C[C@H](N2)[C@H]43)cc1 ZINC000039580527 569358056 /nfs/dbraw/zinc/35/80/56/569358056.db2.gz OWAYLESRBWNJRF-GVUKDKGQSA-N 0 0 424.935 5.319 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C2CCCCC2)cc1 ZINC000039581626 558822434 /nfs/dbraw/zinc/82/24/34/558822434.db2.gz BYWCZOFGWADRKP-IFMALSPDSA-N 0 0 419.327 6.582 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)s1 ZINC000039582431 569358085 /nfs/dbraw/zinc/35/80/85/569358085.db2.gz JJHHCQNDTYRDFE-UGSOOPFHSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)s1 ZINC000039582432 569358242 /nfs/dbraw/zinc/35/82/42/569358242.db2.gz JJHHCQNDTYRDFE-ACJLOTCBSA-N 0 0 417.353 5.814 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C2CCCCC2)s1 ZINC000039582435 569358225 /nfs/dbraw/zinc/35/82/25/569358225.db2.gz WRVBAXVZLFZOIM-UZLBHIALSA-N 0 0 417.372 5.961 50 0 HKAARN Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)s1 ZINC000039582439 569358250 /nfs/dbraw/zinc/35/82/50/569358250.db2.gz XXIHMWSBGAYHQL-JXFKEZNVSA-N 0 0 411.324 5.753 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc2ccccc2nc1C ZINC000039610505 571133688 /nfs/dbraw/zinc/13/36/88/571133688.db2.gz GBPPDKZWQCAWJY-UHFFFAOYSA-N 0 0 411.820 5.051 50 0 HKAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000039725427 571133935 /nfs/dbraw/zinc/13/39/35/571133935.db2.gz NXHYSVCNQDXUIW-UHFFFAOYSA-N 0 0 414.871 6.624 50 0 HKAARN CC(C)n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 ZINC000039753435 558822567 /nfs/dbraw/zinc/82/25/67/558822567.db2.gz SOWPQJAGJDHZOQ-UHFFFAOYSA-N 0 0 410.474 5.142 50 0 HKAARN COc1ccc(-c2nnc(NC(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 ZINC000039759123 571134350 /nfs/dbraw/zinc/13/43/50/571134350.db2.gz IFVRQWKVYGRKJK-UHFFFAOYSA-N 0 0 415.927 5.643 50 0 HKAARN CC(C)n1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 ZINC000039773101 558822582 /nfs/dbraw/zinc/82/25/82/558822582.db2.gz BSGAFRUTAVPQPV-HNNXBMFYSA-N 0 0 412.559 5.202 50 0 HKAARN CC(C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 ZINC000039773102 558822561 /nfs/dbraw/zinc/82/25/61/558822561.db2.gz BSGAFRUTAVPQPV-OAHLLOKOSA-N 0 0 412.559 5.202 50 0 HKAARN CCCCCCSC1=C(C#N)[C@H](c2ccoc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000039777194 571317667 /nfs/dbraw/zinc/31/76/67/571317667.db2.gz HQIPANDUBGAYRX-QFIPXVFZSA-N 0 0 421.566 5.928 50 0 HKAARN CCCCCCSC1=C(C#N)[C@@H](c2ccoc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000039777195 571317712 /nfs/dbraw/zinc/31/77/12/571317712.db2.gz HQIPANDUBGAYRX-JOCHJYFZSA-N 0 0 421.566 5.928 50 0 HKAARN CCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000039843887 571134338 /nfs/dbraw/zinc/13/43/38/571134338.db2.gz ZESQGKALPHATPL-UHFFFAOYSA-N 0 0 408.882 5.179 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCCCC3)o2)cc1 ZINC000039843927 571134315 /nfs/dbraw/zinc/13/43/15/571134315.db2.gz JIOBEZAIKIDOSU-UHFFFAOYSA-N 0 0 414.502 5.002 50 0 HKAARN Cc1ccc(CNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844041 571134617 /nfs/dbraw/zinc/13/46/17/571134617.db2.gz FBIPOSYIAMEEKJ-UHFFFAOYSA-N 0 0 404.491 5.095 50 0 HKAARN CC(C)CNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000039844148 571134557 /nfs/dbraw/zinc/13/45/57/571134557.db2.gz JRLXLLUZJWCOMD-UHFFFAOYSA-N 0 0 408.882 5.035 50 0 HKAARN c1ccc(-c2nnc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)nn23)cc1 ZINC000039929720 571134858 /nfs/dbraw/zinc/13/48/58/571134858.db2.gz OOKGTSKVZPILBL-UHFFFAOYSA-N 0 0 424.507 6.792 50 0 HKAARN Cc1ccc2cccc(OC(=O)c3ccc(OC(=O)c4ccccc4Cl)cc3)c2n1 ZINC000039930670 571134898 /nfs/dbraw/zinc/13/48/98/571134898.db2.gz JQLUAUSSXFGNGV-UHFFFAOYSA-N 0 0 417.848 5.635 50 0 HKAARN CCOc1cc2c(cc1OC)CCN=C2Cc1ccc(OCc2ccccc2)cc1 ZINC000039931424 571134886 /nfs/dbraw/zinc/13/48/86/571134886.db2.gz JORYYTSHXJMJBT-UHFFFAOYSA-N 0 0 401.506 5.261 50 0 HKAARN COc1ccc([C@H]2C[C@]23CCC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000039931513 571134939 /nfs/dbraw/zinc/13/49/39/571134939.db2.gz NSCNIUYSTKSCBT-KQFOGTDGSA-N 0 0 422.521 5.122 50 0 HKAARN CCCCCCN=C1O[C@@H](c2ccc(OC)c(OC)c2)C(=O)C(c2ccccc2)C1=O ZINC000039931605 571134905 /nfs/dbraw/zinc/13/49/05/571134905.db2.gz NKWRVOULVJXICX-HFYVVNBOSA-N 0 0 423.509 5.292 50 0 HKAARN CCCCCCN=C1O[C@H](c2ccc(OC)c(OC)c2)C(=O)C(c2ccccc2)C1=O ZINC000039931606 571134865 /nfs/dbraw/zinc/13/48/65/571134865.db2.gz NKWRVOULVJXICX-SLXTYVBUSA-N 0 0 423.509 5.292 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1Oc1ccccc1)N1CCC1=O ZINC000039931661 571134883 /nfs/dbraw/zinc/13/48/83/571134883.db2.gz HMYSOVGUWCPPEH-RUZDIDTESA-N 0 0 414.505 5.262 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1Oc1ccccc1)N1CCC1=O ZINC000039931662 571134943 /nfs/dbraw/zinc/13/49/43/571134943.db2.gz HMYSOVGUWCPPEH-VWLOTQADSA-N 0 0 414.505 5.262 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1SCc1ccc(F)cc1 ZINC000039931825 571135053 /nfs/dbraw/zinc/13/50/53/571135053.db2.gz NJHDUAVZDAIFKW-UHFFFAOYSA-N 0 0 420.431 6.781 50 0 HKAARN O=C(c1sc(Nc2ccccc2)c2c1cnn(-c1ccccc1)c2=O)c1ccccc1 ZINC000039931847 571135126 /nfs/dbraw/zinc/13/51/26/571135126.db2.gz BXWLKTDVYAHZJW-UHFFFAOYSA-N 0 0 423.497 5.422 50 0 HKAARN COc1ccc([C@@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039932657 571135216 /nfs/dbraw/zinc/13/52/16/571135216.db2.gz IIBYDZGIKRTZFB-DEOSSOPVSA-N 0 0 416.433 5.097 50 0 HKAARN COc1ccc([C@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039932658 571135173 /nfs/dbraw/zinc/13/51/73/571135173.db2.gz IIBYDZGIKRTZFB-XMMPIXPASA-N 0 0 416.433 5.097 50 0 HKAARN NC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCc1sccc1-3 ZINC000039932773 571135047 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CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000040099100 571162785 /nfs/dbraw/zinc/16/27/85/571162785.db2.gz HNLPQGHSVNKPFQ-UHFFFAOYSA-N 0 0 415.493 5.036 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)N(C)Cc1ccc(OC)c(OC)c1OC ZINC000040103335 571163973 /nfs/dbraw/zinc/16/39/73/571163973.db2.gz BFTCMQHZWYWFAY-UHFFFAOYSA-N 0 0 420.937 5.155 50 0 HKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000040103600 571164237 /nfs/dbraw/zinc/16/42/37/571164237.db2.gz CIZFBXVHRDFZCY-UHFFFAOYSA-N 0 0 409.489 5.811 50 0 HKAARN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(SC)cc1 ZINC000040104223 571164921 /nfs/dbraw/zinc/16/49/21/571164921.db2.gz YSTQKVQFPGMJPZ-UHFFFAOYSA-N 0 0 424.570 5.128 50 0 HKAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000040104358 571165272 /nfs/dbraw/zinc/16/52/72/571165272.db2.gz PDPIUSLDZKVFNN-UHFFFAOYSA-N 0 0 415.449 5.278 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000040104394 571165279 /nfs/dbraw/zinc/16/52/79/571165279.db2.gz 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569048117 /nfs/dbraw/zinc/04/81/17/569048117.db2.gz HLQYKAIFFHHYSV-PKNBQFBNSA-N 0 0 401.304 5.004 50 0 HKAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000040110723 571169064 /nfs/dbraw/zinc/16/90/64/571169064.db2.gz BLIKGPQMNLNHOR-UHFFFAOYSA-N 0 0 407.489 5.397 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 ZINC000040111853 571169989 /nfs/dbraw/zinc/16/99/89/571169989.db2.gz XFICYPKLUPGRLX-FQEVSTJZSA-N 0 0 406.457 5.219 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 ZINC000040111855 571169990 /nfs/dbraw/zinc/16/99/90/571169990.db2.gz XFICYPKLUPGRLX-HXUWFJFHSA-N 0 0 406.457 5.219 50 0 HKAARN CCc1sc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1C ZINC000040111860 571169948 /nfs/dbraw/zinc/16/99/48/571169948.db2.gz HAIPTVFDFYSEAJ-UHFFFAOYSA-N 0 0 412.486 5.271 50 0 HKAARN C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCc1cscn1 ZINC000040111976 571169915 /nfs/dbraw/zinc/16/99/15/571169915.db2.gz HXKRDEJRCBNTEJ-AWEZNQCLSA-N 0 0 402.972 5.450 50 0 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Cc1ccc(-c2nnc(CCC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)o2)cc1 ZINC000040118517 571174839 /nfs/dbraw/zinc/17/48/39/571174839.db2.gz UYDTUUPZJLQLER-QHCPKHFHSA-N 0 0 407.489 5.164 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040119046 571175032 /nfs/dbraw/zinc/17/50/32/571175032.db2.gz ICAKAPSJSAKTSR-ZDUSSCGKSA-N 0 0 416.905 5.592 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000040119047 571175041 /nfs/dbraw/zinc/17/50/41/571175041.db2.gz ICAKAPSJSAKTSR-CYBMUJFWSA-N 0 0 416.905 5.592 50 0 HKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000040119370 571175519 /nfs/dbraw/zinc/17/55/19/571175519.db2.gz UWLFCFKEJOYENJ-UHFFFAOYSA-N 0 0 422.410 5.134 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2C)cc1 ZINC000040119797 571175916 /nfs/dbraw/zinc/17/59/16/571175916.db2.gz FPVYWVGMNVDEOK-UHFFFAOYSA-N 0 0 422.535 5.228 50 0 HKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000040119809 568620626 /nfs/dbraw/zinc/62/06/26/568620626.db2.gz IYLWYUSIUHMMMP-UHFFFAOYSA-N 0 0 417.519 5.163 50 0 HKAARN COc1cc(CN(C(=O)Nc2ccc(Cl)cc2C)C2CC2)ccc1OC(F)F ZINC000040119907 571175828 /nfs/dbraw/zinc/17/58/28/571175828.db2.gz GUZCJRLENOCRRI-UHFFFAOYSA-N 0 0 410.848 5.455 50 0 HKAARN COc1cc(CN(C(=O)Nc2cccc(Cl)c2C)C2CC2)ccc1OC(F)F ZINC000040119909 568620632 /nfs/dbraw/zinc/62/06/32/568620632.db2.gz XTURAUFMKKHKIF-UHFFFAOYSA-N 0 0 410.848 5.455 50 0 HKAARN COc1cc(CN(C(=O)Nc2ccccc2C(C)C)C2CC2)ccc1OC(F)F ZINC000040119931 571175861 /nfs/dbraw/zinc/17/58/61/571175861.db2.gz DWHSCTUVZRTSJW-UHFFFAOYSA-N 0 0 404.457 5.617 50 0 HKAARN COc1cc(CN(C(=O)Nc2c(C)cccc2C(C)C)C2CC2)ccc1OC(F)F ZINC000040119942 571175823 /nfs/dbraw/zinc/17/58/23/571175823.db2.gz MRFCDOQYNRTYCL-UHFFFAOYSA-N 0 0 418.484 5.925 50 0 HKAARN COc1cc(CN(C(=O)Nc2cc(Cl)ccc2C)C2CC2)ccc1OC(F)F ZINC000040119987 571176136 /nfs/dbraw/zinc/17/61/36/571176136.db2.gz TWOURIQLYCVXIC-UHFFFAOYSA-N 0 0 410.848 5.455 50 0 HKAARN COc1cc(CN(C(=O)Nc2cccc(Cl)c2F)C2CC2)ccc1OC(F)F ZINC000040120088 571176082 /nfs/dbraw/zinc/17/60/82/571176082.db2.gz DARNUSHMXZCMJE-UHFFFAOYSA-N 0 0 414.811 5.286 50 0 HKAARN COc1cc(CN(C(=O)Nc2cc(Cl)ccc2F)C2CC2)ccc1OC(F)F ZINC000040120096 571176132 /nfs/dbraw/zinc/17/61/32/571176132.db2.gz WDKKMMJPMSSTLT-UHFFFAOYSA-N 0 0 414.811 5.286 50 0 HKAARN C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 ZINC000040120563 571176674 /nfs/dbraw/zinc/17/66/74/571176674.db2.gz FNAZBGHYXMZILT-ZDUSSCGKSA-N 0 0 417.387 5.433 50 0 HKAARN C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 ZINC000040120564 571176602 /nfs/dbraw/zinc/17/66/02/571176602.db2.gz FNAZBGHYXMZILT-CYBMUJFWSA-N 0 0 417.387 5.433 50 0 HKAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC(F)F ZINC000040120815 571176910 /nfs/dbraw/zinc/17/69/10/571176910.db2.gz PCFHAPFPUWXQMH-GOSISDBHSA-N 0 0 421.490 5.208 50 0 HKAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC(F)F ZINC000040120816 571176894 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O=C(CCSc1nnc(C2CCCCC2)o1)Nc1ccc(Br)cc1 ZINC000040127498 571179302 /nfs/dbraw/zinc/17/93/02/571179302.db2.gz FTTXWHJCSNOAOH-UHFFFAOYSA-N 0 0 410.337 5.001 50 0 HKAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 ZINC000040128433 571179706 /nfs/dbraw/zinc/17/97/06/571179706.db2.gz RDMMVTMRTIFMEQ-UHFFFAOYSA-N 0 0 402.420 5.042 50 0 HKAARN CCOc1ccc(-c2nc(NC(=O)c3oc4c(c3C)C(=O)CCC4)sc2C)cc1 ZINC000040128954 571180126 /nfs/dbraw/zinc/18/01/26/571180126.db2.gz MERTUGFNHZDVLB-UHFFFAOYSA-N 0 0 410.495 5.190 50 0 HKAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000040129038 571180106 /nfs/dbraw/zinc/18/01/06/571180106.db2.gz ZNPASKWPGLZATD-UHFFFAOYSA-N 0 0 424.522 5.187 50 0 HKAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1sccc1Br ZINC000040129268 571180320 /nfs/dbraw/zinc/18/03/20/571180320.db2.gz DDLITAMJCKAINV-UHFFFAOYSA-N 0 0 404.314 5.368 50 0 HKAARN CCCCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000040129303 571180396 /nfs/dbraw/zinc/18/03/96/571180396.db2.gz 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/nfs/dbraw/zinc/20/44/67/571204467.db2.gz MDJFSHBJPCEISK-UHFFFAOYSA-N 0 0 423.831 5.433 50 0 HKAARN C[C@@H](c1ccccc1F)N(Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CC1 ZINC000040158178 571204706 /nfs/dbraw/zinc/20/47/06/571204706.db2.gz FFKVXRQDPFRPLZ-INIZCTEOSA-N 0 0 419.525 5.447 50 0 HKAARN C[C@H](c1ccccc1F)N(Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CC1 ZINC000040158179 571204744 /nfs/dbraw/zinc/20/47/44/571204744.db2.gz FFKVXRQDPFRPLZ-MRXNPFEDSA-N 0 0 419.525 5.447 50 0 HKAARN CC(C)Oc1nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)s1 ZINC000040158207 571204698 /nfs/dbraw/zinc/20/46/98/571204698.db2.gz OSBLMGCOXQJAKS-UHFFFAOYSA-N 0 0 403.495 5.102 50 0 HKAARN CC(=O)N(c1nc(CN(C)Cc2ccc(F)cc2F)cs1)c1ccc(C)cc1 ZINC000040158342 571205038 /nfs/dbraw/zinc/20/50/38/571205038.db2.gz MFFIUOYCKCZXQF-UHFFFAOYSA-N 0 0 401.482 5.046 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000040158524 571204893 /nfs/dbraw/zinc/20/48/93/571204893.db2.gz DNZZTBLOTOYUDT-UHFFFAOYSA-N 0 0 414.490 5.436 50 0 HKAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1C ZINC000040158548 571204888 /nfs/dbraw/zinc/20/48/88/571204888.db2.gz XSCIFMNHKRKMBP-FQEVSTJZSA-N 0 0 400.522 6.078 50 0 HKAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1C ZINC000040158549 571204976 /nfs/dbraw/zinc/20/49/76/571204976.db2.gz XSCIFMNHKRKMBP-HXUWFJFHSA-N 0 0 400.522 6.078 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000040158556 568627036 /nfs/dbraw/zinc/62/70/36/568627036.db2.gz CNWZICDZDRFJRN-SFHVURJKSA-N 0 0 404.558 5.510 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000040158557 571204996 /nfs/dbraw/zinc/20/49/96/571204996.db2.gz CNWZICDZDRFJRN-GOSISDBHSA-N 0 0 404.558 5.510 50 0 HKAARN COc1ccccc1-n1c(C)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000040158807 571205190 /nfs/dbraw/zinc/20/51/90/571205190.db2.gz PZQCGMRDKIRWLL-QHCPKHFHSA-N 0 0 415.518 5.301 50 0 HKAARN COc1ccccc1-n1c(C)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000040158808 571205265 /nfs/dbraw/zinc/20/52/65/571205265.db2.gz PZQCGMRDKIRWLL-HSZRJFAPSA-N 0 0 415.518 5.301 50 0 HKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2c(s1)CCC2 ZINC000040159469 571205351 /nfs/dbraw/zinc/20/53/51/571205351.db2.gz BNFXOFAKJOHIGX-UHFFFAOYSA-N 0 0 401.484 5.143 50 0 HKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000040159971 525673694 /nfs/dbraw/zinc/67/36/94/525673694.db2.gz REUKAPQEYDJQRH-UHFFFAOYSA-N 0 0 402.441 6.121 50 0 HKAARN CCCCCc1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000040160097 520323693 /nfs/dbraw/zinc/32/36/93/520323693.db2.gz COQKRZAJNHPHLC-UHFFFAOYSA-N 0 0 423.294 5.041 50 0 HKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccc(Cl)nc1 ZINC000040160144 527540144 /nfs/dbraw/zinc/54/01/44/527540144.db2.gz UDPMOLCVPJYXJG-UHFFFAOYSA-N 0 0 408.914 5.471 50 0 HKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000040160236 527502190 /nfs/dbraw/zinc/50/21/90/527502190.db2.gz ZQKSFAXBYPWISV-UHFFFAOYSA-N 0 0 409.474 5.068 50 0 HKAARN CC(=O)Nc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 ZINC000040161140 519708731 /nfs/dbraw/zinc/70/87/31/519708731.db2.gz NKQUJSPBHYYCTP-JXAWBTAJSA-N 0 0 410.502 5.720 50 0 HKAARN Cc1ccccc1NC(=O)Cc1nc(COc2cc(Cl)ccc2Cl)cs1 ZINC000040161669 525245472 /nfs/dbraw/zinc/24/54/72/525245472.db2.gz ARFRAAVVNCZIOY-UHFFFAOYSA-N 0 0 407.322 5.519 50 0 HKAARN C[C@H](OC(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 ZINC000040161922 525885535 /nfs/dbraw/zinc/88/55/35/525885535.db2.gz KYZXOWCOPHAJBJ-KRWDZBQOSA-N 0 0 403.503 5.707 50 0 HKAARN C[C@@H](OC(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 ZINC000040161923 525888914 /nfs/dbraw/zinc/88/89/14/525888914.db2.gz KYZXOWCOPHAJBJ-QGZVFWFLSA-N 0 0 403.503 5.707 50 0 HKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc2ccccc2c1 ZINC000040162148 521695021 /nfs/dbraw/zinc/69/50/21/521695021.db2.gz LNBGHPZEVHDEBW-UHFFFAOYSA-N 0 0 419.912 5.525 50 0 HKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000040216699 519727340 /nfs/dbraw/zinc/72/73/40/519727340.db2.gz RFPBZBSXBABASS-UHFFFAOYSA-N 0 0 405.889 5.369 50 0 HKAARN COc1ccc(-c2nn3c(nc(C)cc3Nc3ccc(Br)cc3)c2C)cc1 ZINC000040216839 523249294 /nfs/dbraw/zinc/24/92/94/523249294.db2.gz RWNFKAKAJXSYMZ-UHFFFAOYSA-N 0 0 423.314 5.528 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000040251450 525226213 /nfs/dbraw/zinc/22/62/13/525226213.db2.gz KXUOTOAYNXRJCW-JOCHJYFZSA-N 0 0 409.533 5.498 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O ZINC000040251451 525226256 /nfs/dbraw/zinc/22/62/56/525226256.db2.gz KXUOTOAYNXRJCW-QFIPXVFZSA-N 0 0 409.533 5.498 50 0 HKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000040251452 525226094 /nfs/dbraw/zinc/22/60/94/525226094.db2.gz SCAOCIGTVGZTLJ-SNMYMPMCSA-N 0 0 407.517 5.579 50 0 HKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000040251453 525227010 /nfs/dbraw/zinc/22/70/10/525227010.db2.gz SCAOCIGTVGZTLJ-XAYKGCCJSA-N 0 0 407.517 5.579 50 0 HKAARN CC(C)(C)c1cc(-c2nn3c(CN4CCCCC4)nnc3s2)cc(C(C)(C)C)c1 ZINC000040266137 518990839 /nfs/dbraw/zinc/99/08/39/518990839.db2.gz CHRKOCLZRYEKSZ-UHFFFAOYSA-N 0 0 411.619 5.434 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)c1OC(C)C ZINC000040266292 524113701 /nfs/dbraw/zinc/11/37/01/524113701.db2.gz RIWCEDSWGSKYRB-KRWDZBQOSA-N 0 0 413.424 5.070 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)c1OC(C)C ZINC000040266293 524175859 /nfs/dbraw/zinc/17/58/59/524175859.db2.gz RIWCEDSWGSKYRB-QGZVFWFLSA-N 0 0 413.424 5.070 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C ZINC000040268809 524113821 /nfs/dbraw/zinc/11/38/21/524113821.db2.gz OEFVPCXXSKFKHE-HNNXBMFYSA-N 0 0 413.424 5.070 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C ZINC000040268810 524175570 /nfs/dbraw/zinc/17/55/70/524175570.db2.gz OEFVPCXXSKFKHE-OAHLLOKOSA-N 0 0 413.424 5.070 50 0 HKAARN O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccc(F)cc1 ZINC000040272826 527026045 /nfs/dbraw/zinc/02/60/45/527026045.db2.gz HJNQUHZPCUDAIH-OAQYLSRUSA-N 0 0 419.544 5.662 50 0 HKAARN O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccc(F)cc1 ZINC000040272829 527033688 /nfs/dbraw/zinc/03/36/88/527033688.db2.gz HJNQUHZPCUDAIH-NRFANRHFSA-N 0 0 419.544 5.662 50 0 HKAARN CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)c1C ZINC000040283394 523654030 /nfs/dbraw/zinc/65/40/30/523654030.db2.gz VZPDYQSTMFDQEF-UHFFFAOYSA-N 0 0 412.946 5.490 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2C(F)(F)F)c1OC ZINC000040286439 524113957 /nfs/dbraw/zinc/11/39/57/524113957.db2.gz XXBCYJOEBPVHMV-ZDUSSCGKSA-N 0 0 417.387 5.032 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2C(F)(F)F)c1OC ZINC000040286441 524175482 /nfs/dbraw/zinc/17/54/82/524175482.db2.gz XXBCYJOEBPVHMV-CYBMUJFWSA-N 0 0 417.387 5.032 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2oc(-c3ccccc3Cl)cc2n1C ZINC000040287947 527590043 /nfs/dbraw/zinc/59/00/43/527590043.db2.gz IVZYJIAXNQBUJT-UHFFFAOYSA-N 0 0 410.905 5.738 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040300854 524284272 /nfs/dbraw/zinc/28/42/72/524284272.db2.gz ANFGIRJMIWHQDU-UHFFFAOYSA-N 0 0 419.912 5.524 50 0 HKAARN Cc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000040300949 524767073 /nfs/dbraw/zinc/76/70/73/524767073.db2.gz OUOHDGIQALZQJV-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccccc2)ccc1Cl ZINC000040301063 525376308 /nfs/dbraw/zinc/37/63/08/525376308.db2.gz KOPPOKHXOZHBSZ-UHFFFAOYSA-N 0 0 405.885 5.216 50 0 HKAARN Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000040301077 525375398 /nfs/dbraw/zinc/37/53/98/525375398.db2.gz ZCPSRILXYGOJMR-UHFFFAOYSA-N 0 0 423.875 5.355 50 0 HKAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Br)c1 ZINC000040301286 527355742 /nfs/dbraw/zinc/35/57/42/527355742.db2.gz MCZSVIZLNQHNID-UHFFFAOYSA-N 0 0 420.310 5.028 50 0 HKAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(Br)cc1 ZINC000040301290 527356159 /nfs/dbraw/zinc/35/61/59/527356159.db2.gz LKKPDMIVILEMEX-UHFFFAOYSA-N 0 0 420.310 5.028 50 0 HKAARN CSc1cccc(NC(=O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 ZINC000040301318 526117366 /nfs/dbraw/zinc/11/73/66/526117366.db2.gz ZPZBLDXKHMFWFO-UHFFFAOYSA-N 0 0 401.535 5.296 50 0 HKAARN O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000040301356 527356509 /nfs/dbraw/zinc/35/65/09/527356509.db2.gz DNLJSDZFOHAGCC-UHFFFAOYSA-N 0 0 410.304 5.573 50 0 HKAARN CSc1cccc(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1 ZINC000040301359 526117062 /nfs/dbraw/zinc/11/70/62/526117062.db2.gz MXJDSYAOIFXNBT-UHFFFAOYSA-N 0 0 421.953 5.641 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000040301369 524284876 /nfs/dbraw/zinc/28/48/76/524284876.db2.gz QSLMHHNLBBBDSK-UHFFFAOYSA-N 0 0 403.913 5.536 50 0 HKAARN CCOc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000040306239 521073979 /nfs/dbraw/zinc/07/39/79/521073979.db2.gz PIOAQPJIGFQWKL-UHFFFAOYSA-N 0 0 419.912 5.318 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000040306245 524284131 /nfs/dbraw/zinc/28/41/31/524284131.db2.gz MMOHPBMVGOQTPZ-UHFFFAOYSA-N 0 0 403.913 5.536 50 0 HKAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040306826 525243984 /nfs/dbraw/zinc/24/39/84/525243984.db2.gz WFAWVJJACSDSJM-UHFFFAOYSA-N 0 0 420.310 5.413 50 0 HKAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040307436 525244764 /nfs/dbraw/zinc/24/47/64/525244764.db2.gz PFBUHYBWLXZVOC-UHFFFAOYSA-N 0 0 410.304 5.957 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccc(Cl)cc2Cl)c(C)c1 ZINC000040307476 525101547 /nfs/dbraw/zinc/10/15/47/525101547.db2.gz XKVVQZLXALYYQN-UHFFFAOYSA-N 0 0 424.331 6.266 50 0 HKAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040307540 525244981 /nfs/dbraw/zinc/24/49/81/525244981.db2.gz WLDQVNXGDUFYHE-UHFFFAOYSA-N 0 0 420.310 5.413 50 0 HKAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccc(Br)cc2)cc1 ZINC000040307563 525101918 /nfs/dbraw/zinc/10/19/18/525101918.db2.gz UKAAGQKACXWKPM-UHFFFAOYSA-N 0 0 420.310 5.413 50 0 HKAARN O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCCc1c[nH]c2ccccc12 ZINC000040309613 527380578 /nfs/dbraw/zinc/38/05/78/527380578.db2.gz IWIDFECJOBYMRO-UHFFFAOYSA-N 0 0 423.516 5.061 50 0 biogenic HKAARN O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NCCc1c[nH]c2ccccc12 ZINC000040309905 527381337 /nfs/dbraw/zinc/38/13/37/527381337.db2.gz IDADCALMOUEMAT-UHFFFAOYSA-N 0 0 423.516 5.061 50 0 biogenic HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000040324715 525953469 /nfs/dbraw/zinc/95/34/69/525953469.db2.gz GGCMLHZRBGDCPU-UHFFFAOYSA-N 0 0 417.317 6.102 50 0 HKAARN Cc1c2cc(F)ccc2oc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000040324724 525955191 /nfs/dbraw/zinc/95/51/91/525955191.db2.gz QTJOEAOWRRBDKQ-UHFFFAOYSA-N 0 0 400.862 5.587 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCOC)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000040354970 521792798 /nfs/dbraw/zinc/79/27/98/521792798.db2.gz CPZYOBJXAVUIPO-KRWDZBQOSA-N 0 0 419.352 5.322 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCOC)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000040354972 521795448 /nfs/dbraw/zinc/79/54/48/521795448.db2.gz CPZYOBJXAVUIPO-QGZVFWFLSA-N 0 0 419.352 5.322 50 0 HKAARN Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1 ZINC000040379749 558825110 /nfs/dbraw/zinc/82/51/10/558825110.db2.gz KYWWJENKIMRJBI-UHFFFAOYSA-N 0 0 422.784 6.702 50 0 in-man HKAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@@H](C)C(=O)NC(C)C ZINC000040388769 524531019 /nfs/dbraw/zinc/53/10/19/524531019.db2.gz IJQPGZPYGFBILR-KRWDZBQOSA-N 0 0 409.555 5.178 50 0 HKAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@H](C)C(=O)NC(C)C ZINC000040388771 524531047 /nfs/dbraw/zinc/53/10/47/524531047.db2.gz IJQPGZPYGFBILR-QGZVFWFLSA-N 0 0 409.555 5.178 50 0 HKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000040389760 521089646 /nfs/dbraw/zinc/08/96/46/521089646.db2.gz GDWROQLQRJJCMI-UHFFFAOYSA-N 0 0 423.944 5.775 50 0 HKAARN COCc1nn2c(ncc3c2ccn(C2CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397789 523246403 /nfs/dbraw/zinc/24/64/03/523246403.db2.gz GRAKPOULIIAHPH-UHFFFAOYSA-N 0 0 422.916 5.016 50 0 HKAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1)c1ccccc1F ZINC000040412543 527226686 /nfs/dbraw/zinc/22/66/86/527226686.db2.gz PISPUUKNRBZLLQ-UHFFFAOYSA-N 0 0 421.447 5.049 50 0 HKAARN CC(C)(C)CC(=O)Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000040412549 518624546 /nfs/dbraw/zinc/62/45/46/518624546.db2.gz IHDOJVKFWNANAL-UHFFFAOYSA-N 0 0 415.484 5.172 50 0 HKAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000040412586 524446121 /nfs/dbraw/zinc/44/61/21/524446121.db2.gz PBUQYZBLQMXWRT-UHFFFAOYSA-N 0 0 414.509 5.471 50 0 HKAARN COc1cc(-c2noc(COCc3ccccc3)n2)ccc1OCc1ccc(C)cc1 ZINC000040413914 521918183 /nfs/dbraw/zinc/91/81/83/521918183.db2.gz OYZNICNFDCMXES-UHFFFAOYSA-N 0 0 416.477 5.349 50 0 HKAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NC(C)C)c2)cc1 ZINC000040416226 526074858 /nfs/dbraw/zinc/07/48/58/526074858.db2.gz WWTJRUOKYIWYFD-UHFFFAOYSA-N 0 0 418.512 5.048 50 0 HKAARN Cc1cccc(NC(=O)c2csc(-c3cccc(OCc4ccccc4F)c3)n2)c1 ZINC000040425055 524664490 /nfs/dbraw/zinc/66/44/90/524664490.db2.gz LOFYZLIUZOKLEP-UHFFFAOYSA-N 0 0 418.493 6.089 50 0 HKAARN CN(C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2)n1)c1ccccc1 ZINC000040425312 523962639 /nfs/dbraw/zinc/96/26/39/523962639.db2.gz PDZBJGLNIOETNZ-UHFFFAOYSA-N 0 0 400.503 5.666 50 0 HKAARN NC1=C(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)C(=O)CN1C1CCCCC1 ZINC000040426272 571317719 /nfs/dbraw/zinc/31/77/19/571317719.db2.gz UYUGOZRLHBKJFP-UHFFFAOYSA-N 0 0 415.562 5.322 50 0 HKAARN CCc1nc(Cl)c(N)c(Oc2c(C)c(C)nn2-c2cc(Cl)cc(Cl)c2)n1 ZINC000040428623 522376900 /nfs/dbraw/zinc/37/69/00/522376900.db2.gz FQYIHVHLYMQFSB-UHFFFAOYSA-N 0 0 412.708 5.176 50 0 HKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccccc3F)CC2)N=C1c1ccccc1 ZINC000040451001 520547942 /nfs/dbraw/zinc/54/79/42/520547942.db2.gz KNCVPPPURUHIHD-UHFFFAOYSA-N 0 0 424.545 5.194 50 0 HKAARN CSc1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000040451026 526132065 /nfs/dbraw/zinc/13/20/65/526132065.db2.gz IIHUMWNMGCTAJA-QGZVFWFLSA-N 0 0 411.571 5.236 50 0 HKAARN CSc1cccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000040451027 526131441 /nfs/dbraw/zinc/13/14/41/526131441.db2.gz IIHUMWNMGCTAJA-KRWDZBQOSA-N 0 0 411.571 5.236 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000040451070 525868319 /nfs/dbraw/zinc/86/83/19/525868319.db2.gz OEQKIVCLLINYKK-RUZDIDTESA-N 0 0 416.546 5.121 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000040451071 526047647 /nfs/dbraw/zinc/04/76/47/526047647.db2.gz OEQKIVCLLINYKK-VWLOTQADSA-N 0 0 416.546 5.121 50 0 HKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000040451102 525868342 /nfs/dbraw/zinc/86/83/42/525868342.db2.gz GJYFWMRLDBZZBF-RUZDIDTESA-N 0 0 416.546 5.121 50 0 HKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cccc(C)c2)cc1 ZINC000040451103 526047489 /nfs/dbraw/zinc/04/74/89/526047489.db2.gz GJYFWMRLDBZZBF-VWLOTQADSA-N 0 0 416.546 5.121 50 0 HKAARN CCCCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 ZINC000040454500 520848646 /nfs/dbraw/zinc/84/86/46/520848646.db2.gz SBCMZZGQDXMFNX-UHFFFAOYSA-N 0 0 401.510 5.007 50 0 HKAARN O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)CN1c1ccccc1 ZINC000040454677 527024591 /nfs/dbraw/zinc/02/45/91/527024591.db2.gz UWIWZQJXMNOBGE-QGZVFWFLSA-N 0 0 415.424 5.189 50 0 HKAARN O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)CN1c1ccccc1 ZINC000040454679 527034097 /nfs/dbraw/zinc/03/40/97/527034097.db2.gz UWIWZQJXMNOBGE-KRWDZBQOSA-N 0 0 415.424 5.189 50 0 HKAARN Cc1c2cc(C)ccc2oc1-c1noc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000040455037 525951634 /nfs/dbraw/zinc/95/16/34/525951634.db2.gz ORLQSSSAWSZLQG-QGZVFWFLSA-N 0 0 401.466 5.237 50 0 HKAARN Cc1c2cc(C)ccc2oc1-c1noc([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000040455040 525951442 /nfs/dbraw/zinc/95/14/42/525951442.db2.gz ORLQSSSAWSZLQG-KRWDZBQOSA-N 0 0 401.466 5.237 50 0 HKAARN Cc1c2cc(C)ccc2oc1-c1noc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 ZINC000040455049 525952163 /nfs/dbraw/zinc/95/21/63/525952163.db2.gz BBRBDTJQGNOMET-CQSZACIVSA-N 0 0 407.857 5.274 50 0 HKAARN Cc1c2cc(C)ccc2oc1-c1noc([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 ZINC000040455051 525951168 /nfs/dbraw/zinc/95/11/68/525951168.db2.gz BBRBDTJQGNOMET-AWEZNQCLSA-N 0 0 407.857 5.274 50 0 HKAARN FC(F)(F)Sc1c(Br)cc(Br)cc1Br ZINC000040456686 527676671 /nfs/dbraw/zinc/67/66/71/527676671.db2.gz ZJDHXWULFQHNIW-UHFFFAOYSA-N 0 0 414.866 5.586 50 0 HKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478257 527248347 /nfs/dbraw/zinc/24/83/47/527248347.db2.gz DFPUODVBFKBFBR-UHFFFAOYSA-N 0 0 403.869 5.561 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478286 527173438 /nfs/dbraw/zinc/17/34/38/527173438.db2.gz WIUXBAYJWICJHY-UHFFFAOYSA-N 0 0 400.187 5.655 50 0 HKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478299 527184966 /nfs/dbraw/zinc/18/49/66/527184966.db2.gz ZFTPILRZAMIIBW-UHFFFAOYSA-N 0 0 411.086 5.398 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478303 522515939 /nfs/dbraw/zinc/51/59/39/522515939.db2.gz ZDSSCTCXURTUJQ-UHFFFAOYSA-N 0 0 420.694 5.062 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3n3c2nc(-c2cccc(OC)c2)cc3=O)cc1 ZINC000040484382 519319013 /nfs/dbraw/zinc/31/90/13/519319013.db2.gz QHUKBJCUUVXHLP-UHFFFAOYSA-N 0 0 407.473 5.016 50 0 HKAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4c(C)cc(C)cc4C)c3n2)c1 ZINC000040484661 525699233 /nfs/dbraw/zinc/69/92/33/525699233.db2.gz NEOAJGADHRCBGA-UHFFFAOYSA-N 0 0 423.516 5.298 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3n3c2nc(-c2ccc(OC)cc2)cc3=O)cc1 ZINC000040484687 519318341 /nfs/dbraw/zinc/31/83/41/519318341.db2.gz ZSNGAXPPQKVCPI-UHFFFAOYSA-N 0 0 407.473 5.016 50 0 HKAARN C=Cc1ccc(Cn2c3ccccc3n3c2nc(-c2cccc(Cl)c2)cc3=O)cc1 ZINC000040484689 519319841 /nfs/dbraw/zinc/31/98/41/519319841.db2.gz GYVIYZXOMDKLHP-UHFFFAOYSA-N 0 0 411.892 5.661 50 0 HKAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)cc1 ZINC000040484715 523089854 /nfs/dbraw/zinc/08/98/54/523089854.db2.gz XMTDCZCIWIXZHV-UHFFFAOYSA-N 0 0 415.880 5.027 50 0 HKAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)c1 ZINC000040484717 525698100 /nfs/dbraw/zinc/69/81/00/525698100.db2.gz HBRIQWKEYGUENN-UHFFFAOYSA-N 0 0 415.880 5.027 50 0 HKAARN O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccccc3F)c3ccccc3n21 ZINC000040484739 527472519 /nfs/dbraw/zinc/47/25/19/527472519.db2.gz SRDLCDLVGCQFIL-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2cccc(Cl)c2)nc2n(Cc3ccccc3F)c3ccccc3n21 ZINC000040484743 527474601 /nfs/dbraw/zinc/47/46/01/527474601.db2.gz KXPMHTXHCHMXGI-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2cccc(Cl)c2)nc2n(Cc3cccc(F)c3)c3ccccc3n21 ZINC000040484759 527472706 /nfs/dbraw/zinc/47/27/06/527472706.db2.gz UFOFCIUXKREPSS-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2ccccc2)nc2n(Cc3c(F)cccc3Cl)c3ccccc3n21 ZINC000040484767 527473612 /nfs/dbraw/zinc/47/36/12/527473612.db2.gz NPVLBLANUYGMJC-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n21 ZINC000040484775 527472217 /nfs/dbraw/zinc/47/22/17/527472217.db2.gz MKUHBEODVAUVJS-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN Cc1cc(C)c(Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)c(C)c1 ZINC000040484783 524277217 /nfs/dbraw/zinc/27/72/17/524277217.db2.gz VDCAOQUFAICVIH-UHFFFAOYSA-N 0 0 411.480 5.429 50 0 HKAARN O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccc(Cl)cc3)c3ccccc3n21 ZINC000040484790 527472942 /nfs/dbraw/zinc/47/29/42/527472942.db2.gz QWWIYZGYMPJRJH-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2ccc(F)cc2)nc2n(Cc3cccc(Cl)c3)c3ccccc3n21 ZINC000040484793 527472633 /nfs/dbraw/zinc/47/26/33/527472633.db2.gz YFFOFDABRCBIHI-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccccc3Cl)c3ccccc3n21 ZINC000040484920 527472957 /nfs/dbraw/zinc/47/29/57/527472957.db2.gz VSMILUNAXPOGBS-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1cc(-c2ccccc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n21 ZINC000040485122 527474035 /nfs/dbraw/zinc/47/40/35/527474035.db2.gz UBKDIBQKYKWXOJ-UHFFFAOYSA-N 0 0 419.406 5.383 50 0 HKAARN COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(Cl)c4)c3n2)cc1 ZINC000040485137 523088641 /nfs/dbraw/zinc/08/86/41/523088641.db2.gz BRBZWRZFRLQGEP-UHFFFAOYSA-N 0 0 415.880 5.027 50 0 HKAARN O=c1cc(-c2ccc(F)cc2)nc2n(Cc3c(F)cccc3Cl)c3ccccc3n21 ZINC000040485159 527473221 /nfs/dbraw/zinc/47/32/21/527473221.db2.gz NPAGGWSSZUBYLJ-UHFFFAOYSA-N 0 0 421.834 5.296 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485282 523871762 /nfs/dbraw/zinc/87/17/62/523871762.db2.gz LZHHFZFFEFIRLP-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485285 523871568 /nfs/dbraw/zinc/87/15/68/523871568.db2.gz LZHHFZFFEFIRLP-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000040485333 526958879 /nfs/dbraw/zinc/95/88/79/526958879.db2.gz PZMHRRPXRMFQMH-OAQYLSRUSA-N 0 0 410.300 6.046 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000040485336 526958764 /nfs/dbraw/zinc/95/87/64/526958764.db2.gz PZMHRRPXRMFQMH-NRFANRHFSA-N 0 0 410.300 6.046 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485339 524230014 /nfs/dbraw/zinc/23/00/14/524230014.db2.gz PYWXWWDILDIPTA-JOCHJYFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485342 524230766 /nfs/dbraw/zinc/23/07/66/524230766.db2.gz PYWXWWDILDIPTA-QFIPXVFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 ZINC000040485345 524231006 /nfs/dbraw/zinc/23/10/06/524231006.db2.gz BMZCLOXYOHYAFE-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)cc1 ZINC000040485348 524230822 /nfs/dbraw/zinc/23/08/22/524230822.db2.gz BMZCLOXYOHYAFE-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485368 524019288 /nfs/dbraw/zinc/01/92/88/524019288.db2.gz WMXWCTSEIBWAOA-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485371 524018758 /nfs/dbraw/zinc/01/87/58/524018758.db2.gz WMXWCTSEIBWAOA-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2F)c1 ZINC000040485456 525928160 /nfs/dbraw/zinc/92/81/60/525928160.db2.gz POMDGHUDCRBBDP-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 ZINC000040485459 525928355 /nfs/dbraw/zinc/92/83/55/525928355.db2.gz POMDGHUDCRBBDP-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000040485474 525928531 /nfs/dbraw/zinc/92/85/31/525928531.db2.gz WYEXFJJTCIRTRP-RUZDIDTESA-N 0 0 413.517 5.871 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000040485477 525928974 /nfs/dbraw/zinc/92/89/74/525928974.db2.gz WYEXFJJTCIRTRP-VWLOTQADSA-N 0 0 413.517 5.871 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485504 524229005 /nfs/dbraw/zinc/22/90/05/524229005.db2.gz RKEWZTQBIDRTGH-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485507 524228951 /nfs/dbraw/zinc/22/89/51/524228951.db2.gz RKEWZTQBIDRTGH-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485510 523871815 /nfs/dbraw/zinc/87/18/15/523871815.db2.gz KLSFJKSQYWJURM-JOCHJYFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040485513 523872429 /nfs/dbraw/zinc/87/24/29/523872429.db2.gz KLSFJKSQYWJURM-QFIPXVFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000040485521 523871711 /nfs/dbraw/zinc/87/17/11/523871711.db2.gz RTEBUNUBLMFBLL-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 ZINC000040485524 523871688 /nfs/dbraw/zinc/87/16/88/523871688.db2.gz RTEBUNUBLMFBLL-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000040485659 524229133 /nfs/dbraw/zinc/22/91/33/524229133.db2.gz XSLXSEFNCPDUKX-JOCHJYFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000040485662 524228398 /nfs/dbraw/zinc/22/83/98/524228398.db2.gz XSLXSEFNCPDUKX-QFIPXVFZSA-N 0 0 424.327 6.355 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000040485695 525990737 /nfs/dbraw/zinc/99/07/37/525990737.db2.gz LDLDYNHCXKOTKE-XMMPIXPASA-N 0 0 415.558 6.078 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000040485698 525989533 /nfs/dbraw/zinc/98/95/33/525989533.db2.gz LDLDYNHCXKOTKE-DEOSSOPVSA-N 0 0 415.558 6.078 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000040485701 525991627 /nfs/dbraw/zinc/99/16/27/525991627.db2.gz RMQJDVUXCUNKHL-JOCHJYFZSA-N 0 0 405.494 5.600 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000040485704 525991637 /nfs/dbraw/zinc/99/16/37/525991637.db2.gz RMQJDVUXCUNKHL-QFIPXVFZSA-N 0 0 405.494 5.600 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000040485740 523871742 /nfs/dbraw/zinc/87/17/42/523871742.db2.gz IYACLPZPRVUCEA-JOCHJYFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000040485743 523872201 /nfs/dbraw/zinc/87/22/01/523872201.db2.gz IYACLPZPRVUCEA-QFIPXVFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 ZINC000040485810 524018794 /nfs/dbraw/zinc/01/87/94/524018794.db2.gz GGHVOOLGZDGBBJ-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000040485813 524018587 /nfs/dbraw/zinc/01/85/87/524018587.db2.gz GGHVOOLGZDGBBJ-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 ZINC000040485816 525928610 /nfs/dbraw/zinc/92/86/10/525928610.db2.gz PPMJLNOAXNWANV-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 ZINC000040485819 525927747 /nfs/dbraw/zinc/92/77/47/525927747.db2.gz PPMJLNOAXNWANV-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000040485914 523871819 /nfs/dbraw/zinc/87/18/19/523871819.db2.gz XZBONDBRFFZKDM-XMMPIXPASA-N 0 0 414.505 5.266 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000040485916 523871845 /nfs/dbraw/zinc/87/18/45/523871845.db2.gz XZBONDBRFFZKDM-DEOSSOPVSA-N 0 0 414.505 5.266 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040485965 524231135 /nfs/dbraw/zinc/23/11/35/524231135.db2.gz BGQYYEMWWZLJTD-HXUWFJFHSA-N 0 0 424.294 5.403 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000040485968 524231244 /nfs/dbraw/zinc/23/12/44/524231244.db2.gz BGQYYEMWWZLJTD-FQEVSTJZSA-N 0 0 424.294 5.403 50 0 HKAARN O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000040485982 526958639 /nfs/dbraw/zinc/95/86/39/526958639.db2.gz OAHJVOOBACRKQN-LJQANCHMSA-N 0 0 410.267 5.095 50 0 HKAARN O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000040485985 526958600 /nfs/dbraw/zinc/95/86/00/526958600.db2.gz OAHJVOOBACRKQN-IBGZPJMESA-N 0 0 410.267 5.095 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000040485988 524230913 /nfs/dbraw/zinc/23/09/13/524230913.db2.gz CKRRIKKXORLHCC-HXUWFJFHSA-N 0 0 424.294 5.403 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1 ZINC000040485991 524231335 /nfs/dbraw/zinc/23/13/35/524231335.db2.gz CKRRIKKXORLHCC-FQEVSTJZSA-N 0 0 424.294 5.403 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000040486006 524019453 /nfs/dbraw/zinc/01/94/53/524019453.db2.gz CQABDIZBZCTRCK-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000040486009 524019719 /nfs/dbraw/zinc/01/97/19/524019719.db2.gz CQABDIZBZCTRCK-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000040486010 524018762 /nfs/dbraw/zinc/01/87/62/524018762.db2.gz BYQIVVQUBGCKCY-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000040486012 524018935 /nfs/dbraw/zinc/01/89/35/524018935.db2.gz BYQIVVQUBGCKCY-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000040486014 524228441 /nfs/dbraw/zinc/22/84/41/524228441.db2.gz DADPRVFNMKHPPU-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000040486016 524228219 /nfs/dbraw/zinc/22/82/19/524228219.db2.gz DADPRVFNMKHPPU-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000040486031 525989685 /nfs/dbraw/zinc/98/96/85/525989685.db2.gz WIJPPYFHDVUFGJ-HSZRJFAPSA-N 0 0 419.521 5.909 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000040486034 525989286 /nfs/dbraw/zinc/98/92/86/525989286.db2.gz WIJPPYFHDVUFGJ-QHCPKHFHSA-N 0 0 419.521 5.909 50 0 HKAARN Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3cccc4ccccc43)=NN1C1(CCCC1)O2 ZINC000040486307 526927573 /nfs/dbraw/zinc/92/75/73/526927573.db2.gz ALMJAUPPOROVQM-QFIPXVFZSA-N 0 0 423.343 6.960 50 0 HKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3cccc4ccccc43)=NN1C1(CCCC1)O2 ZINC000040486309 526927665 /nfs/dbraw/zinc/92/76/65/526927665.db2.gz ALMJAUPPOROVQM-JOCHJYFZSA-N 0 0 423.343 6.960 50 0 HKAARN CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000040486318 520614262 /nfs/dbraw/zinc/61/42/62/520614262.db2.gz FPBUJUNZMGOZGI-FQEVSTJZSA-N 0 0 407.311 5.882 50 0 HKAARN CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3cccc4ccccc43)=NN21 ZINC000040486320 520614412 /nfs/dbraw/zinc/61/44/12/520614412.db2.gz FPBUJUNZMGOZGI-HXUWFJFHSA-N 0 0 407.311 5.882 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2OC3(C)C)cc1OC ZINC000040486325 523878326 /nfs/dbraw/zinc/87/83/26/523878326.db2.gz JFBGKDMFPHZKFE-INIZCTEOSA-N 0 0 407.297 5.290 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2OC3(C)C)cc1OC ZINC000040486327 523880270 /nfs/dbraw/zinc/88/02/70/523880270.db2.gz JFBGKDMFPHZKFE-MRXNPFEDSA-N 0 0 407.297 5.290 50 0 HKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1C ZINC000040486440 525265229 /nfs/dbraw/zinc/26/52/29/525265229.db2.gz XLXCNQGJRBPZAV-UHFFFAOYSA-N 0 0 417.534 5.886 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c(OC)c1 ZINC000040487486 523878221 /nfs/dbraw/zinc/87/82/21/523878221.db2.gz NWPKBOCTGCIDNO-XUZZJYLKSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c(OC)c1 ZINC000040487487 523880164 /nfs/dbraw/zinc/88/01/64/523880164.db2.gz NWPKBOCTGCIDNO-ZJSXRUAMSA-N 0 0 420.896 5.600 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000040487488 526418830 /nfs/dbraw/zinc/41/88/30/526418830.db2.gz VVYYZXQNNUZIFX-XTEPFMGCSA-N 0 0 420.487 6.735 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000040487489 526418564 /nfs/dbraw/zinc/41/85/64/526418564.db2.gz VVYYZXQNNUZIFX-IXCJQBJRSA-N 0 0 420.487 6.735 50 0 HKAARN S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000040487516 526385734 /nfs/dbraw/zinc/38/57/34/526385734.db2.gz KZBAMOIOGRXNBO-SFMHNSJBSA-N 0 0 423.585 6.680 50 0 HKAARN S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000040487517 526385044 /nfs/dbraw/zinc/38/50/44/526385044.db2.gz KZBAMOIOGRXNBO-WZLFYSJBSA-N 0 0 423.585 6.680 50 0 HKAARN S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000040487518 526385578 /nfs/dbraw/zinc/38/55/78/526385578.db2.gz KZBAMOIOGRXNBO-OTFGQMRCSA-N 0 0 423.585 6.680 50 0 HKAARN S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000040487519 526385083 /nfs/dbraw/zinc/38/50/83/526385083.db2.gz KZBAMOIOGRXNBO-ORIBZPJRSA-N 0 0 423.585 6.680 50 0 HKAARN CCOc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1 ZINC000040487545 521308487 /nfs/dbraw/zinc/30/84/87/521308487.db2.gz LFHSTCLMZABLJX-FQEVSTJZSA-N 0 0 412.580 5.587 50 0 HKAARN CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1 ZINC000040487546 521308619 /nfs/dbraw/zinc/30/86/19/521308619.db2.gz LFHSTCLMZABLJX-HXUWFJFHSA-N 0 0 412.580 5.587 50 0 HKAARN O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccc(Cl)cc1 ZINC000040488329 526973499 /nfs/dbraw/zinc/97/34/99/526973499.db2.gz JBKUAYFEOMOWPV-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccc(Cl)cc1 ZINC000040488332 526972660 /nfs/dbraw/zinc/97/26/60/526972660.db2.gz SHDMRWCTHSAVLY-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)Nc1ccc(F)cc1 ZINC000040488348 526973217 /nfs/dbraw/zinc/97/32/17/526973217.db2.gz PJLUNAIULRPAOF-NTEUORMPSA-N 0 0 415.424 5.064 50 0 HKAARN Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000040488356 525798132 /nfs/dbraw/zinc/79/81/32/525798132.db2.gz SXHJXKZRBTZTLA-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)c1 ZINC000040488357 524117368 /nfs/dbraw/zinc/11/73/68/524117368.db2.gz HOZLPXVEIKGXLX-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)no1 ZINC000040488358 525009171 /nfs/dbraw/zinc/00/91/71/525009171.db2.gz QVRSQIWQHAUPKR-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1 ZINC000040488359 526987044 /nfs/dbraw/zinc/98/70/44/526987044.db2.gz IXUFOTZNYMWAFM-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1ccccc1-c1noc(-c2cccc(F)c2)n1)Nc1ccc(Cl)cc1 ZINC000040488360 526987241 /nfs/dbraw/zinc/98/72/41/526987241.db2.gz XINRJYPYXMJFHW-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)Nc1ccc(Cl)cc1 ZINC000040488361 526987211 /nfs/dbraw/zinc/98/72/11/526987211.db2.gz RYFNGXKSCMASBQ-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000040488429 527050999 /nfs/dbraw/zinc/05/09/99/527050999.db2.gz DQELYSJFWVGDLV-UHFFFAOYSA-N 0 0 420.921 6.393 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000040566647 527261315 /nfs/dbraw/zinc/26/13/15/527261315.db2.gz QQSCBHIFJGHKLD-UHFFFAOYSA-N 0 0 405.608 5.433 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000040566648 527261336 /nfs/dbraw/zinc/26/13/36/527261336.db2.gz VNQQSSPRDOAJHA-UHFFFAOYSA-N 0 0 421.607 5.313 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)s1 ZINC000040566649 527261077 /nfs/dbraw/zinc/26/10/77/527261077.db2.gz VUTXQUTXCHDWHJ-UHFFFAOYSA-N 0 0 422.536 5.239 50 0 HKAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1C(F)(F)F ZINC000040566653 527261497 /nfs/dbraw/zinc/26/14/97/527261497.db2.gz TYRAJSOTUQONFN-UHFFFAOYSA-N 0 0 405.608 5.433 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nn3c(nnc3-c3ccc(Cl)cc3)s2)CC1 ZINC000041076512 519919304 /nfs/dbraw/zinc/91/93/04/519919304.db2.gz VYCBJHJXMXXSHX-UHFFFAOYSA-N 0 0 417.966 5.441 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc1 ZINC000041076532 519021518 /nfs/dbraw/zinc/02/15/18/519021518.db2.gz PYAAIICYVXSNNO-UHFFFAOYSA-N 0 0 411.918 5.056 50 0 HKAARN CCCCC1CCC(C(=O)Nc2nn3c(nnc3-c3ccc(C)c(F)c3)s2)CC1 ZINC000041076571 519919706 /nfs/dbraw/zinc/91/97/06/519919706.db2.gz QBOURPSPXFFZFJ-UHFFFAOYSA-N 0 0 415.538 5.235 50 0 HKAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C(F)(F)F ZINC000041076931 521284092 /nfs/dbraw/zinc/28/40/92/521284092.db2.gz CSGXWROYTWLOKB-UHFFFAOYSA-N 0 0 417.431 5.218 50 0 HKAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000041076945 521284475 /nfs/dbraw/zinc/28/44/75/521284475.db2.gz VRTTZMFIQQAZNG-UHFFFAOYSA-N 0 0 417.431 5.218 50 0 HKAARN CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000041076958 519718288 /nfs/dbraw/zinc/71/82/88/519718288.db2.gz GHGGEDTWNHSNNJ-UHFFFAOYSA-N 0 0 417.431 5.237 50 0 HKAARN CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000041076961 519718283 /nfs/dbraw/zinc/71/82/83/519718283.db2.gz HHFXUOBNOMZSKP-UHFFFAOYSA-N 0 0 401.869 5.011 50 0 HKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000041078091 521680442 /nfs/dbraw/zinc/68/04/42/521680442.db2.gz KRCIRJPSYQXNRI-UHFFFAOYSA-N 0 0 415.896 5.382 50 0 HKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000041078092 521679929 /nfs/dbraw/zinc/67/99/29/521679929.db2.gz GKNNDIKUBHVCAW-UHFFFAOYSA-N 0 0 411.933 5.551 50 0 HKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)cc1Cl ZINC000041078094 521680372 /nfs/dbraw/zinc/68/03/72/521680372.db2.gz WYKMJYQYVREIQJ-UHFFFAOYSA-N 0 0 411.933 5.551 50 0 HKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(Cl)c1C ZINC000041078099 521679987 /nfs/dbraw/zinc/67/99/87/521679987.db2.gz LIMYKVXFGVFYEU-UHFFFAOYSA-N 0 0 411.933 5.551 50 0 HKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(SC)c1 ZINC000041078105 521680155 /nfs/dbraw/zinc/68/01/55/521680155.db2.gz REMFELHLAOUTFC-UHFFFAOYSA-N 0 0 409.555 5.311 50 0 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C[C@H](NC(=O)OC[C@@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)c1ccccc1 ZINC000043762406 569012964 /nfs/dbraw/zinc/01/29/64/569012964.db2.gz OTPRDMIDMOUNFB-PNLZDCPESA-N 0 0 417.640 6.177 50 0 HKAARN CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=C[C@@H]1C ZINC000043763371 569012969 /nfs/dbraw/zinc/01/29/69/569012969.db2.gz VMOACLMIYWWIPS-MZBJOSPHSA-N 0 0 400.518 5.559 50 0 HKAARN CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@@H]1C ZINC000043763372 569012945 /nfs/dbraw/zinc/01/29/45/569012945.db2.gz NOGVPUGKGCXXCZ-MZBJOSPHSA-N 0 0 402.534 5.783 50 0 HKAARN CC(C)(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000043763651 569012925 /nfs/dbraw/zinc/01/29/25/569012925.db2.gz UPNNOJXTORMLJQ-RUZDIDTESA-N 0 0 401.550 5.847 50 0 HKAARN C[C@@H]1CC(C)(C)/C(=C\c2ccc([N+](=O)[O-])cc2)C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000043763788 569012928 /nfs/dbraw/zinc/01/29/28/569012928.db2.gz OLKVAOFEXNVLEV-RVUKMNOKSA-N 0 0 420.469 5.269 50 0 HKAARN C[C@@H]1CC(C)(C)/C(=C\c2ccc([N+](=O)[O-])cc2)C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000043763790 569012959 /nfs/dbraw/zinc/01/29/59/569012959.db2.gz OLKVAOFEXNVLEV-RGDBIWLVSA-N 0 0 420.469 5.269 50 0 HKAARN C/C=C(\CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000043763839 560085537 /nfs/dbraw/zinc/08/55/37/560085537.db2.gz OSELKOCHBMDKEJ-LZTRQUSUSA-N 0 0 412.702 7.945 50 0 biogenic,in-vitro HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCOc1ccc(F)cc1 ZINC000043767680 526843923 /nfs/dbraw/zinc/84/39/23/526843923.db2.gz GQARIFTZJFGUTK-UHFFFAOYSA-N 0 0 420.843 5.171 50 0 HKAARN CC(=O)c1sc(N(C(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)nc1C ZINC000043779615 518496533 /nfs/dbraw/zinc/49/65/33/518496533.db2.gz OTUPPQVJOCZQCP-UHFFFAOYSA-N 0 0 400.422 5.746 50 0 HKAARN CC(=O)c1sc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)nc1C ZINC000043779618 518497001 /nfs/dbraw/zinc/49/70/01/518497001.db2.gz BHVMXHMTOTXLSE-UHFFFAOYSA-N 0 0 404.413 5.651 50 0 HKAARN C[C@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccc(Cl)cc1 ZINC000043804415 526004527 /nfs/dbraw/zinc/00/45/27/526004527.db2.gz DSEKWZZCKYIREV-NSHDSACASA-N 0 0 411.836 5.492 50 0 HKAARN C[C@@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccc(Cl)cc1 ZINC000043804419 526004043 /nfs/dbraw/zinc/00/40/43/526004043.db2.gz DSEKWZZCKYIREV-LLVKDONJSA-N 0 0 411.836 5.492 50 0 HKAARN C[C@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccccc1Cl ZINC000043804428 526005335 /nfs/dbraw/zinc/00/53/35/526005335.db2.gz JXYBLORGBCOFIB-NSHDSACASA-N 0 0 411.836 5.492 50 0 HKAARN C[C@@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccccc1Cl ZINC000043804431 526004251 /nfs/dbraw/zinc/00/42/51/526004251.db2.gz JXYBLORGBCOFIB-LLVKDONJSA-N 0 0 411.836 5.492 50 0 HKAARN FC(F)(F)c1cnc(NC[C@@H]2CC(c3ccccc3C(F)(F)F)=NO2)c(Cl)c1 ZINC000043804489 527689319 /nfs/dbraw/zinc/68/93/19/527689319.db2.gz XBUUQIQNIUVTFH-JTQLQIEISA-N 0 0 423.744 5.378 50 0 HKAARN FC(F)(F)c1cnc(NC[C@H]2CC(c3ccccc3C(F)(F)F)=NO2)c(Cl)c1 ZINC000043804492 527689620 /nfs/dbraw/zinc/68/96/20/527689620.db2.gz XBUUQIQNIUVTFH-SNVBAGLBSA-N 0 0 423.744 5.378 50 0 HKAARN O=C(Nc1cccc(C2SCCCS2)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000043833022 527335525 /nfs/dbraw/zinc/33/55/25/527335525.db2.gz QUHIORDUHYRPTC-UHFFFAOYSA-N 0 0 412.580 5.582 50 0 HKAARN Cc1nc(CSc2nnc(NC(=O)C3(c4cccs4)CCCC3)s2)cs1 ZINC000043939681 526916234 /nfs/dbraw/zinc/91/62/34/526916234.db2.gz JSRSQYBGHOVENI-UHFFFAOYSA-N 0 0 422.626 5.107 50 0 HKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000043960608 519748023 /nfs/dbraw/zinc/74/80/23/519748023.db2.gz RMKJIWDCMFFHJG-LBPRGKRZSA-N 0 0 411.449 5.182 50 0 HKAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000043960611 519746454 /nfs/dbraw/zinc/74/64/54/519746454.db2.gz RMKJIWDCMFFHJG-GFCCVEGCSA-N 0 0 411.449 5.182 50 0 HKAARN COc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1F ZINC000043980875 525309316 /nfs/dbraw/zinc/30/93/16/525309316.db2.gz VEKCKMHLPDLZPA-ZDUSSCGKSA-N 0 0 413.474 5.031 50 0 HKAARN COc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1F ZINC000043980880 525139753 /nfs/dbraw/zinc/13/97/53/525139753.db2.gz VEKCKMHLPDLZPA-CYBMUJFWSA-N 0 0 413.474 5.031 50 0 HKAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000044017762 559101720 /nfs/dbraw/zinc/10/17/20/559101720.db2.gz KRRJKLWOPXXZGP-HNNXBMFYSA-N 0 0 407.417 5.564 50 0 HKAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000044017763 559101695 /nfs/dbraw/zinc/10/16/95/559101695.db2.gz KRRJKLWOPXXZGP-OAHLLOKOSA-N 0 0 407.417 5.564 50 0 HKAARN COc1ccccc1/C=C/c1ccc(-c2ccc(/C=C\c3ccccc3OC)cc2)cc1 ZINC000044069249 524320054 /nfs/dbraw/zinc/32/00/54/524320054.db2.gz HZAWHDJKNZWAAR-KBNZVFGVSA-N 0 0 418.536 7.712 50 0 HKAARN Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000044069405 518208051 /nfs/dbraw/zinc/20/80/51/518208051.db2.gz NKCKVJVKWGWKRK-UHFFFAOYSA-N 0 0 400.319 7.586 50 0 HKAARN Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl ZINC000044069512 527474728 /nfs/dbraw/zinc/47/47/28/527474728.db2.gz CIZUMWWHWPJAAK-UHFFFAOYSA-N 0 0 417.339 6.521 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000044076068 525457657 /nfs/dbraw/zinc/45/76/57/525457657.db2.gz ATHBXDPWCKSOLE-ZRNYENFQSA-N 0 0 414.586 6.430 50 0 HKAARN CCOC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044085371 520814105 /nfs/dbraw/zinc/81/41/05/520814105.db2.gz ODNSVFMVKGVMKA-UHFFFAOYSA-N 0 0 407.322 5.501 50 0 HKAARN Brc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 ZINC000044085412 518207725 /nfs/dbraw/zinc/20/77/25/518207725.db2.gz XJSCLKIDIXSSJB-UHFFFAOYSA-N 0 0 403.345 5.989 50 0 HKAARN Clc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1Cl ZINC000044085463 526933079 /nfs/dbraw/zinc/93/30/79/526933079.db2.gz UOOCCPIPIZPNGQ-UHFFFAOYSA-N 0 0 403.378 6.940 50 0 HKAARN Brc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1 ZINC000044085476 518208041 /nfs/dbraw/zinc/20/80/41/518208041.db2.gz LLSGMRPBOKFAAT-UHFFFAOYSA-N 0 0 413.384 6.396 50 0 HKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SC2CCCC2)cc1 ZINC000044085550 525892358 /nfs/dbraw/zinc/89/23/58/525892358.db2.gz IUNCZAXPEMWHCH-UHFFFAOYSA-N 0 0 403.378 7.189 50 0 HKAARN CCOC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000044085552 520814086 /nfs/dbraw/zinc/81/40/86/520814086.db2.gz CWGVTTKKOAELTG-UHFFFAOYSA-N 0 0 421.349 5.810 50 0 HKAARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC(C)C)cc1 ZINC000044085564 525891769 /nfs/dbraw/zinc/89/17/69/525891769.db2.gz UXZMERCDNIDFTG-UHFFFAOYSA-N 0 0 401.373 6.358 50 0 HKAARN Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SC2CCCC2)cc1 ZINC000044085568 525892579 /nfs/dbraw/zinc/89/25/79/525892579.db2.gz KVMPSHRBIIJGJR-UHFFFAOYSA-N 0 0 413.384 6.645 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000044086000 527068014 /nfs/dbraw/zinc/06/80/14/527068014.db2.gz ZTOWDPDMJLZXOM-UHFFFAOYSA-N 0 0 411.530 5.221 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000044086004 527068416 /nfs/dbraw/zinc/06/84/16/527068416.db2.gz ZPJAQDSKIIBPFQ-UHFFFAOYSA-N 0 0 419.937 5.924 50 0 HKAARN COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000044086012 523151270 /nfs/dbraw/zinc/15/12/70/523151270.db2.gz TYHVUAFVZCNUIS-UHFFFAOYSA-N 0 0 415.518 5.279 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000044086041 525082042 /nfs/dbraw/zinc/08/20/42/525082042.db2.gz MYCYAGQJOQWGHU-UHFFFAOYSA-N 0 0 413.546 5.887 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1 ZINC000044086047 525775328 /nfs/dbraw/zinc/77/53/28/525775328.db2.gz GOONOQNXZQTUAN-UHFFFAOYSA-N 0 0 406.536 5.035 50 0 HKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1 ZINC000044086049 526385838 /nfs/dbraw/zinc/38/58/38/526385838.db2.gz CMEKHRXILOLHML-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN CC(C)NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044086114 519709266 /nfs/dbraw/zinc/70/92/66/519709266.db2.gz OXLGQQNTZLJWTL-UHFFFAOYSA-N 0 0 420.365 5.463 50 0 HKAARN Clc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1Cl ZINC000044086116 526932812 /nfs/dbraw/zinc/93/28/12/526932812.db2.gz ASFFZXOLDCCNDI-UHFFFAOYSA-N 0 0 411.357 7.138 50 0 HKAARN Brc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1 ZINC000044086143 518208556 /nfs/dbraw/zinc/20/85/56/518208556.db2.gz NJOBNDTXGISRHS-UHFFFAOYSA-N 0 0 421.363 6.594 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)cc1 ZINC000044086242 525081441 /nfs/dbraw/zinc/08/14/41/525081441.db2.gz GLFXQGXJUZWOER-UHFFFAOYSA-N 0 0 405.567 6.095 50 0 HKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)n1 ZINC000044086250 526385711 /nfs/dbraw/zinc/38/57/11/526385711.db2.gz NVIGDHKCJVOUMV-UHFFFAOYSA-N 0 0 412.584 5.551 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000044086426 525081538 /nfs/dbraw/zinc/08/15/38/525081538.db2.gz AMTDVROXYIIPRF-UHFFFAOYSA-N 0 0 413.546 5.887 50 0 HKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2nccs2)cc1 ZINC000044086435 525892443 /nfs/dbraw/zinc/89/24/43/525892443.db2.gz UUQUHDALJJVUCR-UHFFFAOYSA-N 0 0 406.536 5.035 50 0 HKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(C)cc2)n1 ZINC000044086438 526385832 /nfs/dbraw/zinc/38/58/32/526385832.db2.gz XFLAJBLVVCEGMH-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 ZINC000044086496 523151042 /nfs/dbraw/zinc/15/10/42/523151042.db2.gz XAOWCAXIPMRMBC-UHFFFAOYSA-N 0 0 404.510 6.288 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(C)cc2)cc1 ZINC000044086502 525775344 /nfs/dbraw/zinc/77/53/44/525775344.db2.gz HVEPGBRTBOEZOQ-UHFFFAOYSA-N 0 0 405.567 5.261 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000044086508 525775204 /nfs/dbraw/zinc/77/52/04/525775204.db2.gz YWIWLVGEIWDTTB-UHFFFAOYSA-N 0 0 413.546 5.887 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(C)cc2)cc1 ZINC000044086520 525774925 /nfs/dbraw/zinc/77/49/25/525774925.db2.gz HHINLDAIQSGHIK-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)no1 ZINC000044086529 525156383 /nfs/dbraw/zinc/15/63/83/525156383.db2.gz IUAPMLDDPSIZTK-UHFFFAOYSA-N 0 0 418.522 5.183 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)cc1 ZINC000044086684 525082653 /nfs/dbraw/zinc/08/26/53/525082653.db2.gz VVMCKGKKSXAYOK-UHFFFAOYSA-N 0 0 413.546 5.887 50 0 HKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 ZINC000044086692 525024593 /nfs/dbraw/zinc/02/45/93/525024593.db2.gz QHXCUYQONZNVNP-UHFFFAOYSA-N 0 0 406.536 5.035 50 0 HKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)n1 ZINC000044086695 526385737 /nfs/dbraw/zinc/38/57/37/526385737.db2.gz VGVDHXIVMGDUOX-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2C)cc1 ZINC000044086781 525774145 /nfs/dbraw/zinc/77/41/45/525774145.db2.gz KMSBEOGRYOIWSO-UHFFFAOYSA-N 0 0 405.567 5.261 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2C)cc1 ZINC000044086789 525774363 /nfs/dbraw/zinc/77/43/63/525774363.db2.gz NNCUTGJGNCVJNR-UHFFFAOYSA-N 0 0 413.546 5.887 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2C)cc1 ZINC000044086800 525774236 /nfs/dbraw/zinc/77/42/36/525774236.db2.gz FVCFNZPLFBSATL-UHFFFAOYSA-N 0 0 420.563 5.343 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2C)no1 ZINC000044086810 525156582 /nfs/dbraw/zinc/15/65/82/525156582.db2.gz RHLWEWLADCKJKZ-UHFFFAOYSA-N 0 0 418.522 5.183 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1 ZINC000044086962 527068183 /nfs/dbraw/zinc/06/81/83/527068183.db2.gz LZASMEMWMPQJAI-UHFFFAOYSA-N 0 0 403.482 5.409 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000044086965 525081696 /nfs/dbraw/zinc/08/16/96/525081696.db2.gz INIQTCSAPIZZQT-UHFFFAOYSA-N 0 0 417.509 5.718 50 0 HKAARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)n1 ZINC000044086976 526385919 /nfs/dbraw/zinc/38/59/19/526385919.db2.gz XKYSXUASWKZSSY-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 ZINC000044087051 523151326 /nfs/dbraw/zinc/15/13/26/523151326.db2.gz LHXPAQOOKVGYMO-UHFFFAOYSA-N 0 0 408.473 6.118 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000044087081 525775142 /nfs/dbraw/zinc/77/51/42/525775142.db2.gz IHRGXQLPKQVHFS-UHFFFAOYSA-N 0 0 409.530 5.091 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000044087085 525774504 /nfs/dbraw/zinc/77/45/04/525774504.db2.gz KERXQNLPDXZVPL-UHFFFAOYSA-N 0 0 417.509 5.718 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 ZINC000044087093 525774957 /nfs/dbraw/zinc/77/49/57/525774957.db2.gz PQVNRPHRFMZXDJ-UHFFFAOYSA-N 0 0 424.526 5.174 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(F)cc2)no1 ZINC000044087097 525156141 /nfs/dbraw/zinc/15/61/41/525156141.db2.gz RGDWTVNDDKXCPJ-UHFFFAOYSA-N 0 0 422.485 5.014 50 0 HKAARN CC(C)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000044087165 519769746 /nfs/dbraw/zinc/76/97/46/519769746.db2.gz IVNLYXTXUJZQIW-UHFFFAOYSA-N 0 0 405.336 6.189 50 0 HKAARN Fc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SC2CCCC2)cc1 ZINC000044087169 526319580 /nfs/dbraw/zinc/31/95/80/526319580.db2.gz 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525774409 /nfs/dbraw/zinc/77/44/09/525774409.db2.gz BKXZYJLQOLCZCY-UHFFFAOYSA-N 0 0 411.958 5.216 50 0 HKAARN Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(Cl)c2)cc1 ZINC000044087328 525775755 /nfs/dbraw/zinc/77/57/55/525775755.db2.gz KMFIKYHZRAYPIW-UHFFFAOYSA-N 0 0 408.929 6.933 50 0 HKAARN CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087383 519769902 /nfs/dbraw/zinc/76/99/02/519769902.db2.gz KNYFORKWUCSBTI-UHFFFAOYSA-N 0 0 411.785 7.248 50 0 HKAARN NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087385 526901575 /nfs/dbraw/zinc/90/15/75/526901575.db2.gz IZZCIERSPYSTLG-UHFFFAOYSA-N 0 0 412.729 5.077 50 0 HKAARN Clc1cccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SC2CCCC2)c1 ZINC000044087387 526972429 /nfs/dbraw/zinc/97/24/29/526972429.db2.gz YSWXUPUBZUBIFJ-UHFFFAOYSA-N 0 0 423.796 7.534 50 0 HKAARN CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 ZINC000044087424 519788640 /nfs/dbraw/zinc/78/86/40/519788640.db2.gz WHDUVAIBOOPRFO-UHFFFAOYSA-N 0 0 407.764 6.456 50 0 HKAARN CC(C)CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 ZINC000044087426 519769783 /nfs/dbraw/zinc/76/97/83/519769783.db2.gz SEHNPFILKKAFCI-UHFFFAOYSA-N 0 0 421.791 6.703 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000044087473 527067941 /nfs/dbraw/zinc/06/79/41/527067941.db2.gz QSZMOCXRHKBHPA-UHFFFAOYSA-N 0 0 411.958 5.297 50 0 HKAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 ZINC000044087477 527068738 /nfs/dbraw/zinc/06/87/38/527068738.db2.gz YNJSPTCVKKUEME-UHFFFAOYSA-N 0 0 419.937 5.924 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)no1 ZINC000044087491 525158939 /nfs/dbraw/zinc/15/89/39/525158939.db2.gz BWIAAINIBFQDBO-UHFFFAOYSA-N 0 0 424.913 5.220 50 0 HKAARN COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087543 523150607 /nfs/dbraw/zinc/15/06/07/523150607.db2.gz SRKFQCFHBRMHNL-UHFFFAOYSA-N 0 0 406.938 6.494 50 0 HKAARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087544 523150686 /nfs/dbraw/zinc/15/06/86/523150686.db2.gz 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ZINC000044087720 523150314 /nfs/dbraw/zinc/15/03/14/523150314.db2.gz NMUPQXAMSUBYDK-UHFFFAOYSA-N 0 0 406.473 6.315 50 0 HKAARN COc1ccc(-c2cnc(SC3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087724 523147690 /nfs/dbraw/zinc/14/76/90/523147690.db2.gz NYZITBWLLNKADE-UHFFFAOYSA-N 0 0 418.484 6.601 50 0 HKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087771 525775446 /nfs/dbraw/zinc/77/54/46/525775446.db2.gz HECPIDVSPYOISH-UHFFFAOYSA-N 0 0 402.485 6.901 50 0 HKAARN CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087773 520813469 /nfs/dbraw/zinc/81/34/69/520813469.db2.gz GVGFKACJYWCKJP-UHFFFAOYSA-N 0 0 420.456 5.522 50 0 HKAARN Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087802 525775694 /nfs/dbraw/zinc/77/56/94/525775694.db2.gz ANGGOXUKKJJYSH-UHFFFAOYSA-N 0 0 424.491 7.159 50 0 HKAARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087837 526219083 /nfs/dbraw/zinc/21/90/83/526219083.db2.gz OEZHNACMBKSFCZ-UHFFFAOYSA-N 0 0 403.256 6.587 50 0 HKAARN CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087839 521786795 /nfs/dbraw/zinc/78/67/95/521786795.db2.gz PKNUHSRCXCWUES-UHFFFAOYSA-N 0 0 417.283 6.977 50 0 HKAARN CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087866 526219306 /nfs/dbraw/zinc/21/93/06/526219306.db2.gz MBOWZLLYGABZSO-UHFFFAOYSA-N 0 0 413.262 6.043 50 0 HKAARN FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 ZINC000044087906 527674316 /nfs/dbraw/zinc/67/43/16/527674316.db2.gz RJGFTOMIDSSZTB-UHFFFAOYSA-N 0 0 404.457 6.473 50 0 HKAARN CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087908 520812938 /nfs/dbraw/zinc/81/29/38/520812938.db2.gz IIBJMDUNQQGJMU-UHFFFAOYSA-N 0 0 422.428 5.093 50 0 HKAARN COc1ccc(-c2cnc(SC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087947 523148083 /nfs/dbraw/zinc/14/80/83/523148083.db2.gz TUEPNTMQOLXMME-UHFFFAOYSA-N 0 0 408.445 5.947 50 0 HKAARN COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087949 523151669 /nfs/dbraw/zinc/15/16/69/523151669.db2.gz QAPIEFFVOCTXMN-UHFFFAOYSA-N 0 0 422.472 6.195 50 0 HKAARN Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087986 525775471 /nfs/dbraw/zinc/77/54/71/525775471.db2.gz IUXYQSPGOPXOBS-UHFFFAOYSA-N 0 0 406.473 6.494 50 0 HKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087990 525774193 /nfs/dbraw/zinc/77/41/93/525774193.db2.gz AAOGPWUTAKWISA-UHFFFAOYSA-N 0 0 418.484 6.781 50 0 HKAARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088055 526219253 /nfs/dbraw/zinc/21/92/53/526219253.db2.gz QQANUQYLDJYESW-UHFFFAOYSA-N 0 0 419.255 6.467 50 0 HKAARN FC(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 ZINC000044088110 527695752 /nfs/dbraw/zinc/69/57/52/527695752.db2.gz LBGFJGVSKZTIEQ-UHFFFAOYSA-N 0 0 408.473 6.433 50 0 HKAARN COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088117 523151456 /nfs/dbraw/zinc/15/14/56/523151456.db2.gz BARXBQWIEAUNHO-UHFFFAOYSA-N 0 0 404.482 5.897 50 0 HKAARN COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088119 523147116 /nfs/dbraw/zinc/14/71/16/523147116.db2.gz JOCNBXYPFZRURH-UHFFFAOYSA-N 0 0 416.493 6.184 50 0 HKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088162 525775507 /nfs/dbraw/zinc/77/55/07/525775507.db2.gz QUSSAYVTGFIMFL-UHFFFAOYSA-N 0 0 400.494 6.484 50 0 HKAARN CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088164 520814386 /nfs/dbraw/zinc/81/43/86/520814386.db2.gz CSVPVUTZHJTAQC-UHFFFAOYSA-N 0 0 418.465 5.104 50 0 HKAARN Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088194 525774181 /nfs/dbraw/zinc/77/41/81/525774181.db2.gz MFVPBQDFLAHBJE-UHFFFAOYSA-N 0 0 422.500 6.741 50 0 HKAARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088235 526219063 /nfs/dbraw/zinc/21/90/63/526219063.db2.gz GMUHRJUMYAOUJT-UHFFFAOYSA-N 0 0 401.265 6.169 50 0 HKAARN CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088237 521786404 /nfs/dbraw/zinc/78/64/04/521786404.db2.gz VZGNLILSLDUDOK-UHFFFAOYSA-N 0 0 415.292 6.560 50 0 HKAARN CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088266 526218736 /nfs/dbraw/zinc/21/87/36/526218736.db2.gz MHMIGZZOMIQCEC-UHFFFAOYSA-N 0 0 411.271 5.625 50 0 HKAARN C[C@@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21 ZINC000044123965 524466273 /nfs/dbraw/zinc/46/62/73/524466273.db2.gz RXJCVDBFPSUUTQ-MTNREXPMSA-N 0 0 408.538 5.806 50 0 HKAARN C[C@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21 ZINC000044123970 524153102 /nfs/dbraw/zinc/15/31/02/524153102.db2.gz RXJCVDBFPSUUTQ-ZPMCFJSWSA-N 0 0 408.538 5.806 50 0 HKAARN O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000044124615 527162889 /nfs/dbraw/zinc/16/28/89/527162889.db2.gz GGXNEXFNVQWJAL-UHFFFAOYSA-N 0 0 420.468 5.422 50 0 HKAARN CCCSc1ccccc1CN(C)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125125 520567588 /nfs/dbraw/zinc/56/75/88/520567588.db2.gz DDGHTWIPAWZEQI-XMMPIXPASA-N 0 0 402.563 5.714 50 0 HKAARN CC(C)Sc1ccccc1CN(C)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125190 519788357 /nfs/dbraw/zinc/78/83/57/519788357.db2.gz MBZNOZPDFFANOU-XMMPIXPASA-N 0 0 402.563 5.713 50 0 HKAARN O=C1[C@H](c2ccccc2)c2ccccc2N1N(Cc1ccccc1)Cc1ccccc1 ZINC000044126082 527116668 /nfs/dbraw/zinc/11/66/68/527116668.db2.gz HJTFINCEJWGLIC-HHHXNRCGSA-N 0 0 404.513 5.783 50 0 HKAARN CC(C)(C)OC(=O)C[C@@](O)(CCc1cccc(OCc2ccccc2)c1)C1CCCC1 ZINC000044126432 518798003 /nfs/dbraw/zinc/79/80/03/518798003.db2.gz KKHCZMKCCRUFLI-MHZLTWQESA-N 0 0 424.581 5.851 50 0 HKAARN CC(C)(C)OC(=O)C[C@](O)(CCc1cccc(OCc2ccccc2)c1)C1CCCC1 ZINC000044126436 518796885 /nfs/dbraw/zinc/79/68/85/518796885.db2.gz KKHCZMKCCRUFLI-HHHXNRCGSA-N 0 0 424.581 5.851 50 0 HKAARN O=C(COc1ccccc1)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000044126744 526981564 /nfs/dbraw/zinc/98/15/64/526981564.db2.gz PVLAPQQAYNHVSJ-UHFFFAOYSA-N 0 0 417.357 6.464 50 0 HKAARN Fc1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 ZINC000044154643 526313894 /nfs/dbraw/zinc/31/38/94/526313894.db2.gz AHUVEINQDUOODU-UHFFFAOYSA-N 0 0 404.488 6.529 50 0 HKAARN COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c(OC)c1 ZINC000044166425 524068392 /nfs/dbraw/zinc/06/83/92/524068392.db2.gz DCCGEKTZOOXEHE-UHFFFAOYSA-N 0 0 418.518 5.153 50 0 HKAARN Cc1cccc(-c2csc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000044166794 524115881 /nfs/dbraw/zinc/11/58/81/524115881.db2.gz AAOWLFDGOIRLIX-UHFFFAOYSA-N 0 0 400.425 5.501 50 0 HKAARN CCOc1ccc(-c2csc3c2ncn(Cc2ccccc2C)c3=O)cc1OCC ZINC000044167028 520812524 /nfs/dbraw/zinc/81/25/24/520812524.db2.gz CPYFEVHHRHDDMP-UHFFFAOYSA-N 0 0 420.534 5.279 50 0 HKAARN CCOc1ccc(-c2csc3c2ncn(Cc2cccc(C)c2)c3=O)cc1OCC ZINC000044167034 520812362 /nfs/dbraw/zinc/81/23/62/520812362.db2.gz QPHONEIEDVXAPN-UHFFFAOYSA-N 0 0 420.534 5.279 50 0 HKAARN CCOc1ccc(-c2csc3c2ncn(Cc2ccc(C)cc2)c3=O)cc1OCC ZINC000044167038 520814045 /nfs/dbraw/zinc/81/40/45/520814045.db2.gz NTDNNDBGKUCSSO-UHFFFAOYSA-N 0 0 420.534 5.279 50 0 HKAARN 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/nfs/dbraw/zinc/70/76/83/523707683.db2.gz XCNJMGNMNLMOGW-UHFFFAOYSA-N 0 0 412.480 5.563 50 0 HKAARN CC(C)C(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000044854808 519453459 /nfs/dbraw/zinc/45/34/59/519453459.db2.gz XZQUIESWDYVCKB-SFHVURJKSA-N 0 0 405.325 5.171 50 0 HKAARN CC(C)C(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000044854810 519453551 /nfs/dbraw/zinc/45/35/51/519453551.db2.gz XZQUIESWDYVCKB-GOSISDBHSA-N 0 0 405.325 5.171 50 0 HKAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C(=O)CC(C)(C)C)C1 ZINC000044854867 525086004 /nfs/dbraw/zinc/08/60/04/525086004.db2.gz XVJRWUFPKCLFMC-IBGZPJMESA-N 0 0 414.496 5.231 50 0 HKAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C(=O)CC(C)(C)C)C1 ZINC000044854869 525085590 /nfs/dbraw/zinc/08/55/90/525085590.db2.gz XVJRWUFPKCLFMC-LJQANCHMSA-N 0 0 414.496 5.231 50 0 HKAARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000044859740 560897600 /nfs/dbraw/zinc/89/76/00/560897600.db2.gz MCPSVIRGZKFQMG-HSZRJFAPSA-N 0 0 401.510 5.510 50 0 HKAARN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000044859742 560897596 /nfs/dbraw/zinc/89/75/96/560897596.db2.gz MCPSVIRGZKFQMG-QHCPKHFHSA-N 0 0 401.510 5.510 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C ZINC000044859788 560897644 /nfs/dbraw/zinc/89/76/44/560897644.db2.gz UHIHOVULDKTSIK-XMMPIXPASA-N 0 0 424.504 5.281 50 0 HKAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000044859791 560897656 /nfs/dbraw/zinc/89/76/56/560897656.db2.gz UHIHOVULDKTSIK-DEOSSOPVSA-N 0 0 424.504 5.281 50 0 HKAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000044859817 527409640 /nfs/dbraw/zinc/40/96/40/527409640.db2.gz LKMVDYSHIUBTPV-FCDQGJHFSA-N 0 0 414.505 5.475 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc(OC)c1O ZINC000044900558 522926929 /nfs/dbraw/zinc/92/69/29/522926929.db2.gz MGXUYUFPEANYMI-ZDUSSCGKSA-N 0 0 416.886 5.310 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc(OC)c1O ZINC000044900560 522961499 /nfs/dbraw/zinc/96/14/99/522961499.db2.gz MGXUYUFPEANYMI-CYBMUJFWSA-N 0 0 416.886 5.310 50 0 HKAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3C)c1OCc1ccccc1C ZINC000044901550 524187366 /nfs/dbraw/zinc/18/73/66/524187366.db2.gz MJUWSAFKTPLLNN-JOCHJYFZSA-N 0 0 423.538 5.049 50 0 HKAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)c1OCc1ccccc1C ZINC000044901552 524130566 /nfs/dbraw/zinc/13/05/66/524130566.db2.gz MJUWSAFKTPLLNN-QFIPXVFZSA-N 0 0 423.538 5.049 50 0 HKAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OCc1ccccc1C ZINC000044901569 522967281 /nfs/dbraw/zinc/96/72/81/522967281.db2.gz SHXZMQVMHBDAHA-JOCHJYFZSA-N 0 0 423.538 5.049 50 0 HKAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OCc1ccccc1C ZINC000044901571 522932724 /nfs/dbraw/zinc/93/27/24/522932724.db2.gz SHXZMQVMHBDAHA-QFIPXVFZSA-N 0 0 423.538 5.049 50 0 HKAARN COc1cccc([C@@H]2CC(=O)Nc3c(-c4cccc(Cl)c4)nsc32)c1OC ZINC000044918528 524114998 /nfs/dbraw/zinc/11/49/98/524114998.db2.gz GZEYFSUGSZKOGY-AWEZNQCLSA-N 0 0 400.887 5.604 50 0 HKAARN COc1cccc([C@H]2CC(=O)Nc3c(-c4cccc(Cl)c4)nsc32)c1OC ZINC000044918533 524175631 /nfs/dbraw/zinc/17/56/31/524175631.db2.gz GZEYFSUGSZKOGY-CQSZACIVSA-N 0 0 400.887 5.604 50 0 HKAARN Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3cccnc3)cc(C(F)F)c12 ZINC000044918803 527429313 /nfs/dbraw/zinc/42/93/13/527429313.db2.gz HBYAXOCJEGRPTE-UHFFFAOYSA-N 0 0 421.881 5.824 50 0 HKAARN Cc1nn(C)c2c1[C@@H](c1ccccc1OCc1cccc(Cl)c1)SCC(=O)N2 ZINC000044919946 527680964 /nfs/dbraw/zinc/68/09/64/527680964.db2.gz JOFGNWAKEMPQDM-HXUWFJFHSA-N 0 0 413.930 5.385 50 0 HKAARN Cc1nn(C)c2c1[C@H](c1ccccc1OCc1cccc(Cl)c1)SCC(=O)N2 ZINC000044919950 527680981 /nfs/dbraw/zinc/68/09/81/527680981.db2.gz JOFGNWAKEMPQDM-FQEVSTJZSA-N 0 0 413.930 5.385 50 0 HKAARN Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000044928660 524322456 /nfs/dbraw/zinc/32/24/56/524322456.db2.gz UAYGZANUNZUISD-MRXNPFEDSA-N 0 0 420.582 5.686 50 0 HKAARN Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000044928662 524320987 /nfs/dbraw/zinc/32/09/87/524320987.db2.gz UAYGZANUNZUISD-INIZCTEOSA-N 0 0 420.582 5.686 50 0 HKAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)c1 ZINC000044974451 524600113 /nfs/dbraw/zinc/60/01/13/524600113.db2.gz JUGWDBDYYBLXCW-BUHFOSPRSA-N 0 0 411.461 5.233 50 0 HKAARN O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N(Cc1ccco1)C1CC1 ZINC000044980612 526709436 /nfs/dbraw/zinc/70/94/36/526709436.db2.gz OOCUUDUZKYDACZ-UHFFFAOYSA-N 0 0 413.271 5.034 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2o1)NC(c1ccccc1)c1ccccc1 ZINC000045068006 527059749 /nfs/dbraw/zinc/05/97/49/527059749.db2.gz AAJKFUVTWRTTTN-UHFFFAOYSA-N 0 0 408.910 5.479 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1nc2cc(Cl)ccc2s1 ZINC000045068065 527059803 /nfs/dbraw/zinc/05/98/03/527059803.db2.gz MWJGLNUADOADPN-UHFFFAOYSA-N 0 0 409.323 5.210 50 0 HKAARN O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc2cc(Cl)ccc2s1 ZINC000045068075 527059509 /nfs/dbraw/zinc/05/95/09/527059509.db2.gz CXHHKKLJOBBJSE-UHFFFAOYSA-N 0 0 410.307 5.475 50 0 HKAARN Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccc(Br)cc2)cc1 ZINC000045068154 526956325 /nfs/dbraw/zinc/95/63/25/526956325.db2.gz PMZPQBLJURJEAC-SFHVURJKSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000045068156 526956588 /nfs/dbraw/zinc/95/65/88/526956588.db2.gz PMZPQBLJURJEAC-GOSISDBHSA-N 0 0 417.759 6.520 50 0 HKAARN Clc1ccc(C2=Nn3c(Cc4c[nH]c5ccccc45)nnc3SC2)cc1Cl ZINC000045068162 526941773 /nfs/dbraw/zinc/94/17/73/526941773.db2.gz GXICHQRXWMJHQH-UHFFFAOYSA-N 0 0 414.321 5.015 50 0 HKAARN Cc1ccc(-c2cc3n(n2)[C@H](c2ccc(F)cc2)[C@@H]2COc4ccccc4C2=N3)cc1 ZINC000045068563 569012946 /nfs/dbraw/zinc/01/29/46/569012946.db2.gz KFRKWBGBKRLORR-QFQXNSOFSA-N 0 0 409.464 5.730 50 0 HKAARN Cc1ccc(-c2cc3n(n2)[C@@H](c2ccc(F)cc2)[C@@H]2COc4ccccc4C2=N3)cc1 ZINC000045068565 569012950 /nfs/dbraw/zinc/01/29/50/569012950.db2.gz KFRKWBGBKRLORR-RLWLMLJZSA-N 0 0 409.464 5.730 50 0 HKAARN Cc1ccc(-c2cc3n(n2)[C@H](c2ccc(F)cc2)[C@H]2COc4ccccc4C2=N3)cc1 ZINC000045068568 569012961 /nfs/dbraw/zinc/01/29/61/569012961.db2.gz KFRKWBGBKRLORR-HFZDXXHNSA-N 0 0 409.464 5.730 50 0 HKAARN Cc1ccc(-c2cc3n(n2)[C@@H](c2ccc(F)cc2)[C@H]2COc4ccccc4C2=N3)cc1 ZINC000045068571 569012936 /nfs/dbraw/zinc/01/29/36/569012936.db2.gz KFRKWBGBKRLORR-LVXARBLLSA-N 0 0 409.464 5.730 50 0 HKAARN Cc1cc(-c2nn3c(nnc3-c3ccccc3Br)s2)c2ccccc2n1 ZINC000045221570 526057414 /nfs/dbraw/zinc/05/74/14/526057414.db2.gz GQXJJIADUYUPOT-UHFFFAOYSA-N 0 0 422.311 5.139 50 0 HKAARN O=C(c1c2ccccc2[nH]c1-c1[nH]c2ccccc2c1C(=O)C(F)(F)F)C(F)(F)F ZINC000045302346 568419010 /nfs/dbraw/zinc/41/90/10/568419010.db2.gz VWPPMNCTBLESKP-UHFFFAOYSA-N 0 0 424.300 5.806 50 0 HKAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000045326910 527224186 /nfs/dbraw/zinc/22/41/86/527224186.db2.gz SJMVINGTTIVJJZ-UHFFFAOYSA-N 0 0 424.422 5.752 50 0 HKAARN COc1ccc(Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)cc1 ZINC000045327664 524167936 /nfs/dbraw/zinc/16/79/36/524167936.db2.gz PAYZZOOTILIJOQ-UHFFFAOYSA-N 0 0 413.886 5.270 50 0 HKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1cc2ccc(F)cc2nc1C ZINC000045344144 525465615 /nfs/dbraw/zinc/46/56/15/525465615.db2.gz PMARSLBCOHBYRV-UHFFFAOYSA-N 0 0 410.452 5.558 50 0 HKAARN Cc1cc(C)c(NC(=O)CCCS(=O)(=O)Cc2cccc3ccccc32)c(C)c1 ZINC000045350026 524281835 /nfs/dbraw/zinc/28/18/35/524281835.db2.gz WXBABBFVVVHOCQ-UHFFFAOYSA-N 0 0 409.551 5.099 50 0 HKAARN COc1ccc(CC(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1OC ZINC000045403302 523889785 /nfs/dbraw/zinc/88/97/85/523889785.db2.gz IMFFJAWWTKGLIN-AWEZNQCLSA-N 0 0 407.432 5.017 50 0 HKAARN COc1ccc(CC(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1OC ZINC000045403304 523889480 /nfs/dbraw/zinc/88/94/80/523889480.db2.gz IMFFJAWWTKGLIN-CQSZACIVSA-N 0 0 407.432 5.017 50 0 HKAARN COc1ccc2cc(CN(C)C(=O)CSC3=Nc4ccccc4CS3)ccc2c1 ZINC000045494000 525626640 /nfs/dbraw/zinc/62/66/40/525626640.db2.gz GZOGCNSEERTNJS-UHFFFAOYSA-N 0 0 422.575 5.475 50 0 HKAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000045561095 526054464 /nfs/dbraw/zinc/05/44/64/526054464.db2.gz LPHWUOGMNDAHQF-AWEZNQCLSA-N 0 0 418.921 5.277 50 0 HKAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000045561098 526058639 /nfs/dbraw/zinc/05/86/39/526058639.db2.gz LPHWUOGMNDAHQF-CQSZACIVSA-N 0 0 418.921 5.277 50 0 HKAARN CCCCCn1nc(C(=O)N2CC[C@H](C)Sc3ccccc32)c2ccccc2c1=O ZINC000045574928 520335719 /nfs/dbraw/zinc/33/57/19/520335719.db2.gz CGXHGEKLQGINTQ-KRWDZBQOSA-N 0 0 421.566 5.118 50 0 HKAARN CCCCCn1nc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c2ccccc2c1=O ZINC000045574929 520335974 /nfs/dbraw/zinc/33/59/74/520335974.db2.gz CGXHGEKLQGINTQ-QGZVFWFLSA-N 0 0 421.566 5.118 50 0 HKAARN Cc1ccc(CNC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000045896395 568421353 /nfs/dbraw/zinc/42/13/53/568421353.db2.gz TWJMUVQCSQVXLG-UHFFFAOYSA-N 0 0 413.477 5.035 50 0 HKAARN CC(C)(c1ccccc1)c1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000045900727 519382806 /nfs/dbraw/zinc/38/28/06/519382806.db2.gz IHSGLTUYWFSSLK-UHFFFAOYSA-N 0 0 409.533 6.348 50 0 HKAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(Br)c(C)c1 ZINC000045901123 520227241 /nfs/dbraw/zinc/22/72/41/520227241.db2.gz KNAHHCJUZQLCEG-UHFFFAOYSA-N 0 0 400.276 5.011 50 0 HKAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(Br)c(C)c1 ZINC000045901224 521598733 /nfs/dbraw/zinc/59/87/33/521598733.db2.gz BOFCNAVMXVVVJY-UHFFFAOYSA-N 0 0 414.303 5.238 50 0 HKAARN Cc1cc(Nc2nc3ccccc3nc2C(=O)OC(C)C)ccc1Br ZINC000045901384 525307110 /nfs/dbraw/zinc/30/71/10/525307110.db2.gz ATPRCSZLGCWZTF-UHFFFAOYSA-N 0 0 400.276 5.010 50 0 HKAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1cc(Cl)c(OC)cc1OC ZINC000045901530 520727826 /nfs/dbraw/zinc/72/78/26/520727826.db2.gz SERJQDWFCVQZKY-UHFFFAOYSA-N 0 0 415.877 5.001 50 0 HKAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1cc(OCC)ccc1OCC ZINC000045901593 520727577 /nfs/dbraw/zinc/72/75/77/520727577.db2.gz HEIJHWKABHERHC-UHFFFAOYSA-N 0 0 409.486 5.128 50 0 HKAARN COc1cccc(CN=C2Nc3ccccc3NC23CCC(c2ccccc2)CC3)c1 ZINC000045913580 526011628 /nfs/dbraw/zinc/01/16/28/526011628.db2.gz LGSMFGNSNZZRDR-UHFFFAOYSA-N 0 0 411.549 6.037 50 0 biogenic HKAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 ZINC000045921549 527177865 /nfs/dbraw/zinc/17/78/65/527177865.db2.gz MUYWZRAZFYKTIN-UHFFFAOYSA-N 0 0 424.957 5.136 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccccc4)nn3)CC2)c(C)c1 ZINC000045921558 525028995 /nfs/dbraw/zinc/02/89/95/525028995.db2.gz YLOUHOKTSLBXTI-UHFFFAOYSA-N 0 0 418.566 5.100 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1 ZINC000045922571 527067064 /nfs/dbraw/zinc/06/70/64/527067064.db2.gz HWGDWELAMZNUOO-UHFFFAOYSA-N 0 0 423.719 5.488 50 0 HKAARN O=c1c2sc3ncccc3c2nc(SCc2ccccc2)n1Cc1ccccc1 ZINC000045923534 527471698 /nfs/dbraw/zinc/47/16/98/527471698.db2.gz JQVOWYKIHNRNII-UHFFFAOYSA-N 0 0 415.543 5.347 50 0 HKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1C[C@@H](C)c1ccccc1 ZINC000045923793 520977982 /nfs/dbraw/zinc/97/79/82/520977982.db2.gz QOUWTEZICWNOMO-OAHLLOKOSA-N 0 0 409.580 5.702 50 0 HKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1C[C@H](C)c1ccccc1 ZINC000045923797 520978452 /nfs/dbraw/zinc/97/84/52/520978452.db2.gz QOUWTEZICWNOMO-HNNXBMFYSA-N 0 0 409.580 5.702 50 0 HKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(CC)cc1 ZINC000045923943 520977766 /nfs/dbraw/zinc/97/77/66/520977766.db2.gz NLLXXSHHCIWHNO-UHFFFAOYSA-N 0 0 409.580 5.509 50 0 HKAARN CCCCSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(C(C)C)cc1 ZINC000045923991 520978508 /nfs/dbraw/zinc/97/85/08/520978508.db2.gz HQMNDKPSPDSTOS-UHFFFAOYSA-N 0 0 423.607 6.070 50 0 HKAARN Cc1oc(-c2ccccc2C)nc1CSc1nc(-c2cccc(Cl)c2)cc(=O)[nH]1 ZINC000045924766 526741229 /nfs/dbraw/zinc/74/12/29/526741229.db2.gz DSCRRXSSHSOJAL-UHFFFAOYSA-N 0 0 423.925 6.067 50 0 HKAARN COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000045924840 523213765 /nfs/dbraw/zinc/21/37/65/523213765.db2.gz WUZQUVXZYUDDOQ-UHFFFAOYSA-N 0 0 405.479 5.114 50 0 HKAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(C)c4)oc3C)n2)c1 ZINC000045924898 525707957 /nfs/dbraw/zinc/70/79/57/525707957.db2.gz KGSUHGTXAHWVRC-UHFFFAOYSA-N 0 0 419.506 5.422 50 0 HKAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(C)c4)oc3C)n2)cc1 ZINC000045924902 523089885 /nfs/dbraw/zinc/08/98/85/523089885.db2.gz GCRKLVXVPWAMJH-UHFFFAOYSA-N 0 0 419.506 5.010 50 0 HKAARN Clc1cccc(CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000045925264 526978226 /nfs/dbraw/zinc/97/82/26/526978226.db2.gz OJPUUEZXPWXSQD-UHFFFAOYSA-N 0 0 401.922 6.495 50 0 HKAARN Clc1ccc(CSc2nccn3nc(-c4cccc5ccccc54)cc23)cc1 ZINC000045925267 526952477 /nfs/dbraw/zinc/95/24/77/526952477.db2.gz GEILLOMYGFHZIU-UHFFFAOYSA-N 0 0 401.922 6.495 50 0 HKAARN Fc1ccc(CSc2nccn3nc(-c4cccc5ccccc54)cc23)c(Cl)c1 ZINC000045925279 526345197 /nfs/dbraw/zinc/34/51/97/526345197.db2.gz KGSKIPBLGCEQJW-UHFFFAOYSA-N 0 0 419.912 6.634 50 0 HKAARN FC(F)(F)c1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1 ZINC000045925324 527685738 /nfs/dbraw/zinc/68/57/38/527685738.db2.gz IGWWXIIVYANRPU-UHFFFAOYSA-N 0 0 419.859 6.361 50 0 HKAARN Cc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1C ZINC000045925347 525741383 /nfs/dbraw/zinc/74/13/83/525741383.db2.gz LIUHNBUTBDPOGH-UHFFFAOYSA-N 0 0 424.367 6.068 50 0 HKAARN Cc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1C ZINC000045925350 525740089 /nfs/dbraw/zinc/74/00/89/525740089.db2.gz OZSGJRZXEQWWDR-UHFFFAOYSA-N 0 0 413.468 6.324 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1 ZINC000045925365 520851092 /nfs/dbraw/zinc/85/10/92/520851092.db2.gz PENROPLKZCRMHQ-UHFFFAOYSA-N 0 0 403.551 6.176 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 ZINC000045925368 520851450 /nfs/dbraw/zinc/85/14/50/520851450.db2.gz FLDUFDFQCHERAY-UHFFFAOYSA-N 0 0 403.551 6.176 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1 ZINC000045925371 520851387 /nfs/dbraw/zinc/85/13/87/520851387.db2.gz VJKZUSPHXXMSAZ-UHFFFAOYSA-N 0 0 403.551 6.176 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccccc4Cl)nccn3n2)cc1 ZINC000045925374 520850926 /nfs/dbraw/zinc/85/09/26/520850926.db2.gz GGILDGMEKGAYGF-UHFFFAOYSA-N 0 0 423.969 6.521 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 ZINC000045925377 520851420 /nfs/dbraw/zinc/85/14/20/520851420.db2.gz DBNQYZXGPFHXEB-UHFFFAOYSA-N 0 0 423.969 6.521 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)cc1 ZINC000045925380 520850669 /nfs/dbraw/zinc/85/06/69/520850669.db2.gz KWTXJSONPHONHB-UHFFFAOYSA-N 0 0 423.969 6.521 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1 ZINC000045925383 520851104 /nfs/dbraw/zinc/85/11/04/520851104.db2.gz YUGMKVBKUPGLDW-UHFFFAOYSA-N 0 0 407.514 6.007 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1 ZINC000045925386 520851185 /nfs/dbraw/zinc/85/11/85/520851185.db2.gz CJMMWHHWEBOHOP-UHFFFAOYSA-N 0 0 407.514 6.007 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1 ZINC000045925389 520850789 /nfs/dbraw/zinc/85/07/89/520850789.db2.gz GRBFAXDRHCSYPO-UHFFFAOYSA-N 0 0 407.514 6.007 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4cc(C)ccc4C)nccn3n2)cc1 ZINC000045925392 520850229 /nfs/dbraw/zinc/85/02/29/520850229.db2.gz DZQCBPRYVODCJU-UHFFFAOYSA-N 0 0 417.578 6.484 50 0 HKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccc(OCCCC)cc4)cc23)cc1 ZINC000045925401 519318199 /nfs/dbraw/zinc/31/81/99/519318199.db2.gz IWQFERREVBDSJH-UHFFFAOYSA-N 0 0 415.562 6.511 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4cc(C)ccc4C)nccn3n2)cc1Cl ZINC000045925438 520809336 /nfs/dbraw/zinc/80/93/36/520809336.db2.gz UPNQRYHCVMOBFV-UHFFFAOYSA-N 0 0 423.969 6.358 50 0 HKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccc(OCC)c(Cl)c4)cc23)cc1 ZINC000045925440 519319763 /nfs/dbraw/zinc/31/97/63/519319763.db2.gz OHEVQLPAFQHELC-UHFFFAOYSA-N 0 0 421.953 6.384 50 0 HKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 ZINC000045925449 519319728 /nfs/dbraw/zinc/31/97/28/519319728.db2.gz YSWIIADACABMGY-UHFFFAOYSA-N 0 0 422.351 6.094 50 0 HKAARN Cc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c(C)c1 ZINC000045925461 525741196 /nfs/dbraw/zinc/74/11/96/525741196.db2.gz LIPRUCAHWZPCLI-UHFFFAOYSA-N 0 0 424.367 6.068 50 0 HKAARN Cc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)c(C)c1 ZINC000045925464 525740467 /nfs/dbraw/zinc/74/04/67/525740467.db2.gz XGNCWCRLXAHSPV-UHFFFAOYSA-N 0 0 413.468 6.324 50 0 HKAARN Cc1ccc(C)c(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 ZINC000045925476 526256365 /nfs/dbraw/zinc/25/63/65/526256365.db2.gz LMKWEABXDBATQM-UHFFFAOYSA-N 0 0 424.367 6.068 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928142 524426474 /nfs/dbraw/zinc/42/64/74/524426474.db2.gz FJYIOUGPJPSJAY-JOCHJYFZSA-N 0 0 421.443 5.649 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928145 524425994 /nfs/dbraw/zinc/42/59/94/524425994.db2.gz FJYIOUGPJPSJAY-QFIPXVFZSA-N 0 0 421.443 5.649 50 0 HKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928156 568421993 /nfs/dbraw/zinc/42/19/93/568421993.db2.gz LXHLRXSQFWIZIS-OAQYLSRUSA-N 0 0 407.416 5.654 50 0 HKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000045928160 568422000 /nfs/dbraw/zinc/42/20/00/568422000.db2.gz LXHLRXSQFWIZIS-NRFANRHFSA-N 0 0 407.416 5.654 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045928172 523871857 /nfs/dbraw/zinc/87/18/57/523871857.db2.gz GVELWNCVSBXTLU-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928175 523871409 /nfs/dbraw/zinc/87/14/09/523871409.db2.gz GVELWNCVSBXTLU-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045928194 523872059 /nfs/dbraw/zinc/87/20/59/523872059.db2.gz JIBOZSUFDGKFCY-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928198 523871703 /nfs/dbraw/zinc/87/17/03/523871703.db2.gz JIBOZSUFDGKFCY-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045928259 524018442 /nfs/dbraw/zinc/01/84/42/524018442.db2.gz SFGWKRDFUVAIRG-JOCHJYFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045928263 524018752 /nfs/dbraw/zinc/01/87/52/524018752.db2.gz SFGWKRDFUVAIRG-QFIPXVFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928267 524018476 /nfs/dbraw/zinc/01/84/76/524018476.db2.gz JVSQHXROHIHXKH-JOCHJYFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045928272 524018791 /nfs/dbraw/zinc/01/87/91/524018791.db2.gz JVSQHXROHIHXKH-QFIPXVFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000045928294 524018641 /nfs/dbraw/zinc/01/86/41/524018641.db2.gz VSQQSFFGNUSPEA-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045928297 524018817 /nfs/dbraw/zinc/01/88/17/524018817.db2.gz VSQQSFFGNUSPEA-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 ZINC000045928309 526958360 /nfs/dbraw/zinc/95/83/60/526958360.db2.gz KODMMBZLZRACDG-JOCHJYFZSA-N 0 0 424.327 6.089 50 0 HKAARN O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 ZINC000045928314 526958529 /nfs/dbraw/zinc/95/85/29/526958529.db2.gz KODMMBZLZRACDG-QFIPXVFZSA-N 0 0 424.327 6.089 50 0 HKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928318 526958423 /nfs/dbraw/zinc/95/84/23/526958423.db2.gz ZKGVBCRKACQYDY-OAQYLSRUSA-N 0 0 411.835 5.671 50 0 HKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccccc2F)C1c1ccc(Cl)cc1 ZINC000045928323 526958796 /nfs/dbraw/zinc/95/87/96/526958796.db2.gz ZKGVBCRKACQYDY-NRFANRHFSA-N 0 0 411.835 5.671 50 0 HKAARN O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000045928341 526958805 /nfs/dbraw/zinc/95/88/05/526958805.db2.gz PRZWCIMBFFHODT-JOCHJYFZSA-N 0 0 407.872 5.574 50 0 HKAARN O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(F)cc2)C1c1ccc(Cl)cc1 ZINC000045928346 526959330 /nfs/dbraw/zinc/95/93/30/526959330.db2.gz PRZWCIMBFFHODT-QFIPXVFZSA-N 0 0 407.872 5.574 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045928349 524427453 /nfs/dbraw/zinc/42/74/53/524427453.db2.gz SWOBHFHKOLEIPV-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045928352 524426121 /nfs/dbraw/zinc/42/61/21/524426121.db2.gz SWOBHFHKOLEIPV-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928356 524427343 /nfs/dbraw/zinc/42/73/43/524427343.db2.gz MBSHICKAIDDZPL-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045928358 524425852 /nfs/dbraw/zinc/42/58/52/524425852.db2.gz MBSHICKAIDDZPL-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045928375 524426881 /nfs/dbraw/zinc/42/68/81/524426881.db2.gz FWOSNZQDXIETOW-JOCHJYFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045928378 524427511 /nfs/dbraw/zinc/42/75/11/524427511.db2.gz FWOSNZQDXIETOW-QFIPXVFZSA-N 0 0 424.327 6.355 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(F)c(Cl)c2)C1c1ccc(F)cc1 ZINC000045928530 526959002 /nfs/dbraw/zinc/95/90/02/526959002.db2.gz KXRHVPQYKHKIJA-OAQYLSRUSA-N 0 0 411.835 5.671 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(F)c(Cl)c2)C1c1ccc(F)cc1 ZINC000045928534 526958861 /nfs/dbraw/zinc/95/88/61/526958861.db2.gz KXRHVPQYKHKIJA-NRFANRHFSA-N 0 0 411.835 5.671 50 0 HKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2cccc(Cl)c2)C1c1ccccc1 ZINC000045928559 526959307 /nfs/dbraw/zinc/95/93/07/526959307.db2.gz OXWRDDAQKDSUGO-OAQYLSRUSA-N 0 0 410.300 6.046 50 0 HKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2cccc(Cl)c2)C1c1ccccc1 ZINC000045928562 526958699 /nfs/dbraw/zinc/95/86/99/526958699.db2.gz OXWRDDAQKDSUGO-NRFANRHFSA-N 0 0 410.300 6.046 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)cc1 ZINC000045932675 519025640 /nfs/dbraw/zinc/02/56/40/519025640.db2.gz OUDUFHDQHDELPA-UHFFFAOYSA-N 0 0 404.579 5.917 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccccc3)C2=S)cc1 ZINC000045932698 519024858 /nfs/dbraw/zinc/02/48/58/519024858.db2.gz VAOCAZJMMPCJJT-UHFFFAOYSA-N 0 0 418.606 6.307 50 0 HKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)cc1 ZINC000045932739 526078385 /nfs/dbraw/zinc/07/83/85/526078385.db2.gz WGPDTEDWZONKAV-UHFFFAOYSA-N 0 0 404.579 5.835 50 0 HKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1 ZINC000045932760 526079797 /nfs/dbraw/zinc/07/97/97/526079797.db2.gz MFWUTVULOMLQEP-UHFFFAOYSA-N 0 0 418.606 6.225 50 0 HKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(C)cc3)C2=S)cc1 ZINC000045932778 523873571 /nfs/dbraw/zinc/87/35/71/523873571.db2.gz USKVBHJDAULUEL-UHFFFAOYSA-N 0 0 406.551 5.327 50 0 HKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)cc1 ZINC000045932821 523619197 /nfs/dbraw/zinc/61/91/97/523619197.db2.gz QYUMHBYJJQLEPW-UHFFFAOYSA-N 0 0 420.578 5.536 50 0 HKAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1 ZINC000045932837 523619604 /nfs/dbraw/zinc/61/96/04/523619604.db2.gz ZFWHXYKDYVJYEK-UHFFFAOYSA-N 0 0 412.942 5.282 50 0 HKAARN COc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCC3)cc1 ZINC000045932852 523618560 /nfs/dbraw/zinc/61/85/60/523618560.db2.gz FUOKUHRMBIJMSK-UHFFFAOYSA-N 0 0 412.942 5.282 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932906 519024878 /nfs/dbraw/zinc/02/48/78/519024878.db2.gz HSIIJJFNYVTVJO-UHFFFAOYSA-N 0 0 408.542 5.666 50 0 HKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCC2 ZINC000045932921 526688579 /nfs/dbraw/zinc/68/85/79/526688579.db2.gz UNRGFFKKULDMRT-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932929 519025220 /nfs/dbraw/zinc/02/52/20/519025220.db2.gz DURRYNAGJFZTLE-UHFFFAOYSA-N 0 0 422.569 6.056 50 0 HKAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCC2 ZINC000045932937 526688571 /nfs/dbraw/zinc/68/85/71/526688571.db2.gz GSDJPIDIOUJHAY-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932949 523873204 /nfs/dbraw/zinc/87/32/04/523873204.db2.gz QRKHFDINSXBAJR-UHFFFAOYSA-N 0 0 410.514 5.157 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 ZINC000045932981 519025123 /nfs/dbraw/zinc/02/51/23/519025123.db2.gz JSLSZVQYXJRZNJ-UHFFFAOYSA-N 0 0 424.997 6.180 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 ZINC000045932990 526676041 /nfs/dbraw/zinc/67/60/41/526676041.db2.gz ZWYWKOHZWFJLGQ-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 ZINC000045932994 523873304 /nfs/dbraw/zinc/87/33/04/523873304.db2.gz PTKBIQANNFKAMU-UHFFFAOYSA-N 0 0 412.942 5.282 50 0 HKAARN Cc1cccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)c1 ZINC000045933017 524333846 /nfs/dbraw/zinc/33/38/46/524333846.db2.gz LIOFSCNOAWPYQF-UHFFFAOYSA-N 0 0 410.970 5.971 50 0 HKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)cc1C ZINC000045933050 526079207 /nfs/dbraw/zinc/07/92/07/526079207.db2.gz XMNKBXIVLUVRHZ-UHFFFAOYSA-N 0 0 418.606 6.144 50 0 HKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1C ZINC000045933066 526079058 /nfs/dbraw/zinc/07/90/58/526079058.db2.gz JHFMDGRWNQTHMM-UHFFFAOYSA-N 0 0 410.970 5.890 50 0 HKAARN COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)cc1 ZINC000045933070 523873008 /nfs/dbraw/zinc/87/30/08/523873008.db2.gz PAJQRWVAUOGWLZ-UHFFFAOYSA-N 0 0 406.551 5.245 50 0 HKAARN Cc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCC3)cc1C ZINC000045933081 526078996 /nfs/dbraw/zinc/07/89/96/526078996.db2.gz CAYCEFAPRSBQII-UHFFFAOYSA-N 0 0 410.970 5.890 50 0 HKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)cc1 ZINC000045933092 523873121 /nfs/dbraw/zinc/87/31/21/523873121.db2.gz UVSKGAGQWWTMAF-UHFFFAOYSA-N 0 0 420.578 5.635 50 0 HKAARN Cc1cccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)c1 ZINC000045933099 524334499 /nfs/dbraw/zinc/33/44/99/524334499.db2.gz BHBRJAHDMQDLHF-UHFFFAOYSA-N 0 0 404.579 5.935 50 0 HKAARN Cc1cccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)c1 ZINC000045933133 524166876 /nfs/dbraw/zinc/16/68/76/524166876.db2.gz ANTCOCRPTZTLCS-UHFFFAOYSA-N 0 0 404.579 5.835 50 0 HKAARN Cc1cccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)c1 ZINC000045933154 524166500 /nfs/dbraw/zinc/16/65/00/524166500.db2.gz FPFAQSOXBLYTSE-UHFFFAOYSA-N 0 0 418.606 6.225 50 0 HKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(C)c3)C2=S)cc1 ZINC000045933172 523873233 /nfs/dbraw/zinc/87/32/33/523873233.db2.gz CNCLZGFRGZNFJJ-UHFFFAOYSA-N 0 0 406.551 5.327 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 ZINC000045933217 519026421 /nfs/dbraw/zinc/02/64/21/519026421.db2.gz REFLEZBDQZUVQU-UHFFFAOYSA-N 0 0 408.542 5.666 50 0 HKAARN O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCC2 ZINC000045933230 526763363 /nfs/dbraw/zinc/76/33/63/526763363.db2.gz IZNBQYOXCWEIDU-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 ZINC000045933237 519025676 /nfs/dbraw/zinc/02/56/76/519025676.db2.gz BHDVOMJCVQWOHY-UHFFFAOYSA-N 0 0 422.569 6.056 50 0 HKAARN O=C(c1cccc(F)c1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCC2 ZINC000045933244 526763317 /nfs/dbraw/zinc/76/33/17/526763317.db2.gz DKOMDLLCPJGZIK-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 ZINC000045933255 523873764 /nfs/dbraw/zinc/87/37/64/523873764.db2.gz HBAMVSMISPQCKB-UHFFFAOYSA-N 0 0 410.514 5.157 50 0 HKAARN CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 ZINC000045933283 519025394 /nfs/dbraw/zinc/02/53/94/519025394.db2.gz YKIMMGBLFQUCDR-UHFFFAOYSA-N 0 0 424.997 6.180 50 0 HKAARN O=C(c1cccc(Cl)c1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 ZINC000045933291 526758314 /nfs/dbraw/zinc/75/83/14/526758314.db2.gz VHZQSLFFQLFLTH-UHFFFAOYSA-N 0 0 400.906 5.412 50 0 HKAARN COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 ZINC000045933295 523873438 /nfs/dbraw/zinc/87/34/38/523873438.db2.gz DTUSWKDYUWJYES-UHFFFAOYSA-N 0 0 412.942 5.282 50 0 HKAARN Cc1cccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)c1 ZINC000045933317 524333592 /nfs/dbraw/zinc/33/35/92/524333592.db2.gz OAKBUSKCYCWNLU-UHFFFAOYSA-N 0 0 410.970 5.971 50 0 HKAARN CCn1c2cc(NC(=O)c3ccccc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940811 523259014 /nfs/dbraw/zinc/25/90/14/523259014.db2.gz FNJHKEBIMGYURO-UHFFFAOYSA-N 0 0 417.534 5.246 50 0 HKAARN CCn1c2cc(NC(=O)c3cccs3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045940814 523259871 /nfs/dbraw/zinc/25/98/71/523259871.db2.gz KYKGWKHVYOBXOI-UHFFFAOYSA-N 0 0 423.563 5.308 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941335 568422001 /nfs/dbraw/zinc/42/20/01/568422001.db2.gz WMYHWPIRIAHYLN-RUZDIDTESA-N 0 0 413.517 5.871 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941337 568421980 /nfs/dbraw/zinc/42/19/80/568421980.db2.gz WMYHWPIRIAHYLN-VWLOTQADSA-N 0 0 413.517 5.871 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2Br)C1c1ccccc1 ZINC000045941338 568422004 /nfs/dbraw/zinc/42/20/04/568422004.db2.gz FCJDUBQUIAMGCR-OAQYLSRUSA-N 0 0 420.306 5.502 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2Br)C1c1ccccc1 ZINC000045941340 568421977 /nfs/dbraw/zinc/42/19/77/568421977.db2.gz FCJDUBQUIAMGCR-NRFANRHFSA-N 0 0 420.306 5.502 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045941346 568421984 /nfs/dbraw/zinc/42/19/84/568421984.db2.gz HDPABZKMLALEDY-OAQYLSRUSA-N 0 0 420.306 5.502 50 0 HKAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045941348 568421983 /nfs/dbraw/zinc/42/19/83/568421983.db2.gz HDPABZKMLALEDY-NRFANRHFSA-N 0 0 420.306 5.502 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045941362 568421975 /nfs/dbraw/zinc/42/19/75/568421975.db2.gz YXCYOZZHYWPESN-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)cc1 ZINC000045941364 568422002 /nfs/dbraw/zinc/42/20/02/568422002.db2.gz YXCYOZZHYWPESN-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941369 568421997 /nfs/dbraw/zinc/42/19/97/568421997.db2.gz SNUSDNGJEPDQNR-XMMPIXPASA-N 0 0 417.936 6.516 50 0 HKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941371 568422126 /nfs/dbraw/zinc/42/21/26/568422126.db2.gz SNUSDNGJEPDQNR-DEOSSOPVSA-N 0 0 417.936 6.516 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941373 568422115 /nfs/dbraw/zinc/42/21/15/568422115.db2.gz ZNHVORWTLAZTJT-HSZRJFAPSA-N 0 0 403.909 5.955 50 0 HKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941375 568422120 /nfs/dbraw/zinc/42/21/20/568422120.db2.gz ZNHVORWTLAZTJT-QHCPKHFHSA-N 0 0 403.909 5.955 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941377 568422128 /nfs/dbraw/zinc/42/21/28/568422128.db2.gz VJCHMJOIDHQMOF-XMMPIXPASA-N 0 0 417.936 6.264 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000045941379 568422093 /nfs/dbraw/zinc/42/20/93/568422093.db2.gz VJCHMJOIDHQMOF-DEOSSOPVSA-N 0 0 417.936 6.264 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000045941395 568422136 /nfs/dbraw/zinc/42/21/36/568422136.db2.gz CFRNKFAOZPVFOD-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000045941396 568422091 /nfs/dbraw/zinc/42/20/91/568422091.db2.gz CFRNKFAOZPVFOD-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000045941398 568422141 /nfs/dbraw/zinc/42/21/41/568422141.db2.gz ZXOPIKMZKWQAOK-HSZRJFAPSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000045941400 568422102 /nfs/dbraw/zinc/42/21/02/568422102.db2.gz ZXOPIKMZKWQAOK-QHCPKHFHSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000045941413 568422133 /nfs/dbraw/zinc/42/21/33/568422133.db2.gz JNIUATOLPNEVOV-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000045941415 568422113 /nfs/dbraw/zinc/42/21/13/568422113.db2.gz JNIUATOLPNEVOV-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000045941428 568422149 /nfs/dbraw/zinc/42/21/49/568422149.db2.gz ZQYYBIOZJQHQKH-RUZDIDTESA-N 0 0 413.517 5.871 50 0 HKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000045941430 568422124 /nfs/dbraw/zinc/42/21/24/568422124.db2.gz ZQYYBIOZJQHQKH-VWLOTQADSA-N 0 0 413.517 5.871 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2OC)cc1 ZINC000045941457 568422117 /nfs/dbraw/zinc/42/21/17/568422117.db2.gz SGOQPOCHTPFQOH-RUZDIDTESA-N 0 0 413.517 5.619 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2OC)cc1 ZINC000045941458 568422146 /nfs/dbraw/zinc/42/21/46/568422146.db2.gz SGOQPOCHTPFQOH-VWLOTQADSA-N 0 0 413.517 5.619 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045941472 568422121 /nfs/dbraw/zinc/42/21/21/568422121.db2.gz SHHRLYRFWOHHJD-XMMPIXPASA-N 0 0 415.489 5.065 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045941474 568422082 /nfs/dbraw/zinc/42/20/82/568422082.db2.gz SHHRLYRFWOHHJD-DEOSSOPVSA-N 0 0 415.489 5.065 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941476 568422134 /nfs/dbraw/zinc/42/21/34/568422134.db2.gz RDXOYZIYFLOFIQ-HSZRJFAPSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941478 568422125 /nfs/dbraw/zinc/42/21/25/568422125.db2.gz RDXOYZIYFLOFIQ-QHCPKHFHSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045941480 568422111 /nfs/dbraw/zinc/42/21/11/568422111.db2.gz CTWBEPOESKZNNN-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045941482 568422139 /nfs/dbraw/zinc/42/21/39/568422139.db2.gz CTWBEPOESKZNNN-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045941484 568422108 /nfs/dbraw/zinc/42/21/08/568422108.db2.gz HHBQHIUMRBVPTI-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045941486 568422122 /nfs/dbraw/zinc/42/21/22/568422122.db2.gz HHBQHIUMRBVPTI-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941496 568422099 /nfs/dbraw/zinc/42/20/99/568422099.db2.gz DRIUSRBXZNLQED-RUZDIDTESA-N 0 0 413.517 5.871 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941497 568422142 /nfs/dbraw/zinc/42/21/42/568422142.db2.gz DRIUSRBXZNLQED-VWLOTQADSA-N 0 0 413.517 5.871 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941522 568422148 /nfs/dbraw/zinc/42/21/48/568422148.db2.gz XQLAADQVEMUWME-RUZDIDTESA-N 0 0 413.517 5.619 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941524 568422131 /nfs/dbraw/zinc/42/21/31/568422131.db2.gz XQLAADQVEMUWME-VWLOTQADSA-N 0 0 413.517 5.619 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941551 568422140 /nfs/dbraw/zinc/42/21/40/568422140.db2.gz RXGADQIYGPIZIU-HSZRJFAPSA-N 0 0 403.909 6.010 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941553 568422116 /nfs/dbraw/zinc/42/21/16/568422116.db2.gz RXGADQIYGPIZIU-QHCPKHFHSA-N 0 0 403.909 6.010 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941555 568422132 /nfs/dbraw/zinc/42/21/32/568422132.db2.gz GILGEEDVADKAGO-HSZRJFAPSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941557 568422118 /nfs/dbraw/zinc/42/21/18/568422118.db2.gz GILGEEDVADKAGO-QHCPKHFHSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045941567 568422130 /nfs/dbraw/zinc/42/21/30/568422130.db2.gz QOTVZAZXQBXTDR-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045941569 568422143 /nfs/dbraw/zinc/42/21/43/568422143.db2.gz QOTVZAZXQBXTDR-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941579 568422119 /nfs/dbraw/zinc/42/21/19/568422119.db2.gz ONTKDGDVAOWBRX-AREMUKBSSA-N 0 0 411.545 6.480 50 0 HKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941581 568422145 /nfs/dbraw/zinc/42/21/45/568422145.db2.gz ONTKDGDVAOWBRX-SANMLTNESA-N 0 0 411.545 6.480 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941602 568422144 /nfs/dbraw/zinc/42/21/44/568422144.db2.gz NBIBAJPDKJWAQB-RUZDIDTESA-N 0 0 413.517 5.619 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941604 568422129 /nfs/dbraw/zinc/42/21/29/568422129.db2.gz NBIBAJPDKJWAQB-VWLOTQADSA-N 0 0 413.517 5.619 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045941622 568422087 /nfs/dbraw/zinc/42/20/87/568422087.db2.gz QBJRKGZHOMIUOW-XMMPIXPASA-N 0 0 415.489 5.065 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045941623 568422114 /nfs/dbraw/zinc/42/21/14/568422114.db2.gz QBJRKGZHOMIUOW-DEOSSOPVSA-N 0 0 415.489 5.065 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000045941625 568422137 /nfs/dbraw/zinc/42/21/37/568422137.db2.gz YECNMJANTQVHRT-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000045941626 568422095 /nfs/dbraw/zinc/42/20/95/568422095.db2.gz YECNMJANTQVHRT-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000045941628 568422112 /nfs/dbraw/zinc/42/21/12/568422112.db2.gz FRVXMBGHLFAANS-HSZRJFAPSA-N 0 0 419.908 5.710 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000045941630 568422222 /nfs/dbraw/zinc/42/22/22/568422222.db2.gz FRVXMBGHLFAANS-QHCPKHFHSA-N 0 0 419.908 5.710 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 ZINC000045941632 568422208 /nfs/dbraw/zinc/42/22/08/568422208.db2.gz MKNOZFIOMGINAY-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000045941634 568422320 /nfs/dbraw/zinc/42/23/20/568422320.db2.gz MKNOZFIOMGINAY-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941672 568422212 /nfs/dbraw/zinc/42/22/12/568422212.db2.gz UERKHGAUIKAANT-RUZDIDTESA-N 0 0 413.517 5.619 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941674 568422314 /nfs/dbraw/zinc/42/23/14/568422314.db2.gz UERKHGAUIKAANT-VWLOTQADSA-N 0 0 413.517 5.619 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045941692 568422317 /nfs/dbraw/zinc/42/23/17/568422317.db2.gz LLIVAWCGGVTETA-HSZRJFAPSA-N 0 0 403.453 5.196 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045941694 568422322 /nfs/dbraw/zinc/42/23/22/568422322.db2.gz LLIVAWCGGVTETA-QHCPKHFHSA-N 0 0 403.453 5.196 50 0 HKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941714 568422238 /nfs/dbraw/zinc/42/22/38/568422238.db2.gz OJMFYBWJNZKRSP-XMMPIXPASA-N 0 0 401.481 6.002 50 0 HKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941716 568422301 /nfs/dbraw/zinc/42/23/01/568422301.db2.gz OJMFYBWJNZKRSP-DEOSSOPVSA-N 0 0 401.481 6.002 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941718 568422250 /nfs/dbraw/zinc/42/22/50/568422250.db2.gz AFSBSOQTQQBVSJ-RUZDIDTESA-N 0 0 415.508 6.310 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941720 568422312 /nfs/dbraw/zinc/42/23/12/568422312.db2.gz AFSBSOQTQQBVSJ-VWLOTQADSA-N 0 0 415.508 6.310 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941740 568422230 /nfs/dbraw/zinc/42/22/30/568422230.db2.gz AYCUTZJYZOAQMD-XMMPIXPASA-N 0 0 401.481 5.749 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941742 568422202 /nfs/dbraw/zinc/42/22/02/568422202.db2.gz AYCUTZJYZOAQMD-DEOSSOPVSA-N 0 0 401.481 5.749 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941744 568422267 /nfs/dbraw/zinc/42/22/67/568422267.db2.gz WTZRLLWWNNIOKR-XMMPIXPASA-N 0 0 417.480 5.450 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941746 568422218 /nfs/dbraw/zinc/42/22/18/568422218.db2.gz WTZRLLWWNNIOKR-DEOSSOPVSA-N 0 0 417.480 5.450 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941763 568920897 /nfs/dbraw/zinc/92/08/97/568920897.db2.gz ZNJRBJGDNKQOEO-HSZRJFAPSA-N 0 0 403.909 5.744 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941765 568422240 /nfs/dbraw/zinc/42/22/40/568422240.db2.gz ZNJRBJGDNKQOEO-QHCPKHFHSA-N 0 0 403.909 5.744 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941777 568422235 /nfs/dbraw/zinc/42/22/35/568422235.db2.gz ZEXQLGSMONWZTE-AREMUKBSSA-N 0 0 411.545 6.214 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045941779 568422286 /nfs/dbraw/zinc/42/22/86/568422286.db2.gz ZEXQLGSMONWZTE-SANMLTNESA-N 0 0 411.545 6.214 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045941796 568422307 /nfs/dbraw/zinc/42/23/07/568422307.db2.gz LZUPXMRAUXMBAH-RUZDIDTESA-N 0 0 413.517 5.353 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045941798 568422206 /nfs/dbraw/zinc/42/22/06/568422206.db2.gz LZUPXMRAUXMBAH-VWLOTQADSA-N 0 0 413.517 5.353 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045941900 568422277 /nfs/dbraw/zinc/42/22/77/568422277.db2.gz IWXYLKBRWSMZGI-OAQYLSRUSA-N 0 0 410.300 6.359 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045941902 568422243 /nfs/dbraw/zinc/42/22/43/568422243.db2.gz IWXYLKBRWSMZGI-NRFANRHFSA-N 0 0 410.300 6.359 50 0 HKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045941915 568422248 /nfs/dbraw/zinc/42/22/48/568422248.db2.gz OBJLBBBDMOUUMP-HSZRJFAPSA-N 0 0 403.909 6.521 50 0 HKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045941918 568422204 /nfs/dbraw/zinc/42/22/04/568422204.db2.gz OBJLBBBDMOUUMP-QHCPKHFHSA-N 0 0 403.909 6.521 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045941919 568422214 /nfs/dbraw/zinc/42/22/14/568422214.db2.gz JQSUGDSWHHQECN-HSZRJFAPSA-N 0 0 403.909 6.268 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045941921 568422232 /nfs/dbraw/zinc/42/22/32/568422232.db2.gz JQSUGDSWHHQECN-QHCPKHFHSA-N 0 0 403.909 6.268 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000045942003 568921123 /nfs/dbraw/zinc/92/11/23/568921123.db2.gz ZQEQYVZLRBWPDK-JOCHJYFZSA-N 0 0 421.949 6.115 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000045942005 568422220 /nfs/dbraw/zinc/42/22/20/568422220.db2.gz ZQEQYVZLRBWPDK-QFIPXVFZSA-N 0 0 421.949 6.115 50 0 HKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C1c1ccccc1 ZINC000045942021 568422252 /nfs/dbraw/zinc/42/22/52/568422252.db2.gz YYFULYVZBXADBN-OAQYLSRUSA-N 0 0 410.300 6.046 50 0 HKAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C1c1ccccc1 ZINC000045942022 568422261 /nfs/dbraw/zinc/42/22/61/568422261.db2.gz YYFULYVZBXADBN-NRFANRHFSA-N 0 0 410.300 6.046 50 0 HKAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045942077 568422227 /nfs/dbraw/zinc/42/22/27/568422227.db2.gz JHXSONNQNVNQKN-OAQYLSRUSA-N 0 0 419.864 5.184 50 0 HKAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000045942079 560783320 /nfs/dbraw/zinc/78/33/20/560783320.db2.gz JHXSONNQNVNQKN-NRFANRHFSA-N 0 0 419.864 5.184 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C)cc2)c(OC)c1 ZINC000045942104 568422355 /nfs/dbraw/zinc/42/23/55/568422355.db2.gz JEKPZXKKVARUSH-XMMPIXPASA-N 0 0 415.489 5.065 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C)cc2)c(OC)c1 ZINC000045942106 568422385 /nfs/dbraw/zinc/42/23/85/568422385.db2.gz JEKPZXKKVARUSH-DEOSSOPVSA-N 0 0 415.489 5.065 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000045942159 568422439 /nfs/dbraw/zinc/42/24/39/568422439.db2.gz OOHFQCAAXFVUHA-HSZRJFAPSA-N 0 0 401.531 5.770 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045942161 568921116 /nfs/dbraw/zinc/92/11/16/568921116.db2.gz OOHFQCAAXFVUHA-QHCPKHFHSA-N 0 0 401.531 5.770 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045942162 568921144 /nfs/dbraw/zinc/92/11/44/568921144.db2.gz BYPIVRQQFQEZLI-HSZRJFAPSA-N 0 0 417.530 5.470 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@H]2c2ccccc2)cc1 ZINC000045942164 568422402 /nfs/dbraw/zinc/42/24/02/568422402.db2.gz BYPIVRQQFQEZLI-QHCPKHFHSA-N 0 0 417.530 5.470 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045942166 568422424 /nfs/dbraw/zinc/42/24/24/568422424.db2.gz KFTWVXKOICAGPH-HSZRJFAPSA-N 0 0 401.531 5.770 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045942168 568422394 /nfs/dbraw/zinc/42/23/94/568422394.db2.gz KFTWVXKOICAGPH-QHCPKHFHSA-N 0 0 401.531 5.770 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942170 568921128 /nfs/dbraw/zinc/92/11/28/568921128.db2.gz JKKDQGSFOKRKHR-JOCHJYFZSA-N 0 0 421.949 6.115 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942172 568422376 /nfs/dbraw/zinc/42/23/76/568422376.db2.gz JKKDQGSFOKRKHR-QFIPXVFZSA-N 0 0 421.949 6.115 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000045942180 568422360 /nfs/dbraw/zinc/42/23/60/568422360.db2.gz MCKZBOZJMPYQLZ-JOCHJYFZSA-N 0 0 405.494 5.600 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942182 568422411 /nfs/dbraw/zinc/42/24/11/568422411.db2.gz MCKZBOZJMPYQLZ-QFIPXVFZSA-N 0 0 405.494 5.600 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045942183 568422392 /nfs/dbraw/zinc/42/23/92/568422392.db2.gz CEWVFERYEPISDO-HSZRJFAPSA-N 0 0 419.521 5.909 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942185 568422398 /nfs/dbraw/zinc/42/23/98/568422398.db2.gz CEWVFERYEPISDO-QHCPKHFHSA-N 0 0 419.521 5.909 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942190 568422442 /nfs/dbraw/zinc/42/24/42/568422442.db2.gz FQQIQTMSSFIYDY-HSZRJFAPSA-N 0 0 419.521 5.909 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942192 568921139 /nfs/dbraw/zinc/92/11/39/568921139.db2.gz FQQIQTMSSFIYDY-QHCPKHFHSA-N 0 0 419.521 5.909 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942230 568422422 /nfs/dbraw/zinc/42/24/22/568422422.db2.gz FKRCQNKKAALKRC-XMMPIXPASA-N 0 0 415.558 6.024 50 0 HKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(SC)cc2)cc1 ZINC000045942232 568422367 /nfs/dbraw/zinc/42/23/67/568422367.db2.gz FKRCQNKKAALKRC-DEOSSOPVSA-N 0 0 415.558 6.024 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045942244 568422428 /nfs/dbraw/zinc/42/24/28/568422428.db2.gz KSRFDTBKBBGKQI-JOCHJYFZSA-N 0 0 405.881 5.401 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000045942246 568921164 /nfs/dbraw/zinc/92/11/64/568921164.db2.gz KSRFDTBKBBGKQI-QFIPXVFZSA-N 0 0 405.881 5.401 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045942248 568422437 /nfs/dbraw/zinc/42/24/37/568422437.db2.gz LKUUINZOYSFDNQ-HSZRJFAPSA-N 0 0 403.909 6.010 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045942249 568422388 /nfs/dbraw/zinc/42/23/88/568422388.db2.gz LKUUINZOYSFDNQ-QHCPKHFHSA-N 0 0 403.909 6.010 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045942251 568422371 /nfs/dbraw/zinc/42/23/71/568422371.db2.gz GKENIYOWKAKFJH-HSZRJFAPSA-N 0 0 419.908 5.710 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045942253 568422420 /nfs/dbraw/zinc/42/24/20/568422420.db2.gz GKENIYOWKAKFJH-QHCPKHFHSA-N 0 0 419.908 5.710 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942255 568422356 /nfs/dbraw/zinc/42/23/56/568422356.db2.gz BPTHRBILMGVFGS-JOCHJYFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942257 568921167 /nfs/dbraw/zinc/92/11/67/568921167.db2.gz BPTHRBILMGVFGS-QFIPXVFZSA-N 0 0 424.327 6.355 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942258 568422350 /nfs/dbraw/zinc/42/23/50/568422350.db2.gz WEVUDQROQGMVIE-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045942260 568422407 /nfs/dbraw/zinc/42/24/07/568422407.db2.gz WEVUDQROQGMVIE-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942262 568921192 /nfs/dbraw/zinc/92/11/92/568921192.db2.gz SOVFQDOSJORITM-JOCHJYFZSA-N 0 0 407.872 5.840 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942264 568422352 /nfs/dbraw/zinc/42/23/52/568422352.db2.gz SOVFQDOSJORITM-QFIPXVFZSA-N 0 0 407.872 5.840 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942266 568422400 /nfs/dbraw/zinc/42/24/00/568422400.db2.gz YCIZHBRABWWOOA-JOCHJYFZSA-N 0 0 423.871 5.541 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942268 568422391 /nfs/dbraw/zinc/42/23/91/568422391.db2.gz YCIZHBRABWWOOA-QFIPXVFZSA-N 0 0 423.871 5.541 50 0 HKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942270 568921117 /nfs/dbraw/zinc/92/11/17/568921117.db2.gz YOBHSWKFMJJQJM-XMMPIXPASA-N 0 0 417.936 6.516 50 0 HKAARN CC(C)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942271 568422383 /nfs/dbraw/zinc/42/23/83/568422383.db2.gz YOBHSWKFMJJQJM-DEOSSOPVSA-N 0 0 417.936 6.516 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942298 568422444 /nfs/dbraw/zinc/42/24/44/568422444.db2.gz KKFRRKAAAXTJEM-HSZRJFAPSA-N 0 0 403.909 5.955 50 0 HKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942300 568422380 /nfs/dbraw/zinc/42/23/80/568422380.db2.gz KKFRRKAAAXTJEM-QHCPKHFHSA-N 0 0 403.909 5.955 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942302 568921114 /nfs/dbraw/zinc/92/11/14/568921114.db2.gz KXWZWOACYBMNMY-XMMPIXPASA-N 0 0 417.936 6.264 50 0 HKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000045942303 568422405 /nfs/dbraw/zinc/42/24/05/568422405.db2.gz KXWZWOACYBMNMY-DEOSSOPVSA-N 0 0 417.936 6.264 50 0 HKAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045942324 568921170 /nfs/dbraw/zinc/92/11/70/568921170.db2.gz UMFNBAJCNFZNGO-JOCHJYFZSA-N 0 0 419.864 5.122 50 0 HKAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045942326 568422413 /nfs/dbraw/zinc/42/24/13/568422413.db2.gz UMFNBAJCNFZNGO-QFIPXVFZSA-N 0 0 419.864 5.122 50 0 HKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942377 568422349 /nfs/dbraw/zinc/42/23/49/568422349.db2.gz PGGAWBRYZMROQX-XMMPIXPASA-N 0 0 413.473 5.031 50 0 HKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000045942379 568921182 /nfs/dbraw/zinc/92/11/82/568921182.db2.gz PGGAWBRYZMROQX-DEOSSOPVSA-N 0 0 413.473 5.031 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942410 568422430 /nfs/dbraw/zinc/42/24/30/568422430.db2.gz ZWNDBPSKNFXGGG-XMMPIXPASA-N 0 0 417.480 6.015 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942412 568921172 /nfs/dbraw/zinc/92/11/72/568921172.db2.gz ZWNDBPSKNFXGGG-DEOSSOPVSA-N 0 0 417.480 6.015 50 0 HKAARN O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045942414 568422426 /nfs/dbraw/zinc/42/24/26/568422426.db2.gz JHUAJHYBPNBVMD-HXUWFJFHSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045942416 568422396 /nfs/dbraw/zinc/42/23/96/568422396.db2.gz JHUAJHYBPNBVMD-FQEVSTJZSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942433 568921179 /nfs/dbraw/zinc/92/11/79/568921179.db2.gz YCEKNKSYCWSIKM-HXUWFJFHSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942434 568921122 /nfs/dbraw/zinc/92/11/22/568921122.db2.gz YCEKNKSYCWSIKM-FQEVSTJZSA-N 0 0 424.269 5.645 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942457 568422418 /nfs/dbraw/zinc/42/24/18/568422418.db2.gz FONAPUAEFNMIJQ-RUZDIDTESA-N 0 0 413.517 6.184 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942459 568422416 /nfs/dbraw/zinc/42/24/16/568422416.db2.gz FONAPUAEFNMIJQ-VWLOTQADSA-N 0 0 413.517 6.184 50 0 HKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000045942461 568422378 /nfs/dbraw/zinc/42/23/78/568422378.db2.gz FRPNLRLMSOSBGL-OAQYLSRUSA-N 0 0 420.306 5.815 50 0 HKAARN Cc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000045942463 568422435 /nfs/dbraw/zinc/42/24/35/568422435.db2.gz FRPNLRLMSOSBGL-NRFANRHFSA-N 0 0 420.306 5.815 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045942476 568422580 /nfs/dbraw/zinc/42/25/80/568422580.db2.gz BIRJTRUVAWVYDZ-OAQYLSRUSA-N 0 0 420.306 5.815 50 0 HKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000045942477 568422584 /nfs/dbraw/zinc/42/25/84/568422584.db2.gz BIRJTRUVAWVYDZ-NRFANRHFSA-N 0 0 420.306 5.815 50 0 HKAARN O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2F)C1c1ccccc1 ZINC000045942487 568422552 /nfs/dbraw/zinc/42/25/52/568422552.db2.gz AJLAOVHVAHGAFS-HXUWFJFHSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2F)C1c1ccccc1 ZINC000045942488 568422548 /nfs/dbraw/zinc/42/25/48/568422548.db2.gz AJLAOVHVAHGAFS-FQEVSTJZSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045942498 568422573 /nfs/dbraw/zinc/42/25/73/568422573.db2.gz BFPCHWNEHSXYKV-HXUWFJFHSA-N 0 0 424.269 5.645 50 0 HKAARN O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045942500 568422549 /nfs/dbraw/zinc/42/25/49/568422549.db2.gz BFPCHWNEHSXYKV-FQEVSTJZSA-N 0 0 424.269 5.645 50 0 HKAARN COc1ccc(N2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942535 568921146 /nfs/dbraw/zinc/92/11/46/568921146.db2.gz FICRMJGHJLONDE-RUZDIDTESA-N 0 0 413.517 6.184 50 0 HKAARN COc1ccc(N2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942536 568422525 /nfs/dbraw/zinc/42/25/25/568422525.db2.gz FICRMJGHJLONDE-VWLOTQADSA-N 0 0 413.517 6.184 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942575 568422568 /nfs/dbraw/zinc/42/25/68/568422568.db2.gz CJKVVBFOBJTNLV-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942577 568422582 /nfs/dbraw/zinc/42/25/82/568422582.db2.gz CJKVVBFOBJTNLV-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 ZINC000045942583 568921105 /nfs/dbraw/zinc/92/11/05/568921105.db2.gz MVKSQTZCRDYNMW-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000045942585 568921135 /nfs/dbraw/zinc/92/11/35/568921135.db2.gz MVKSQTZCRDYNMW-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942601 568422538 /nfs/dbraw/zinc/42/25/38/568422538.db2.gz JUDVITHBPSILAC-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942603 568921115 /nfs/dbraw/zinc/92/11/15/568921115.db2.gz JUDVITHBPSILAC-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942605 568921108 /nfs/dbraw/zinc/92/11/08/568921108.db2.gz ZNXXHADCDRTLJH-JOCHJYFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000045942607 568422575 /nfs/dbraw/zinc/42/25/75/568422575.db2.gz ZNXXHADCDRTLJH-QFIPXVFZSA-N 0 0 407.416 5.026 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942664 568422540 /nfs/dbraw/zinc/42/25/40/568422540.db2.gz SIQBUBMWXUUBFT-XMMPIXPASA-N 0 0 414.505 5.266 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942666 568422583 /nfs/dbraw/zinc/42/25/83/568422583.db2.gz SIQBUBMWXUUBFT-DEOSSOPVSA-N 0 0 414.505 5.266 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942732 568422572 /nfs/dbraw/zinc/42/25/72/568422572.db2.gz LPCJCDKXSWYEPM-XMMPIXPASA-N 0 0 414.505 5.266 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942734 568422576 /nfs/dbraw/zinc/42/25/76/568422576.db2.gz LPCJCDKXSWYEPM-DEOSSOPVSA-N 0 0 414.505 5.266 50 0 HKAARN O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942754 568422550 /nfs/dbraw/zinc/42/25/50/568422550.db2.gz XMXAAWXERPBMSL-LJQANCHMSA-N 0 0 410.267 5.095 50 0 HKAARN O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942756 568422565 /nfs/dbraw/zinc/42/25/65/568422565.db2.gz XMXAAWXERPBMSL-IBGZPJMESA-N 0 0 410.267 5.095 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942773 568422533 /nfs/dbraw/zinc/42/25/33/568422533.db2.gz BRHGYVDGNMVEDE-HSZRJFAPSA-N 0 0 403.478 5.464 50 0 HKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942774 568422553 /nfs/dbraw/zinc/42/25/53/568422553.db2.gz BRHGYVDGNMVEDE-QHCPKHFHSA-N 0 0 403.478 5.464 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000045942795 568422526 /nfs/dbraw/zinc/42/25/26/568422526.db2.gz HMCSMEINSOGIMU-JOCHJYFZSA-N 0 0 421.949 6.115 50 0 HKAARN CSc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000045942797 568422556 /nfs/dbraw/zinc/42/25/56/568422556.db2.gz HMCSMEINSOGIMU-QFIPXVFZSA-N 0 0 421.949 6.115 50 0 HKAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000045943110 524510746 /nfs/dbraw/zinc/51/07/46/524510746.db2.gz KBOHZURENNLKAE-UHFFFAOYSA-N 0 0 409.294 5.388 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000045943145 522511049 /nfs/dbraw/zinc/51/10/49/522511049.db2.gz SNJUVPKZFNKDKQ-UHFFFAOYSA-N 0 0 423.321 5.696 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(F)(F)F ZINC000045943174 527067537 /nfs/dbraw/zinc/06/75/37/527067537.db2.gz VURYEMDFAVZHNN-UHFFFAOYSA-N 0 0 412.820 5.745 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000045943184 527066786 /nfs/dbraw/zinc/06/67/86/527066786.db2.gz JYILYMLSSMEGID-UHFFFAOYSA-N 0 0 412.820 5.745 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000045943186 524227987 /nfs/dbraw/zinc/22/79/87/524227987.db2.gz BMZNVMMENWLBQU-UHFFFAOYSA-N 0 0 409.294 5.388 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc(Cl)c1 ZINC000045943201 527066843 /nfs/dbraw/zinc/06/68/43/527066843.db2.gz ZWZISZIMTHMKFH-UHFFFAOYSA-N 0 0 423.719 5.488 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000045943202 525082591 /nfs/dbraw/zinc/08/25/91/525082591.db2.gz LYEKSWLUASPTIG-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 ZINC000045943205 524420486 /nfs/dbraw/zinc/42/04/86/524420486.db2.gz GHRQNQVQDQRZAG-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943211 521876818 /nfs/dbraw/zinc/87/68/18/521876818.db2.gz LDPIZZZNOJHTGJ-UHFFFAOYSA-N 0 0 417.328 5.397 50 0 HKAARN Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943222 525243214 /nfs/dbraw/zinc/24/32/14/525243214.db2.gz TVBZYGNAAHUQIW-UHFFFAOYSA-N 0 0 403.301 5.143 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1C ZINC000045943223 525081507 /nfs/dbraw/zinc/08/15/07/525081507.db2.gz ZKCQPIDKIOBBIS-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)ccc1F ZINC000045943226 525157259 /nfs/dbraw/zinc/15/72/59/525157259.db2.gz DYAWEXQSJPWWFS-UHFFFAOYSA-N 0 0 421.291 5.282 50 0 HKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943227 525081954 /nfs/dbraw/zinc/08/19/54/525081954.db2.gz YGWPHDNGBALNGH-UHFFFAOYSA-N 0 0 403.301 5.143 50 0 HKAARN CCc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943231 523974225 /nfs/dbraw/zinc/97/42/25/523974225.db2.gz QMWRGEFAFAYUOW-UHFFFAOYSA-N 0 0 417.328 5.397 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943236 524282442 /nfs/dbraw/zinc/28/24/42/524282442.db2.gz JCZXTGAQJKJMLP-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN Cc1ccc(F)cc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943237 524860494 /nfs/dbraw/zinc/86/04/94/524860494.db2.gz LEVZFHWGNJIKJL-UHFFFAOYSA-N 0 0 421.291 5.282 50 0 HKAARN CCc1cccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 ZINC000045943245 521754495 /nfs/dbraw/zinc/75/44/95/521754495.db2.gz KOPHDCNEPRQSRA-UHFFFAOYSA-N 0 0 417.328 5.397 50 0 HKAARN CCN(C(=O)CSc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000045943249 519920610 /nfs/dbraw/zinc/92/06/10/519920610.db2.gz FEDBULCXWYEVBH-UHFFFAOYSA-N 0 0 417.328 5.249 50 0 HKAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NCCC1=CCCCC1 ZINC000045943264 527067532 /nfs/dbraw/zinc/06/75/32/527067532.db2.gz KOJKKJCZNAYVLA-UHFFFAOYSA-N 0 0 421.360 5.203 50 0 HKAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000045943286 527067278 /nfs/dbraw/zinc/06/72/78/527067278.db2.gz JDQUUZUHWGDTRS-UHFFFAOYSA-N 0 0 410.514 5.054 50 0 HKAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1Cl ZINC000045943289 524511421 /nfs/dbraw/zinc/51/14/21/524511421.db2.gz BYOIWPWXHBSFAR-UHFFFAOYSA-N 0 0 409.294 5.388 50 0 HKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1C ZINC000045943344 525775221 /nfs/dbraw/zinc/77/52/21/525775221.db2.gz SSIAQZGDINJBCS-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(C)c(C)c2)o1 ZINC000045943356 524227644 /nfs/dbraw/zinc/22/76/44/524227644.db2.gz MNSPGQJBUSMBOV-UHFFFAOYSA-N 0 0 402.903 5.351 50 0 HKAARN Cc1cc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)ccc1F ZINC000045943370 525159522 /nfs/dbraw/zinc/15/95/22/525159522.db2.gz ZCQNTOLQNZYQDV-UHFFFAOYSA-N 0 0 421.291 5.282 50 0 HKAARN CCc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000045943372 523974312 /nfs/dbraw/zinc/97/43/12/523974312.db2.gz GSVUJBBCONQUHD-UHFFFAOYSA-N 0 0 417.328 5.397 50 0 HKAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)NCCC1=CCCCC1 ZINC000045943388 527067042 /nfs/dbraw/zinc/06/70/42/527067042.db2.gz QTCROVCGKXFTLG-UHFFFAOYSA-N 0 0 421.360 5.203 50 0 HKAARN Cc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1C ZINC000045943390 524604988 /nfs/dbraw/zinc/60/49/88/524604988.db2.gz IXJLWRNHXPFJCH-UHFFFAOYSA-N 0 0 417.328 5.452 50 0 HKAARN C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(F)cc1 ZINC000045943400 526003998 /nfs/dbraw/zinc/00/39/98/526003998.db2.gz OLMYBKGYLTWFQT-NSHDSACASA-N 0 0 421.291 5.363 50 0 HKAARN C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(F)cc1 ZINC000045943401 526004396 /nfs/dbraw/zinc/00/43/96/526004396.db2.gz OLMYBKGYLTWFQT-LLVKDONJSA-N 0 0 421.291 5.363 50 0 HKAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2cccc(Br)c2)o1 ZINC000045943402 525258004 /nfs/dbraw/zinc/25/80/04/525258004.db2.gz KNMMUTVJTDDGFM-CYBMUJFWSA-N 0 0 417.328 5.532 50 0 HKAARN Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2cccc(Br)c2)o1 ZINC000045943403 525261326 /nfs/dbraw/zinc/26/13/26/525261326.db2.gz KNMMUTVJTDDGFM-ZDUSSCGKSA-N 0 0 417.328 5.532 50 0 HKAARN O=C(NC[C@@H]1CCCO1)c1sc2c(cnc3c(F)cccc23)c1-c1ccccc1 ZINC000045943723 526523364 /nfs/dbraw/zinc/52/33/64/526523364.db2.gz YKIOPQIUKWWQOV-HNNXBMFYSA-N 0 0 406.482 5.164 50 0 HKAARN O=C(NC[C@H]1CCCO1)c1sc2c(cnc3c(F)cccc23)c1-c1ccccc1 ZINC000045943725 526602018 /nfs/dbraw/zinc/60/20/18/526602018.db2.gz YKIOPQIUKWWQOV-OAHLLOKOSA-N 0 0 406.482 5.164 50 0 HKAARN COCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(C)cc1 ZINC000045943755 523930921 /nfs/dbraw/zinc/93/09/21/523930921.db2.gz BFFIGADJUXBPFC-UHFFFAOYSA-N 0 0 410.926 5.455 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(C)cc1 ZINC000045943761 523371576 /nfs/dbraw/zinc/37/15/76/523371576.db2.gz AIAKKWZHAZYVOC-UHFFFAOYSA-N 0 0 424.953 5.845 50 0 HKAARN Cc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@@H](C)O)cc1 ZINC000045943763 525712108 /nfs/dbraw/zinc/71/21/08/525712108.db2.gz KTDQAWBIFTXJOE-CYBMUJFWSA-N 0 0 410.926 5.189 50 0 HKAARN Cc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@H](C)O)cc1 ZINC000045943765 525712531 /nfs/dbraw/zinc/71/25/31/525712531.db2.gz KTDQAWBIFTXJOE-ZDUSSCGKSA-N 0 0 410.926 5.189 50 0 HKAARN Cc1ccc(-c2c3cnc4ccc(C)cc4c3sc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000045943774 525711939 /nfs/dbraw/zinc/71/19/39/525711939.db2.gz AABLVYBSBQVLDE-SFHVURJKSA-N 0 0 416.546 5.642 50 0 HKAARN Cc1ccc(-c2c3cnc4ccc(C)cc4c3sc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000045943776 525712843 /nfs/dbraw/zinc/71/28/43/525712843.db2.gz AABLVYBSBQVLDE-GOSISDBHSA-N 0 0 416.546 5.642 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccc(C)cc23)c1-c1ccc(C)cc1 ZINC000045943778 523371166 /nfs/dbraw/zinc/37/11/66/523371166.db2.gz BUTZIYXWYRGUHY-UHFFFAOYSA-N 0 0 404.535 5.500 50 0 HKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(C)cc23)c1-c1ccc(C)cc1 ZINC000045943782 519895973 /nfs/dbraw/zinc/89/59/73/519895973.db2.gz MNIPXKOZMHLQMS-UHFFFAOYSA-N 0 0 418.562 5.890 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943798 523371119 /nfs/dbraw/zinc/37/11/19/523371119.db2.gz ALCNOLULXHFEOQ-UHFFFAOYSA-N 0 0 420.534 5.200 50 0 HKAARN COCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(F)cc1 ZINC000045943809 523931815 /nfs/dbraw/zinc/93/18/15/523931815.db2.gz HHFWAFMLCSRLIP-UHFFFAOYSA-N 0 0 414.889 5.285 50 0 HKAARN CCc1ccc2ncc3c(sc(C(=O)NCCOC)c3-c3ccc(F)cc3)c2c1 ZINC000045943815 524060932 /nfs/dbraw/zinc/06/09/32/524060932.db2.gz GVWATIGOMZGPKV-UHFFFAOYSA-N 0 0 408.498 5.194 50 0 HKAARN CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@@H](C)O)cc1 ZINC000045943823 523852966 /nfs/dbraw/zinc/85/29/66/523852966.db2.gz JQQCFHLABMXFGE-CYBMUJFWSA-N 0 0 424.953 5.443 50 0 HKAARN CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NC[C@H](C)O)cc1 ZINC000045943825 523853115 /nfs/dbraw/zinc/85/31/15/523853115.db2.gz JQQCFHLABMXFGE-ZDUSSCGKSA-N 0 0 424.953 5.443 50 0 HKAARN CCOc1ccc2ncc3c(sc(C(=O)NCCOC)c3-c3ccc(C)cc3)c2c1 ZINC000045943831 521310111 /nfs/dbraw/zinc/31/01/11/521310111.db2.gz WUTNPXHSLBKGQI-UHFFFAOYSA-N 0 0 420.534 5.200 50 0 HKAARN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NC[C@@H]2CCCO2)cc1C ZINC000045943849 525711971 /nfs/dbraw/zinc/71/19/71/525711971.db2.gz AIHQQWLWUKZCFG-SFHVURJKSA-N 0 0 416.546 5.642 50 0 HKAARN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NC[C@H]2CCCO2)cc1C ZINC000045943851 525712168 /nfs/dbraw/zinc/71/21/68/525712168.db2.gz AIHQQWLWUKZCFG-GOSISDBHSA-N 0 0 416.546 5.642 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccccc23)c1-c1ccc(C)c(C)c1 ZINC000045943853 523370770 /nfs/dbraw/zinc/37/07/70/523370770.db2.gz GMOZIZBPZLZNTG-UHFFFAOYSA-N 0 0 404.535 5.500 50 0 HKAARN O=C(NC[C@@H]1CCCO1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943870 526522772 /nfs/dbraw/zinc/52/27/72/526522772.db2.gz RSGOTARNLRKZHK-INIZCTEOSA-N 0 0 422.937 5.679 50 0 HKAARN O=C(NC[C@H]1CCCO1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943873 526602199 /nfs/dbraw/zinc/60/21/99/526602199.db2.gz RSGOTARNLRKZHK-MRXNPFEDSA-N 0 0 422.937 5.679 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943875 523370506 /nfs/dbraw/zinc/37/05/06/523370506.db2.gz NDELMUWOQWSITN-UHFFFAOYSA-N 0 0 410.926 5.536 50 0 HKAARN CCOCCCNC(=O)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000045943879 519896055 /nfs/dbraw/zinc/89/60/55/519896055.db2.gz MOQNSWIGQTUNTH-UHFFFAOYSA-N 0 0 424.953 5.926 50 0 HKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(C)cc23)c1-c1ccccc1 ZINC000045943896 519896031 /nfs/dbraw/zinc/89/60/31/519896031.db2.gz GGGTVLHMCWUNDS-UHFFFAOYSA-N 0 0 404.535 5.581 50 0 HKAARN Cc1ccc2ncc3c(sc(C(=O)NCCCOC(C)C)c3-c3ccccc3)c2c1 ZINC000045943897 526258931 /nfs/dbraw/zinc/25/89/31/526258931.db2.gz XIHLIDQEADHQOF-UHFFFAOYSA-N 0 0 418.562 5.970 50 0 HKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943917 519895897 /nfs/dbraw/zinc/89/58/97/519895897.db2.gz HVELUQZVPMSTDN-UHFFFAOYSA-N 0 0 408.498 5.412 50 0 HKAARN O=C(NC[C@@H]1CCCO1)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943934 526523952 /nfs/dbraw/zinc/52/39/52/526523952.db2.gz DTEAEKCZJATGTG-INIZCTEOSA-N 0 0 422.937 5.679 50 0 HKAARN O=C(NC[C@H]1CCCO1)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943936 526602364 /nfs/dbraw/zinc/60/23/64/526602364.db2.gz DTEAEKCZJATGTG-MRXNPFEDSA-N 0 0 422.937 5.679 50 0 HKAARN CC(C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943938 519662675 /nfs/dbraw/zinc/66/26/75/519662675.db2.gz TZVQSCGRDAZJML-UHFFFAOYSA-N 0 0 408.954 6.546 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943940 523370718 /nfs/dbraw/zinc/37/07/18/523370718.db2.gz DPVRANBROMCCDG-UHFFFAOYSA-N 0 0 410.926 5.536 50 0 HKAARN CCc1ccc2ncc3c(sc(C(=O)NCCC(C)C)c3-c3ccccc3)c2c1 ZINC000045943950 524060970 /nfs/dbraw/zinc/06/09/70/524060970.db2.gz XRROYZKGYKKDCC-UHFFFAOYSA-N 0 0 402.563 6.455 50 0 HKAARN CCOCCCNC(=O)c1sc2c(cnc3ccc(CC)cc23)c1-c1ccccc1 ZINC000045943952 519895953 /nfs/dbraw/zinc/89/59/53/519895953.db2.gz XXYWKYMZIKLVRL-UHFFFAOYSA-N 0 0 418.562 5.835 50 0 HKAARN CCCCNC(=O)c1sc2c(cnc3c(OC)cccc23)c1-c1ccc(C)cc1 ZINC000045943956 520690268 /nfs/dbraw/zinc/69/02/68/520690268.db2.gz YENBHUNKNBPYPJ-UHFFFAOYSA-N 0 0 404.535 5.963 50 0 HKAARN COc1cccc2c3sc(C(=O)NCCC(C)C)c(-c4ccc(C)cc4)c3cnc12 ZINC000045943962 524255679 /nfs/dbraw/zinc/25/56/79/524255679.db2.gz PSXJZDVKMCWZFE-UHFFFAOYSA-N 0 0 418.562 6.209 50 0 HKAARN COCCCNC(=O)c1sc2c(cnc3c(OC)cccc23)c1-c1ccc(C)cc1 ZINC000045943964 523371383 /nfs/dbraw/zinc/37/13/83/523371383.db2.gz KSLIDERMDXJOIU-UHFFFAOYSA-N 0 0 420.534 5.200 50 0 HKAARN CCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(CC)cc1 ZINC000045943974 520689025 /nfs/dbraw/zinc/68/90/25/520689025.db2.gz NNKGQDYOVQFRHD-UHFFFAOYSA-N 0 0 422.981 6.862 50 0 HKAARN CCCCNC(=O)c1sc2c(cnc3ccc(F)cc23)c1-c1ccc(CC)cc1 ZINC000045943998 520688791 /nfs/dbraw/zinc/68/87/91/520688791.db2.gz UJRMKJYPMRHZGO-UHFFFAOYSA-N 0 0 406.526 6.348 50 0 HKAARN CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NCCOC)cc1 ZINC000045944002 523852956 /nfs/dbraw/zinc/85/29/56/523852956.db2.gz VLFRXNTVKRZOPW-UHFFFAOYSA-N 0 0 408.498 5.194 50 0 HKAARN CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NCCC(C)C)cc1 ZINC000045944009 523852895 /nfs/dbraw/zinc/85/28/95/523852895.db2.gz BGPBZZLGIYTMAF-UHFFFAOYSA-N 0 0 420.553 6.594 50 0 HKAARN CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NCCCOC)cc1 ZINC000045944011 523853132 /nfs/dbraw/zinc/85/31/32/523853132.db2.gz LVBLCLWOTJGAFD-UHFFFAOYSA-N 0 0 422.525 5.584 50 0 HKAARN COc1ccc2ncc3c(sc(C(=O)NCCC(C)C)c3-c3ccccc3)c2c1 ZINC000045944030 525681993 /nfs/dbraw/zinc/68/19/93/525681993.db2.gz QGSXIAUCJHSQNY-UHFFFAOYSA-N 0 0 404.535 5.901 50 0 HKAARN O=C(OCc1ccccc1)c1nc2ccccc2nc1NCc1ccccc1Cl ZINC000045960953 526426795 /nfs/dbraw/zinc/42/67/95/526426795.db2.gz PMHSKSMTTMCKTB-UHFFFAOYSA-N 0 0 403.869 5.252 50 0 HKAARN Fc1cccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)c1 ZINC000045961026 526396208 /nfs/dbraw/zinc/39/62/08/526396208.db2.gz ZRGDUPABMPWBII-UHFFFAOYSA-N 0 0 407.880 5.130 50 0 HKAARN Clc1ccc(Cc2nc3nc4c(c(Nc5ccc(Cl)cc5)n3n2)CCC4)cc1 ZINC000045961046 526953531 /nfs/dbraw/zinc/95/35/31/526953531.db2.gz IQUGITWOMCDYOP-UHFFFAOYSA-N 0 0 410.308 5.254 50 0 HKAARN Clc1ccc(Cc2nc3nc4c(c(Nc5cccc(Cl)c5)n3n2)CCC4)cc1 ZINC000045961048 526952887 /nfs/dbraw/zinc/95/28/87/526952887.db2.gz FPYBCNVZHIBTQY-UHFFFAOYSA-N 0 0 410.308 5.254 50 0 HKAARN COc1nc2ccccc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000045967067 524989954 /nfs/dbraw/zinc/98/99/54/524989954.db2.gz JVFIIOKKHIASQX-UHFFFAOYSA-N 0 0 405.841 5.336 50 0 HKAARN CCOc1nc2ccccc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000045967153 521607280 /nfs/dbraw/zinc/60/72/80/521607280.db2.gz UIVOGJGFSULCRY-UHFFFAOYSA-N 0 0 419.868 5.727 50 0 HKAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045967330 524990641 /nfs/dbraw/zinc/99/06/41/524990641.db2.gz HOVMMQAHIIGHHN-UHFFFAOYSA-N 0 0 409.795 5.180 50 0 HKAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045967390 521607089 /nfs/dbraw/zinc/60/70/89/521607089.db2.gz GPGLSGMLYONZAS-UHFFFAOYSA-N 0 0 423.822 5.570 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000045967396 520495823 /nfs/dbraw/zinc/49/58/23/520495823.db2.gz IXZZOYQQKULGSD-UHFFFAOYSA-N 0 0 413.905 5.258 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1C(F)(F)F ZINC000045967416 520495259 /nfs/dbraw/zinc/49/52/59/520495259.db2.gz YBYOBUDRNOXDPP-UHFFFAOYSA-N 0 0 403.404 5.307 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1Br ZINC000045967418 520495244 /nfs/dbraw/zinc/49/52/44/520495244.db2.gz VCTRSKBIFIVRKZ-UHFFFAOYSA-N 0 0 414.303 5.050 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Br)cc1 ZINC000045967444 520495607 /nfs/dbraw/zinc/49/56/07/520495607.db2.gz CRDMTROSCAXJKD-UHFFFAOYSA-N 0 0 414.303 5.050 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(OCC)ccc1OCC ZINC000045967453 520495744 /nfs/dbraw/zinc/49/57/44/520495744.db2.gz MIJHYXJFBQCXBE-UHFFFAOYSA-N 0 0 423.513 5.085 50 0 HKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000045967457 520495860 /nfs/dbraw/zinc/49/58/60/520495860.db2.gz ZNAFFVQVVNCMKB-UHFFFAOYSA-N 0 0 419.403 5.186 50 0 HKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3C(F)(F)F)nc2cc1C ZINC000045967465 525677455 /nfs/dbraw/zinc/67/74/55/525677455.db2.gz MXHPSOYOODOCNG-UHFFFAOYSA-N 0 0 403.404 5.305 50 0 HKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(Br)cc3)nc2cc1C ZINC000045967472 525678077 /nfs/dbraw/zinc/67/80/77/525678077.db2.gz AGICNBJDJPRBHA-UHFFFAOYSA-N 0 0 414.303 5.049 50 0 HKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)nc2cc1C ZINC000045967478 525676714 /nfs/dbraw/zinc/67/67/14/525676714.db2.gz YXOWGKFNRSFHTC-UHFFFAOYSA-N 0 0 419.403 5.185 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000045974015 568422784 /nfs/dbraw/zinc/42/27/84/568422784.db2.gz NUXLHUFCVBQMLO-MRXNPFEDSA-N 0 0 414.449 5.161 50 0 HKAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000045974017 568422855 /nfs/dbraw/zinc/42/28/55/568422855.db2.gz NUXLHUFCVBQMLO-INIZCTEOSA-N 0 0 414.449 5.161 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccccc3Cl)cc(C)c12 ZINC000045990781 527524338 /nfs/dbraw/zinc/52/43/38/527524338.db2.gz LAISWTOVQGSXRZ-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3cccc(Cl)c3)cc(C)c12 ZINC000045990784 527524027 /nfs/dbraw/zinc/52/40/27/527524027.db2.gz SPDXHMFHYNDDLN-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccc(Cl)cc3)cc(C)c12 ZINC000045990786 527524437 /nfs/dbraw/zinc/52/44/37/527524437.db2.gz MJGSJBWDTKUCQH-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc(C)c12 ZINC000045991656 527555981 /nfs/dbraw/zinc/55/59/81/527555981.db2.gz LNXWHEYXFGGVDV-INIZCTEOSA-N 0 0 420.900 5.097 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3cccc(Cl)c3)cc(C)c12 ZINC000045991659 527555769 /nfs/dbraw/zinc/55/57/69/527555769.db2.gz LNXWHEYXFGGVDV-MRXNPFEDSA-N 0 0 420.900 5.097 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c12 ZINC000045991661 527556380 /nfs/dbraw/zinc/55/63/80/527556380.db2.gz CSJUTRSIPYVPEF-INIZCTEOSA-N 0 0 420.900 5.097 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc(C)c12 ZINC000045991664 527556024 /nfs/dbraw/zinc/55/60/24/527556024.db2.gz CSJUTRSIPYVPEF-MRXNPFEDSA-N 0 0 420.900 5.097 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c12 ZINC000045991689 527556446 /nfs/dbraw/zinc/55/64/46/527556446.db2.gz LEFHDLQOIJRKNN-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3cccc(C)c3C)cc(C)c12 ZINC000045991691 527556183 /nfs/dbraw/zinc/55/61/83/527556183.db2.gz LEFHDLQOIJRKNN-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c12 ZINC000045991693 527556587 /nfs/dbraw/zinc/55/65/87/527556587.db2.gz OMGACWZZIXDCMO-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3c(C)cccc3C)cc(C)c12 ZINC000045991695 527555778 /nfs/dbraw/zinc/55/57/78/527555778.db2.gz OMGACWZZIXDCMO-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(C)nn(-c3ccccc3)c2n1 ZINC000045991698 521899965 /nfs/dbraw/zinc/89/99/65/521899965.db2.gz KTJJWCSMDHERMV-GOSISDBHSA-N 0 0 414.509 5.006 50 0 HKAARN CCc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(C)nn(-c3ccccc3)c2n1 ZINC000045991701 521904502 /nfs/dbraw/zinc/90/45/02/521904502.db2.gz KTJJWCSMDHERMV-SFHVURJKSA-N 0 0 414.509 5.006 50 0 HKAARN CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000045991704 523988387 /nfs/dbraw/zinc/98/83/87/523988387.db2.gz JNNALQIDJJRHGX-GOSISDBHSA-N 0 0 414.509 5.006 50 0 HKAARN CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000045991707 523989886 /nfs/dbraw/zinc/98/98/86/523989886.db2.gz JNNALQIDJJRHGX-SFHVURJKSA-N 0 0 414.509 5.006 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3cc(C)ccc3C)cc(C)c12 ZINC000045991756 527556389 /nfs/dbraw/zinc/55/63/89/527556389.db2.gz XCAKTLNLNAGPKI-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3cc(C)ccc3C)cc(C)c12 ZINC000045991758 527556206 /nfs/dbraw/zinc/55/62/06/527556206.db2.gz XCAKTLNLNAGPKI-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3ccc(C)cc3C)cc(C)c12 ZINC000045991761 527555877 /nfs/dbraw/zinc/55/58/77/527555877.db2.gz GMWWNTHZBHVPAH-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3ccc(C)cc3C)cc(C)c12 ZINC000045991764 527556361 /nfs/dbraw/zinc/55/63/61/527556361.db2.gz GMWWNTHZBHVPAH-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3ccc(C)c(C)c3)cc(C)c12 ZINC000045991778 527556797 /nfs/dbraw/zinc/55/67/97/527556797.db2.gz QYXQTEKIHGSHEP-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3ccc(C)c(C)c3)cc(C)c12 ZINC000045991781 527556402 /nfs/dbraw/zinc/55/64/02/527556402.db2.gz QYXQTEKIHGSHEP-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)Nc3cc(C)cc(C)c3)cc(C)c12 ZINC000045991789 527556048 /nfs/dbraw/zinc/55/60/48/527556048.db2.gz UNEMXXYYPCBIAH-LJQANCHMSA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)cc(C)c12 ZINC000045991792 527556282 /nfs/dbraw/zinc/55/62/82/527556282.db2.gz UNEMXXYYPCBIAH-IBGZPJMESA-N 0 0 414.509 5.060 50 0 HKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc(-c3ccccc3)c12 ZINC000045991894 527684849 /nfs/dbraw/zinc/68/48/49/527684849.db2.gz KZEWVBJHXUPBAV-HNNXBMFYSA-N 0 0 420.900 5.003 50 0 HKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3cccc(Cl)c3)cc(-c3ccccc3)c12 ZINC000045991897 527684475 /nfs/dbraw/zinc/68/44/75/527684475.db2.gz KZEWVBJHXUPBAV-OAHLLOKOSA-N 0 0 420.900 5.003 50 0 HKAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)c12 ZINC000045991900 527684270 /nfs/dbraw/zinc/68/42/70/527684270.db2.gz WCPMHNOWUGZOJB-HNNXBMFYSA-N 0 0 420.900 5.003 50 0 HKAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)c12 ZINC000045991903 527684819 /nfs/dbraw/zinc/68/48/19/527684819.db2.gz WCPMHNOWUGZOJB-OAHLLOKOSA-N 0 0 420.900 5.003 50 0 HKAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1ccccc1C)cc2-c1ccccc1 ZINC000045992318 523670891 /nfs/dbraw/zinc/67/08/91/523670891.db2.gz TYRAYRNGCIHCES-SFHVURJKSA-N 0 0 414.509 5.141 50 0 HKAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1ccccc1C)cc2-c1ccccc1 ZINC000045992321 523670964 /nfs/dbraw/zinc/67/09/64/523670964.db2.gz TYRAYRNGCIHCES-GOSISDBHSA-N 0 0 414.509 5.141 50 0 HKAARN Cc1nn(C)c2nc(OCc3nc(-c4ccccc4C)oc3C)cc(-c3ccccc3)c12 ZINC000045995145 527683954 /nfs/dbraw/zinc/68/39/54/527683954.db2.gz FQTKLYPPOIQPBW-UHFFFAOYSA-N 0 0 424.504 5.795 50 0 HKAARN Cc1nn(C)c2nc(OCc3nc(-c4cccc(C)c4)oc3C)cc(-c3ccccc3)c12 ZINC000045995151 527684278 /nfs/dbraw/zinc/68/42/78/527684278.db2.gz CFHJYMWBZJVJTP-UHFFFAOYSA-N 0 0 424.504 5.795 50 0 HKAARN Cc1nn(C)c2nc(OCc3nc(-c4ccc(C)cc4)oc3C)cc(-c3ccccc3)c12 ZINC000045995169 527684089 /nfs/dbraw/zinc/68/40/89/527684089.db2.gz JHZYXAJVQLJBEG-UHFFFAOYSA-N 0 0 424.504 5.795 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4ccccc4C)oc3C)cc(C)c12 ZINC000045995239 527556312 /nfs/dbraw/zinc/55/63/12/527556312.db2.gz JKLXFCKGEYOHRJ-UHFFFAOYSA-N 0 0 424.504 5.888 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4cccc(C)c4)oc3C)cc(C)c12 ZINC000045995244 527556514 /nfs/dbraw/zinc/55/65/14/527556514.db2.gz WIDRNVNCUIOEIZ-UHFFFAOYSA-N 0 0 424.504 5.888 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4ccc(C)cc4)oc3C)cc(C)c12 ZINC000045995265 527556506 /nfs/dbraw/zinc/55/65/06/527556506.db2.gz VWWNDGXXDZQPSN-UHFFFAOYSA-N 0 0 424.504 5.888 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCc3nc(-c4cccs4)oc3C)cc(C)c12 ZINC000045995268 527556686 /nfs/dbraw/zinc/55/66/86/527556686.db2.gz XXZZBTCKRLXUAF-UHFFFAOYSA-N 0 0 416.506 5.641 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3c(C)n(C)c4ccccc43)cc(C)c12 ZINC000045995297 527556035 /nfs/dbraw/zinc/55/60/35/527556035.db2.gz CQBAXTWWRDIYMG-UHFFFAOYSA-N 0 0 424.504 5.099 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCc3cccc(Br)c3)cc(C)c12 ZINC000045995330 568423190 /nfs/dbraw/zinc/42/31/90/568423190.db2.gz AXBGDWBQBSHBKI-UHFFFAOYSA-N 0 0 408.299 5.379 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cccc(F)c3)cc(C(F)(F)F)c12 ZINC000045995401 568423207 /nfs/dbraw/zinc/42/32/07/568423207.db2.gz XONPGJNRIBOVFB-UHFFFAOYSA-N 0 0 415.390 5.774 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccccc3F)cc(C(F)(F)F)c12 ZINC000045995402 568423187 /nfs/dbraw/zinc/42/31/87/568423187.db2.gz LNDCFVICEBDUFY-UHFFFAOYSA-N 0 0 415.390 5.774 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000045995407 568423176 /nfs/dbraw/zinc/42/31/76/568423176.db2.gz CEOVWKCEHWBINP-UHFFFAOYSA-N 0 0 415.390 5.774 50 0 HKAARN C=Cc1ccc(COc2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000045995413 568423218 /nfs/dbraw/zinc/42/32/18/568423218.db2.gz ALFQWNHTDZCZNI-UHFFFAOYSA-N 0 0 423.438 6.278 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cccc(C(F)(F)F)c3)cc(C)c12 ZINC000045995471 568423183 /nfs/dbraw/zinc/42/31/83/568423183.db2.gz OEHZBPQKICOLIE-UHFFFAOYSA-N 0 0 411.427 5.944 50 0 HKAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cccc(Br)c3)cc(C)c12 ZINC000045995547 568423177 /nfs/dbraw/zinc/42/31/77/568423177.db2.gz KEHFSANIHNUNGK-UHFFFAOYSA-N 0 0 422.326 5.687 50 0 HKAARN CCc1ccc(-n2nc(C)c3c2nc(OCc2ncc(C)c(OC)c2C)cc3C)cc1 ZINC000045995631 568423219 /nfs/dbraw/zinc/42/32/19/568423219.db2.gz PWRVWUCUMFOLSW-UHFFFAOYSA-N 0 0 416.525 5.199 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3cc(C)ccc3C)cc(C)c12 ZINC000045995653 568423199 /nfs/dbraw/zinc/42/31/99/568423199.db2.gz RZFFYYDEJNMFOR-UHFFFAOYSA-N 0 0 405.929 6.195 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCCOc3ccccc3)cc(C)c12 ZINC000045995681 568423217 /nfs/dbraw/zinc/42/32/17/568423217.db2.gz LIOUMHROHQPCMI-UHFFFAOYSA-N 0 0 407.901 5.457 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccc4nonc4c3)cc(C)c12 ZINC000045995683 568423208 /nfs/dbraw/zinc/42/32/08/568423208.db2.gz SEPHCKBAPBWKEL-UHFFFAOYSA-N 0 0 419.872 5.114 50 0 HKAARN COc1ccc(Cl)cc1C(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000046004846 568423597 /nfs/dbraw/zinc/42/35/97/568423597.db2.gz SBXWSFVFUKPGJJ-UHFFFAOYSA-N 0 0 412.873 5.062 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000046004878 568423599 /nfs/dbraw/zinc/42/35/99/568423599.db2.gz SWJGQIRWNKVAPR-UHFFFAOYSA-N 0 0 414.461 5.056 50 0 HKAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1cccc(Cl)c1 ZINC000046004883 568423614 /nfs/dbraw/zinc/42/36/14/568423614.db2.gz IMWVGKPBZVJJEQ-UHFFFAOYSA-N 0 0 404.853 5.311 50 0 HKAARN O=C(Cc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000046004893 568423602 /nfs/dbraw/zinc/42/36/02/568423602.db2.gz DVFAURXCQSPZKJ-UHFFFAOYSA-N 0 0 418.880 5.240 50 0 HKAARN O=C(CCc1ccccc1)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000046004910 568423623 /nfs/dbraw/zinc/42/36/23/568423623.db2.gz KKLSSERQYWFPGB-UHFFFAOYSA-N 0 0 404.510 5.357 50 0 HKAARN CCOc1ccccc1C(=O)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000046004917 568423628 /nfs/dbraw/zinc/42/36/28/568423628.db2.gz RYDJDPPLPJCBFX-UHFFFAOYSA-N 0 0 420.509 5.436 50 0 HKAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)cc1 ZINC000046004924 568423612 /nfs/dbraw/zinc/42/36/12/568423612.db2.gz YBCSRYPJXVJVMB-UHFFFAOYSA-N 0 0 406.482 5.046 50 0 HKAARN COc1cccc(C(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)c1 ZINC000046004937 568423593 /nfs/dbraw/zinc/42/35/93/568423593.db2.gz KMHKQVZTVLAJNA-UHFFFAOYSA-N 0 0 406.482 5.046 50 0 HKAARN Cc1ccccc1OCC(=O)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000046004945 568423635 /nfs/dbraw/zinc/42/36/35/568423635.db2.gz JPNRHDYZHNYWRP-UHFFFAOYSA-N 0 0 420.509 5.111 50 0 HKAARN O=C(Cc1cccc(F)c1)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000046004957 568423610 /nfs/dbraw/zinc/42/36/10/568423610.db2.gz WPBHLTPYSMOTLR-UHFFFAOYSA-N 0 0 408.473 5.106 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000046004994 568423600 /nfs/dbraw/zinc/42/36/00/568423600.db2.gz MZGRRLMZSQPECT-UHFFFAOYSA-N 0 0 408.473 5.106 50 0 HKAARN Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1C ZINC000046005283 558838626 /nfs/dbraw/zinc/83/86/26/558838626.db2.gz SGPOZTKANJXIGA-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1 ZINC000046006025 558838794 /nfs/dbraw/zinc/83/87/94/558838794.db2.gz KFLOQMCZWDBILE-UHFFFAOYSA-N 0 0 414.509 5.007 50 0 HKAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1NC(=O)OC(C)(C)C ZINC000046008379 568423607 /nfs/dbraw/zinc/42/36/07/568423607.db2.gz ASAVLKQFAJULCZ-QGZVFWFLSA-N 0 0 417.531 5.473 50 0 HKAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1NC(=O)OC(C)(C)C ZINC000046008381 568423596 /nfs/dbraw/zinc/42/35/96/568423596.db2.gz ASAVLKQFAJULCZ-KRWDZBQOSA-N 0 0 417.531 5.473 50 0 HKAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000046009239 568423616 /nfs/dbraw/zinc/42/36/16/568423616.db2.gz YEGSRDWMMIDYKZ-UHFFFAOYSA-N 0 0 423.563 5.818 50 0 HKAARN Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000046011604 568423323 /nfs/dbraw/zinc/42/33/23/568423323.db2.gz JZAYZPLJTGDPFG-LJQANCHMSA-N 0 0 413.474 5.410 50 0 HKAARN Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000046011605 568423338 /nfs/dbraw/zinc/42/33/38/568423338.db2.gz JZAYZPLJTGDPFG-IBGZPJMESA-N 0 0 413.474 5.410 50 0 HKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1Cl ZINC000046012012 568423333 /nfs/dbraw/zinc/42/33/33/568423333.db2.gz PANMQKUBEJTONW-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2cccc(Cl)c2)n1 ZINC000046012020 568423308 /nfs/dbraw/zinc/42/33/08/568423308.db2.gz PIXAWIOXEGLWMN-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c(C)c1 ZINC000046012022 568423330 /nfs/dbraw/zinc/42/33/30/568423330.db2.gz VIYGQPKUUFUWQW-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 ZINC000046012037 568423254 /nfs/dbraw/zinc/42/32/54/568423254.db2.gz JPLLAXUQKLDKGA-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN CCN(C(=O)COc1ccccc1-c1nc(-c2ccccc2C)no1)c1ccccc1 ZINC000046012040 568423243 /nfs/dbraw/zinc/42/32/43/568423243.db2.gz VURGPWWHOIHBFC-UHFFFAOYSA-N 0 0 413.477 5.144 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)c1 ZINC000046012043 568423253 /nfs/dbraw/zinc/42/32/53/568423253.db2.gz SKOWQNOZYKWVCG-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000046012046 568423251 /nfs/dbraw/zinc/42/32/51/568423251.db2.gz AXNQSOLAXLGLAE-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000046012050 568423304 /nfs/dbraw/zinc/42/33/04/568423304.db2.gz SADBAKLZADTYSW-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3C)n2)c1 ZINC000046012076 568423238 /nfs/dbraw/zinc/42/32/38/568423238.db2.gz LBCXNVLGFJPTAM-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)c1 ZINC000046012079 568423355 /nfs/dbraw/zinc/42/33/55/568423355.db2.gz RPHXKUFSNWPVRW-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000046012082 568423356 /nfs/dbraw/zinc/42/33/56/568423356.db2.gz XVIKJLHQPBBUQK-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000046012085 568423407 /nfs/dbraw/zinc/42/34/07/568423407.db2.gz OAWZAWRLSLPRNW-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)n2)c1 ZINC000046012109 568423357 /nfs/dbraw/zinc/42/33/57/568423357.db2.gz DVBNJFQRTWUFPK-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000046012130 568423438 /nfs/dbraw/zinc/42/34/38/568423438.db2.gz NYBHTFFOYNBTBY-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000046012133 568423398 /nfs/dbraw/zinc/42/33/98/568423398.db2.gz QYQDUDHLEAWIHN-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000046012136 568423365 /nfs/dbraw/zinc/42/33/65/568423365.db2.gz SQLXITLAYGBZEY-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000046012154 568423382 /nfs/dbraw/zinc/42/33/82/568423382.db2.gz OHVPJRPUJBFZIR-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000046012157 568423417 /nfs/dbraw/zinc/42/34/17/568423417.db2.gz CTXLKRPDFSWOOG-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000046012160 568423374 /nfs/dbraw/zinc/42/33/74/568423374.db2.gz YLJJOLPXPDYQPZ-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000046012162 568423360 /nfs/dbraw/zinc/42/33/60/568423360.db2.gz KPNGTYAGXHQIKH-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000046012189 568423393 /nfs/dbraw/zinc/42/33/93/568423393.db2.gz LUFSETJTRPTGQR-UHFFFAOYSA-N 0 0 413.477 5.346 50 0 HKAARN CCN(C(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000046012192 568423395 /nfs/dbraw/zinc/42/33/95/568423395.db2.gz ULRCQPMRPHPIRI-UHFFFAOYSA-N 0 0 413.477 5.144 50 0 HKAARN O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccccc1F ZINC000046012298 568423363 /nfs/dbraw/zinc/42/33/63/568423363.db2.gz LBPOACCOCHXUJH-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1 ZINC000046012301 568423409 /nfs/dbraw/zinc/42/34/09/568423409.db2.gz FVNFJSBDMOVEGN-UHFFFAOYSA-N 0 0 423.831 5.214 50 0 HKAARN O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccccc1 ZINC000046012307 568423389 /nfs/dbraw/zinc/42/33/89/568423389.db2.gz IICJHHZROFWCKV-UHFFFAOYSA-N 0 0 405.841 5.075 50 0 HKAARN Cc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000046012310 568423425 /nfs/dbraw/zinc/42/34/25/568423425.db2.gz QOYWJVUNBQSYST-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)c1 ZINC000046012313 568423380 /nfs/dbraw/zinc/42/33/80/568423380.db2.gz ISHXLMLMMZPILL-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000046012316 568423420 /nfs/dbraw/zinc/42/34/20/568423420.db2.gz MUERKNPITRMYTM-UHFFFAOYSA-N 0 0 419.868 5.383 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000046012548 568423517 /nfs/dbraw/zinc/42/35/17/568423517.db2.gz FUEMYFZYUZLQTO-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000046012562 568423513 /nfs/dbraw/zinc/42/35/13/568423513.db2.gz NDJRPFBMSFHPJP-UHFFFAOYSA-N 0 0 416.868 5.043 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000046012565 568423489 /nfs/dbraw/zinc/42/34/89/568423489.db2.gz NYHLGGZFTCCPAC-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)cc1 ZINC000046012578 568423518 /nfs/dbraw/zinc/42/35/18/568423518.db2.gz SAIMNKHTKDFABJ-UHFFFAOYSA-N 0 0 422.410 5.514 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000046012585 568423490 /nfs/dbraw/zinc/42/34/90/568423490.db2.gz IBHNIBXSKXUHKO-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1cccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)c1 ZINC000046012590 568423509 /nfs/dbraw/zinc/42/35/09/568423509.db2.gz DHOTYILDFCPJAV-UHFFFAOYSA-N 0 0 422.410 5.514 50 0 HKAARN Cc1ccccc1-n1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000046012641 568423496 /nfs/dbraw/zinc/42/34/96/568423496.db2.gz BTGIXQBUCPYKEM-UHFFFAOYSA-N 0 0 422.410 5.514 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 ZINC000046012685 568423488 /nfs/dbraw/zinc/42/34/88/568423488.db2.gz BRYWUSKZMRMFDE-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 ZINC000046012686 568423500 /nfs/dbraw/zinc/42/35/00/568423500.db2.gz ARPKBXNAXUVFQA-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1Cl ZINC000046012693 568423521 /nfs/dbraw/zinc/42/35/21/568423521.db2.gz SREQWXMVUYKHNC-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 ZINC000046012695 568423492 /nfs/dbraw/zinc/42/34/92/568423492.db2.gz BTALEVKZDVTADC-UHFFFAOYSA-N 0 0 402.885 5.457 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3cccc(Cl)c3C)cc(C)c12 ZINC000046016738 568424391 /nfs/dbraw/zinc/42/43/91/568424391.db2.gz YGHSJQMEEQPOKO-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccc(C(C)C)cc3)cc(C)c12 ZINC000046016825 568423611 /nfs/dbraw/zinc/42/36/11/568423611.db2.gz XYUMZRRKTDUTMP-UHFFFAOYSA-N 0 0 414.509 5.178 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc(C)c12 ZINC000046016882 568423640 /nfs/dbraw/zinc/42/36/40/568423640.db2.gz XUMYNTUVWLUVPT-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3cc(Cl)ccc3C)cc(C)c12 ZINC000046016918 568423627 /nfs/dbraw/zinc/42/36/27/568423627.db2.gz ARXSEOVDNNCWRH-UHFFFAOYSA-N 0 0 420.900 5.017 50 0 HKAARN CCCc1cc(Nc2ccc(Br)c(C)c2)n2nc(-c3ccco3)nc2n1 ZINC000046017825 568423711 /nfs/dbraw/zinc/42/37/11/568423711.db2.gz CVYNUKFAQLABSM-UHFFFAOYSA-N 0 0 412.291 5.151 50 0 HKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)NCc1ccccc1 ZINC000046022208 568424104 /nfs/dbraw/zinc/42/41/04/568424104.db2.gz ZJQKNFQQCQWNTI-UHFFFAOYSA-N 0 0 411.596 5.049 50 0 HKAARN CCc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022259 568424101 /nfs/dbraw/zinc/42/41/01/568424101.db2.gz GWCHXPJFSLLAKB-UHFFFAOYSA-N 0 0 411.596 5.544 50 0 HKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccccc1Cl ZINC000046022263 568424081 /nfs/dbraw/zinc/42/40/81/568424081.db2.gz QAPLMWDPJMQBCF-UHFFFAOYSA-N 0 0 403.960 5.245 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccccc1Cl ZINC000046022265 568424075 /nfs/dbraw/zinc/42/40/75/568424075.db2.gz NBNHICNXSVFJGE-UHFFFAOYSA-N 0 0 417.987 5.635 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)cc1 ZINC000046022274 568424119 /nfs/dbraw/zinc/42/41/19/568424119.db2.gz HFRQBUOZHPLUHY-UHFFFAOYSA-N 0 0 411.596 5.680 50 0 HKAARN CC1(C)N=C(SCC(=O)Nc2ccccc2C(F)(F)F)C(c2cccs2)=N1 ZINC000046022281 568424086 /nfs/dbraw/zinc/42/40/86/568424086.db2.gz QJHMYBBLFYTURX-UHFFFAOYSA-N 0 0 411.474 5.076 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1Cl ZINC000046022289 568424188 /nfs/dbraw/zinc/42/41/88/568424188.db2.gz IBFCVIKYQRZDQS-UHFFFAOYSA-N 0 0 417.987 5.553 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1C ZINC000046022304 568424192 /nfs/dbraw/zinc/42/41/92/568424192.db2.gz QPRITNVOVXMFAM-UHFFFAOYSA-N 0 0 411.596 5.598 50 0 HKAARN CCc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022313 568424168 /nfs/dbraw/zinc/42/41/68/568424168.db2.gz AFHFOYPZNIKSQU-UHFFFAOYSA-N 0 0 411.596 5.544 50 0 HKAARN CC(C)c1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1 ZINC000046022318 568424223 /nfs/dbraw/zinc/42/42/23/568424223.db2.gz GOEKTCIXHXBMAM-UHFFFAOYSA-N 0 0 411.596 5.715 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1 ZINC000046022333 568424172 /nfs/dbraw/zinc/42/41/72/568424172.db2.gz LFRZBVULSDJJJQ-UHFFFAOYSA-N 0 0 401.532 5.121 50 0 HKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1 ZINC000046022335 568424175 /nfs/dbraw/zinc/42/41/75/568424175.db2.gz UPYTXIATWCDYHF-UHFFFAOYSA-N 0 0 415.559 5.511 50 0 HKAARN Cc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 ZINC000046022347 568424170 /nfs/dbraw/zinc/42/41/70/568424170.db2.gz VBPJZTHKPBCVFI-UHFFFAOYSA-N 0 0 411.596 5.680 50 0 HKAARN Cc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 ZINC000046022353 568424186 /nfs/dbraw/zinc/42/41/86/568424186.db2.gz JBGIITZQSDAFKW-UHFFFAOYSA-N 0 0 411.596 5.680 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccccc1F ZINC000046022358 568424194 /nfs/dbraw/zinc/42/41/94/568424194.db2.gz HXMUCPXLGGTILK-UHFFFAOYSA-N 0 0 401.532 5.121 50 0 HKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1ccccc1F ZINC000046022360 568424227 /nfs/dbraw/zinc/42/42/27/568424227.db2.gz SPRLFOZAXZGZBY-UHFFFAOYSA-N 0 0 415.559 5.511 50 0 HKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1cccc(Cl)c1 ZINC000046022364 568424196 /nfs/dbraw/zinc/42/41/96/568424196.db2.gz BSOSSUFPAJFOOS-UHFFFAOYSA-N 0 0 403.960 5.245 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1cccc(Cl)c1 ZINC000046022366 568424206 /nfs/dbraw/zinc/42/42/06/568424206.db2.gz DPUQNOMZSPCNJT-UHFFFAOYSA-N 0 0 417.987 5.635 50 0 HKAARN Cc1cc(C)c(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c(C)c1 ZINC000046022382 568424221 /nfs/dbraw/zinc/42/42/21/568424221.db2.gz OUSOHZDYYZNWMT-UHFFFAOYSA-N 0 0 411.596 5.517 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c(Cl)c1 ZINC000046022395 568424210 /nfs/dbraw/zinc/42/42/10/568424210.db2.gz HDXJDMQMKMOAEV-UHFFFAOYSA-N 0 0 417.987 5.553 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022404 568424232 /nfs/dbraw/zinc/42/42/32/568424232.db2.gz MAIRASDBKOCRMR-UHFFFAOYSA-N 0 0 411.596 5.598 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1F ZINC000046022410 568424165 /nfs/dbraw/zinc/42/41/65/568424165.db2.gz ZDBQYUABYUZGMZ-UHFFFAOYSA-N 0 0 419.522 5.260 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1F ZINC000046022422 568424214 /nfs/dbraw/zinc/42/42/14/568424214.db2.gz KNBOFRBCILWHSV-UHFFFAOYSA-N 0 0 415.559 5.429 50 0 HKAARN CCc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022427 568424224 /nfs/dbraw/zinc/42/42/24/568424224.db2.gz UMEDHQLJDOMYAX-UHFFFAOYSA-N 0 0 411.596 5.544 50 0 HKAARN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022439 568424226 /nfs/dbraw/zinc/42/42/26/568424226.db2.gz PZUSDAUXCJQHBN-UHFFFAOYSA-N 0 0 411.596 5.598 50 0 HKAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1 ZINC000046022443 568424161 /nfs/dbraw/zinc/42/41/61/568424161.db2.gz RRHDFQVKWCDKPS-UHFFFAOYSA-N 0 0 403.960 5.245 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1 ZINC000046022445 568424200 /nfs/dbraw/zinc/42/42/00/568424200.db2.gz YTEKYPNRYWSFDI-UHFFFAOYSA-N 0 0 417.987 5.635 50 0 HKAARN CSc1cccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c1 ZINC000046022449 568424204 /nfs/dbraw/zinc/42/42/04/568424204.db2.gz CSIUDVAMNJHELW-UHFFFAOYSA-N 0 0 415.609 5.313 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022458 568424234 /nfs/dbraw/zinc/42/42/34/568424234.db2.gz LIDGXXKSFNSDHI-UHFFFAOYSA-N 0 0 411.596 5.598 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1cc(F)ccc1F ZINC000046022489 568424216 /nfs/dbraw/zinc/42/42/16/568424216.db2.gz OKIPUSLECQJHDJ-UHFFFAOYSA-N 0 0 419.522 5.260 50 0 HKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)c(F)c1 ZINC000046022495 568424222 /nfs/dbraw/zinc/42/42/22/568424222.db2.gz KXVPZGOBVZKXKO-UHFFFAOYSA-N 0 0 419.522 5.260 50 0 HKAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)NC1CCCCC1 ZINC000046022523 568424231 /nfs/dbraw/zinc/42/42/31/568424231.db2.gz BEQKKKAKRXQWGC-UHFFFAOYSA-N 0 0 403.617 5.182 50 0 HKAARN Cc1cc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCC3)ccc1Br ZINC000046022629 568424158 /nfs/dbraw/zinc/42/41/58/568424158.db2.gz RWFRJOQFAQQNKU-UHFFFAOYSA-N 0 0 420.314 5.095 50 0 HKAARN FC(F)(F)c1cc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCC3)ccc1Cl ZINC000046022741 568424225 /nfs/dbraw/zinc/42/42/25/568424225.db2.gz RAEQPHSUAHPECH-UHFFFAOYSA-N 0 0 419.794 5.289 50 0 HKAARN COc1cc(Cl)c(C)cc1Nc1c2c(nc3nc(-c4ccccc4)nn31)CCCC2 ZINC000046022753 568424162 /nfs/dbraw/zinc/42/41/62/568424162.db2.gz UKSJSJBJGNSULM-UHFFFAOYSA-N 0 0 419.916 5.384 50 0 HKAARN COc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1Cl ZINC000046022771 568424336 /nfs/dbraw/zinc/42/43/36/568424336.db2.gz CNMXIAQUMVKBOX-UHFFFAOYSA-N 0 0 405.889 5.076 50 0 HKAARN c1ccc(CC2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)cc1 ZINC000046022781 568424323 /nfs/dbraw/zinc/42/43/23/568424323.db2.gz XEKFGOYHGRLVLG-UHFFFAOYSA-N 0 0 423.564 5.129 50 0 HKAARN FC(F)(F)c1cccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)c1 ZINC000046022798 568424331 /nfs/dbraw/zinc/42/43/31/568424331.db2.gz LZORGGJYGHFEEW-UHFFFAOYSA-N 0 0 409.415 5.433 50 0 HKAARN Brc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1 ZINC000046022808 568424302 /nfs/dbraw/zinc/42/43/02/568424302.db2.gz VFENNNVAOIVJID-UHFFFAOYSA-N 0 0 420.314 5.176 50 0 HKAARN Cc1ccc(-c2nc3nc4c(c(Nc5ccc(C)c(Cl)c5)n3n2)CCCC4)cc1 ZINC000046022826 568424298 /nfs/dbraw/zinc/42/42/98/568424298.db2.gz FULQDBHONSKWHX-UHFFFAOYSA-N 0 0 403.917 5.684 50 0 HKAARN COc1ccc(Nc2c3c(nc4nc(-c5ccc(C)cc5)nn42)CCCC3)cc1Cl ZINC000046022830 568424335 /nfs/dbraw/zinc/42/43/35/568424335.db2.gz LKZOXKKNXRGQTJ-UHFFFAOYSA-N 0 0 419.916 5.384 50 0 HKAARN Cc1ccc(-c2nc3nc4c(c(Nc5cccc(C(F)(F)F)c5)n3n2)CCCC4)cc1 ZINC000046022841 568424317 /nfs/dbraw/zinc/42/43/17/568424317.db2.gz GXVUBQOAFCXGBB-UHFFFAOYSA-N 0 0 423.442 5.741 50 0 HKAARN Cc1ccc(-c2nc3nc4c(c(Nc5ccc(F)c(Cl)c5)n3n2)CCCC4)cc1 ZINC000046022847 568424330 /nfs/dbraw/zinc/42/43/30/568424330.db2.gz CWDMMBZQYUIVDY-UHFFFAOYSA-N 0 0 407.880 5.515 50 0 HKAARN Cc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1F ZINC000046022870 568424272 /nfs/dbraw/zinc/42/42/72/568424272.db2.gz JYCHCFIKUYPRAT-UHFFFAOYSA-N 0 0 407.880 5.048 50 0 HKAARN Cc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1C ZINC000046022880 568424258 /nfs/dbraw/zinc/42/42/58/568424258.db2.gz WZPTWKBHGIOZMN-UHFFFAOYSA-N 0 0 403.917 5.218 50 0 HKAARN Cc1cc(C)cc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)c1 ZINC000046022882 568424260 /nfs/dbraw/zinc/42/42/60/568424260.db2.gz BJAAXKQVOZWEGR-UHFFFAOYSA-N 0 0 403.917 5.218 50 0 HKAARN C[C@H](Nc1c2c(nc3nc(Cc4ccc(Cl)cc4)nn31)CCC2)c1ccccc1 ZINC000046022884 568424247 /nfs/dbraw/zinc/42/42/47/568424247.db2.gz JFJXRZRJLJSXSR-HNNXBMFYSA-N 0 0 403.917 5.030 50 0 HKAARN C[C@@H](Nc1c2c(nc3nc(Cc4ccc(Cl)cc4)nn31)CCC2)c1ccccc1 ZINC000046022886 568424282 /nfs/dbraw/zinc/42/42/82/568424282.db2.gz JFJXRZRJLJSXSR-OAHLLOKOSA-N 0 0 403.917 5.030 50 0 HKAARN CCc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1 ZINC000046022904 568424310 /nfs/dbraw/zinc/42/43/10/568424310.db2.gz SBVCZAZTOAEPJR-UHFFFAOYSA-N 0 0 403.917 5.163 50 0 HKAARN CCc1cccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)c1 ZINC000046022916 568424252 /nfs/dbraw/zinc/42/42/52/568424252.db2.gz GVSBVMMNMAIRDD-UHFFFAOYSA-N 0 0 403.917 5.163 50 0 HKAARN Cc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1F ZINC000046022932 568424264 /nfs/dbraw/zinc/42/42/64/568424264.db2.gz GGOINIDNUJTTRV-UHFFFAOYSA-N 0 0 421.907 5.438 50 0 HKAARN Cc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1C ZINC000046022940 568424292 /nfs/dbraw/zinc/42/42/92/568424292.db2.gz SIQOAEYRLRXARJ-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN Fc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1 ZINC000046022944 568424276 /nfs/dbraw/zinc/42/42/76/568424276.db2.gz ZMXJKHDUAMPXSL-UHFFFAOYSA-N 0 0 407.880 5.130 50 0 HKAARN Cc1cc(C)cc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)c1 ZINC000046022946 568424321 /nfs/dbraw/zinc/42/43/21/568424321.db2.gz LSEYEOSTPPLWMF-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN Cc1ccc(CNc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1 ZINC000046022952 568424338 /nfs/dbraw/zinc/42/43/38/568424338.db2.gz BQZNWYFCNMVMLG-UHFFFAOYSA-N 0 0 417.944 5.168 50 0 HKAARN CCc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1 ZINC000046022956 568424280 /nfs/dbraw/zinc/42/42/80/568424280.db2.gz TXPMNHXXYVTSFF-UHFFFAOYSA-N 0 0 417.944 5.553 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)c(Cl)c5)n3n2)CCCC4)cc1 ZINC000046022978 568424300 /nfs/dbraw/zinc/42/43/00/568424300.db2.gz KVWNDBHXJNUONV-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(Cl)cc5)n3n2)CCCC4)cc1 ZINC000046022994 568424315 /nfs/dbraw/zinc/42/43/15/568424315.db2.gz SQAGJTGMNCPCAV-UHFFFAOYSA-N 0 0 403.917 5.299 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cccc(Cl)c5C)n3n2)CCCC4)cc1 ZINC000046022998 568424294 /nfs/dbraw/zinc/42/42/94/568424294.db2.gz YKXIYUVLPWESNY-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cc(Cl)ccc5C)n3n2)CCCC4)cc1 ZINC000046023006 568424308 /nfs/dbraw/zinc/42/43/08/568424308.db2.gz JNXPIXFBCRYZOB-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000046043916 568424891 /nfs/dbraw/zinc/42/48/91/568424891.db2.gz QAZSCUJRZUPJLN-GOSISDBHSA-N 0 0 418.459 5.320 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000046043919 568424878 /nfs/dbraw/zinc/42/48/78/568424878.db2.gz QAZSCUJRZUPJLN-SFHVURJKSA-N 0 0 418.459 5.320 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 ZINC000046043939 568424877 /nfs/dbraw/zinc/42/48/77/568424877.db2.gz ICHHAXBYPLYZSO-OAHLLOKOSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 ZINC000046043942 568424825 /nfs/dbraw/zinc/42/48/25/568424825.db2.gz ICHHAXBYPLYZSO-HNNXBMFYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000046044057 568424899 /nfs/dbraw/zinc/42/48/99/568424899.db2.gz BWRBPNKLVYATHN-OAHLLOKOSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000046044060 568424978 /nfs/dbraw/zinc/42/49/78/568424978.db2.gz BWRBPNKLVYATHN-HNNXBMFYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044063 568425001 /nfs/dbraw/zinc/42/50/01/568425001.db2.gz BWSFUWFDZAETND-OAHLLOKOSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044066 568424992 /nfs/dbraw/zinc/42/49/92/568424992.db2.gz BWSFUWFDZAETND-HNNXBMFYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044069 568424918 /nfs/dbraw/zinc/42/49/18/568424918.db2.gz ZETVQXMTQGYCJG-OAHLLOKOSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044072 568424951 /nfs/dbraw/zinc/42/49/51/568424951.db2.gz ZETVQXMTQGYCJG-HNNXBMFYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044099 568424920 /nfs/dbraw/zinc/42/49/20/568424920.db2.gz DITXQZVHQWSNDR-OAHLLOKOSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044102 568424949 /nfs/dbraw/zinc/42/49/49/568424949.db2.gz DITXQZVHQWSNDR-HNNXBMFYSA-N 0 0 424.850 5.158 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045126 568425028 /nfs/dbraw/zinc/42/50/28/568425028.db2.gz UBAWGEVVQDKZAH-HXUWFJFHSA-N 0 0 420.940 5.221 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045129 568425031 /nfs/dbraw/zinc/42/50/31/568425031.db2.gz UBAWGEVVQDKZAH-FQEVSTJZSA-N 0 0 420.940 5.221 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1Cl ZINC000046045132 568425033 /nfs/dbraw/zinc/42/50/33/568425033.db2.gz OSOVJNIYRTXQPX-HXUWFJFHSA-N 0 0 420.940 5.221 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1Cl ZINC000046045135 568425068 /nfs/dbraw/zinc/42/50/68/568425068.db2.gz OSOVJNIYRTXQPX-FQEVSTJZSA-N 0 0 420.940 5.221 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c(Cl)c1 ZINC000046045155 568425106 /nfs/dbraw/zinc/42/51/06/568425106.db2.gz BRDJWYKYGASTIJ-HXUWFJFHSA-N 0 0 420.940 5.221 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c(Cl)c1 ZINC000046045158 568425110 /nfs/dbraw/zinc/42/51/10/568425110.db2.gz BRDJWYKYGASTIJ-FQEVSTJZSA-N 0 0 420.940 5.221 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045199 568425177 /nfs/dbraw/zinc/42/51/77/568425177.db2.gz UDOWMPKIYKJSIP-HSZRJFAPSA-N 0 0 414.549 5.130 50 0 HKAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045202 568425168 /nfs/dbraw/zinc/42/51/68/568425168.db2.gz UDOWMPKIYKJSIP-QHCPKHFHSA-N 0 0 414.549 5.130 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045226 568425153 /nfs/dbraw/zinc/42/51/53/568425153.db2.gz BNUBNQJTNWHHPX-HSZRJFAPSA-N 0 0 414.549 5.383 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045229 568425155 /nfs/dbraw/zinc/42/51/55/568425155.db2.gz BNUBNQJTNWHHPX-QHCPKHFHSA-N 0 0 414.549 5.383 50 0 HKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000046045256 568425192 /nfs/dbraw/zinc/42/51/92/568425192.db2.gz HFOWYNBSYBEEMI-SFHVURJKSA-N 0 0 424.903 5.052 50 0 HKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000046045260 568425135 /nfs/dbraw/zinc/42/51/35/568425135.db2.gz HFOWYNBSYBEEMI-GOSISDBHSA-N 0 0 424.903 5.052 50 0 HKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000046045269 568425136 /nfs/dbraw/zinc/42/51/36/568425136.db2.gz KFHFVJVWYVUHCQ-SFHVURJKSA-N 0 0 424.903 5.052 50 0 HKAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000046045272 568425151 /nfs/dbraw/zinc/42/51/51/568425151.db2.gz KFHFVJVWYVUHCQ-GOSISDBHSA-N 0 0 424.903 5.052 50 0 HKAARN Cc1nn(-c2cccc(F)c2)c2nc(OCc3c(C)c(C)sc3C=O)cc(C)c12 ZINC000046046853 568425756 /nfs/dbraw/zinc/42/57/56/568425756.db2.gz NCOWDDWZDAFCQX-UHFFFAOYSA-N 0 0 409.486 5.246 50 0 HKAARN Cc1ccc(C)c(Cn2cc(C(=O)c3ccccc3Cl)c(=O)c3ccc(C)nc32)c1 ZINC000046053742 568425485 /nfs/dbraw/zinc/42/54/85/568425485.db2.gz UNLFBQMTSKKKSX-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3ccccc3Cl)c2n1 ZINC000046053746 568425498 /nfs/dbraw/zinc/42/54/98/568425498.db2.gz SLANVDBAMZCHEZ-UHFFFAOYSA-N 0 0 423.299 5.291 50 0 HKAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3ccc(Cl)cc3)c2n1 ZINC000046053747 568425466 /nfs/dbraw/zinc/42/54/66/568425466.db2.gz GOJCYMUXLZBIKH-UHFFFAOYSA-N 0 0 423.299 5.291 50 0 HKAARN Cc1ccc(C)c(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000046053756 568425500 /nfs/dbraw/zinc/42/55/00/568425500.db2.gz XGBJQKHCOLTQRQ-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3cccc(Cl)c3)c2n1 ZINC000046053757 568425467 /nfs/dbraw/zinc/42/54/67/568425467.db2.gz NSFIFLDGNJWSPA-UHFFFAOYSA-N 0 0 423.299 5.291 50 0 HKAARN Cc1ccc(C)c(Cn2cc(C(=O)c3cc(C)ccc3C)c(=O)c3ccc(C)nc32)c1 ZINC000046053767 568425496 /nfs/dbraw/zinc/42/54/96/568425496.db2.gz JQZTXLPTHZHOAE-UHFFFAOYSA-N 0 0 410.517 5.218 50 0 HKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3ccccc3Cl)c3nc(C)ccc3c2=O)c1 ZINC000046053769 568425469 /nfs/dbraw/zinc/42/54/69/568425469.db2.gz XYUOZIQTZJUFFE-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3cccc(Cl)c3)c3nc(C)ccc3c2=O)c1 ZINC000046053770 568425487 /nfs/dbraw/zinc/42/54/87/568425487.db2.gz XIBNRGMGLWTDSI-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)c1 ZINC000046053771 568425486 /nfs/dbraw/zinc/42/54/86/568425486.db2.gz AQXRCFPXNHMKAN-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc(C)c(C(=O)c2cn(Cc3c(C)cc(C)cc3C)c3nc(C)ccc3c2=O)c1 ZINC000046053776 568425508 /nfs/dbraw/zinc/42/55/08/568425508.db2.gz MAJJDHCHKXRMSS-UHFFFAOYSA-N 0 0 424.544 5.526 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3ccc(F)cc3Cl)c3nc(C)ccc3c2=O)cc1 ZINC000046053795 568425585 /nfs/dbraw/zinc/42/55/85/568425585.db2.gz NJFBSWDSEOXZPO-UHFFFAOYSA-N 0 0 420.871 5.085 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053800 568425622 /nfs/dbraw/zinc/42/56/22/568425622.db2.gz JGURTKNEDIYVED-UHFFFAOYSA-N 0 0 410.517 5.218 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3ccccc3Cl)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053803 568425612 /nfs/dbraw/zinc/42/56/12/568425612.db2.gz VTHDEEOYNVEWFZ-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3cccc(Cl)c3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053804 568425619 /nfs/dbraw/zinc/42/56/19/568425619.db2.gz VAEMBJGSDUIOEU-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053805 568425598 /nfs/dbraw/zinc/42/55/98/568425598.db2.gz UUKNBHSVLQYERE-UHFFFAOYSA-N 0 0 416.908 5.254 50 0 HKAARN C=Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1 ZINC000046053811 568425623 /nfs/dbraw/zinc/42/56/23/568425623.db2.gz XAMKCDJICRMYLC-UHFFFAOYSA-N 0 0 408.501 5.244 50 0 HKAARN Cc1ccc(C(=O)c2cn(Cc3c(C)cc(C)cc3C)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053812 568425588 /nfs/dbraw/zinc/42/55/88/568425588.db2.gz NKQBSHXGQSYKGK-UHFFFAOYSA-N 0 0 424.544 5.526 50 0 HKAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@H]2c1ccc(OCC(C)C)cc1 ZINC000046056318 568425734 /nfs/dbraw/zinc/42/57/34/568425734.db2.gz MZLFXIJJFVNGBE-SFHVURJKSA-N 0 0 409.917 5.343 50 0 HKAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(OCC(C)C)cc1 ZINC000046056321 568425733 /nfs/dbraw/zinc/42/57/33/568425733.db2.gz MZLFXIJJFVNGBE-GOSISDBHSA-N 0 0 409.917 5.343 50 0 HKAARN Cc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056386 568425874 /nfs/dbraw/zinc/42/58/74/568425874.db2.gz DZDDEZJUYDUPOB-MRXNPFEDSA-N 0 0 413.930 5.130 50 0 HKAARN Cc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056388 568425955 /nfs/dbraw/zinc/42/59/55/568425955.db2.gz DZDDEZJUYDUPOB-INIZCTEOSA-N 0 0 413.930 5.130 50 0 HKAARN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056450 568425947 /nfs/dbraw/zinc/42/59/47/568425947.db2.gz YADAUZBGPCUNDK-GOSISDBHSA-N 0 0 407.901 5.014 50 0 HKAARN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056453 568425945 /nfs/dbraw/zinc/42/59/45/568425945.db2.gz YADAUZBGPCUNDK-SFHVURJKSA-N 0 0 407.901 5.014 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056488 568425866 /nfs/dbraw/zinc/42/58/66/568425866.db2.gz JSRYTFYHECQEDI-QGZVFWFLSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056491 568425891 /nfs/dbraw/zinc/42/58/91/568425891.db2.gz JSRYTFYHECQEDI-KRWDZBQOSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056494 568425914 /nfs/dbraw/zinc/42/59/14/568425914.db2.gz PGLLHUCFBJYTSO-GOSISDBHSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056496 568425895 /nfs/dbraw/zinc/42/58/95/568425895.db2.gz PGLLHUCFBJYTSO-SFHVURJKSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056510 568425916 /nfs/dbraw/zinc/42/59/16/568425916.db2.gz VLJSRIUYYWEDCQ-JOCHJYFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056512 568425899 /nfs/dbraw/zinc/42/58/99/568425899.db2.gz VLJSRIUYYWEDCQ-QFIPXVFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056514 568425960 /nfs/dbraw/zinc/42/59/60/568425960.db2.gz INQUYDYRKSEYGC-FQEVSTJZSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056517 568425860 /nfs/dbraw/zinc/42/58/60/568425860.db2.gz INQUYDYRKSEYGC-HXUWFJFHSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056520 568425848 /nfs/dbraw/zinc/42/58/48/568425848.db2.gz KBFSASGBLGRFRO-FQEVSTJZSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056523 568425903 /nfs/dbraw/zinc/42/59/03/568425903.db2.gz KBFSASGBLGRFRO-HXUWFJFHSA-N 0 0 415.880 5.296 50 0 HKAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc3ccccc3c2)cc1 ZINC000046056548 568425924 /nfs/dbraw/zinc/42/59/24/568425924.db2.gz UXBAVEHCGMNQNY-JOCHJYFZSA-N 0 0 409.489 5.205 50 0 HKAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc3ccccc3c2)cc1 ZINC000046056551 568425926 /nfs/dbraw/zinc/42/59/26/568425926.db2.gz UXBAVEHCGMNQNY-QFIPXVFZSA-N 0 0 409.489 5.205 50 0 HKAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056554 568425943 /nfs/dbraw/zinc/42/59/43/568425943.db2.gz ZXOLLENLCHEVHI-JOCHJYFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056558 568425953 /nfs/dbraw/zinc/42/59/53/568425953.db2.gz ZXOLLENLCHEVHI-QFIPXVFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056561 568425888 /nfs/dbraw/zinc/42/58/88/568425888.db2.gz KJBCVQLZJBACEI-FQEVSTJZSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056564 568425940 /nfs/dbraw/zinc/42/59/40/568425940.db2.gz KJBCVQLZJBACEI-HXUWFJFHSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056566 568425920 /nfs/dbraw/zinc/42/59/20/568425920.db2.gz UIWCZYKLGHSLRU-FQEVSTJZSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056569 568425928 /nfs/dbraw/zinc/42/59/28/568425928.db2.gz UIWCZYKLGHSLRU-HXUWFJFHSA-N 0 0 415.880 5.296 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056698 568425958 /nfs/dbraw/zinc/42/59/58/568425958.db2.gz TWWQDCHAZIQSCQ-QGZVFWFLSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056700 568425910 /nfs/dbraw/zinc/42/59/10/568425910.db2.gz TWWQDCHAZIQSCQ-KRWDZBQOSA-N 0 0 407.901 5.068 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056709 568425853 /nfs/dbraw/zinc/42/58/53/568425853.db2.gz WEQLMBDKJDUZPW-JOCHJYFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056712 568426101 /nfs/dbraw/zinc/42/61/01/568426101.db2.gz WEQLMBDKJDUZPW-QFIPXVFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2ccc(C)cc2C)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056886 568426120 /nfs/dbraw/zinc/42/61/20/568426120.db2.gz FSJUWDFKQUVVLQ-OAQYLSRUSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2ccc(C)cc2C)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056889 568425999 /nfs/dbraw/zinc/42/59/99/568425999.db2.gz FSJUWDFKQUVVLQ-NRFANRHFSA-N 0 0 409.489 5.259 50 0 HKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc3ccccc3c2)c1 ZINC000046057346 568426212 /nfs/dbraw/zinc/42/62/12/568426212.db2.gz JKQZEBGYTQLLAM-JOCHJYFZSA-N 0 0 409.489 5.205 50 0 HKAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc3ccccc3c2)c1 ZINC000046057350 568426252 /nfs/dbraw/zinc/42/62/52/568426252.db2.gz JKQZEBGYTQLLAM-QFIPXVFZSA-N 0 0 409.489 5.205 50 0 HKAARN CCN(c1ccc2sc(C(=O)Nc3ccc(C(C)C)cc3)cc2c1)S(C)(=O)=O ZINC000046058191 568426328 /nfs/dbraw/zinc/42/63/28/568426328.db2.gz VAXODZVBGKWZEJ-UHFFFAOYSA-N 0 0 416.568 5.063 50 0 HKAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(C(C)C)cc3)cc2c1 ZINC000046058358 568426467 /nfs/dbraw/zinc/42/64/67/568426467.db2.gz YFJHVABSRVDHNZ-UHFFFAOYSA-N 0 0 416.568 5.063 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OCC ZINC000046075895 568427046 /nfs/dbraw/zinc/42/70/46/568427046.db2.gz DMEHKSOGFIPSJB-SFHVURJKSA-N 0 0 407.535 6.077 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OCC ZINC000046075898 568427034 /nfs/dbraw/zinc/42/70/34/568427034.db2.gz DMEHKSOGFIPSJB-GOSISDBHSA-N 0 0 407.535 6.077 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)ccc1OCC(C)C ZINC000046075918 568426996 /nfs/dbraw/zinc/42/69/96/568426996.db2.gz UMGNZUXQUYJMMG-SFHVURJKSA-N 0 0 407.535 5.933 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)ccc1OCC(C)C ZINC000046075921 568426974 /nfs/dbraw/zinc/42/69/74/568426974.db2.gz UMGNZUXQUYJMMG-GOSISDBHSA-N 0 0 407.535 5.933 50 0 HKAARN O=C1C[C@H](c2cc(Br)ccc2F)c2scc(-c3ccccc3)c2N1 ZINC000046075929 568427012 /nfs/dbraw/zinc/42/70/12/568427012.db2.gz NOOGAMDVOYMRPH-CQSZACIVSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2scc(-c3ccccc3)c2N1 ZINC000046075932 568426960 /nfs/dbraw/zinc/42/69/60/568426960.db2.gz NOOGAMDVOYMRPH-AWEZNQCLSA-N 0 0 402.288 5.791 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1Br ZINC000046075967 568426983 /nfs/dbraw/zinc/42/69/83/568426983.db2.gz DBPOQXAXASXIPM-AWEZNQCLSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1Br ZINC000046075970 568426937 /nfs/dbraw/zinc/42/69/37/568426937.db2.gz DBPOQXAXASXIPM-CQSZACIVSA-N 0 0 414.324 5.660 50 0 HKAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(C)cc3)csc21 ZINC000046075996 568426967 /nfs/dbraw/zinc/42/69/67/568426967.db2.gz DZUJKSJSCUUCBW-SFHVURJKSA-N 0 0 407.535 5.995 50 0 HKAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(C)cc3)csc21 ZINC000046075999 568427085 /nfs/dbraw/zinc/42/70/85/568427085.db2.gz DZUJKSJSCUUCBW-GOSISDBHSA-N 0 0 407.535 5.995 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076047 568427052 /nfs/dbraw/zinc/42/70/52/568427052.db2.gz WNXBPWUHLOESBX-SFHVURJKSA-N 0 0 407.535 5.995 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076050 568427180 /nfs/dbraw/zinc/42/71/80/568427180.db2.gz WNXBPWUHLOESBX-GOSISDBHSA-N 0 0 407.535 5.995 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076053 568427141 /nfs/dbraw/zinc/42/71/41/568427141.db2.gz UHEBQUHNZGZSIU-IBGZPJMESA-N 0 0 421.562 6.385 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076056 568427157 /nfs/dbraw/zinc/42/71/57/568427157.db2.gz UHEBQUHNZGZSIU-LJQANCHMSA-N 0 0 421.562 6.385 50 0 HKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076129 568427134 /nfs/dbraw/zinc/42/71/34/568427134.db2.gz VWAIXCYLBSDRFQ-IBGZPJMESA-N 0 0 407.535 6.077 50 0 HKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076132 568427170 /nfs/dbraw/zinc/42/71/70/568427170.db2.gz VWAIXCYLBSDRFQ-LJQANCHMSA-N 0 0 407.535 6.077 50 0 HKAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076145 568427161 /nfs/dbraw/zinc/42/71/61/568427161.db2.gz PSALEOIFNVMFRQ-KRWDZBQOSA-N 0 0 409.507 5.305 50 0 HKAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076147 568427153 /nfs/dbraw/zinc/42/71/53/568427153.db2.gz PSALEOIFNVMFRQ-QGZVFWFLSA-N 0 0 409.507 5.305 50 0 HKAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076150 568427155 /nfs/dbraw/zinc/42/71/55/568427155.db2.gz ULEZROYRSQBVIL-SFHVURJKSA-N 0 0 423.534 5.695 50 0 HKAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076153 568427138 /nfs/dbraw/zinc/42/71/38/568427138.db2.gz ULEZROYRSQBVIL-GOSISDBHSA-N 0 0 423.534 5.695 50 0 HKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076189 568427183 /nfs/dbraw/zinc/42/71/83/568427183.db2.gz RDIOKXFCINBPLC-FQEVSTJZSA-N 0 0 407.535 6.077 50 0 HKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076191 568427149 /nfs/dbraw/zinc/42/71/49/568427149.db2.gz RDIOKXFCINBPLC-HXUWFJFHSA-N 0 0 407.535 6.077 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076238 568427151 /nfs/dbraw/zinc/42/71/51/568427151.db2.gz XRBZSNJEXOYAHL-KRWDZBQOSA-N 0 0 409.507 5.305 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076241 568427145 /nfs/dbraw/zinc/42/71/45/568427145.db2.gz XRBZSNJEXOYAHL-QGZVFWFLSA-N 0 0 409.507 5.305 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076243 568427156 /nfs/dbraw/zinc/42/71/56/568427156.db2.gz SFDKDYRLULMLPE-SFHVURJKSA-N 0 0 423.534 5.695 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076245 568427173 /nfs/dbraw/zinc/42/71/73/568427173.db2.gz SFDKDYRLULMLPE-GOSISDBHSA-N 0 0 423.534 5.695 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076261 568427139 /nfs/dbraw/zinc/42/71/39/568427139.db2.gz OAFGKUSLOIGHSX-SFHVURJKSA-N 0 0 423.534 5.695 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076264 568427175 /nfs/dbraw/zinc/42/71/75/568427175.db2.gz OAFGKUSLOIGHSX-GOSISDBHSA-N 0 0 423.534 5.695 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000046076326 568427140 /nfs/dbraw/zinc/42/71/40/568427140.db2.gz GRYPPXRGDCBJLE-SFHVURJKSA-N 0 0 423.534 5.694 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000046076328 568427142 /nfs/dbraw/zinc/42/71/42/568427142.db2.gz GRYPPXRGDCBJLE-GOSISDBHSA-N 0 0 423.534 5.694 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cccc(Br)c2)cc1 ZINC000046076378 568427165 /nfs/dbraw/zinc/42/71/65/568427165.db2.gz CHMYTDZCBKESFC-MRXNPFEDSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(Br)c2)cc1 ZINC000046076381 568427167 /nfs/dbraw/zinc/42/71/67/568427167.db2.gz CHMYTDZCBKESFC-INIZCTEOSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccccc2Br)cc1 ZINC000046076383 568427159 /nfs/dbraw/zinc/42/71/59/568427159.db2.gz XZBVJGBSZUIVMU-OAHLLOKOSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccccc2Br)cc1 ZINC000046076386 568427166 /nfs/dbraw/zinc/42/71/66/568427166.db2.gz XZBVJGBSZUIVMU-HNNXBMFYSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(Br)cc2)cc1 ZINC000046076389 568427146 /nfs/dbraw/zinc/42/71/46/568427146.db2.gz XRWRGORJXJPOJP-MRXNPFEDSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(Br)cc2)cc1 ZINC000046076392 568427150 /nfs/dbraw/zinc/42/71/50/568427150.db2.gz XRWRGORJXJPOJP-INIZCTEOSA-N 0 0 414.324 5.660 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccccc2C(F)(F)F)cc1 ZINC000046076412 568427163 /nfs/dbraw/zinc/42/71/63/568427163.db2.gz AHAGGOQNXWQRRT-OAHLLOKOSA-N 0 0 403.425 5.917 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 ZINC000046076415 568427168 /nfs/dbraw/zinc/42/71/68/568427168.db2.gz AHAGGOQNXWQRRT-HNNXBMFYSA-N 0 0 403.425 5.917 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000046076418 568427147 /nfs/dbraw/zinc/42/71/47/568427147.db2.gz WOSGXFIYLCMCSQ-MRXNPFEDSA-N 0 0 403.425 5.917 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000046076421 568427144 /nfs/dbraw/zinc/42/71/44/568427144.db2.gz WOSGXFIYLCMCSQ-INIZCTEOSA-N 0 0 403.425 5.917 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 ZINC000046076440 568427179 /nfs/dbraw/zinc/42/71/79/568427179.db2.gz KAVXDLKZHQKPDJ-FQEVSTJZSA-N 0 0 407.535 5.933 50 0 HKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 ZINC000046076443 568427172 /nfs/dbraw/zinc/42/71/72/568427172.db2.gz KAVXDLKZHQKPDJ-HXUWFJFHSA-N 0 0 407.535 5.933 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)c(OC)c1OC ZINC000046076582 568427176 /nfs/dbraw/zinc/42/71/76/568427176.db2.gz SKDTYFSNWQRYAU-AWEZNQCLSA-N 0 0 413.470 5.054 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)c(OC)c1OC ZINC000046076585 568427137 /nfs/dbraw/zinc/42/71/37/568427137.db2.gz SKDTYFSNWQRYAU-CQSZACIVSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076588 568427148 /nfs/dbraw/zinc/42/71/48/568427148.db2.gz MQAAEOCSCTYZTB-AWEZNQCLSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076592 568427162 /nfs/dbraw/zinc/42/71/62/568427162.db2.gz MQAAEOCSCTYZTB-CQSZACIVSA-N 0 0 413.470 5.054 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076622 568427160 /nfs/dbraw/zinc/42/71/60/568427160.db2.gz IHKBXAINZGDGOS-INIZCTEOSA-N 0 0 411.498 5.826 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076625 568427178 /nfs/dbraw/zinc/42/71/78/568427178.db2.gz IHKBXAINZGDGOS-MRXNPFEDSA-N 0 0 411.498 5.826 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc(OC)c1OC ZINC000046076646 568427174 /nfs/dbraw/zinc/42/71/74/568427174.db2.gz MZPFIOCFOBHLOS-AWEZNQCLSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc(OC)c1OC ZINC000046076648 568928428 /nfs/dbraw/zinc/92/84/28/568928428.db2.gz MZPFIOCFOBHLOS-CQSZACIVSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OC(C)C ZINC000046076676 568427143 /nfs/dbraw/zinc/42/71/43/568427143.db2.gz MRWHWHLLGBEREY-INIZCTEOSA-N 0 0 411.498 5.824 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)ccc1OC(C)C ZINC000046076677 568427177 /nfs/dbraw/zinc/42/71/77/568427177.db2.gz MRWHWHLLGBEREY-MRXNPFEDSA-N 0 0 411.498 5.824 50 0 HKAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076679 568427171 /nfs/dbraw/zinc/42/71/71/568427171.db2.gz VCZUEWATUQFTGG-GFCCVEGCSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076681 568928376 /nfs/dbraw/zinc/92/83/76/568928376.db2.gz VCZUEWATUQFTGG-LBPRGKRZSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@H](c2cc(Br)ccc2F)c2scc(-c3ccccc3F)c2N1 ZINC000046076704 568427181 /nfs/dbraw/zinc/42/71/81/568427181.db2.gz LECRGTNNIJKJGA-CYBMUJFWSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2scc(-c3ccccc3F)c2N1 ZINC000046076705 568427154 /nfs/dbraw/zinc/42/71/54/568427154.db2.gz LECRGTNNIJKJGA-ZDUSSCGKSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@H](c2cccc(Br)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076707 568427135 /nfs/dbraw/zinc/42/71/35/568427135.db2.gz WXXCCPMSCFIXQL-CQSZACIVSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2cccc(Br)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076709 568427158 /nfs/dbraw/zinc/42/71/58/568427158.db2.gz WXXCCPMSCFIXQL-AWEZNQCLSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@H](c2ccc(Br)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076710 568427169 /nfs/dbraw/zinc/42/71/69/568427169.db2.gz XZNTUZRDOBGNIJ-CQSZACIVSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2ccc(Br)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076712 568427263 /nfs/dbraw/zinc/42/72/63/568427263.db2.gz XZNTUZRDOBGNIJ-AWEZNQCLSA-N 0 0 402.288 5.791 50 0 HKAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076781 568427269 /nfs/dbraw/zinc/42/72/69/568427269.db2.gz ACNXJKCHXDKRCU-KRWDZBQOSA-N 0 0 411.498 5.826 50 0 HKAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076783 568427234 /nfs/dbraw/zinc/42/72/34/568427234.db2.gz ACNXJKCHXDKRCU-QGZVFWFLSA-N 0 0 411.498 5.826 50 0 HKAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076820 568427277 /nfs/dbraw/zinc/42/72/77/568427277.db2.gz TXLPZAGBMDUKEK-HNNXBMFYSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076822 568427249 /nfs/dbraw/zinc/42/72/49/568427249.db2.gz TXLPZAGBMDUKEK-OAHLLOKOSA-N 0 0 413.470 5.054 50 0 HKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076827 568427291 /nfs/dbraw/zinc/42/72/91/568427291.db2.gz MLUOOPWHRQEKJI-KRWDZBQOSA-N 0 0 411.498 5.826 50 0 HKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076829 568427300 /nfs/dbraw/zinc/42/73/00/568427300.db2.gz MLUOOPWHRQEKJI-QGZVFWFLSA-N 0 0 411.498 5.826 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076843 568427283 /nfs/dbraw/zinc/42/72/83/568427283.db2.gz DBTIFOHWHNGZQQ-KRWDZBQOSA-N 0 0 411.498 5.826 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076845 568427238 /nfs/dbraw/zinc/42/72/38/568427238.db2.gz DBTIFOHWHNGZQQ-QGZVFWFLSA-N 0 0 411.498 5.826 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc(OC)c1OC ZINC000046076859 568427241 /nfs/dbraw/zinc/42/72/41/568427241.db2.gz LUFHCMILKUOHGV-HNNXBMFYSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc(OC)c1OC ZINC000046076861 568427299 /nfs/dbraw/zinc/42/72/99/568427299.db2.gz LUFHCMILKUOHGV-OAHLLOKOSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OC(C)C ZINC000046076892 568427267 /nfs/dbraw/zinc/42/72/67/568427267.db2.gz DMNIOPZKOCUWMQ-KRWDZBQOSA-N 0 0 411.498 5.824 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)ccc1OC(C)C ZINC000046076894 568427248 /nfs/dbraw/zinc/42/72/48/568427248.db2.gz DMNIOPZKOCUWMQ-QGZVFWFLSA-N 0 0 411.498 5.824 50 0 HKAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076895 568427303 /nfs/dbraw/zinc/42/73/03/568427303.db2.gz PDIUWXKPJGXPIZ-CYBMUJFWSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076897 568427272 /nfs/dbraw/zinc/42/72/72/568427272.db2.gz PDIUWXKPJGXPIZ-ZDUSSCGKSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@H](c2cc(Br)ccc2F)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076922 568427281 /nfs/dbraw/zinc/42/72/81/568427281.db2.gz RGBAKTABHSURKZ-CQSZACIVSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076924 568427306 /nfs/dbraw/zinc/42/73/06/568427306.db2.gz RGBAKTABHSURKZ-AWEZNQCLSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@H](c2cccc(Br)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076926 568427274 /nfs/dbraw/zinc/42/72/74/568427274.db2.gz IRKCLAYXLKOKEQ-OAHLLOKOSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2cccc(Br)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076928 568427297 /nfs/dbraw/zinc/42/72/97/568427297.db2.gz IRKCLAYXLKOKEQ-HNNXBMFYSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2ccccc2Br)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076930 568427285 /nfs/dbraw/zinc/42/72/85/568427285.db2.gz DLUNAUNCVFHYTP-AWEZNQCLSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@H](c2ccccc2Br)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076932 568427301 /nfs/dbraw/zinc/42/73/01/568427301.db2.gz DLUNAUNCVFHYTP-CQSZACIVSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@H](c2ccc(Br)cc2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076934 568427305 /nfs/dbraw/zinc/42/73/05/568427305.db2.gz LTUZJRIDKHCQQY-OAHLLOKOSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2ccc(Br)cc2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076937 568427246 /nfs/dbraw/zinc/42/72/46/568427246.db2.gz LTUZJRIDKHCQQY-HNNXBMFYSA-N 0 0 402.288 5.791 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)c(OC)c1OC ZINC000046077073 568427278 /nfs/dbraw/zinc/42/72/78/568427278.db2.gz GEXKUYQJJHUGHE-HNNXBMFYSA-N 0 0 413.470 5.054 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)c(OC)c1OC ZINC000046077075 568427257 /nfs/dbraw/zinc/42/72/57/568427257.db2.gz GEXKUYQJJHUGHE-OAHLLOKOSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077077 568427236 /nfs/dbraw/zinc/42/72/36/568427236.db2.gz OIEAZABMELHTNP-HNNXBMFYSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077079 568427280 /nfs/dbraw/zinc/42/72/80/568427280.db2.gz OIEAZABMELHTNP-OAHLLOKOSA-N 0 0 413.470 5.054 50 0 HKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077093 568427284 /nfs/dbraw/zinc/42/72/84/568427284.db2.gz IIXIFPQNSPYSTO-KRWDZBQOSA-N 0 0 411.498 5.826 50 0 HKAARN CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077095 568427304 /nfs/dbraw/zinc/42/73/04/568427304.db2.gz IIXIFPQNSPYSTO-QGZVFWFLSA-N 0 0 411.498 5.826 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc(OC)c1OC ZINC000046077105 568427275 /nfs/dbraw/zinc/42/72/75/568427275.db2.gz ONOVRUJDMAPGRZ-HNNXBMFYSA-N 0 0 413.470 5.054 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc(OC)c1OC ZINC000046077107 568427292 /nfs/dbraw/zinc/42/72/92/568427292.db2.gz ONOVRUJDMAPGRZ-OAHLLOKOSA-N 0 0 413.470 5.054 50 0 HKAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077132 568427294 /nfs/dbraw/zinc/42/72/94/568427294.db2.gz HUAHXLUAQNPDLI-CYBMUJFWSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077134 568427296 /nfs/dbraw/zinc/42/72/96/568427296.db2.gz HUAHXLUAQNPDLI-ZDUSSCGKSA-N 0 0 420.278 5.930 50 0 HKAARN O=C1C[C@@H](c2cccc(Br)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077151 568427295 /nfs/dbraw/zinc/42/72/95/568427295.db2.gz QNSPBMQNHATBIV-HNNXBMFYSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@H](c2cccc(Br)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077153 568427259 /nfs/dbraw/zinc/42/72/59/568427259.db2.gz QNSPBMQNHATBIV-OAHLLOKOSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@@H](c2ccccc2Br)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077155 568427293 /nfs/dbraw/zinc/42/72/93/568427293.db2.gz KDZCEQWOURQSHK-AWEZNQCLSA-N 0 0 402.288 5.791 50 0 HKAARN O=C1C[C@H](c2ccccc2Br)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077156 568427270 /nfs/dbraw/zinc/42/72/70/568427270.db2.gz KDZCEQWOURQSHK-CQSZACIVSA-N 0 0 402.288 5.791 50 0 HKAARN O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000046077348 568427349 /nfs/dbraw/zinc/42/73/49/568427349.db2.gz QZUPBEKLLAVXGS-UHFFFAOYSA-N 0 0 417.896 5.994 50 0 HKAARN O=C(Nc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1)c1ccco1 ZINC000046077364 568427400 /nfs/dbraw/zinc/42/74/00/568427400.db2.gz UWNJSQIIFXBLGH-UHFFFAOYSA-N 0 0 408.885 5.636 50 0 HKAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(F)(F)F)c2)CCCC1 ZINC000046078055 568427447 /nfs/dbraw/zinc/42/74/47/568427447.db2.gz QMIBDFTYDOKRQE-UHFFFAOYSA-N 0 0 401.436 5.179 50 0 HKAARN FC(F)(F)c1cccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)c1 ZINC000046078269 568427411 /nfs/dbraw/zinc/42/74/11/568427411.db2.gz UILVPCOBANOSCS-UHFFFAOYSA-N 0 0 407.827 5.216 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078436 568427408 /nfs/dbraw/zinc/42/74/08/568427408.db2.gz YKEPJKPWERWYNM-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078438 568427435 /nfs/dbraw/zinc/42/74/35/568427435.db2.gz DIVZVQVGCNALLE-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078440 568427466 /nfs/dbraw/zinc/42/74/66/568427466.db2.gz IDMYIHUVCLUIJF-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1Cl ZINC000046078442 568427472 /nfs/dbraw/zinc/42/74/72/568427472.db2.gz LPCHDZWMUKNVON-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078450 568427482 /nfs/dbraw/zinc/42/74/82/568427482.db2.gz VDBGPLVHVQXAJP-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078453 568427507 /nfs/dbraw/zinc/42/75/07/568427507.db2.gz SMOJZUZGEVXHCG-UHFFFAOYSA-N 0 0 424.422 5.551 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078455 568427510 /nfs/dbraw/zinc/42/75/10/568427510.db2.gz UVOSBPUILOSXHH-UHFFFAOYSA-N 0 0 424.422 5.551 50 0 HKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1Cl ZINC000046078471 568427500 /nfs/dbraw/zinc/42/75/00/568427500.db2.gz YDQJXMWQIIYCHJ-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078490 568427476 /nfs/dbraw/zinc/42/74/76/568427476.db2.gz NWIQSUMHFJNDMK-UHFFFAOYSA-N 0 0 402.519 5.254 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCCC4=CCCCC4)ccc32)cc1 ZINC000046078510 568427505 /nfs/dbraw/zinc/42/75/05/568427505.db2.gz MWYYNMHKJHQGCM-UHFFFAOYSA-N 0 0 402.538 5.208 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4)ccc32)cc1 ZINC000046078516 568427580 /nfs/dbraw/zinc/42/75/80/568427580.db2.gz XENJSADHXSDWGH-UHFFFAOYSA-N 0 0 418.924 5.171 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000046078559 568427548 /nfs/dbraw/zinc/42/75/48/568427548.db2.gz KSSMPPUMDLHRMW-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)cc1 ZINC000046078561 568427565 /nfs/dbraw/zinc/42/75/65/568427565.db2.gz CJYQNLBNHNUWMK-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000046078563 568427597 /nfs/dbraw/zinc/42/75/97/568427597.db2.gz GZRRWMYWBZKFGZ-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4F)ccc32)cc1 ZINC000046078569 568427535 /nfs/dbraw/zinc/42/75/35/568427535.db2.gz BFBGLTNRAWVWPZ-UHFFFAOYSA-N 0 0 406.432 5.119 50 0 HKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc32)cc1 ZINC000046078571 568427516 /nfs/dbraw/zinc/42/75/16/568427516.db2.gz QSOFIORWEKGLCI-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078579 568427532 /nfs/dbraw/zinc/42/75/32/568427532.db2.gz SDHXJJUKPGOELL-UHFFFAOYSA-N 0 0 414.505 5.239 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078581 568427529 /nfs/dbraw/zinc/42/75/29/568427529.db2.gz RSFDRYWIJSFNLB-UHFFFAOYSA-N 0 0 414.505 5.239 50 0 HKAARN CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 ZINC000046078590 568427553 /nfs/dbraw/zinc/42/75/53/568427553.db2.gz JFMTWTJCDYTKOX-UHFFFAOYSA-N 0 0 416.546 5.562 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 ZINC000046078598 568427519 /nfs/dbraw/zinc/42/75/19/568427519.db2.gz ULMUVLHZLBDFTC-UHFFFAOYSA-N 0 0 412.489 5.043 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078615 568427603 /nfs/dbraw/zinc/42/76/03/568427603.db2.gz YFRNUGFPHWZYNK-UHFFFAOYSA-N 0 0 416.546 5.562 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCC4=CCCCC4)ccc32)c1 ZINC000046078644 568427545 /nfs/dbraw/zinc/42/75/45/568427545.db2.gz CFLIKICUFCJKFV-UHFFFAOYSA-N 0 0 402.538 5.208 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4)ccc32)c1 ZINC000046078654 568427577 /nfs/dbraw/zinc/42/75/77/568427577.db2.gz RRVBIIUIZVTMTL-UHFFFAOYSA-N 0 0 418.924 5.171 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)c1 ZINC000046078688 568427541 /nfs/dbraw/zinc/42/75/41/568427541.db2.gz JALNNZPRZFMMCW-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)c1 ZINC000046078689 568427513 /nfs/dbraw/zinc/42/75/13/568427513.db2.gz DSWMRTOODYSZQE-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)c1 ZINC000046078691 568427539 /nfs/dbraw/zinc/42/75/39/568427539.db2.gz CWIOMRALXYVIAK-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4F)ccc32)c1 ZINC000046078693 568427515 /nfs/dbraw/zinc/42/75/15/568427515.db2.gz IEEZIQJSENTZAO-UHFFFAOYSA-N 0 0 406.432 5.119 50 0 HKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(F)cccc4F)ccc32)c1 ZINC000046078695 568427584 /nfs/dbraw/zinc/42/75/84/568427584.db2.gz HSRXXKWWIIMHKT-UHFFFAOYSA-N 0 0 406.432 5.119 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078702 568427595 /nfs/dbraw/zinc/42/75/95/568427595.db2.gz ITUKYAXBPOYLOQ-UHFFFAOYSA-N 0 0 414.505 5.239 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000046078703 568427536 /nfs/dbraw/zinc/42/75/36/568427536.db2.gz RUTOROQFUCKXRM-UHFFFAOYSA-N 0 0 414.505 5.239 50 0 HKAARN CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078713 568427524 /nfs/dbraw/zinc/42/75/24/568427524.db2.gz ZBIDINGDMPBVCN-UHFFFAOYSA-N 0 0 416.546 5.562 50 0 HKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078721 568427543 /nfs/dbraw/zinc/42/75/43/568427543.db2.gz HVQDDHDRBZTXSE-UHFFFAOYSA-N 0 0 412.489 5.043 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078736 568427555 /nfs/dbraw/zinc/42/75/55/568427555.db2.gz BKGPBUDDZOJWMB-UHFFFAOYSA-N 0 0 416.546 5.562 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078761 568427569 /nfs/dbraw/zinc/42/75/69/568427569.db2.gz AOWFAKOLNDPOJR-UHFFFAOYSA-N 0 0 422.956 5.553 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046078769 568427605 /nfs/dbraw/zinc/42/76/05/568427605.db2.gz RKNANRPTCPUOMF-UHFFFAOYSA-N 0 0 418.924 5.171 50 0 HKAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078780 568427572 /nfs/dbraw/zinc/42/75/72/568427572.db2.gz CAXGTIBWLVMOQM-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000046078782 568427511 /nfs/dbraw/zinc/42/75/11/568427511.db2.gz WYIKBHYTKHTCFD-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078783 568427582 /nfs/dbraw/zinc/42/75/82/568427582.db2.gz VDWSPUSHRDHVCE-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078785 568427547 /nfs/dbraw/zinc/42/75/47/568427547.db2.gz CQSJDFXKPGEASZ-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078786 568427561 /nfs/dbraw/zinc/42/75/61/568427561.db2.gz MRCOCKGXYTXWDY-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078792 568427598 /nfs/dbraw/zinc/42/75/98/568427598.db2.gz BPXHKVIBBYCCML-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000046078794 568427589 /nfs/dbraw/zinc/42/75/89/568427589.db2.gz SCVUREGVQZGMGX-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046078796 568427570 /nfs/dbraw/zinc/42/75/70/568427570.db2.gz VRMULHJYWYEFPZ-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078851 568427557 /nfs/dbraw/zinc/42/75/57/568427557.db2.gz KLYMKCOOGDOPGZ-UHFFFAOYSA-N 0 0 422.956 5.553 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078858 568427607 /nfs/dbraw/zinc/42/76/07/568427607.db2.gz ZKCFXQAQLZJOMW-UHFFFAOYSA-N 0 0 418.924 5.171 50 0 HKAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078867 560792588 /nfs/dbraw/zinc/79/25/88/560792588.db2.gz VSNZWIYOGFCTFJ-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000046078869 568427522 /nfs/dbraw/zinc/42/75/22/568427522.db2.gz GVRYUERSBABWCY-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078871 568427575 /nfs/dbraw/zinc/42/75/75/568427575.db2.gz XSBMEUIIKWHJIS-UHFFFAOYSA-N 0 0 404.897 5.494 50 0 HKAARN O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078873 560792581 /nfs/dbraw/zinc/79/25/81/560792581.db2.gz AZFWKVHLIRVWGW-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078874 568427564 /nfs/dbraw/zinc/42/75/64/568427564.db2.gz UQJFELOOSNOKPA-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078880 568427550 /nfs/dbraw/zinc/42/75/50/568427550.db2.gz NGKCIQHYTIYGTH-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000046078881 568427593 /nfs/dbraw/zinc/42/75/93/568427593.db2.gz HKHRVUCDAIOQSF-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078883 568427586 /nfs/dbraw/zinc/42/75/86/568427586.db2.gz ZWCZVKNFVXYHFR-UHFFFAOYSA-N 0 0 420.896 5.194 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078927 568427666 /nfs/dbraw/zinc/42/76/66/568427666.db2.gz UHRAWJHAGJEILZ-UHFFFAOYSA-N 0 0 406.501 5.039 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078933 568427622 /nfs/dbraw/zinc/42/76/22/568427622.db2.gz PGNBBGUUJYWMTC-UHFFFAOYSA-N 0 0 422.887 5.002 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1C ZINC000046078951 568427628 /nfs/dbraw/zinc/42/76/28/568427628.db2.gz UGNKUKXTZBDQNS-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(C)c1 ZINC000046078953 568427642 /nfs/dbraw/zinc/42/76/42/568427642.db2.gz SGBDIGTVFAUXPP-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000046078955 568427675 /nfs/dbraw/zinc/42/76/75/568427675.db2.gz YROHHLYJMKJKQP-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078957 568427648 /nfs/dbraw/zinc/42/76/48/568427648.db2.gz MJQJAPFLYAWNTH-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1C ZINC000046078959 568427691 /nfs/dbraw/zinc/42/76/91/568427691.db2.gz XYTPMYPDELYXBT-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000046078961 568427636 /nfs/dbraw/zinc/42/76/36/568427636.db2.gz FEWUWNRGZUORAW-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078963 568427685 /nfs/dbraw/zinc/42/76/85/568427685.db2.gz YLLMJKFVWCTZLX-UHFFFAOYSA-N 0 0 402.469 5.233 50 0 HKAARN CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046078965 568427643 /nfs/dbraw/zinc/42/76/43/568427643.db2.gz DENZVIZTXUJEIV-UHFFFAOYSA-N 0 0 402.469 5.233 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078972 568427671 /nfs/dbraw/zinc/42/76/71/568427671.db2.gz YFRTYNLXUVCNPN-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078973 568427619 /nfs/dbraw/zinc/42/76/19/568427619.db2.gz HAPZCNCFUKXQLH-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078975 568427647 /nfs/dbraw/zinc/42/76/47/568427647.db2.gz DTEYKNSAKDLKQI-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078983 568427655 /nfs/dbraw/zinc/42/76/55/568427655.db2.gz KTQIHOZHGPWKLQ-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078984 568427618 /nfs/dbraw/zinc/42/76/18/568427618.db2.gz UQJQLDSXASYXOH-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078986 568427664 /nfs/dbraw/zinc/42/76/64/568427664.db2.gz XSJDMWNOQMKSGO-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl ZINC000046078988 568427645 /nfs/dbraw/zinc/42/76/45/568427645.db2.gz BZCYKCCOXJGBTJ-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046079004 568427677 /nfs/dbraw/zinc/42/76/77/568427677.db2.gz LDNFCYCHHTWTDL-UHFFFAOYSA-N 0 0 418.468 5.070 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046079006 568427673 /nfs/dbraw/zinc/42/76/73/568427673.db2.gz LGLXVYAZTUMARB-UHFFFAOYSA-N 0 0 418.468 5.070 50 0 HKAARN CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000046079013 568427687 /nfs/dbraw/zinc/42/76/87/568427687.db2.gz WMLOGRWNVQKJIA-UHFFFAOYSA-N 0 0 420.509 5.393 50 0 HKAARN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046079032 568427633 /nfs/dbraw/zinc/42/76/33/568427633.db2.gz WXDNFDCQDLBDGH-UHFFFAOYSA-N 0 0 420.509 5.393 50 0 HKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079039 568427631 /nfs/dbraw/zinc/42/76/31/568427631.db2.gz MYVSLRUOFLUHMQ-UHFFFAOYSA-N 0 0 406.501 5.039 50 0 HKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1C ZINC000046079059 568427635 /nfs/dbraw/zinc/42/76/35/568427635.db2.gz XZSRRLYFIQVTMZ-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c(C)c1 ZINC000046079061 568427623 /nfs/dbraw/zinc/42/76/23/568427623.db2.gz GQFLGZIPXNLKMS-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 ZINC000046079062 568427630 /nfs/dbraw/zinc/42/76/30/568427630.db2.gz PIMPERRSXTTXFD-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079064 568427669 /nfs/dbraw/zinc/42/76/69/568427669.db2.gz VTIPUOIBCSNCPH-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cc1C ZINC000046079066 568427620 /nfs/dbraw/zinc/42/76/20/568427620.db2.gz JVMOIMMMTKUATC-UHFFFAOYSA-N 0 0 402.469 5.288 50 0 HKAARN CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079068 568427668 /nfs/dbraw/zinc/42/76/68/568427668.db2.gz DGLQEQGDZHCJON-UHFFFAOYSA-N 0 0 402.469 5.233 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079072 568427640 /nfs/dbraw/zinc/42/76/40/568427640.db2.gz HKHHPOQHYMEJBF-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079074 568427625 /nfs/dbraw/zinc/42/76/25/568427625.db2.gz KBFVEAXDAGJXCA-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079076 568427621 /nfs/dbraw/zinc/42/76/21/568427621.db2.gz WTMDFOZIWXQSKL-UHFFFAOYSA-N 0 0 408.860 5.324 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079079 568427659 /nfs/dbraw/zinc/42/76/59/568427659.db2.gz PILFGGMIANMUNQ-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079081 568427637 /nfs/dbraw/zinc/42/76/37/568427637.db2.gz VRNOBPCAAYCYRK-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079083 568427657 /nfs/dbraw/zinc/42/76/57/568427657.db2.gz NWNXMOYUXQOZNE-UHFFFAOYSA-N 0 0 422.887 5.633 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079089 568427684 /nfs/dbraw/zinc/42/76/84/568427684.db2.gz 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CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 ZINC000046086505 568428104 /nfs/dbraw/zinc/42/81/04/568428104.db2.gz NSFVZZFMLFENET-UHFFFAOYSA-N 0 0 404.388 5.792 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 ZINC000046086557 568428108 /nfs/dbraw/zinc/42/81/08/568428108.db2.gz YRWJGAOJNYDZJZ-UHFFFAOYSA-N 0 0 415.287 5.535 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)cc1 ZINC000046086567 568428078 /nfs/dbraw/zinc/42/80/78/568428078.db2.gz IKFLKUTXWIOUJF-UHFFFAOYSA-N 0 0 405.281 6.080 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3nc4c(cc(C)cc4C)s3)no2)cc1 ZINC000046086587 568428120 /nfs/dbraw/zinc/42/81/20/568428120.db2.gz GETFDSCHXNIARL-UHFFFAOYSA-N 0 0 421.522 5.999 50 0 HKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000046086629 568428127 /nfs/dbraw/zinc/42/81/27/568428127.db2.gz CIGFXTKCCFWFOO-UHFFFAOYSA-N 0 0 402.288 5.935 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 ZINC000046086635 568428122 /nfs/dbraw/zinc/42/81/22/568428122.db2.gz UPGBUJOKCCAVCV-UHFFFAOYSA-N 0 0 415.287 5.535 50 0 HKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000046141117 558839908 /nfs/dbraw/zinc/83/99/08/558839908.db2.gz WUAURQPTODRGNP-UHFFFAOYSA-N 0 0 416.399 5.419 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NC4CCCCCC4)c3)nc2)c1 ZINC000046146361 568430593 /nfs/dbraw/zinc/43/05/93/568430593.db2.gz YAZLJCKOQNQOHI-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCCC4=CCCCC4)c3)nc2)c1 ZINC000046146363 568430619 /nfs/dbraw/zinc/43/06/19/568430619.db2.gz JUIBUVBQDYXXPD-UHFFFAOYSA-N 0 0 412.537 5.816 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1 ZINC000046146368 568430604 /nfs/dbraw/zinc/43/06/04/568430604.db2.gz JABYYJDPPISATE-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)nc2)c1 ZINC000046146370 568430629 /nfs/dbraw/zinc/43/06/29/568430629.db2.gz GSERGQCAIUJMQE-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)nc2)c1 ZINC000046146374 568430610 /nfs/dbraw/zinc/43/06/10/568430610.db2.gz OOOIRTHPPYADRE-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)nc2)c1 ZINC000046146376 568430633 /nfs/dbraw/zinc/43/06/33/568430633.db2.gz QIYJUKQICWHOJZ-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)nc2)c1 ZINC000046146380 568430650 /nfs/dbraw/zinc/43/06/50/568430650.db2.gz UZHHCJJPHRTWPZ-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1 ZINC000046146384 568430617 /nfs/dbraw/zinc/43/06/17/568430617.db2.gz SXQZRAPZPTVIKN-HXUWFJFHSA-N 0 0 422.532 5.995 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)cc1 ZINC000046146386 568430622 /nfs/dbraw/zinc/43/06/22/568430622.db2.gz SXQZRAPZPTVIKN-FQEVSTJZSA-N 0 0 422.532 5.995 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000046146397 568430613 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CCc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1 ZINC000046146425 568430611 /nfs/dbraw/zinc/43/06/11/568430611.db2.gz YUQYQNICPVJHOQ-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3)nc2)cc1 ZINC000046146427 568430740 /nfs/dbraw/zinc/43/07/40/568430740.db2.gz SACXSICNXWGPNT-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)c1 ZINC000046146429 568430701 /nfs/dbraw/zinc/43/07/01/568430701.db2.gz YZYUAXNPDZNHLH-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)nc2)cc1 ZINC000046146433 568430700 /nfs/dbraw/zinc/43/07/00/568430700.db2.gz BEJDPTNHZOBTFS-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)nc2)cc1 ZINC000046146435 568430722 /nfs/dbraw/zinc/43/07/22/568430722.db2.gz GGDDZOLQXPYIQG-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccc(C)cc4C)c3)nc2)cc1 ZINC000046146443 568430706 /nfs/dbraw/zinc/43/07/06/568430706.db2.gz MZYIXWFAUVBDAN-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000046146453 568430699 /nfs/dbraw/zinc/43/06/99/568430699.db2.gz OMOHJWTYDWUZBN-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)c1 ZINC000046146455 568430779 /nfs/dbraw/zinc/43/07/79/568430779.db2.gz ZVIWJRICLPWCHP-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000046146459 568430776 /nfs/dbraw/zinc/43/07/76/568430776.db2.gz CTHYIARSBQZICP-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1C ZINC000046146465 568430710 /nfs/dbraw/zinc/43/07/10/568430710.db2.gz UJTXEJHZMKYDSX-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)c(C)c1 ZINC000046146467 568430728 /nfs/dbraw/zinc/43/07/28/568430728.db2.gz UUJYENIFSWFZQT-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(Cn2ccnc2)c1 ZINC000046151116 557017721 /nfs/dbraw/zinc/01/77/21/557017721.db2.gz SBGQDHKPKXGDGE-NRFANRHFSA-N 0 0 407.926 5.166 50 0 HKAARN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(Cn2ccnc2)c1 ZINC000046151118 557017608 /nfs/dbraw/zinc/01/76/08/557017608.db2.gz SBGQDHKPKXGDGE-OAQYLSRUSA-N 0 0 407.926 5.166 50 0 HKAARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1 ZINC000046153326 557094421 /nfs/dbraw/zinc/09/44/21/557094421.db2.gz SSOLNVOMPDQAAS-UHFFFAOYSA-N 0 0 409.335 5.277 50 0 HKAARN Cc1ccc(-c2nc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)cs2)o1 ZINC000046210031 558649204 /nfs/dbraw/zinc/64/92/04/558649204.db2.gz UHPAEYSKVSHLJP-UHFFFAOYSA-N 0 0 418.689 5.006 50 0 HKAARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc2cc(Cl)ccc2o1 ZINC000046246245 558773279 /nfs/dbraw/zinc/77/32/79/558773279.db2.gz NVVSBILHXSZLRZ-UHFFFAOYSA-N 0 0 405.763 5.543 50 0 HKAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC2CCCC2)c1 ZINC000046293033 558800100 /nfs/dbraw/zinc/80/01/00/558800100.db2.gz GVVAPKGXQMCITP-UHFFFAOYSA-N 0 0 409.960 5.031 50 0 HKAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 ZINC000046435209 559133880 /nfs/dbraw/zinc/13/38/80/559133880.db2.gz DXQLGKZXOVYVCU-HDICACEKSA-N 0 0 406.551 5.277 50 0 HKAARN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 ZINC000046435210 559133860 /nfs/dbraw/zinc/13/38/60/559133860.db2.gz DXQLGKZXOVYVCU-ROUUACIJSA-N 0 0 406.551 5.277 50 0 HKAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@@H](C)O1 ZINC000046435211 559133872 /nfs/dbraw/zinc/13/38/72/559133872.db2.gz DXQLGKZXOVYVCU-QZTJIDSGSA-N 0 0 406.551 5.277 50 0 HKAARN Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000046540668 568940277 /nfs/dbraw/zinc/94/02/77/568940277.db2.gz NQTCMPKWUCUPPK-NSHDSACASA-N 0 0 403.410 5.374 50 0 HKAARN Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F ZINC000046540670 568940408 /nfs/dbraw/zinc/94/04/08/568940408.db2.gz NQTCMPKWUCUPPK-LLVKDONJSA-N 0 0 403.410 5.374 50 0 HKAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000046555718 559231411 /nfs/dbraw/zinc/23/14/11/559231411.db2.gz VLPGQIFQLRBZDC-JTQLQIEISA-N 0 0 424.398 6.247 50 0 HKAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000046555720 559231408 /nfs/dbraw/zinc/23/14/08/559231408.db2.gz VLPGQIFQLRBZDC-SNVBAGLBSA-N 0 0 424.398 6.247 50 0 HKAARN Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nnc2-c2ccccc2)cc1 ZINC000046570195 559249229 /nfs/dbraw/zinc/24/92/29/559249229.db2.gz MVZOGWLDVMARNK-UHFFFAOYSA-N 0 0 405.527 5.216 50 0 HKAARN CN(C)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C(F)(F)F)c1 ZINC000046658441 560769751 /nfs/dbraw/zinc/76/97/51/560769751.db2.gz RGECIDFWSVGIRQ-UHFFFAOYSA-N 0 0 412.411 5.852 50 0 HKAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1cc2cccc(Br)c2o1 ZINC000046699042 560818964 /nfs/dbraw/zinc/81/89/64/560818964.db2.gz KGHWFVUHIXLGFB-UHFFFAOYSA-N 0 0 410.227 5.030 50 0 HKAARN C[C@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1cccs1 ZINC000046904923 560878777 /nfs/dbraw/zinc/87/87/77/560878777.db2.gz SMFWLRDYDMQMFX-LBPRGKRZSA-N 0 0 403.301 5.189 50 0 HKAARN C[C@@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1cccs1 ZINC000046904925 560878787 /nfs/dbraw/zinc/87/87/87/560878787.db2.gz SMFWLRDYDMQMFX-GFCCVEGCSA-N 0 0 403.301 5.189 50 0 HKAARN Cc1ccc(NC(=O)NCCn2c3ncccc3nc2-c2ccc(F)cc2)c(Cl)c1 ZINC000046913264 560878755 /nfs/dbraw/zinc/87/87/55/560878755.db2.gz PEUNQPFJKXNFRJ-UHFFFAOYSA-N 0 0 423.879 5.021 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NCCn1c2ncccc2nc1-c1ccc(F)cc1 ZINC000046913279 560878784 /nfs/dbraw/zinc/87/87/84/560878784.db2.gz NPQXPKQQQBTJCZ-UHFFFAOYSA-N 0 0 423.879 5.021 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NCCn1c2ncccc2nc1-c1ccc(F)cc1 ZINC000046913290 560878785 /nfs/dbraw/zinc/87/87/85/560878785.db2.gz RQKFCIBDVONRQR-UHFFFAOYSA-N 0 0 423.879 5.021 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000046913381 560878780 /nfs/dbraw/zinc/87/87/80/560878780.db2.gz XHYMDWSSPKZSGZ-UHFFFAOYSA-N 0 0 419.916 5.190 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000046913393 560878761 /nfs/dbraw/zinc/87/87/61/560878761.db2.gz NZEPOUIZKZEVOG-UHFFFAOYSA-N 0 0 419.916 5.190 50 0 HKAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000046913405 560878864 /nfs/dbraw/zinc/87/88/64/560878864.db2.gz WWNVZXQIAYCJLS-UHFFFAOYSA-N 0 0 419.916 5.190 50 0 HKAARN CCc1c(C)nc2nc(-c3ccco3)nn2c1Nc1ccc(Br)c(C)c1 ZINC000046913755 560878997 /nfs/dbraw/zinc/87/89/97/560878997.db2.gz GYHDQZSFWIVVAH-UHFFFAOYSA-N 0 0 412.291 5.070 50 0 HKAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000046914103 560879154 /nfs/dbraw/zinc/87/91/54/560879154.db2.gz REIZNYUBSBLLAQ-UHFFFAOYSA-N 0 0 407.783 5.417 50 0 HKAARN CCN(CCCNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC)c1ccccc1 ZINC000046914156 560879136 /nfs/dbraw/zinc/87/91/36/560879136.db2.gz XPENGZUUXVOJKJ-UHFFFAOYSA-N 0 0 413.905 5.110 50 0 HKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Br)cc1F ZINC000046916105 560879370 /nfs/dbraw/zinc/87/93/70/560879370.db2.gz JZLDYEHDGVUIEX-UHFFFAOYSA-N 0 0 409.642 5.457 50 0 HKAARN CC(=O)c1sc(NC(=O)c2nc(-c3cccs3)oc2C)nc1-c1ccccc1 ZINC000047075554 560880044 /nfs/dbraw/zinc/88/00/44/560880044.db2.gz UMKWUYRSIFJRKK-UHFFFAOYSA-N 0 0 409.492 5.290 50 0 HKAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000047157678 560882782 /nfs/dbraw/zinc/88/27/82/560882782.db2.gz SGAKCHHNHMKKAH-UHFFFAOYSA-N 0 0 413.477 5.438 50 0 HKAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C(F)(F)F)ccc1Cl ZINC000047157775 560882860 /nfs/dbraw/zinc/88/28/60/560882860.db2.gz SRLXPAMYQDJMAI-UHFFFAOYSA-N 0 0 409.795 5.531 50 0 HKAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000047157901 560882933 /nfs/dbraw/zinc/88/29/33/560882933.db2.gz AHLWUCSYCXKOFG-UHFFFAOYSA-N 0 0 409.795 5.531 50 0 HKAARN Cc1cnc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)s1 ZINC000047197033 560884424 /nfs/dbraw/zinc/88/44/24/560884424.db2.gz DPTMHRZQVATJON-UHFFFAOYSA-N 0 0 406.330 5.013 50 0 HKAARN CCCOc1c(Cl)cc(C(=O)Nc2cc(-c3nnco3)ccc2C)cc1OCC ZINC000047320663 560886304 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O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000047627395 560896487 /nfs/dbraw/zinc/89/64/87/560896487.db2.gz NRCAOKMTUMDDNM-LEWJYISDSA-N 0 0 400.544 5.203 50 0 HKAARN O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@H]1c1ccsc1 ZINC000047627396 560896523 /nfs/dbraw/zinc/89/65/23/560896523.db2.gz NRCAOKMTUMDDNM-SFTDATJTSA-N 0 0 400.544 5.203 50 0 HKAARN O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000047627397 560896470 /nfs/dbraw/zinc/89/64/70/560896470.db2.gz NRCAOKMTUMDDNM-NHCUHLMSSA-N 0 0 400.544 5.203 50 0 HKAARN O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@H]1c1ccsc1 ZINC000047627398 560896454 /nfs/dbraw/zinc/89/64/54/560896454.db2.gz NRCAOKMTUMDDNM-RTWAWAEBSA-N 0 0 400.544 5.203 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000047698600 568430857 /nfs/dbraw/zinc/43/08/57/568430857.db2.gz JJYCDCONSQLFML-UHFFFAOYSA-N 0 0 400.494 5.303 50 0 HKAARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000047911818 568431567 /nfs/dbraw/zinc/43/15/67/568431567.db2.gz RORBYTXOBVSZDT-GFCCVEGCSA-N 0 0 415.515 5.352 50 0 HKAARN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000047911819 568431532 /nfs/dbraw/zinc/43/15/32/568431532.db2.gz RORBYTXOBVSZDT-LBPRGKRZSA-N 0 0 415.515 5.352 50 0 HKAARN CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000047914317 568431604 /nfs/dbraw/zinc/43/16/04/568431604.db2.gz RSQXAHKAVDAMDT-UHFFFAOYSA-N 0 0 417.387 5.215 50 0 HKAARN CN(Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000047974461 568431700 /nfs/dbraw/zinc/43/17/00/568431700.db2.gz XZSADLPUYGUJAM-UHFFFAOYSA-N 0 0 408.420 5.325 50 0 HKAARN COCc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)sc2cccc(F)c21 ZINC000048011196 568431901 /nfs/dbraw/zinc/43/19/01/568431901.db2.gz LMCZMQPFLFWPHE-UHFFFAOYSA-N 0 0 418.515 5.051 50 0 HKAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000048065836 568431798 /nfs/dbraw/zinc/43/17/98/568431798.db2.gz GHLRPOLVQJHAON-NAVGAYGYSA-N 0 0 408.498 5.031 50 0 HKAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000048065837 568431847 /nfs/dbraw/zinc/43/18/47/568431847.db2.gz GHLRPOLVQJHAON-KYIYGJGQSA-N 0 0 408.498 5.031 50 0 HKAARN CN(c1ccccc1)c1ccccc1NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000048083625 568432057 /nfs/dbraw/zinc/43/20/57/568432057.db2.gz RHJDLVKGTAZKGC-QFIPXVFZSA-N 0 0 416.525 5.063 50 0 HKAARN CN(c1ccccc1)c1ccccc1NC(=O)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000048083627 568432085 /nfs/dbraw/zinc/43/20/85/568432085.db2.gz RHJDLVKGTAZKGC-JOCHJYFZSA-N 0 0 416.525 5.063 50 0 HKAARN Cc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000048149663 568432196 /nfs/dbraw/zinc/43/21/96/568432196.db2.gz PVYCFUSOACVTOI-UHFFFAOYSA-N 0 0 415.337 5.266 50 0 HKAARN Cc1nnc([C@@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 ZINC000048186599 568432420 /nfs/dbraw/zinc/43/24/20/568432420.db2.gz PRMKJQNZQIFXMJ-GFCCVEGCSA-N 0 0 418.444 5.648 50 0 HKAARN Cc1nnc([C@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 ZINC000048186600 568432459 /nfs/dbraw/zinc/43/24/59/568432459.db2.gz PRMKJQNZQIFXMJ-LBPRGKRZSA-N 0 0 418.444 5.648 50 0 HKAARN CCOC(=O)N[C@@](c1c[nH]c2ccccc21)(c1nc2ccccc2s1)C(F)(F)F ZINC000048229584 568433394 /nfs/dbraw/zinc/43/33/94/568433394.db2.gz MZNAFXARNLHWCN-IBGZPJMESA-N 0 0 419.428 5.330 50 0 HKAARN CCOC(=O)N[C@](c1c[nH]c2ccccc21)(c1nc2ccccc2s1)C(F)(F)F ZINC000048229588 568433260 /nfs/dbraw/zinc/43/32/60/568433260.db2.gz MZNAFXARNLHWCN-LJQANCHMSA-N 0 0 419.428 5.330 50 0 HKAARN COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1N1CCCCC1=O ZINC000048231364 568433464 /nfs/dbraw/zinc/43/34/64/568433464.db2.gz TYOWYGKADNROCW-HXUWFJFHSA-N 0 0 415.559 5.183 50 0 HKAARN COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1N1CCCCC1=O ZINC000048231369 568433411 /nfs/dbraw/zinc/43/34/11/568433411.db2.gz TYOWYGKADNROCW-FQEVSTJZSA-N 0 0 415.559 5.183 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(Sc3ncc(C(F)(F)F)cc3Cl)o2)c1 ZINC000048236666 568432976 /nfs/dbraw/zinc/43/29/76/568432976.db2.gz SYUBTHOKZBNMTE-UHFFFAOYSA-N 0 0 415.824 5.484 50 0 HKAARN Fc1ccc(-n2nc(SCc3ccccc3OC(F)F)sc2=S)cc1 ZINC000048236824 568432935 /nfs/dbraw/zinc/43/29/35/568432935.db2.gz WYJISVFZQIKUQJ-UHFFFAOYSA-N 0 0 400.472 5.696 50 0 HKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(C2SCCCS2)cc1 ZINC000048236882 568432956 /nfs/dbraw/zinc/43/29/56/568432956.db2.gz WLLOYHVSCNCPQT-UHFFFAOYSA-N 0 0 406.576 6.551 50 0 HKAARN CCCCCc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000048237441 568433079 /nfs/dbraw/zinc/43/30/79/568433079.db2.gz JXVSFHLCDNVUFX-UHFFFAOYSA-N 0 0 423.294 5.041 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000048250168 568434209 /nfs/dbraw/zinc/43/42/09/568434209.db2.gz VWMPIYDTLQYWLN-UHFFFAOYSA-N 0 0 411.908 5.015 50 0 HKAARN CCn1c(Sc2nc(C)nc3sc4c(c32)CCCC4)nnc1-c1ccoc1C ZINC000048250798 568434242 /nfs/dbraw/zinc/43/42/42/568434242.db2.gz XEMPAKADATYCGX-UHFFFAOYSA-N 0 0 411.556 5.210 50 0 HKAARN O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F ZINC000048252104 568434293 /nfs/dbraw/zinc/43/42/93/568434293.db2.gz VSDGJKIBEFNFHQ-KRWDZBQOSA-N 0 0 413.490 5.296 50 0 HKAARN O[C@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F ZINC000048252106 568434288 /nfs/dbraw/zinc/43/42/88/568434288.db2.gz VSDGJKIBEFNFHQ-QGZVFWFLSA-N 0 0 413.490 5.296 50 0 HKAARN Cc1cc2cc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ccc2[nH]1 ZINC000048261179 568433590 /nfs/dbraw/zinc/43/35/90/568433590.db2.gz MLUUPRLHNBWYDG-UHFFFAOYSA-N 0 0 411.383 5.935 50 0 HKAARN Clc1ccccc1OCc1nnc(Sc2ncnc3sccc32)n1C1CC1 ZINC000048264032 568433772 /nfs/dbraw/zinc/43/37/72/568433772.db2.gz JWNMHXRQCRSCDH-UHFFFAOYSA-N 0 0 415.931 5.001 50 0 HKAARN CCOc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(-c2ccccc2)c1OC ZINC000048265053 568433896 /nfs/dbraw/zinc/43/38/96/568433896.db2.gz FDFAJSLPVMSRSK-OAQYLSRUSA-N 0 0 403.478 5.015 50 0 HKAARN CCOc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(-c2ccccc2)c1OC ZINC000048265055 568433980 /nfs/dbraw/zinc/43/39/80/568433980.db2.gz FDFAJSLPVMSRSK-NRFANRHFSA-N 0 0 403.478 5.015 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000048265662 568433906 /nfs/dbraw/zinc/43/39/06/568433906.db2.gz AVMNGAHYSMIVKH-UHFFFAOYSA-N 0 0 413.271 5.206 50 0 HKAARN Cc1ccc2nc(C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)c2c1 ZINC000048265744 568433936 /nfs/dbraw/zinc/43/39/36/568433936.db2.gz COSACZQGZDIAMM-UHFFFAOYSA-N 0 0 403.432 5.372 50 0 HKAARN Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000048272814 568434091 /nfs/dbraw/zinc/43/40/91/568434091.db2.gz XTIJSMAIPDEUFO-FDDCHVKYSA-N 0 0 402.494 5.025 50 0 HKAARN Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000048272817 568434086 /nfs/dbraw/zinc/43/40/86/568434086.db2.gz XTIJSMAIPDEUFO-MBSDFSHPSA-N 0 0 402.494 5.025 50 0 HKAARN Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000048272820 568434068 /nfs/dbraw/zinc/43/40/68/568434068.db2.gz XTIJSMAIPDEUFO-WZONZLPQSA-N 0 0 402.494 5.025 50 0 HKAARN Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000048272823 568434029 /nfs/dbraw/zinc/43/40/29/568434029.db2.gz XTIJSMAIPDEUFO-JPYJTQIMSA-N 0 0 402.494 5.025 50 0 HKAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)C(C)C)c12 ZINC000048273190 568434092 /nfs/dbraw/zinc/43/40/92/568434092.db2.gz WSASMMJQKPVZOH-UHFFFAOYSA-N 0 0 407.562 5.064 50 0 HKAARN O=C(Nc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1F)c1ccsc1 ZINC000048273291 568434084 /nfs/dbraw/zinc/43/40/84/568434084.db2.gz YPLGVGYVBXTDQJ-UHFFFAOYSA-N 0 0 410.804 5.323 50 0 HKAARN Cc1c(C(=O)Nc2cccc(-n3cccn3)c2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000048274936 568435535 /nfs/dbraw/zinc/43/55/35/568435535.db2.gz NGVNAMMQEABKSQ-UHFFFAOYSA-N 0 0 405.527 5.044 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3c(C)noc3n2)s1 ZINC000048276760 568435616 /nfs/dbraw/zinc/43/56/16/568435616.db2.gz MKDVEWFYQIJHOY-UHFFFAOYSA-N 0 0 406.511 5.014 50 0 HKAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000048277452 568435620 /nfs/dbraw/zinc/43/56/20/568435620.db2.gz RPFPFIIMNUKJEN-UHFFFAOYSA-N 0 0 404.535 5.214 50 0 HKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 ZINC000048279330 568435828 /nfs/dbraw/zinc/43/58/28/568435828.db2.gz ZMMIKJNAXKBBNQ-UHFFFAOYSA-N 0 0 411.433 5.131 50 0 HKAARN COc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1NC(=O)OC(C)(C)C ZINC000048285873 568435973 /nfs/dbraw/zinc/43/59/73/568435973.db2.gz FGVGQRWMKYZLHY-UHFFFAOYSA-N 0 0 415.471 5.011 50 0 HKAARN COc1ccc([C@H](NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C2CC2)cc1 ZINC000048286030 568436032 /nfs/dbraw/zinc/43/60/32/568436032.db2.gz WTSMIKNEUDMQCN-JOCHJYFZSA-N 0 0 406.530 5.025 50 0 HKAARN COc1ccc([C@@H](NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C2CC2)cc1 ZINC000048286031 568436049 /nfs/dbraw/zinc/43/60/49/568436049.db2.gz WTSMIKNEUDMQCN-QFIPXVFZSA-N 0 0 406.530 5.025 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 ZINC000048286621 568436157 /nfs/dbraw/zinc/43/61/57/568436157.db2.gz SVEFDQYXMJJEKJ-UHFFFAOYSA-N 0 0 405.404 5.069 50 0 HKAARN O=C(N1CC=C(c2c[nH]c3ccccc32)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000048286681 568434553 /nfs/dbraw/zinc/43/45/53/568434553.db2.gz ZVJUGLPPEOJYHS-UHFFFAOYSA-N 0 0 422.532 5.648 50 0 HKAARN Brc1ccccc1-c1nnc(CN(Cc2ccco2)C2CCCC2)o1 ZINC000048286888 568434540 /nfs/dbraw/zinc/43/45/40/568434540.db2.gz ZNMPOGFWJXPCJQ-UHFFFAOYSA-N 0 0 402.292 5.037 50 0 HKAARN Cc1ccsc1CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000048286935 568434561 /nfs/dbraw/zinc/43/45/61/568434561.db2.gz CUBGIODDIBEJJR-UHFFFAOYSA-N 0 0 406.482 5.790 50 0 HKAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2sc3sccc3c2Cl)CC1 ZINC000048288193 568434737 /nfs/dbraw/zinc/43/47/37/568434737.db2.gz BRUHYZDCWOADDG-UHFFFAOYSA-N 0 0 404.944 5.107 50 0 HKAARN CCCc1ccc([C@H](NC(=O)c2cn(C)nc2-c2ccncc2)c2cccs2)cc1 ZINC000048288603 568434837 /nfs/dbraw/zinc/43/48/37/568434837.db2.gz JRTYQLVZCLQBSL-QHCPKHFHSA-N 0 0 416.550 5.016 50 0 HKAARN CCCc1ccc([C@@H](NC(=O)c2cn(C)nc2-c2ccncc2)c2cccs2)cc1 ZINC000048288605 568434849 /nfs/dbraw/zinc/43/48/49/568434849.db2.gz JRTYQLVZCLQBSL-HSZRJFAPSA-N 0 0 416.550 5.016 50 0 HKAARN CCOC(=O)c1ccoc1CNc1cc(Cl)cc(Br)c1OC(F)F ZINC000048288879 568434833 /nfs/dbraw/zinc/43/48/33/568434833.db2.gz VCAZWAPQCVJQDI-UHFFFAOYSA-N 0 0 424.625 5.086 50 0 HKAARN COc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc(Cl)c1OC(C)C ZINC000048288996 568434938 /nfs/dbraw/zinc/43/49/38/568434938.db2.gz RBYPIWYSJXAWBB-UHFFFAOYSA-N 0 0 403.693 5.277 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3OC)nn2-c2ccccc2)cc1 ZINC000048289111 568434953 /nfs/dbraw/zinc/43/49/53/568434953.db2.gz AHOPYBDCWHTOPB-UHFFFAOYSA-N 0 0 413.477 5.117 50 0 HKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000048289831 568435133 /nfs/dbraw/zinc/43/51/33/568435133.db2.gz KOQAXWYIUSXPTI-UHFFFAOYSA-N 0 0 404.558 5.308 50 0 HKAARN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCc2ccccc21 ZINC000048290207 568435085 /nfs/dbraw/zinc/43/50/85/568435085.db2.gz KSSWMIGOQAWUTL-UHFFFAOYSA-N 0 0 409.283 5.229 50 0 HKAARN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000048290752 568435217 /nfs/dbraw/zinc/43/52/17/568435217.db2.gz RWZFDIABJLCWRU-UHFFFAOYSA-N 0 0 402.538 5.207 50 0 HKAARN O=C(CSc1cccc2cccc(Cl)c21)NCc1cn2cc(Cl)ccc2n1 ZINC000048299036 568437145 /nfs/dbraw/zinc/43/71/45/568437145.db2.gz CUQFXKWQFRJGBO-UHFFFAOYSA-N 0 0 416.333 5.203 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000048299679 568437320 /nfs/dbraw/zinc/43/73/20/568437320.db2.gz KOVJBVFXVXPPFQ-NRFANRHFSA-N 0 0 403.482 5.087 50 0 HKAARN O=C(Nc1ccccc1Oc1ccccc1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000048299681 568437309 /nfs/dbraw/zinc/43/73/09/568437309.db2.gz KOVJBVFXVXPPFQ-OAQYLSRUSA-N 0 0 403.482 5.087 50 0 HKAARN CC(C)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000048300433 568437453 /nfs/dbraw/zinc/43/74/53/568437453.db2.gz DRIKHQLVWCJXFS-UHFFFAOYSA-N 0 0 413.525 5.125 50 0 HKAARN CCn1cnnc1CNc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c21 ZINC000048300568 568437476 /nfs/dbraw/zinc/43/74/76/568437476.db2.gz NKTBQSOLODSOTF-UHFFFAOYSA-N 0 0 412.522 5.249 50 0 HKAARN O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(F)c(Cl)cc1Cl ZINC000048301402 568437532 /nfs/dbraw/zinc/43/75/32/568437532.db2.gz VKIYPERXLOCBTH-UHFFFAOYSA-N 0 0 409.219 5.389 50 0 HKAARN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000048302112 568437549 /nfs/dbraw/zinc/43/75/49/568437549.db2.gz SWFDNYJGTUXKNF-LEWJYISDSA-N 0 0 400.547 5.662 50 0 HKAARN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000048302113 568437588 /nfs/dbraw/zinc/43/75/88/568437588.db2.gz SWFDNYJGTUXKNF-SFTDATJTSA-N 0 0 400.547 5.662 50 0 HKAARN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000048302114 568437534 /nfs/dbraw/zinc/43/75/34/568437534.db2.gz SWFDNYJGTUXKNF-NHCUHLMSSA-N 0 0 400.547 5.662 50 0 HKAARN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000048302115 568437510 /nfs/dbraw/zinc/43/75/10/568437510.db2.gz SWFDNYJGTUXKNF-RTWAWAEBSA-N 0 0 400.547 5.662 50 0 HKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000048303004 568437925 /nfs/dbraw/zinc/43/79/25/568437925.db2.gz IMBOVRQIWZIHCB-UHFFFAOYSA-N 0 0 415.468 5.281 50 0 HKAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000048303043 568437976 /nfs/dbraw/zinc/43/79/76/568437976.db2.gz QUSRMGGVVPHVPU-UHFFFAOYSA-N 0 0 413.477 5.021 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 ZINC000048303670 568436293 /nfs/dbraw/zinc/43/62/93/568436293.db2.gz OFSWKXMRWLNFCC-QHCPKHFHSA-N 0 0 424.460 5.048 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 ZINC000048303672 568436256 /nfs/dbraw/zinc/43/62/56/568436256.db2.gz OFSWKXMRWLNFCC-HSZRJFAPSA-N 0 0 424.460 5.048 50 0 HKAARN O=c1c2ccccc2c(-c2cccs2)nn1Cc1csc(-c2ccc(F)cc2)n1 ZINC000048304153 568436211 /nfs/dbraw/zinc/43/62/11/568436211.db2.gz PSERMELYXLKTIE-UHFFFAOYSA-N 0 0 419.506 5.436 50 0 HKAARN Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c(OCc2ccccc2)c1 ZINC000048309849 568436493 /nfs/dbraw/zinc/43/64/93/568436493.db2.gz WHYBIZAELGNGGV-UHFFFAOYSA-N 0 0 401.441 5.151 50 0 HKAARN Cc1ccc2nc(C)c(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)cc2c1 ZINC000048309858 568436490 /nfs/dbraw/zinc/43/64/90/568436490.db2.gz JLVVVDRCGRCAQV-UHFFFAOYSA-N 0 0 401.441 5.108 50 0 HKAARN C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000048310066 568436566 /nfs/dbraw/zinc/43/65/66/568436566.db2.gz RMENKGVBZQTNFU-UWVGGRQHSA-N 0 0 406.140 6.422 50 0 HKAARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000048310068 568436509 /nfs/dbraw/zinc/43/65/09/568436509.db2.gz RMENKGVBZQTNFU-AOOOYVTPSA-N 0 0 406.140 6.422 50 0 HKAARN C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000048310070 568436507 /nfs/dbraw/zinc/43/65/07/568436507.db2.gz RMENKGVBZQTNFU-NXEZZACHSA-N 0 0 406.140 6.422 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000048311152 568436967 /nfs/dbraw/zinc/43/69/67/568436967.db2.gz XRLKANYASKFKJI-CQSZACIVSA-N 0 0 415.921 5.153 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000048311154 568436933 /nfs/dbraw/zinc/43/69/33/568436933.db2.gz XRLKANYASKFKJI-AWEZNQCLSA-N 0 0 415.921 5.153 50 0 HKAARN OCc1ccccc1CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000048311378 568436964 /nfs/dbraw/zinc/43/69/64/568436964.db2.gz PYEJJKODRYIDIH-UHFFFAOYSA-N 0 0 424.529 5.525 50 0 HKAARN CC(=O)N(c1nc(CN2CCCc3cc(C)cc(F)c32)cs1)c1ccc(F)cc1 ZINC000048311555 568436926 /nfs/dbraw/zinc/43/69/26/568436926.db2.gz YROSHMVGDFHSLV-UHFFFAOYSA-N 0 0 413.493 5.367 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000048312354 568439016 /nfs/dbraw/zinc/43/90/16/568439016.db2.gz JLULEXNAYGQQFK-UHFFFAOYSA-N 0 0 401.938 5.184 50 0 HKAARN CCOc1c(Cl)cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC ZINC000048313292 568439209 /nfs/dbraw/zinc/43/92/09/568439209.db2.gz WKLDTQJFSJKJHX-UHFFFAOYSA-N 0 0 424.928 5.293 50 0 HKAARN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000048313301 568439188 /nfs/dbraw/zinc/43/91/88/568439188.db2.gz KRGCZZCJLOMRGZ-UHFFFAOYSA-N 0 0 420.557 5.530 50 0 HKAARN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000048324649 568438422 /nfs/dbraw/zinc/43/84/22/568438422.db2.gz NEQBGBBXOPXWNE-UHFFFAOYSA-N 0 0 411.855 5.023 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1Cl ZINC000048325288 568438562 /nfs/dbraw/zinc/43/85/62/568438562.db2.gz HJYJYITYTVVKBM-UHFFFAOYSA-N 0 0 400.809 5.944 50 0 HKAARN CCC1CCC(N(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C2CC2)CC1 ZINC000048325562 568438717 /nfs/dbraw/zinc/43/87/17/568438717.db2.gz XMKQKMKFIFNAOQ-UHFFFAOYSA-N 0 0 414.571 5.304 50 0 HKAARN O=C(Nc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1)c1ccccc1Cl ZINC000048325687 568438656 /nfs/dbraw/zinc/43/86/56/568438656.db2.gz XWFMZDSTQLNDCN-WQRHYEAKSA-N 0 0 409.272 5.738 50 0 HKAARN COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1NC(=O)OC(C)(C)C ZINC000048325754 568438636 /nfs/dbraw/zinc/43/86/36/568438636.db2.gz ZNEGUUOWJDNUNG-UHFFFAOYSA-N 0 0 415.471 5.011 50 0 HKAARN Cc1nnc(SCc2ccc(OCc3ccccn3)cc2)n1-c1ccccc1C ZINC000048325825 568438870 /nfs/dbraw/zinc/43/88/70/568438870.db2.gz CQNVPAFZBROBSJ-UHFFFAOYSA-N 0 0 402.523 5.150 50 0 HKAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(-c2ccco2)on1 ZINC000048325923 568438807 /nfs/dbraw/zinc/43/88/07/568438807.db2.gz HJADMGHXHBDQBZ-UHFFFAOYSA-N 0 0 408.285 5.092 50 0 HKAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000048326241 568439163 /nfs/dbraw/zinc/43/91/63/568439163.db2.gz MUNIXELYMNGHQF-UHFFFAOYSA-N 0 0 410.489 5.492 50 0 HKAARN CCCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000048326353 568439734 /nfs/dbraw/zinc/43/97/34/568439734.db2.gz PWPKSKXVRVELOX-UHFFFAOYSA-N 0 0 411.452 5.070 50 0 HKAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000048326504 568439761 /nfs/dbraw/zinc/43/97/61/568439761.db2.gz CUPRCHSGRKDUMV-UHFFFAOYSA-N 0 0 408.527 5.440 50 0 HKAARN O=C(CN1CCC[C@@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326562 568439792 /nfs/dbraw/zinc/43/97/92/568439792.db2.gz WTZNXJPQQKZZAK-MRXNPFEDSA-N 0 0 402.869 5.134 50 0 HKAARN O=C(CN1CCC[C@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048326563 568439767 /nfs/dbraw/zinc/43/97/67/568439767.db2.gz WTZNXJPQQKZZAK-INIZCTEOSA-N 0 0 402.869 5.134 50 0 HKAARN Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c2ccc(F)cc2n1 ZINC000048326643 568439799 /nfs/dbraw/zinc/43/97/99/568439799.db2.gz FJROXPHJFBMBES-UHFFFAOYSA-N 0 0 407.395 5.203 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1Br ZINC000048326872 568439707 /nfs/dbraw/zinc/43/97/07/568439707.db2.gz IULQDTCCGSYKIG-UHFFFAOYSA-N 0 0 405.317 5.652 50 0 HKAARN O=C1C(=Cc2ccc(-c3nc4ccccc4s3)o2)NC(=S)N1c1ccccc1F ZINC000048331388 568439838 /nfs/dbraw/zinc/43/98/38/568439838.db2.gz ZCVDDCACUHXGMQ-PTNGSMBKSA-N 0 0 421.478 5.369 50 0 HKAARN COc1ccc(C(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC000048331745 568439923 /nfs/dbraw/zinc/43/99/23/568439923.db2.gz RZECPXWSLABXJI-MSOLQXFVSA-N 0 0 421.459 5.278 50 0 HKAARN COc1ccc(C(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC000048331746 568439882 /nfs/dbraw/zinc/43/98/82/568439882.db2.gz RZECPXWSLABXJI-ROUUACIJSA-N 0 0 421.459 5.278 50 0 HKAARN COc1ccc(C(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC000048331747 568439862 /nfs/dbraw/zinc/43/98/62/568439862.db2.gz RZECPXWSLABXJI-QZTJIDSGSA-N 0 0 421.459 5.278 50 0 HKAARN COc1ccc(C(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 ZINC000048331748 568439876 /nfs/dbraw/zinc/43/98/76/568439876.db2.gz RZECPXWSLABXJI-ZWKOTPCHSA-N 0 0 421.459 5.278 50 0 HKAARN CCCOc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OCCC ZINC000048332065 568439884 /nfs/dbraw/zinc/43/98/84/568439884.db2.gz FTDAWPMHQMINPC-UHFFFAOYSA-N 0 0 424.541 5.391 50 0 HKAARN O=c1c(C(F)(F)F)cccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000048332159 568439978 /nfs/dbraw/zinc/43/99/78/568439978.db2.gz QNUDFIODFUFMKE-UHFFFAOYSA-N 0 0 404.335 5.058 50 0 HKAARN COc1ccc(C)cc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000048332622 568439298 /nfs/dbraw/zinc/43/92/98/568439298.db2.gz PCFPAMXARPNTNB-QHCPKHFHSA-N 0 0 411.954 6.118 50 0 HKAARN COc1ccc(C)cc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000048332623 568439289 /nfs/dbraw/zinc/43/92/89/568439289.db2.gz PCFPAMXARPNTNB-HSZRJFAPSA-N 0 0 411.954 6.118 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000048333063 568439480 /nfs/dbraw/zinc/43/94/80/568439480.db2.gz ZUSWAWJAVSDHMP-UHFFFAOYSA-N 0 0 411.954 6.118 50 0 HKAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c2ccccc12 ZINC000048333172 568439454 /nfs/dbraw/zinc/43/94/54/568439454.db2.gz WSAPCOZYDLCXMS-UHFFFAOYSA-N 0 0 412.898 6.087 50 0 HKAARN CC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 ZINC000048333314 568439391 /nfs/dbraw/zinc/43/93/91/568439391.db2.gz QHFAYJGOOGFMQW-UHFFFAOYSA-N 0 0 411.255 5.091 50 0 HKAARN O=C(c1ccc(COc2cccc(Br)c2)o1)N(Cc1ccco1)C1CC1 ZINC000048333716 568439603 /nfs/dbraw/zinc/43/96/03/568439603.db2.gz SSJAYGGYIICZMX-UHFFFAOYSA-N 0 0 416.271 5.019 50 0 HKAARN Cn1c2ccc(Cl)cc2nc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000048333997 568439739 /nfs/dbraw/zinc/43/97/39/568439739.db2.gz MKXGZQMCESDMHK-UHFFFAOYSA-N 0 0 400.718 5.264 50 0 HKAARN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1SCc1cscn1 ZINC000048339831 568440143 /nfs/dbraw/zinc/44/01/43/568440143.db2.gz ADLUFISTNVFQJQ-UHFFFAOYSA-N 0 0 422.579 5.017 50 0 HKAARN COc1cccc([C@H]2CCCN2C(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1 ZINC000048342386 568440524 /nfs/dbraw/zinc/44/05/24/568440524.db2.gz NZMHSANVOOXUAA-HXUWFJFHSA-N 0 0 410.514 5.167 50 0 HKAARN COc1cccc([C@@H]2CCCN2C(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1 ZINC000048342388 568440521 /nfs/dbraw/zinc/44/05/21/568440521.db2.gz NZMHSANVOOXUAA-FQEVSTJZSA-N 0 0 410.514 5.167 50 0 HKAARN OCc1ccccc1CNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000048342649 568440514 /nfs/dbraw/zinc/44/05/14/568440514.db2.gz SDSNJCJCZMPPEX-UHFFFAOYSA-N 0 0 424.529 5.525 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1Cl ZINC000048342672 568440498 /nfs/dbraw/zinc/44/04/98/568440498.db2.gz FJLUTKYMDZJQGK-UHFFFAOYSA-N 0 0 401.702 6.232 50 0 HKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl)N1CCC(CO)CC1 ZINC000048342720 568440639 /nfs/dbraw/zinc/44/06/39/568440639.db2.gz PTPZCDHMAVQSDZ-UHFFFAOYSA-N 0 0 402.966 5.044 50 0 HKAARN CC(=O)Nc1cccc(-n2c(S[C@@H]3CCCc4ccccc43)nnc2C2CC2)c1 ZINC000048345199 568440889 /nfs/dbraw/zinc/44/08/89/568440889.db2.gz MBSJONGFPYGFTM-OAQYLSRUSA-N 0 0 404.539 5.273 50 0 HKAARN CC(=O)Nc1cccc(-n2c(S[C@H]3CCCc4ccccc43)nnc2C2CC2)c1 ZINC000048345201 568440908 /nfs/dbraw/zinc/44/09/08/568440908.db2.gz MBSJONGFPYGFTM-NRFANRHFSA-N 0 0 404.539 5.273 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccccc4)o3)n2)cc1C ZINC000048346204 525780483 /nfs/dbraw/zinc/78/04/83/525780483.db2.gz BBZNDBCNULHKQQ-UHFFFAOYSA-N 0 0 404.495 5.048 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N(Cc1ccccc1)c1ccccn1 ZINC000048353829 526658611 /nfs/dbraw/zinc/65/86/11/526658611.db2.gz VLKXERYUSPFXNL-UHFFFAOYSA-N 0 0 417.896 5.556 50 0 HKAARN Cc1ccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)cn1 ZINC000048354216 568440965 /nfs/dbraw/zinc/44/09/65/568440965.db2.gz LCAOTVNZVSMWAS-UHFFFAOYSA-N 0 0 405.445 5.038 50 0 HKAARN Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000048354638 568441065 /nfs/dbraw/zinc/44/10/65/568441065.db2.gz UXKAMUJZOHIDQU-HNNXBMFYSA-N 0 0 407.539 5.040 50 0 HKAARN Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000048354639 568441017 /nfs/dbraw/zinc/44/10/17/568441017.db2.gz UXKAMUJZOHIDQU-OAHLLOKOSA-N 0 0 407.539 5.040 50 0 HKAARN O=C(CN1CCC[C@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355793 568441568 /nfs/dbraw/zinc/44/15/68/568441568.db2.gz HBPWENZHOXDFDY-HNNXBMFYSA-N 0 0 402.869 5.134 50 0 HKAARN O=C(CN1CCC[C@@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000048355794 568441500 /nfs/dbraw/zinc/44/15/00/568441500.db2.gz HBPWENZHOXDFDY-OAHLLOKOSA-N 0 0 402.869 5.134 50 0 HKAARN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1OC ZINC000048356111 568441185 /nfs/dbraw/zinc/44/11/85/568441185.db2.gz GJUVQGVHFUUFBF-UHFFFAOYSA-N 0 0 407.470 5.017 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc2ccccc21 ZINC000048356686 568441278 /nfs/dbraw/zinc/44/12/78/568441278.db2.gz NRDNFPHUBKHTTE-UHFFFAOYSA-N 0 0 413.521 5.070 50 0 HKAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000048362434 568441614 /nfs/dbraw/zinc/44/16/14/568441614.db2.gz DGTLJMKUAREVQN-BTYIYWSLSA-N 0 0 407.514 5.118 50 0 HKAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000048362437 568441603 /nfs/dbraw/zinc/44/16/03/568441603.db2.gz DGTLJMKUAREVQN-VFNWGFHPSA-N 0 0 407.514 5.118 50 0 HKAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000048362440 568441677 /nfs/dbraw/zinc/44/16/77/568441677.db2.gz DGTLJMKUAREVQN-YCRPNKLZSA-N 0 0 407.514 5.118 50 0 HKAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000048362443 568441616 /nfs/dbraw/zinc/44/16/16/568441616.db2.gz DGTLJMKUAREVQN-QVKFZJNVSA-N 0 0 407.514 5.118 50 0 HKAARN C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000048363113 568441803 /nfs/dbraw/zinc/44/18/03/568441803.db2.gz VHZXEOFWYWZBRO-HNNXBMFYSA-N 0 0 400.400 5.170 50 0 HKAARN C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000048363116 568441762 /nfs/dbraw/zinc/44/17/62/568441762.db2.gz VHZXEOFWYWZBRO-OAHLLOKOSA-N 0 0 400.400 5.170 50 0 HKAARN O=C(Nc1ccc(Cl)cc1C(=O)NC1CC1)c1sc2cc(F)ccc2c1Cl ZINC000048365324 568441724 /nfs/dbraw/zinc/44/17/24/568441724.db2.gz ABPPMVQRKDJZTO-UHFFFAOYSA-N 0 0 423.296 5.492 50 0 HKAARN CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc21 ZINC000048365521 568441732 /nfs/dbraw/zinc/44/17/32/568441732.db2.gz JAOJWHQHAFVRSB-UHFFFAOYSA-N 0 0 406.461 5.058 50 0 HKAARN COc1ccccc1Nc1nn(CN(Cc2cccc(F)c2)C2CC2)c(=S)s1 ZINC000048365705 568441909 /nfs/dbraw/zinc/44/19/09/568441909.db2.gz MYVBIGAVQXGMMU-UHFFFAOYSA-N 0 0 416.547 5.187 50 0 HKAARN CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cc(Cl)ccc1Cl ZINC000048366669 568442000 /nfs/dbraw/zinc/44/20/00/568442000.db2.gz IFIKOPUTWYNSMN-UHFFFAOYSA-N 0 0 404.297 5.014 50 0 HKAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c2ccccc12 ZINC000048366699 568441980 /nfs/dbraw/zinc/44/19/80/568441980.db2.gz GMHPZQRLCFMRHJ-UHFFFAOYSA-N 0 0 424.444 5.014 50 0 HKAARN O=C(OCc1nc2cc(C(F)(F)F)ccc2s1)c1cnc(Cl)c(Cl)c1 ZINC000048366701 568442054 /nfs/dbraw/zinc/44/20/54/568442054.db2.gz BGKCARBRLSSEBT-UHFFFAOYSA-N 0 0 407.200 5.374 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1Br ZINC000048366936 568442023 /nfs/dbraw/zinc/44/20/23/568442023.db2.gz UGIBRZXLLLUFIJ-UHFFFAOYSA-N 0 0 405.317 5.652 50 0 HKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)oc(C)c2Br)n1 ZINC000048366950 568441962 /nfs/dbraw/zinc/44/19/62/568441962.db2.gz PFHZNAWMHDNYJS-UHFFFAOYSA-N 0 0 421.316 5.352 50 0 HKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc(Cl)s2)cc1 ZINC000048367940 568442140 /nfs/dbraw/zinc/44/21/40/568442140.db2.gz TYADVHUYUGDSTK-UHFFFAOYSA-N 0 0 400.931 5.089 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000048373927 568442228 /nfs/dbraw/zinc/44/22/28/568442228.db2.gz WCDQFWPGDULMOC-HNNXBMFYSA-N 0 0 413.489 5.823 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000048373928 568442239 /nfs/dbraw/zinc/44/22/39/568442239.db2.gz WCDQFWPGDULMOC-OAHLLOKOSA-N 0 0 413.489 5.823 50 0 HKAARN C[C@H](SC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000048373965 568442365 /nfs/dbraw/zinc/44/23/65/568442365.db2.gz CIXAUWKHQJFZAT-AWEZNQCLSA-N 0 0 401.453 5.954 50 0 HKAARN C[C@@H](SC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000048373966 568442335 /nfs/dbraw/zinc/44/23/35/568442335.db2.gz CIXAUWKHQJFZAT-CQSZACIVSA-N 0 0 401.453 5.954 50 0 HKAARN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000048374476 568442102 /nfs/dbraw/zinc/44/21/02/568442102.db2.gz RVZNAYOCWCVXOG-QFIPXVFZSA-N 0 0 424.953 5.043 50 0 HKAARN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000048374477 568442084 /nfs/dbraw/zinc/44/20/84/568442084.db2.gz RVZNAYOCWCVXOG-JOCHJYFZSA-N 0 0 424.953 5.043 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(F)(F)F)c1 ZINC000048375215 568442344 /nfs/dbraw/zinc/44/23/44/568442344.db2.gz YNIAVLLOXPCXMT-AWEZNQCLSA-N 0 0 422.447 5.502 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(F)(F)F)c1 ZINC000048375216 568442337 /nfs/dbraw/zinc/44/23/37/568442337.db2.gz YNIAVLLOXPCXMT-CQSZACIVSA-N 0 0 422.447 5.502 50 0 HKAARN CC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000048375424 568442501 /nfs/dbraw/zinc/44/25/01/568442501.db2.gz DLZQYDCMGCAPID-UHFFFAOYSA-N 0 0 404.894 5.376 50 0 HKAARN CC(C)n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cc2ccccc2o1 ZINC000048513713 558845666 /nfs/dbraw/zinc/84/56/66/558845666.db2.gz HKYYXGXHCIAUEA-UHFFFAOYSA-N 0 0 412.559 5.155 50 0 HKAARN COc1cc2oc(C(=O)c3ccc(-c4ccc(F)cc4F)cc3)c(N)c2c(OC)c1 ZINC000048564210 569013038 /nfs/dbraw/zinc/01/30/38/569013038.db2.gz NJBOMQUCBXPSPO-UHFFFAOYSA-N 0 0 409.388 5.208 50 0 HKAARN Cc1cccc(-c2csc3c2nc(N2CCC(Cc4ccccc4)CC2)[nH]c3=O)c1 ZINC000048985952 524116072 /nfs/dbraw/zinc/11/60/72/524116072.db2.gz FUBPUSWIBHXXQL-UHFFFAOYSA-N 0 0 415.562 5.419 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc1Cl ZINC000048986019 524712628 /nfs/dbraw/zinc/71/26/28/524712628.db2.gz VJLZJQURCVFRAB-UHFFFAOYSA-N 0 0 409.917 5.513 50 0 HKAARN CCc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(F)cc4)nc3C)n[nH]2)cc1 ZINC000048986645 523939576 /nfs/dbraw/zinc/93/95/76/523939576.db2.gz UZGZHPVOYJKSLB-UHFFFAOYSA-N 0 0 420.513 5.140 50 0 HKAARN CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)c1 ZINC000048987307 568443951 /nfs/dbraw/zinc/44/39/51/568443951.db2.gz NSRKEAIXUNWXMH-UHFFFAOYSA-N 0 0 417.509 5.027 50 0 HKAARN CCOc1ccccc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccc(C)cc21 ZINC000048987681 568443967 /nfs/dbraw/zinc/44/39/67/568443967.db2.gz SRIPKSDNTNJHIA-UHFFFAOYSA-N 0 0 403.526 5.558 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)c(OC)c1 ZINC000048987686 560797899 /nfs/dbraw/zinc/79/78/99/560797899.db2.gz ZEMJQFSJCZOQAP-UHFFFAOYSA-N 0 0 419.525 5.176 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)cc1OC ZINC000048987702 568444052 /nfs/dbraw/zinc/44/40/52/568444052.db2.gz RPAWDARTVIAOGC-KRWDZBQOSA-N 0 0 419.525 5.176 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc32)cc1OC ZINC000048987708 568444065 /nfs/dbraw/zinc/44/40/65/568444065.db2.gz RPAWDARTVIAOGC-QGZVFWFLSA-N 0 0 419.525 5.176 50 0 HKAARN COc1cc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)cc(OC)c1 ZINC000048987713 568444049 /nfs/dbraw/zinc/44/40/49/568444049.db2.gz XZGYBUZQQLLHKW-KRWDZBQOSA-N 0 0 419.525 5.176 50 0 HKAARN COc1cc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc32)cc(OC)c1 ZINC000048987718 568444054 /nfs/dbraw/zinc/44/40/54/568444054.db2.gz XZGYBUZQQLLHKW-QGZVFWFLSA-N 0 0 419.525 5.176 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000048989722 568444300 /nfs/dbraw/zinc/44/43/00/568444300.db2.gz XTMXCCCWXDNBSQ-UHFFFAOYSA-N 0 0 404.491 5.046 50 0 HKAARN Cc1oc(-c2ccc(C)cc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000048989752 568444301 /nfs/dbraw/zinc/44/43/01/568444301.db2.gz AAWFASSZPHNFFF-UHFFFAOYSA-N 0 0 418.518 5.354 50 0 HKAARN Cc1oc(-c2cccc(C)c2)nc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000048989950 568444310 /nfs/dbraw/zinc/44/43/10/568444310.db2.gz XWXUXBNTVITFKP-UHFFFAOYSA-N 0 0 418.518 5.354 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)c(OC)c1 ZINC000048991729 571040936 /nfs/dbraw/zinc/04/09/36/571040936.db2.gz RGNFHKOILPEALM-UHFFFAOYSA-N 0 0 422.481 5.614 50 0 HKAARN O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2cccc(F)c2)c1-n1cccc1 ZINC000048991733 568443870 /nfs/dbraw/zinc/44/38/70/568443870.db2.gz NHXGDVZAVGHJNV-UHFFFAOYSA-N 0 0 420.465 5.368 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1 ZINC000048991737 568443877 /nfs/dbraw/zinc/44/38/77/568443877.db2.gz FBBJOOBKHQYXOA-UHFFFAOYSA-N 0 0 419.481 5.556 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1OC ZINC000048991739 568443863 /nfs/dbraw/zinc/44/38/63/568443863.db2.gz PRXJBINPLIHUOQ-UHFFFAOYSA-N 0 0 422.481 5.614 50 0 HKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccccc4C(F)(F)F)c3N)n2)c(C)c1 ZINC000049001875 568443857 /nfs/dbraw/zinc/44/38/57/568443857.db2.gz YGTGQZQMXNKEFQ-UHFFFAOYSA-N 0 0 415.444 5.276 50 0 HKAARN CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000049001956 568443841 /nfs/dbraw/zinc/44/38/41/568443841.db2.gz LUWNIOWZPNPKSC-UHFFFAOYSA-N 0 0 407.445 5.055 50 0 HKAARN CCCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21 ZINC000049001972 568443845 /nfs/dbraw/zinc/44/38/45/568443845.db2.gz ZAAHEBDGEDIGKF-UHFFFAOYSA-N 0 0 417.362 5.286 50 0 HKAARN CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2ccc(C)nc21 ZINC000049002265 568446039 /nfs/dbraw/zinc/44/60/39/568446039.db2.gz BEVUETJUASGTPJ-UHFFFAOYSA-N 0 0 413.477 5.160 50 0 HKAARN Cc1nc(-c2cccc(C)c2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 ZINC000049002310 568446076 /nfs/dbraw/zinc/44/60/76/568446076.db2.gz VPYOTAPUSYAKII-UHFFFAOYSA-N 0 0 414.534 5.016 50 0 HKAARN Cc1ccc(-c2csc3c2ncn(Cc2cccc(Br)c2)c3=O)cc1 ZINC000049002874 568446148 /nfs/dbraw/zinc/44/61/48/568446148.db2.gz JKHLSPLTJACHMZ-UHFFFAOYSA-N 0 0 411.324 5.244 50 0 HKAARN Cc1ccc(-c2csc3c2ncn(Cc2ccc(Br)cc2)c3=O)cc1 ZINC000049002876 568446178 /nfs/dbraw/zinc/44/61/78/568446178.db2.gz BMAMGQLVGFKKDU-UHFFFAOYSA-N 0 0 411.324 5.244 50 0 HKAARN CCOc1ccc(-c2csc3c2ncn(Cc2ccc(F)cc2)c3=O)cc1OCC ZINC000049002884 568446132 /nfs/dbraw/zinc/44/61/32/568446132.db2.gz LYRWZYMKUNQAFD-UHFFFAOYSA-N 0 0 424.497 5.110 50 0 HKAARN O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(Br)c1 ZINC000049002890 568446150 /nfs/dbraw/zinc/44/61/50/568446150.db2.gz KKKBSHMBALYWLI-UHFFFAOYSA-N 0 0 415.287 5.075 50 0 HKAARN COc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000049003003 568446299 /nfs/dbraw/zinc/44/62/99/568446299.db2.gz SQMBFUUWCMMDOB-UHFFFAOYSA-N 0 0 409.917 5.575 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc1 ZINC000049003004 568446248 /nfs/dbraw/zinc/44/62/48/568446248.db2.gz DGRFWSAHPXCNDD-UHFFFAOYSA-N 0 0 405.498 5.012 50 0 HKAARN COc1cccc2c(Nc3cccc(SC)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000049003014 568446306 /nfs/dbraw/zinc/44/63/06/568446306.db2.gz YMEXOOCWEUHURA-UHFFFAOYSA-N 0 0 407.539 5.335 50 0 HKAARN COc1cccc2c(Nc3ccc(C(C)C)cc3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003056 560798518 /nfs/dbraw/zinc/79/85/18/560798518.db2.gz CEPFEQFJYQTMLA-UHFFFAOYSA-N 0 0 421.566 5.299 50 0 HKAARN COc1cccc2c(Nc3cccc(C(C)C)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003066 568446305 /nfs/dbraw/zinc/44/63/05/568446305.db2.gz KCYLSECAQRADNL-UHFFFAOYSA-N 0 0 421.566 5.299 50 0 HKAARN Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c(Cl)c1 ZINC000049003599 568446412 /nfs/dbraw/zinc/44/64/12/568446412.db2.gz LPUCQQQETYAQSR-UHFFFAOYSA-N 0 0 417.900 5.160 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(Br)c(C)c2)n1 ZINC000049004498 568446710 /nfs/dbraw/zinc/44/67/10/568446710.db2.gz TYEVYFOVFRAHKB-UHFFFAOYSA-N 0 0 414.303 5.318 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(Br)cc2F)n1 ZINC000049004502 568446722 /nfs/dbraw/zinc/44/67/22/568446722.db2.gz DWQWNKPCBFNUPB-UHFFFAOYSA-N 0 0 418.266 5.149 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049004504 568446731 /nfs/dbraw/zinc/44/67/31/568446731.db2.gz ISAUFFXFFNITDV-UHFFFAOYSA-N 0 0 405.376 5.146 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(Br)cc2)n1 ZINC000049004506 568446712 /nfs/dbraw/zinc/44/67/12/568446712.db2.gz CYXSOSJIMNWBLF-UHFFFAOYSA-N 0 0 400.276 5.010 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2cccc(Br)c2)n1 ZINC000049004516 568446744 /nfs/dbraw/zinc/44/67/44/568446744.db2.gz TVNQCWBMBRNWAJ-UHFFFAOYSA-N 0 0 400.276 5.010 50 0 HKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049004520 568446740 /nfs/dbraw/zinc/44/67/40/568446740.db2.gz BXPMTGYVSOMETM-UHFFFAOYSA-N 0 0 405.376 5.146 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000049004577 568446714 /nfs/dbraw/zinc/44/67/14/568446714.db2.gz LWCKEEPVWZXFPD-UHFFFAOYSA-N 0 0 424.504 5.710 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000049004675 568446750 /nfs/dbraw/zinc/44/67/50/568446750.db2.gz ICLYTBZZPLPSHR-UHFFFAOYSA-N 0 0 412.896 5.491 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1Cl ZINC000049004700 568446735 /nfs/dbraw/zinc/44/67/35/568446735.db2.gz IUWFLCRUHIITNH-UHFFFAOYSA-N 0 0 424.932 5.360 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000049004708 568446736 /nfs/dbraw/zinc/44/67/36/568446736.db2.gz FXTNFNSRGSPNIS-UHFFFAOYSA-N 0 0 408.933 5.660 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(F)cc2Cl)n1 ZINC000049004713 568446752 /nfs/dbraw/zinc/44/67/52/568446752.db2.gz YEBVZSPBPNOWAA-UHFFFAOYSA-N 0 0 412.896 5.491 50 0 HKAARN COc1ccc(Cl)cc1Nc1c(C(=O)N2CCCCCC2)cnc2nc(C)ccc21 ZINC000049004717 568446837 /nfs/dbraw/zinc/44/68/37/568446837.db2.gz YSZJBSCFFXYKLQ-UHFFFAOYSA-N 0 0 424.932 5.360 50 0 HKAARN CCOc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004729 568446824 /nfs/dbraw/zinc/44/68/24/568446824.db2.gz FYGNAXHHBIAQBH-UHFFFAOYSA-N 0 0 404.514 5.097 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004757 568446874 /nfs/dbraw/zinc/44/68/74/568446874.db2.gz ZRYOZMXWOZHJEW-UHFFFAOYSA-N 0 0 406.555 5.420 50 0 HKAARN Cc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c(Cl)c1 ZINC000049004762 568446866 /nfs/dbraw/zinc/44/68/66/568446866.db2.gz AETBFXVMDISBDF-UHFFFAOYSA-N 0 0 408.933 5.660 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049004764 568446847 /nfs/dbraw/zinc/44/68/47/568446847.db2.gz ZSXBRJVLMVVROY-UHFFFAOYSA-N 0 0 402.542 5.821 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(Cl)cc2F)n1 ZINC000049004778 568446843 /nfs/dbraw/zinc/44/68/43/568446843.db2.gz WFUVGBPEVVTFQS-UHFFFAOYSA-N 0 0 412.896 5.491 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c(C)c1 ZINC000049004780 568446841 /nfs/dbraw/zinc/44/68/41/568446841.db2.gz JYDCDLRROUPJPQ-UHFFFAOYSA-N 0 0 404.514 5.015 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2cccc(C(C)C)c2)n1 ZINC000049004786 568446855 /nfs/dbraw/zinc/44/68/55/568446855.db2.gz LDYBMFFXZZAPQN-UHFFFAOYSA-N 0 0 402.542 5.821 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(Cl)cc2C)n1 ZINC000049004790 568446864 /nfs/dbraw/zinc/44/68/64/568446864.db2.gz MLZMTTXJLDMDLZ-UHFFFAOYSA-N 0 0 408.933 5.660 50 0 HKAARN CCCCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc32)cc1 ZINC000049004949 568444393 /nfs/dbraw/zinc/44/43/93/568444393.db2.gz PDZXSAVHPPEUPB-UHFFFAOYSA-N 0 0 420.582 5.213 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 ZINC000049004971 568444371 /nfs/dbraw/zinc/44/43/71/568444371.db2.gz FLUUIXXAQNGHNB-GOSISDBHSA-N 0 0 408.933 5.740 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 ZINC000049004973 568444372 /nfs/dbraw/zinc/44/43/72/568444372.db2.gz FLUUIXXAQNGHNB-SFHVURJKSA-N 0 0 408.933 5.740 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)=O)c1 ZINC000049004975 568444336 /nfs/dbraw/zinc/44/43/36/568444336.db2.gz ZYKJTWFIFPADPN-HXUWFJFHSA-N 0 0 416.525 5.289 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)=O)c1 ZINC000049004978 568444402 /nfs/dbraw/zinc/44/44/02/568444402.db2.gz ZYKJTWFIFPADPN-FQEVSTJZSA-N 0 0 416.525 5.289 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1 ZINC000049005020 568444406 /nfs/dbraw/zinc/44/44/06/568444406.db2.gz PBNUEDPQZAQWOU-HXUWFJFHSA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1 ZINC000049005022 568444384 /nfs/dbraw/zinc/44/43/84/568444384.db2.gz PBNUEDPQZAQWOU-FQEVSTJZSA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 ZINC000049005024 568444377 /nfs/dbraw/zinc/44/43/77/568444377.db2.gz QEYNHWPDJXOELK-HXUWFJFHSA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 ZINC000049005026 568444354 /nfs/dbraw/zinc/44/43/54/568444354.db2.gz QEYNHWPDJXOELK-FQEVSTJZSA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1 ZINC000049005028 568444389 /nfs/dbraw/zinc/44/43/89/568444389.db2.gz DIBMZPUBYJXYOP-GOSISDBHSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1 ZINC000049005030 568444410 /nfs/dbraw/zinc/44/44/10/568444410.db2.gz DIBMZPUBYJXYOP-SFHVURJKSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1 ZINC000049005033 568444348 /nfs/dbraw/zinc/44/43/48/568444348.db2.gz PKOHNWKAFQCZPV-GOSISDBHSA-N 0 0 408.933 5.740 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1 ZINC000049005035 568444408 /nfs/dbraw/zinc/44/44/08/568444408.db2.gz PKOHNWKAFQCZPV-SFHVURJKSA-N 0 0 408.933 5.740 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1C ZINC000049005041 568444413 /nfs/dbraw/zinc/44/44/13/568444413.db2.gz YCPQDJGCMOQXJR-GOSISDBHSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1C ZINC000049005043 568444355 /nfs/dbraw/zinc/44/43/55/568444355.db2.gz YCPQDJGCMOQXJR-SFHVURJKSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1C ZINC000049005045 568444376 /nfs/dbraw/zinc/44/43/76/568444376.db2.gz AYUDZQYFTGHFJS-LJQANCHMSA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1C ZINC000049005047 568444334 /nfs/dbraw/zinc/44/43/34/568444334.db2.gz AYUDZQYFTGHFJS-IBGZPJMESA-N 0 0 402.542 5.703 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC ZINC000049005057 568444341 /nfs/dbraw/zinc/44/43/41/568444341.db2.gz UUBCXINATFVQFC-QGZVFWFLSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC ZINC000049005059 568444388 /nfs/dbraw/zinc/44/43/88/568444388.db2.gz UUBCXINATFVQFC-KRWDZBQOSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)=O)cc1 ZINC000049005061 568444381 /nfs/dbraw/zinc/44/43/81/568444381.db2.gz ZCGXNQODHBSFBU-HXUWFJFHSA-N 0 0 416.525 5.289 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)=O)cc1 ZINC000049005063 568444347 /nfs/dbraw/zinc/44/43/47/568444347.db2.gz ZCGXNQODHBSFBU-FQEVSTJZSA-N 0 0 416.525 5.289 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1Cl ZINC000049005069 568444361 /nfs/dbraw/zinc/44/43/61/568444361.db2.gz NDZMTBJRUPDQCE-MRXNPFEDSA-N 0 0 408.933 5.740 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1Cl ZINC000049005071 568444386 /nfs/dbraw/zinc/44/43/86/568444386.db2.gz NDZMTBJRUPDQCE-INIZCTEOSA-N 0 0 408.933 5.740 50 0 HKAARN CCOc1ccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc32)cc1 ZINC000049005073 568444420 /nfs/dbraw/zinc/44/44/20/568444420.db2.gz QXJGPMOFWGHRGZ-LJQANCHMSA-N 0 0 418.541 5.485 50 0 HKAARN CCOc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc32)cc1 ZINC000049005075 568444366 /nfs/dbraw/zinc/44/43/66/568444366.db2.gz QXJGPMOFWGHRGZ-IBGZPJMESA-N 0 0 418.541 5.485 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1 ZINC000049005077 568444352 /nfs/dbraw/zinc/44/43/52/568444352.db2.gz AVKYULXFRAJKON-GOSISDBHSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1 ZINC000049005079 568444422 /nfs/dbraw/zinc/44/44/22/568444422.db2.gz AVKYULXFRAJKON-SFHVURJKSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1F ZINC000049005085 568444357 /nfs/dbraw/zinc/44/43/57/568444357.db2.gz WHRKXRASDVSZPX-MRXNPFEDSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1F ZINC000049005087 568444391 /nfs/dbraw/zinc/44/43/91/568444391.db2.gz WHRKXRASDVSZPX-INIZCTEOSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC)c1 ZINC000049005089 568444345 /nfs/dbraw/zinc/44/43/45/568444345.db2.gz MOXGBNBFNJWXFI-GOSISDBHSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC)c1 ZINC000049005091 568444359 /nfs/dbraw/zinc/44/43/59/568444359.db2.gz MOXGBNBFNJWXFI-SFHVURJKSA-N 0 0 404.514 5.095 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 ZINC000049005093 568444363 /nfs/dbraw/zinc/44/43/63/568444363.db2.gz DFMZOMAPBHMMTN-MRXNPFEDSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 ZINC000049005095 568444343 /nfs/dbraw/zinc/44/43/43/568444343.db2.gz DFMZOMAPBHMMTN-INIZCTEOSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 ZINC000049005117 568444404 /nfs/dbraw/zinc/44/44/04/568444404.db2.gz AHIMVZXSCYTLNI-GOSISDBHSA-N 0 0 420.582 5.808 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 ZINC000049005119 568444399 /nfs/dbraw/zinc/44/43/99/568444399.db2.gz AHIMVZXSCYTLNI-SFHVURJKSA-N 0 0 420.582 5.808 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C ZINC000049005129 568444425 /nfs/dbraw/zinc/44/44/25/568444425.db2.gz WHAXVAPNLGOSNZ-GOSISDBHSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C ZINC000049005131 568444382 /nfs/dbraw/zinc/44/43/82/568444382.db2.gz WHAXVAPNLGOSNZ-SFHVURJKSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1C ZINC000049005133 568444414 /nfs/dbraw/zinc/44/44/14/568444414.db2.gz WXQBYRWURXOGJT-GOSISDBHSA-N 0 0 418.541 5.404 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1C ZINC000049005135 568444374 /nfs/dbraw/zinc/44/43/74/568444374.db2.gz WXQBYRWURXOGJT-SFHVURJKSA-N 0 0 418.541 5.404 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)cc(F)c1 ZINC000049005141 568444397 /nfs/dbraw/zinc/44/43/97/568444397.db2.gz QGKIDAOLUNAWKE-GOSISDBHSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)cc(F)c1 ZINC000049005143 568444338 /nfs/dbraw/zinc/44/43/38/568444338.db2.gz QGKIDAOLUNAWKE-SFHVURJKSA-N 0 0 410.468 5.365 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 ZINC000049005157 568444418 /nfs/dbraw/zinc/44/44/18/568444418.db2.gz CDQACNVPNTVKTG-GOSISDBHSA-N 0 0 406.505 5.534 50 0 HKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 ZINC000049005159 568444465 /nfs/dbraw/zinc/44/44/65/568444465.db2.gz CDQACNVPNTVKTG-SFHVURJKSA-N 0 0 406.505 5.534 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000049005169 568444505 /nfs/dbraw/zinc/44/45/05/568444505.db2.gz VEOXUSJSHRCDLF-AWEZNQCLSA-N 0 0 412.896 5.489 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000049005171 568444488 /nfs/dbraw/zinc/44/44/88/568444488.db2.gz VEOXUSJSHRCDLF-CQSZACIVSA-N 0 0 412.896 5.489 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1Cl ZINC000049005201 568444442 /nfs/dbraw/zinc/44/44/42/568444442.db2.gz SNNKWZHKMUKHON-HNNXBMFYSA-N 0 0 424.932 5.358 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc1Cl ZINC000049005203 568444446 /nfs/dbraw/zinc/44/44/46/568444446.db2.gz SNNKWZHKMUKHON-OAHLLOKOSA-N 0 0 424.932 5.358 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000049005217 568444494 /nfs/dbraw/zinc/44/44/94/568444494.db2.gz IAZFXNVNFGKWQS-INIZCTEOSA-N 0 0 408.933 5.658 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000049005219 568444490 /nfs/dbraw/zinc/44/44/90/568444490.db2.gz IAZFXNVNFGKWQS-MRXNPFEDSA-N 0 0 408.933 5.658 50 0 HKAARN CCOc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005238 560801414 /nfs/dbraw/zinc/80/14/14/560801414.db2.gz OLEFJPYLNSNTPA-KRWDZBQOSA-N 0 0 404.514 5.095 50 0 HKAARN CCOc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005240 560801317 /nfs/dbraw/zinc/80/13/17/560801317.db2.gz OLEFJPYLNSNTPA-QGZVFWFLSA-N 0 0 404.514 5.095 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005292 568444486 /nfs/dbraw/zinc/44/44/86/568444486.db2.gz VASMYUCIVNLCEH-INIZCTEOSA-N 0 0 406.555 5.418 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005294 568444444 /nfs/dbraw/zinc/44/44/44/568444444.db2.gz VASMYUCIVNLCEH-MRXNPFEDSA-N 0 0 406.555 5.418 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049005296 568444433 /nfs/dbraw/zinc/44/44/33/568444433.db2.gz NGDPEWSXXGXQMK-SFHVURJKSA-N 0 0 402.542 5.820 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049005298 568444434 /nfs/dbraw/zinc/44/44/34/568444434.db2.gz NGDPEWSXXGXQMK-GOSISDBHSA-N 0 0 402.542 5.820 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2cccc(C(C)C)c2)n1 ZINC000049005320 568444448 /nfs/dbraw/zinc/44/44/48/568444448.db2.gz IBWSUHZBYHJPED-SFHVURJKSA-N 0 0 402.542 5.820 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2cccc(C(C)C)c2)n1 ZINC000049005322 568444435 /nfs/dbraw/zinc/44/44/35/568444435.db2.gz IBWSUHZBYHJPED-GOSISDBHSA-N 0 0 402.542 5.820 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)cc1Cl ZINC000049005352 568444471 /nfs/dbraw/zinc/44/44/71/568444471.db2.gz DQVYTSXLJDHLPW-AWEZNQCLSA-N 0 0 424.932 5.216 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)cc1Cl ZINC000049005354 568444449 /nfs/dbraw/zinc/44/44/49/568444449.db2.gz DQVYTSXLJDHLPW-CQSZACIVSA-N 0 0 424.932 5.216 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)c1 ZINC000049005406 568444479 /nfs/dbraw/zinc/44/44/79/568444479.db2.gz VOPFLAXJFAUORD-HNNXBMFYSA-N 0 0 406.555 5.276 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)c1 ZINC000049005408 568444469 /nfs/dbraw/zinc/44/44/69/568444469.db2.gz VOPFLAXJFAUORD-OAHLLOKOSA-N 0 0 406.555 5.276 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049005410 568444497 /nfs/dbraw/zinc/44/44/97/568444497.db2.gz XCLUPFXIAFVNDE-KRWDZBQOSA-N 0 0 402.542 5.677 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049005412 568444437 /nfs/dbraw/zinc/44/44/37/568444437.db2.gz XCLUPFXIAFVNDE-QGZVFWFLSA-N 0 0 402.542 5.677 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000049005424 568444495 /nfs/dbraw/zinc/44/44/95/568444495.db2.gz ZJMLLIPJJXCWIS-UHFFFAOYSA-N 0 0 412.896 5.346 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1Cl ZINC000049005438 568444545 /nfs/dbraw/zinc/44/45/45/568444545.db2.gz DTTFNWSMZCBMSR-UHFFFAOYSA-N 0 0 424.932 5.216 50 0 HKAARN CSc1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)c1 ZINC000049005479 568444582 /nfs/dbraw/zinc/44/45/82/568444582.db2.gz WYJJAXCQWANQBR-UHFFFAOYSA-N 0 0 406.555 5.276 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049005483 568444542 /nfs/dbraw/zinc/44/45/42/568444542.db2.gz LYNCCHDXIXGZEB-UHFFFAOYSA-N 0 0 402.542 5.677 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(C(C)C)c2)n1 ZINC000049005491 568444549 /nfs/dbraw/zinc/44/45/49/568444549.db2.gz SXEWAXPEFSIFDU-UHFFFAOYSA-N 0 0 402.542 5.677 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(Cl)c(F)c2)n1 ZINC000049005501 568444574 /nfs/dbraw/zinc/44/45/74/568444574.db2.gz KWEOVAYPIASOJR-UHFFFAOYSA-N 0 0 412.896 5.346 50 0 HKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000049005515 568444596 /nfs/dbraw/zinc/44/45/96/568444596.db2.gz AUJPZLZIXVCFCD-UHFFFAOYSA-N 0 0 402.420 5.183 50 0 HKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000049005539 568444555 /nfs/dbraw/zinc/44/45/55/568444555.db2.gz GCRLLPFMDRTJMS-UHFFFAOYSA-N 0 0 418.419 5.062 50 0 HKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 ZINC000049005595 568444548 /nfs/dbraw/zinc/44/45/48/568444548.db2.gz IAMCOHOIDSVPJV-UHFFFAOYSA-N 0 0 418.419 5.062 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 ZINC000049006707 568444882 /nfs/dbraw/zinc/44/48/82/568444882.db2.gz AVLZXDSIBAKIFX-UHFFFAOYSA-N 0 0 412.946 5.090 50 0 HKAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccccc1Cl ZINC000049006712 568444942 /nfs/dbraw/zinc/44/49/42/568444942.db2.gz ZFONAVUOODIYBV-UHFFFAOYSA-N 0 0 419.337 5.126 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSc1cc(NCc2ccc(Cl)cc2)ncn1 ZINC000049006715 568444916 /nfs/dbraw/zinc/44/49/16/568444916.db2.gz OIQPJAGZWBZTIF-UHFFFAOYSA-N 0 0 412.946 5.090 50 0 HKAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccccc1Cl ZINC000049006724 568444929 /nfs/dbraw/zinc/44/49/29/568444929.db2.gz VDLOGSAAKKXIGJ-UHFFFAOYSA-N 0 0 419.337 5.126 50 0 HKAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000049006900 568444873 /nfs/dbraw/zinc/44/48/73/568444873.db2.gz IVXCLEHZVPKQGS-UHFFFAOYSA-N 0 0 402.281 5.085 50 0 HKAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000049006902 568444892 /nfs/dbraw/zinc/44/48/92/568444892.db2.gz HGICNVODRIRTMN-UHFFFAOYSA-N 0 0 402.281 5.085 50 0 HKAARN Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049006992 568444925 /nfs/dbraw/zinc/44/49/25/568444925.db2.gz WNTGVVASDWCQDU-UHFFFAOYSA-N 0 0 415.415 5.105 50 0 HKAARN Cc1cccc2sc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)nc21 ZINC000049029706 568445755 /nfs/dbraw/zinc/44/57/55/568445755.db2.gz QHFLXBPYGIXKOM-UHFFFAOYSA-N 0 0 415.931 5.034 50 0 HKAARN O=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCc2ccccc21 ZINC000049032347 568445918 /nfs/dbraw/zinc/44/59/18/568445918.db2.gz PKSCURHXJIDPLL-UHFFFAOYSA-N 0 0 402.475 5.185 50 0 HKAARN CC12CC3(C)CC(C)(C1)CC(c1ccc(Br)c(Br)c1)(C2)C3 ZINC000049079152 558847922 /nfs/dbraw/zinc/84/79/22/558847922.db2.gz BQCCBVSXLQCOSX-UHFFFAOYSA-N 0 0 412.209 6.850 50 0 HKAARN O=C(Nc1c(Cl)cncc1Cl)c1ccc(OCC2CC2)c(OC(F)F)c1 ZINC000049135178 558848182 /nfs/dbraw/zinc/84/81/82/558848182.db2.gz VXNCCFGMEHFNBA-UHFFFAOYSA-N 0 0 403.212 5.031 50 0 in-vitro HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049371868 568447088 /nfs/dbraw/zinc/44/70/88/568447088.db2.gz APMXBRXWAZPCLN-UHFFFAOYSA-N 0 0 422.432 5.228 50 0 HKAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000049403770 568448409 /nfs/dbraw/zinc/44/84/09/568448409.db2.gz GALPTBBSNSSMCT-UHFFFAOYSA-N 0 0 419.481 6.379 50 0 HKAARN Cc1cc(C)cc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)c1 ZINC000049405247 568448717 /nfs/dbraw/zinc/44/87/17/568448717.db2.gz NLNCUBRGBHNCSN-UHFFFAOYSA-N 0 0 400.360 5.013 50 0 HKAARN Cc1cccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)c1C ZINC000049405469 568448679 /nfs/dbraw/zinc/44/86/79/568448679.db2.gz VNUFLCRPNZOAIR-UHFFFAOYSA-N 0 0 416.506 5.146 50 0 HKAARN O=C(Cn1cnc(-c2nc(-c3cccs3)cs2)c1)Nc1ccc(F)c(Cl)c1 ZINC000049420739 568450273 /nfs/dbraw/zinc/45/02/73/568450273.db2.gz PSKSOHFIGIVPFW-UHFFFAOYSA-N 0 0 418.906 5.166 50 0 HKAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000049421454 568450531 /nfs/dbraw/zinc/45/05/31/568450531.db2.gz IBZOCSQPJXTMQM-UHFFFAOYSA-N 0 0 400.507 5.316 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1C ZINC000049421456 568450714 /nfs/dbraw/zinc/45/07/14/568450714.db2.gz OMJBQFFYBXKFNA-UHFFFAOYSA-N 0 0 414.534 5.625 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)c2c1 ZINC000049421532 568450705 /nfs/dbraw/zinc/45/07/05/568450705.db2.gz RECZUQVFVHESNH-UHFFFAOYSA-N 0 0 418.518 5.518 50 0 HKAARN CCOC(=O)CC1=CC(SCc2ccc(OC)c(F)c2)=Nc2ccccc2N1 ZINC000049421646 568450682 /nfs/dbraw/zinc/45/06/82/568450682.db2.gz JCJXMOKOOARKKM-UHFFFAOYSA-N 0 0 400.475 5.060 50 0 HKAARN Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000049421761 568450733 /nfs/dbraw/zinc/45/07/33/568450733.db2.gz OXOMLGIBNVLZRC-UHFFFAOYSA-N 0 0 411.490 5.432 50 0 HKAARN Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)cc1 ZINC000049421971 568450699 /nfs/dbraw/zinc/45/06/99/568450699.db2.gz HBOOXPDDFVJIFE-UHFFFAOYSA-N 0 0 416.525 5.011 50 0 HKAARN O=C(CC1CCCCC1)Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3)c2)cc1 ZINC000049422244 568450758 /nfs/dbraw/zinc/45/07/58/568450758.db2.gz LBKNTYBPGRLMFU-UHFFFAOYSA-N 0 0 416.525 5.093 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)Nc1ccccc1F ZINC000049422286 568450786 /nfs/dbraw/zinc/45/07/86/568450786.db2.gz OLYFWUOPFHSQDZ-UHFFFAOYSA-N 0 0 403.482 5.752 50 0 HKAARN O=C(N1CCC(Oc2nc3ccccc3s2)CC1)C1(c2cccs2)CCCC1 ZINC000049430675 568450813 /nfs/dbraw/zinc/45/08/13/568450813.db2.gz WFVRUCBFITXCFU-UHFFFAOYSA-N 0 0 412.580 5.240 50 0 HKAARN O=C(c1cc(Cl)sc1Cl)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049431160 568450850 /nfs/dbraw/zinc/45/08/50/568450850.db2.gz QYRLWGPICDTYTG-UHFFFAOYSA-N 0 0 413.351 5.348 50 0 HKAARN O=C(c1cc2ccccc2o1)N1CCC(Oc2nc3c(cccc3Cl)s2)CC1 ZINC000049432787 568451070 /nfs/dbraw/zinc/45/10/70/568451070.db2.gz AEBYQKSNFFASDY-UHFFFAOYSA-N 0 0 412.898 5.380 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049442896 568450961 /nfs/dbraw/zinc/45/09/61/568450961.db2.gz ZWSIBHHCYHWPLT-UHFFFAOYSA-N 0 0 421.444 5.390 50 0 HKAARN Cc1nc2cc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)ccc2s1 ZINC000049460587 568450811 /nfs/dbraw/zinc/45/08/11/568450811.db2.gz UULMRDCZIMSGBD-UHFFFAOYSA-N 0 0 415.931 5.034 50 0 HKAARN CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCCC2)C1 ZINC000049537562 568451004 /nfs/dbraw/zinc/45/10/04/568451004.db2.gz BMYKCFZOGAYVIL-SSEXGKCCSA-N 0 0 420.497 6.295 50 0 HKAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C)cc1OCc1ccccc1C ZINC000049544549 568451261 /nfs/dbraw/zinc/45/12/61/568451261.db2.gz JRYXYLCFPAFAJU-JOCHJYFZSA-N 0 0 423.538 5.049 50 0 HKAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)cc1OCc1ccccc1C ZINC000049544552 568451254 /nfs/dbraw/zinc/45/12/54/568451254.db2.gz JRYXYLCFPAFAJU-QFIPXVFZSA-N 0 0 423.538 5.049 50 0 HKAARN CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC(=O)N2 ZINC000049544847 568451347 /nfs/dbraw/zinc/45/13/47/568451347.db2.gz GULIQLPGQWRXBM-HNNXBMFYSA-N 0 0 413.474 5.035 50 0 HKAARN CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC(=O)N2 ZINC000049544848 568451334 /nfs/dbraw/zinc/45/13/34/568451334.db2.gz GULIQLPGQWRXBM-OAHLLOKOSA-N 0 0 413.474 5.035 50 0 HKAARN Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1c(F)cccc1Cl ZINC000049544952 568451343 /nfs/dbraw/zinc/45/13/43/568451343.db2.gz XSDAAQPANIHGOK-LBPRGKRZSA-N 0 0 423.296 5.093 50 0 HKAARN Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000049544954 568451382 /nfs/dbraw/zinc/45/13/82/568451382.db2.gz XSDAAQPANIHGOK-GFCCVEGCSA-N 0 0 423.296 5.093 50 0 HKAARN Cc1nn(C)c2c1[C@@H](c1cccc(OCc3ccccc3Cl)c1)SCC(=O)N2 ZINC000049545117 568451349 /nfs/dbraw/zinc/45/13/49/568451349.db2.gz IQQYRLJZBTWYLM-HXUWFJFHSA-N 0 0 413.930 5.385 50 0 HKAARN Cc1nn(C)c2c1[C@H](c1cccc(OCc3ccccc3Cl)c1)SCC(=O)N2 ZINC000049545120 568451308 /nfs/dbraw/zinc/45/13/08/568451308.db2.gz IQQYRLJZBTWYLM-FQEVSTJZSA-N 0 0 413.930 5.385 50 0 HKAARN CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccccc1F)CC(=O)N2 ZINC000049548240 568451589 /nfs/dbraw/zinc/45/15/89/568451589.db2.gz GMBYOEJLLVMQMW-AWEZNQCLSA-N 0 0 413.474 5.035 50 0 HKAARN CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccccc1F)CC(=O)N2 ZINC000049548242 568451708 /nfs/dbraw/zinc/45/17/08/568451708.db2.gz GMBYOEJLLVMQMW-CQSZACIVSA-N 0 0 413.474 5.035 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2sccc2n1Cc1ccccc1F ZINC000049548756 568451674 /nfs/dbraw/zinc/45/16/74/568451674.db2.gz PJHYBMOFTMOFBD-UHFFFAOYSA-N 0 0 410.518 5.537 50 0 HKAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000049550290 568451932 /nfs/dbraw/zinc/45/19/32/568451932.db2.gz QQKSKLIRHTWXTL-AWEZNQCLSA-N 0 0 423.296 5.093 50 0 HKAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000049550292 568451918 /nfs/dbraw/zinc/45/19/18/568451918.db2.gz QQKSKLIRHTWXTL-CQSZACIVSA-N 0 0 423.296 5.093 50 0 HKAARN CC(C)C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1 ZINC000049573911 568452212 /nfs/dbraw/zinc/45/22/12/568452212.db2.gz YILMNDUSBFJQAB-NRFANRHFSA-N 0 0 403.482 5.252 50 0 HKAARN CC(C)C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1 ZINC000049573913 568452184 /nfs/dbraw/zinc/45/21/84/568452184.db2.gz YILMNDUSBFJQAB-OAQYLSRUSA-N 0 0 403.482 5.252 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)o2)cc1 ZINC000049581187 568452819 /nfs/dbraw/zinc/45/28/19/568452819.db2.gz LDWCYUGRIMGPDR-NRFANRHFSA-N 0 0 415.493 5.543 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)o2)cc1 ZINC000049581188 568452893 /nfs/dbraw/zinc/45/28/93/568452893.db2.gz LDWCYUGRIMGPDR-OAQYLSRUSA-N 0 0 415.493 5.543 50 0 HKAARN CC(C)N(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000049582114 558850520 /nfs/dbraw/zinc/85/05/20/558850520.db2.gz WLGHEZSFCNGLGM-FQEVSTJZSA-N 0 0 415.533 5.206 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1occc1-c1ccccc1 ZINC000049590067 568452993 /nfs/dbraw/zinc/45/29/93/568452993.db2.gz NKBQWOYQPISJIB-QHCPKHFHSA-N 0 0 407.473 5.537 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1occc1-c1ccccc1 ZINC000049590068 568452980 /nfs/dbraw/zinc/45/29/80/568452980.db2.gz NKBQWOYQPISJIB-HSZRJFAPSA-N 0 0 407.473 5.537 50 0 HKAARN Cn1c(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 ZINC000049590158 568452972 /nfs/dbraw/zinc/45/29/72/568452972.db2.gz UIGXNZFFBDAIOG-UHFFFAOYSA-N 0 0 400.265 5.070 50 0 HKAARN O=S(=O)(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1 ZINC000049597423 568452595 /nfs/dbraw/zinc/45/25/95/568452595.db2.gz JMCDNEOLOIFDRT-UHFFFAOYSA-N 0 0 424.522 5.095 50 0 HKAARN Cc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C1CCCCC1 ZINC000049605858 568452537 /nfs/dbraw/zinc/45/25/37/568452537.db2.gz VUCXMZHGDZTZBA-UHFFFAOYSA-N 0 0 420.582 5.090 50 0 HKAARN c1nn(Cc2cccc3ccccc32)cc1-c1cnn(Cc2cccc3ccccc32)c1 ZINC000049605866 568452495 /nfs/dbraw/zinc/45/24/95/568452495.db2.gz CDEJPUIXOSVWRN-UHFFFAOYSA-N 0 0 414.512 6.150 50 0 HKAARN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629696 568452728 /nfs/dbraw/zinc/45/27/28/568452728.db2.gz OZWZAEBQEOBZHW-MHZLTWQESA-N 0 0 412.577 5.797 50 0 HKAARN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629699 568452685 /nfs/dbraw/zinc/45/26/85/568452685.db2.gz OZWZAEBQEOBZHW-HHHXNRCGSA-N 0 0 412.577 5.797 50 0 HKAARN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000049629714 568452673 /nfs/dbraw/zinc/45/26/73/568452673.db2.gz BJYOFRCZPLIQCS-MHZLTWQESA-N 0 0 412.577 5.879 50 0 HKAARN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000049629716 568452710 /nfs/dbraw/zinc/45/27/10/568452710.db2.gz BJYOFRCZPLIQCS-HHHXNRCGSA-N 0 0 412.577 5.879 50 0 HKAARN COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000049634580 568452681 /nfs/dbraw/zinc/45/26/81/568452681.db2.gz OEPBOTXFUSXWRP-UHFFFAOYSA-N 0 0 412.445 5.460 50 0 HKAARN COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000049638550 568452700 /nfs/dbraw/zinc/45/27/00/568452700.db2.gz YZSYJOGQCNXJDW-UHFFFAOYSA-N 0 0 402.494 5.599 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)cc1 ZINC000049649908 568453145 /nfs/dbraw/zinc/45/31/45/568453145.db2.gz FLVGRLMJZOAAQD-HSZRJFAPSA-N 0 0 401.535 5.417 50 0 HKAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)cc1 ZINC000049649909 568453152 /nfs/dbraw/zinc/45/31/52/568453152.db2.gz FLVGRLMJZOAAQD-QHCPKHFHSA-N 0 0 401.535 5.417 50 0 HKAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 ZINC000049651000 568453167 /nfs/dbraw/zinc/45/31/67/568453167.db2.gz SDYJWEITIBOSNG-QHCPKHFHSA-N 0 0 417.534 5.117 50 0 HKAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 ZINC000049651002 568453181 /nfs/dbraw/zinc/45/31/81/568453181.db2.gz SDYJWEITIBOSNG-HSZRJFAPSA-N 0 0 417.534 5.117 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 ZINC000049651007 568453157 /nfs/dbraw/zinc/45/31/57/568453157.db2.gz JEFSZEUJEXBKEN-XMMPIXPASA-N 0 0 415.562 5.725 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 ZINC000049651009 568453177 /nfs/dbraw/zinc/45/31/77/568453177.db2.gz JEFSZEUJEXBKEN-DEOSSOPVSA-N 0 0 415.562 5.725 50 0 HKAARN CN(Cc1nc2ccccc2s1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000049655153 568452966 /nfs/dbraw/zinc/45/29/66/568452966.db2.gz AWPQZAXDYSYVHV-QFIPXVFZSA-N 0 0 405.498 5.247 50 0 HKAARN CN(Cc1nc2ccccc2s1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000049655155 568452999 /nfs/dbraw/zinc/45/29/99/568452999.db2.gz AWPQZAXDYSYVHV-JOCHJYFZSA-N 0 0 405.498 5.247 50 0 HKAARN Cc1cc(=O)oc2cc(NC(=O)c3cc4c(s3)c3ccccc3nc4Cl)ccc12 ZINC000049679534 568453149 /nfs/dbraw/zinc/45/31/49/568453149.db2.gz RRQQHRDAUYRGDX-UHFFFAOYSA-N 0 0 420.877 5.770 50 0 HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000049708037 568453289 /nfs/dbraw/zinc/45/32/89/568453289.db2.gz YEYCQJVCAMFWCO-RNWIMVDMSA-N 0 0 414.674 7.569 50 0 biogenic HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000049708040 568453239 /nfs/dbraw/zinc/45/32/39/568453239.db2.gz YEYCQJVCAMFWCO-VOWOZTGGSA-N 0 0 414.674 7.569 50 0 biogenic HKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049708043 568453207 /nfs/dbraw/zinc/45/32/07/568453207.db2.gz YEYCQJVCAMFWCO-SYYDAFJXSA-N 0 0 414.674 7.569 50 0 biogenic HKAARN O=C(CN1C=C(c2ccccc2)N2CCC[C@H]12)Nc1ccc(Oc2ccccc2)cc1 ZINC000049885664 568453597 /nfs/dbraw/zinc/45/35/97/568453597.db2.gz KUVDBRQSFQNFCT-AREMUKBSSA-N 0 0 411.505 5.154 50 0 HKAARN O=C(CN1C=C(c2ccccc2)N2CCC[C@@H]12)Nc1ccc(Oc2ccccc2)cc1 ZINC000049885666 568453573 /nfs/dbraw/zinc/45/35/73/568453573.db2.gz KUVDBRQSFQNFCT-SANMLTNESA-N 0 0 411.505 5.154 50 0 HKAARN O=C(NC1CCC(O)CC1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000049909031 568453639 /nfs/dbraw/zinc/45/36/39/568453639.db2.gz CLMLDACBGVTEBY-UHFFFAOYSA-N 0 0 415.942 5.412 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000049947068 568453556 /nfs/dbraw/zinc/45/35/56/568453556.db2.gz SGINLOSEYWJFJS-DEOSSOPVSA-N 0 0 417.896 5.341 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000049947069 568453588 /nfs/dbraw/zinc/45/35/88/568453588.db2.gz SGINLOSEYWJFJS-XMMPIXPASA-N 0 0 417.896 5.341 50 0 HKAARN CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OCc2ccccc2)cc1 ZINC000049947094 568453586 /nfs/dbraw/zinc/45/35/86/568453586.db2.gz DBMJMIKOIWEDCE-UHFFFAOYSA-N 0 0 423.622 6.668 50 0 HKAARN C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000049947095 568453544 /nfs/dbraw/zinc/45/35/44/568453544.db2.gz UAAPDEPWDCWRJK-QNRDPGIFSA-N 0 0 423.622 6.667 50 0 HKAARN C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000049947096 568453693 /nfs/dbraw/zinc/45/36/93/568453693.db2.gz UAAPDEPWDCWRJK-SFGGNAAOSA-N 0 0 423.622 6.667 50 0 HKAARN O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2ccccc2oc1=O ZINC000049947114 560083419 /nfs/dbraw/zinc/08/34/19/560083419.db2.gz FWRCWMGDQYHWCM-UHFFFAOYSA-N 0 0 419.864 5.924 50 0 biogenic,in-vitro HKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000050011377 559178433 /nfs/dbraw/zinc/17/84/33/559178433.db2.gz QSYZEZZQBQCDIH-GOSISDBHSA-N 0 0 414.534 5.362 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000050011380 559178430 /nfs/dbraw/zinc/17/84/30/559178430.db2.gz QSYZEZZQBQCDIH-SFHVURJKSA-N 0 0 414.534 5.362 50 0 HKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000050568090 559187694 /nfs/dbraw/zinc/18/76/94/559187694.db2.gz HLQSDUBOOKYOHM-VURMDHGXSA-N 0 0 400.309 5.289 50 0 HKAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccnc1Nc1cccc(F)c1 ZINC000051066483 560759649 /nfs/dbraw/zinc/75/96/49/560759649.db2.gz CAPHFSNPYQNCFI-UHFFFAOYSA-N 0 0 403.379 5.255 50 0 HKAARN O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1ccccc1Br ZINC000051180958 560837193 /nfs/dbraw/zinc/83/71/93/560837193.db2.gz AQCLJCZBVNKWJC-UHFFFAOYSA-N 0 0 409.239 5.635 50 0 HKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCSCC3)cc2C)c(Cl)c1 ZINC000051186436 560838008 /nfs/dbraw/zinc/83/80/08/560838008.db2.gz PMWIMSAWGMPARB-QGZVFWFLSA-N 0 0 418.006 5.258 50 0 HKAARN Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCSCC3)cc2C)c(Cl)c1 ZINC000051186438 560837995 /nfs/dbraw/zinc/83/79/95/560837995.db2.gz PMWIMSAWGMPARB-KRWDZBQOSA-N 0 0 418.006 5.258 50 0 HKAARN O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccc2ccccc21 ZINC000051315163 560855705 /nfs/dbraw/zinc/85/57/05/560855705.db2.gz AWXQEONRNUMTIJ-UHFFFAOYSA-N 0 0 409.239 5.009 50 0 HKAARN CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000051315168 560855733 /nfs/dbraw/zinc/85/57/33/560855733.db2.gz KKSXLEWRISXJCW-UHFFFAOYSA-N 0 0 415.287 5.154 50 0 HKAARN CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000051315325 560855978 /nfs/dbraw/zinc/85/59/78/560855978.db2.gz MJRDOSASRITDJS-UHFFFAOYSA-N 0 0 420.387 5.290 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000051315351 560856001 /nfs/dbraw/zinc/85/60/01/560856001.db2.gz YISNVBGBFIBNHT-XCVCLJGOSA-N 0 0 424.762 5.045 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n[nH]2)cc1 ZINC000051315518 560855974 /nfs/dbraw/zinc/85/59/74/560855974.db2.gz WDUUKOUQOCTYKX-UHFFFAOYSA-N 0 0 409.795 5.400 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000051315694 560856170 /nfs/dbraw/zinc/85/61/70/560856170.db2.gz RNJKNZHPGSPJPX-UHFFFAOYSA-N 0 0 405.457 6.275 50 0 HKAARN CCOC(=O)c1c(C)nc2n(CCOc3ccc(C(C)(C)C)cc3)c3ccccc3n21 ZINC000051325940 560871457 /nfs/dbraw/zinc/87/14/57/560871457.db2.gz BEWHJROAVKZIKI-UHFFFAOYSA-N 0 0 419.525 5.151 50 0 HKAARN CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 ZINC000051329758 560871566 /nfs/dbraw/zinc/87/15/66/560871566.db2.gz IISJHRJUPUHURQ-WIYYLYMNSA-N 0 0 408.592 5.977 50 0 HKAARN CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 ZINC000051329760 560871557 /nfs/dbraw/zinc/87/15/57/560871557.db2.gz IISJHRJUPUHURQ-GHTZIAJQSA-N 0 0 408.592 5.977 50 0 HKAARN CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)c1ccccc1)[C@H]2c1ccccc1 ZINC000051329761 560871565 /nfs/dbraw/zinc/87/15/65/560871565.db2.gz IISJHRJUPUHURQ-NQIIRXRSSA-N 0 0 408.592 5.977 50 0 HKAARN CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)c1ccccc1)[C@H]2c1ccccc1 ZINC000051329763 560871740 /nfs/dbraw/zinc/87/17/40/560871740.db2.gz IISJHRJUPUHURQ-RXVVDRJESA-N 0 0 408.592 5.977 50 0 HKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@@H](c3ccc(F)cc3)N12 ZINC000051329842 560871690 /nfs/dbraw/zinc/87/16/90/560871690.db2.gz AWAGYABBBLERKY-XNQXNLOKSA-N 0 0 410.489 5.203 50 0 HKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H](c3ccc(F)cc3)N12 ZINC000051329844 560871737 /nfs/dbraw/zinc/87/17/37/560871737.db2.gz AWAGYABBBLERKY-XRDOFBCLSA-N 0 0 410.489 5.203 50 0 HKAARN NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000051330107 560871716 /nfs/dbraw/zinc/87/17/16/560871716.db2.gz BERCUEVWTKEGAG-HRQWZESXSA-N 0 0 400.309 5.669 50 0 HKAARN NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000051330109 560871666 /nfs/dbraw/zinc/87/16/66/560871666.db2.gz BERCUEVWTKEGAG-FFTGWUTASA-N 0 0 400.309 5.669 50 0 HKAARN NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000051330111 560871739 /nfs/dbraw/zinc/87/17/39/560871739.db2.gz BERCUEVWTKEGAG-SMAVKEGISA-N 0 0 400.309 5.669 50 0 HKAARN NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000051330113 560871761 /nfs/dbraw/zinc/87/17/61/560871761.db2.gz BERCUEVWTKEGAG-KXXLANPWSA-N 0 0 400.309 5.669 50 0 HKAARN COc1ccc(CC2=CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000051330394 560874296 /nfs/dbraw/zinc/87/42/96/560874296.db2.gz CTZHBEXIMJUKEA-IXCJQBJRSA-N 0 0 424.544 6.200 50 0 HKAARN COc1ccc(CC2=CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000051330396 560874399 /nfs/dbraw/zinc/87/43/99/560874399.db2.gz CTZHBEXIMJUKEA-XTEPFMGCSA-N 0 0 424.544 6.200 50 0 HKAARN COc1ccc(CC2=CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000051330397 560874412 /nfs/dbraw/zinc/87/44/12/560874412.db2.gz CTZHBEXIMJUKEA-IAPPQJPRSA-N 0 0 424.544 6.200 50 0 HKAARN COc1ccc(CC2=CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000051330399 560875118 /nfs/dbraw/zinc/87/51/18/560875118.db2.gz CTZHBEXIMJUKEA-XCZPVHLTSA-N 0 0 424.544 6.200 50 0 HKAARN Brc1ccc(-c2nc3ccccc3c(NCCc3ccccc3)n2)cc1 ZINC000051330977 560875664 /nfs/dbraw/zinc/87/56/64/560875664.db2.gz JYSDIIZJVIJHRB-UHFFFAOYSA-N 0 0 404.311 5.714 50 0 HKAARN CCCCSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)o1 ZINC000051353966 568418486 /nfs/dbraw/zinc/41/84/86/568418486.db2.gz BBPPEBSNJJZQFE-UHFFFAOYSA-N 0 0 423.538 5.124 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 ZINC000051357442 568430836 /nfs/dbraw/zinc/43/08/36/568430836.db2.gz SZCZNBJOSIRMIK-UHFFFAOYSA-N 0 0 423.582 5.126 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364467 568439190 /nfs/dbraw/zinc/43/91/90/568439190.db2.gz BHHTVFWMPPFECG-QHCPKHFHSA-N 0 0 422.484 5.637 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364468 568439203 /nfs/dbraw/zinc/43/92/03/568439203.db2.gz BHHTVFWMPPFECG-HSZRJFAPSA-N 0 0 422.484 5.637 50 0 HKAARN O=C(OCc1csc(Br)c1)c1cccnc1Nc1cccc(F)c1 ZINC000051744697 568477319 /nfs/dbraw/zinc/47/73/19/568477319.db2.gz QCAIHXLAGYHGHC-UHFFFAOYSA-N 0 0 407.264 5.145 50 0 HKAARN CN1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530368 568769562 /nfs/dbraw/zinc/76/95/62/568769562.db2.gz GUAHHIHOYRGRSC-VABKMULXSA-N 0 0 403.909 5.325 50 0 HKAARN CN1C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530370 558859879 /nfs/dbraw/zinc/85/98/79/558859879.db2.gz GUAHHIHOYRGRSC-VJBWXMMDSA-N 0 0 403.909 5.325 50 0 HKAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000052537386 568769737 /nfs/dbraw/zinc/76/97/37/568769737.db2.gz DBSPSLMWEQGGBQ-UHFFFAOYSA-N 0 0 411.977 5.148 50 0 HKAARN CC(C)(C)[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccs1 ZINC000052861340 568909655 /nfs/dbraw/zinc/90/96/55/568909655.db2.gz AAYAJVYFDVDMAG-CQSZACIVSA-N 0 0 412.378 5.499 50 0 HKAARN CC(C)(C)[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccs1 ZINC000052861341 568909620 /nfs/dbraw/zinc/90/96/20/568909620.db2.gz AAYAJVYFDVDMAG-AWEZNQCLSA-N 0 0 412.378 5.499 50 0 HKAARN COc1ccc(-c2csc3ncnc(Oc4cccnc4Br)c23)cc1 ZINC000053584465 569031690 /nfs/dbraw/zinc/03/16/90/569031690.db2.gz JQVBDTWICYMHPT-UHFFFAOYSA-N 0 0 414.284 5.317 50 0 HKAARN O=C(CSc1nncc2ccccc21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000053774964 569032960 /nfs/dbraw/zinc/03/29/60/569032960.db2.gz KSDFZNQRFWIHDC-GOSISDBHSA-N 0 0 418.349 5.392 50 0 HKAARN O=C(CSc1nncc2ccccc21)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000053774965 569032963 /nfs/dbraw/zinc/03/29/63/569032963.db2.gz KSDFZNQRFWIHDC-SFHVURJKSA-N 0 0 418.349 5.392 50 0 HKAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000053944010 527154325 /nfs/dbraw/zinc/15/43/25/527154325.db2.gz GVCOPNRTSGBSEM-UHFFFAOYSA-N 0 0 423.299 6.238 50 0 HKAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc32)cc1 ZINC000053944031 527155229 /nfs/dbraw/zinc/15/52/29/527155229.db2.gz NDUIGOROWQBJPL-UHFFFAOYSA-N 0 0 404.469 6.084 50 0 HKAARN CSc1nnc(CCCNC(=O)Nc2cccc3ccccc32)n1C1CCCC1 ZINC000053998998 526227284 /nfs/dbraw/zinc/22/72/84/526227284.db2.gz AXZOKDSYROMACF-UHFFFAOYSA-N 0 0 409.559 5.023 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccccc3F)CC2)c1C ZINC000054105767 569057500 /nfs/dbraw/zinc/05/75/00/569057500.db2.gz SZSRMUBYOZZHHM-UHFFFAOYSA-N 0 0 423.557 5.079 50 0 HKAARN Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccc(F)cc3)CC2)c1C ZINC000054105769 569057522 /nfs/dbraw/zinc/05/75/22/569057522.db2.gz SJYVUQCMFVXLRS-UHFFFAOYSA-N 0 0 423.557 5.079 50 0 HKAARN CCc1cc(CN2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105788 569057498 /nfs/dbraw/zinc/05/74/98/569057498.db2.gz GNUCEBYIESBNIE-UHFFFAOYSA-N 0 0 423.557 5.024 50 0 HKAARN CCc1cc(CN2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105790 569057505 /nfs/dbraw/zinc/05/75/05/569057505.db2.gz CXMSEUAXYUBIBJ-UHFFFAOYSA-N 0 0 423.557 5.024 50 0 HKAARN Cc1cc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2c(C)c1Cl ZINC000054105989 569057608 /nfs/dbraw/zinc/05/76/08/569057608.db2.gz WBIOZCYDOJEVAP-UHFFFAOYSA-N 0 0 417.336 5.039 50 0 HKAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCC2=CCCCC2)C1 ZINC000054114194 569058322 /nfs/dbraw/zinc/05/83/22/569058322.db2.gz ARZFQUHHCILLLP-UHFFFAOYSA-N 0 0 419.521 6.114 50 0 HKAARN Cc1ccc2nc(N3CN(c4nc5ccc(C)cc5s4)CN(C(C)C)C3)sc2c1 ZINC000054147359 558866458 /nfs/dbraw/zinc/86/64/58/558866458.db2.gz SHSASPSKFAMVNK-UHFFFAOYSA-N 0 0 423.611 5.432 50 0 HKAARN O=C(CN(Cc1ccccc1)Cc1ccccc1)OCC(=O)c1ccc2ccccc2c1 ZINC000054195653 558866784 /nfs/dbraw/zinc/86/67/84/558866784.db2.gz JLNAFOTVTIPAJW-UHFFFAOYSA-N 0 0 423.512 5.268 50 0 HKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc(C)cc3)CO2)cc1 ZINC000054278151 558867128 /nfs/dbraw/zinc/86/71/28/558867128.db2.gz IQMXCCHXPDJYOG-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccc(F)cc1)CO2 ZINC000054278189 569064452 /nfs/dbraw/zinc/06/44/52/569064452.db2.gz CRZNNUUBEPSYDC-UHFFFAOYSA-N 0 0 401.437 5.260 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccc(Cl)cc1)CO2 ZINC000054278199 569064446 /nfs/dbraw/zinc/06/44/46/569064446.db2.gz LFGMSNZQBQZWMX-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 biogenic HKAARN COc1cccc(CN2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c1 ZINC000054278237 569064522 /nfs/dbraw/zinc/06/45/22/569064522.db2.gz HHVZOKZVFWUBGX-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 HKAARN O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1SCc1cscn1 ZINC000054283105 569069010 /nfs/dbraw/zinc/06/90/10/569069010.db2.gz ATLDSMOJKAVTCX-GOSISDBHSA-N 0 0 414.527 5.218 50 0 HKAARN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1SCc1cscn1 ZINC000054283106 569068982 /nfs/dbraw/zinc/06/89/82/569068982.db2.gz ATLDSMOJKAVTCX-SFHVURJKSA-N 0 0 414.527 5.218 50 0 HKAARN Cc1oc2c(ccc3c2CN(Cc2ccco2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000054313265 569070675 /nfs/dbraw/zinc/07/06/75/569070675.db2.gz DDPWQIRJCNGONL-UHFFFAOYSA-N 0 0 407.853 5.367 50 0 HKAARN COc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3C2)cc1 ZINC000054313309 569070716 /nfs/dbraw/zinc/07/07/16/569070716.db2.gz AWTISNRANUBVEC-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 biogenic HKAARN Cc1oc2c(ccc3c2CN(Cc2cccnc2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000054313318 569070752 /nfs/dbraw/zinc/07/07/52/569070752.db2.gz VMHZAUUMNZIRQD-UHFFFAOYSA-N 0 0 418.880 5.169 50 0 HKAARN Cc1oc2c(ccc3c2CN(Cc2ccncc2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000054313332 569070756 /nfs/dbraw/zinc/07/07/56/569070756.db2.gz RYJDEACSSLESFE-UHFFFAOYSA-N 0 0 418.880 5.169 50 0 HKAARN Cc1oc2c(ccc3c2CN(Cc2ccccn2)CO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000054313348 569070722 /nfs/dbraw/zinc/07/07/22/569070722.db2.gz PDJDJWJHPVBZKS-UHFFFAOYSA-N 0 0 418.880 5.169 50 0 HKAARN CCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C(F)(F)F)oc3c2C1 ZINC000054313652 569070762 /nfs/dbraw/zinc/07/07/62/569070762.db2.gz UOSFMAIYACXTPG-UHFFFAOYSA-N 0 0 407.363 5.180 50 0 HKAARN CC(C)N1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C(F)(F)F)oc3c2C1 ZINC000054313658 569070768 /nfs/dbraw/zinc/07/07/68/569070768.db2.gz QGUZIBPXYILQDT-UHFFFAOYSA-N 0 0 407.363 5.178 50 0 HKAARN CCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc3c2C1 ZINC000054313675 569070728 /nfs/dbraw/zinc/07/07/28/569070728.db2.gz CFWCPCZQDUHAAH-UHFFFAOYSA-N 0 0 419.399 5.049 50 0 biogenic HKAARN CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 ZINC000054313681 569070733 /nfs/dbraw/zinc/07/07/33/569070733.db2.gz QYWIRKROMFVHBU-UHFFFAOYSA-N 0 0 413.901 5.080 50 0 biogenic HKAARN FC(F)(F)c1cccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 ZINC000054363662 569072419 /nfs/dbraw/zinc/07/24/19/569072419.db2.gz VNPPNNLFYMGZSR-UHFFFAOYSA-N 0 0 420.403 6.535 50 0 HKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2c(F)cc(F)cc2F)o1 ZINC000054476854 569284970 /nfs/dbraw/zinc/28/49/70/569284970.db2.gz NELFGEGUUJBNCA-UHFFFAOYSA-N 0 0 403.385 5.410 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2)oc1C ZINC000054672955 569293721 /nfs/dbraw/zinc/29/37/21/569293721.db2.gz KJKGEUVZGDISLH-UHFFFAOYSA-N 0 0 410.564 6.079 50 0 HKAARN O=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)c1ccncc1 ZINC000054836827 569324620 /nfs/dbraw/zinc/32/46/20/569324620.db2.gz JCAVABCRVDSDFC-UHFFFAOYSA-N 0 0 406.795 5.013 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)F)cc1)NC2 ZINC000054979033 569372951 /nfs/dbraw/zinc/37/29/51/569372951.db2.gz GJGRKIZTUVNDSX-QFIPXVFZSA-N 0 0 414.452 5.069 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)F)cc1)NC2 ZINC000054979034 569372961 /nfs/dbraw/zinc/37/29/61/569372961.db2.gz GJGRKIZTUVNDSX-JOCHJYFZSA-N 0 0 414.452 5.069 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(C(F)(F)F)c1)NC2 ZINC000055028088 569375846 /nfs/dbraw/zinc/37/58/46/569375846.db2.gz CQOBAAMBTUVMNK-QFIPXVFZSA-N 0 0 416.443 5.486 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(C(F)(F)F)c1)NC2 ZINC000055028089 569375801 /nfs/dbraw/zinc/37/58/01/569375801.db2.gz CQOBAAMBTUVMNK-JOCHJYFZSA-N 0 0 416.443 5.486 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(C(F)(F)F)cc1)NC2 ZINC000055028119 569375764 /nfs/dbraw/zinc/37/57/64/569375764.db2.gz GEUWHJBCIBWOJZ-QFIPXVFZSA-N 0 0 416.443 5.486 50 0 HKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C(F)(F)F)cc1)NC2 ZINC000055028120 569375743 /nfs/dbraw/zinc/37/57/43/569375743.db2.gz GEUWHJBCIBWOJZ-JOCHJYFZSA-N 0 0 416.443 5.486 50 0 HKAARN CC(=O)c1ccc(N2CCN(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 ZINC000055031497 558869895 /nfs/dbraw/zinc/86/98/95/558869895.db2.gz FWANRMMBMWJHNU-UHFFFAOYSA-N 0 0 422.613 5.512 50 0 HKAARN CC(C)(C)n1nc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1C1CC1 ZINC000055038155 569376168 /nfs/dbraw/zinc/37/61/68/569376168.db2.gz SFCSZQUFDZZLLT-UHFFFAOYSA-N 0 0 401.601 5.637 50 0 HKAARN Cc1c([C@@H](C)NCc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1ccccc1 ZINC000055042196 558870426 /nfs/dbraw/zinc/87/04/26/558870426.db2.gz FJRONZTTXBYDCB-MRXNPFEDSA-N 0 0 403.917 5.142 50 0 HKAARN Cc1c([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1ccccc1 ZINC000055042197 558870373 /nfs/dbraw/zinc/87/03/73/558870373.db2.gz FJRONZTTXBYDCB-INIZCTEOSA-N 0 0 403.917 5.142 50 0 HKAARN Cc1ccc(C)c(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)ccc4C)cc3)cc2)c1 ZINC000055048332 558870692 /nfs/dbraw/zinc/87/06/92/558870692.db2.gz AMDSCXLLKXHWOJ-IWGRKNQJSA-N 0 0 414.592 8.928 50 0 HKAARN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@@H](C)c1ccccc1Cl ZINC000055054595 558870820 /nfs/dbraw/zinc/87/08/20/558870820.db2.gz HRZPZFUQOUSERO-SFHVURJKSA-N 0 0 424.976 5.163 50 0 HKAARN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@H](C)c1ccccc1Cl ZINC000055054598 558870842 /nfs/dbraw/zinc/87/08/42/558870842.db2.gz HRZPZFUQOUSERO-GOSISDBHSA-N 0 0 424.976 5.163 50 0 HKAARN CCc1ccc(-c2cc(C(=O)N3CCN(CC)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000055057211 569380766 /nfs/dbraw/zinc/38/07/66/569380766.db2.gz SQDUAGQPHAUEHU-UHFFFAOYSA-N 0 0 421.972 5.204 50 0 HKAARN COc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)c2ccccc12 ZINC000055071820 569385586 /nfs/dbraw/zinc/38/55/86/569385586.db2.gz UEDWQEUVVWTXHV-UHFFFAOYSA-N 0 0 413.521 5.134 50 0 HKAARN CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2 ZINC000055088377 558871764 /nfs/dbraw/zinc/87/17/64/558871764.db2.gz JXWZAUKBOCLGKK-UHFFFAOYSA-N 0 0 416.546 5.757 50 0 HKAARN Cc1c([C@@H](C)NCc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1ccccc1 ZINC000055099448 558872329 /nfs/dbraw/zinc/87/23/29/558872329.db2.gz PTDNNPQULRHUMJ-LJQANCHMSA-N 0 0 419.532 5.642 50 0 HKAARN Cc1c([C@H](C)NCc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1ccccc1 ZINC000055099451 558872405 /nfs/dbraw/zinc/87/24/05/558872405.db2.gz PTDNNPQULRHUMJ-IBGZPJMESA-N 0 0 419.532 5.642 50 0 HKAARN O=c1[nH]c2ccccc2nc1SCc1csc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000055104348 558872644 /nfs/dbraw/zinc/87/26/44/558872644.db2.gz PCULNYRXWQHTJU-UHFFFAOYSA-N 0 0 409.580 5.140 50 0 HKAARN O=C(c1ccccc1OC1CCN(Cc2ccc(Cl)s2)CC1)N1CCCCC1 ZINC000055119024 558873056 /nfs/dbraw/zinc/87/30/56/558873056.db2.gz UBULDDQVNUZSRB-UHFFFAOYSA-N 0 0 418.990 5.071 50 0 HKAARN Clc1ccc(CN2CCN(c3ncnc4c5ccccc5oc43)CC2)c(Cl)c1 ZINC000055124296 558873261 /nfs/dbraw/zinc/87/32/61/558873261.db2.gz ZBMGGYWHXVVLEM-UHFFFAOYSA-N 0 0 413.308 5.005 50 0 HKAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132667 558873425 /nfs/dbraw/zinc/87/34/25/558873425.db2.gz WNRWQDPQPRGMOA-NRFANRHFSA-N 0 0 417.578 5.269 50 0 HKAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132670 558873468 /nfs/dbraw/zinc/87/34/68/558873468.db2.gz WNRWQDPQPRGMOA-OAQYLSRUSA-N 0 0 417.578 5.269 50 0 HKAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(F)cc2F)C3)c1 ZINC000055133822 558873722 /nfs/dbraw/zinc/87/37/22/558873722.db2.gz ZZUJBOFNDFRONS-UHFFFAOYSA-N 0 0 411.448 5.044 50 0 HKAARN O=C(OCc1csc(-c2ccccn2)n1)c1ccc(C2SCCCS2)cc1 ZINC000055149486 569391083 /nfs/dbraw/zinc/39/10/83/569391083.db2.gz OVOULWAOGZQSLH-UHFFFAOYSA-N 0 0 414.577 5.431 50 0 HKAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1ccc(F)cc1)C2 ZINC000055152849 558874263 /nfs/dbraw/zinc/87/42/63/558874263.db2.gz QONWHTXIZODUFD-UHFFFAOYSA-N 0 0 420.509 5.506 50 0 HKAARN S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055157314 558874747 /nfs/dbraw/zinc/87/47/47/558874747.db2.gz ZYYDWTRSGZKWBS-QPJJXVBHSA-N 0 0 406.382 5.021 50 0 HKAARN Clc1cccc(-n2nnnc2[C@@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c1 ZINC000055190504 569392600 /nfs/dbraw/zinc/39/26/00/569392600.db2.gz JYRMPEYOZLYMJZ-GOSISDBHSA-N 0 0 422.747 5.198 50 0 HKAARN Clc1cccc(-n2nnnc2[C@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c1 ZINC000055190505 569392694 /nfs/dbraw/zinc/39/26/94/569392694.db2.gz JYRMPEYOZLYMJZ-SFHVURJKSA-N 0 0 422.747 5.198 50 0 HKAARN Cc1ccc(-c2nn(CN(Cc3ccccc3)Cc3ccccc3)c(=S)o2)cc1 ZINC000055195696 569393187 /nfs/dbraw/zinc/39/31/87/569393187.db2.gz XUBVSACACRSNFL-UHFFFAOYSA-N 0 0 401.535 5.841 50 0 HKAARN COc1ccc(-c2nc(CN(C)Cc3ccccc3C(F)(F)F)c(C)o2)cc1OC ZINC000055198336 558875803 /nfs/dbraw/zinc/87/58/03/558875803.db2.gz ZWSZJBDDFPLFHR-UHFFFAOYSA-N 0 0 420.431 5.318 50 0 HKAARN COc1ccccc1CN(Cc1cccnc1)Cc1cc(F)c(OC)c(Cl)c1 ZINC000055211208 558876018 /nfs/dbraw/zinc/87/60/18/558876018.db2.gz BFZJGWYKPSMOIU-UHFFFAOYSA-N 0 0 400.881 5.094 50 0 HKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000055211283 558875994 /nfs/dbraw/zinc/87/59/94/558875994.db2.gz OIOLIAALUCFTOE-UHFFFAOYSA-N 0 0 402.325 5.279 50 0 HKAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)Cc1ccc2nsnc2c1 ZINC000055225191 558876467 /nfs/dbraw/zinc/87/64/67/558876467.db2.gz HWIUCWSKVSYUOK-UHFFFAOYSA-N 0 0 400.507 5.440 50 0 HKAARN Cc1ccsc1CN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1 ZINC000055226878 558876729 /nfs/dbraw/zinc/87/67/29/558876729.db2.gz BZLXYZQICZRBSP-UHFFFAOYSA-N 0 0 402.523 5.236 50 0 HKAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccccc1Cl ZINC000055236072 569395446 /nfs/dbraw/zinc/39/54/46/569395446.db2.gz QPEGYIVVKWCUBP-UHFFFAOYSA-N 0 0 408.933 5.090 50 0 HKAARN Cc1nc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)oc1C ZINC000055236861 569395443 /nfs/dbraw/zinc/39/54/43/569395443.db2.gz XZMDVYDWQWPCOB-UHFFFAOYSA-N 0 0 400.114 5.636 50 0 HKAARN COc1cc(Br)c(CN(C)Cc2cccc3ccccc32)cc1OC ZINC000055291816 558878599 /nfs/dbraw/zinc/87/85/99/558878599.db2.gz MZXFOODZTYOSMM-UHFFFAOYSA-N 0 0 400.316 5.252 50 0 HKAARN Cc1cccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1C ZINC000055292137 558878529 /nfs/dbraw/zinc/87/85/29/558878529.db2.gz AXHAJKOQLFNSKW-UHFFFAOYSA-N 0 0 417.336 5.039 50 0 HKAARN COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1OCc1ccccc1 ZINC000055292266 558878613 /nfs/dbraw/zinc/87/86/13/558878613.db2.gz CQWXYFVWYBTJAF-UHFFFAOYSA-N 0 0 422.956 5.250 50 0 HKAARN O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292323 558878535 /nfs/dbraw/zinc/87/85/35/558878535.db2.gz HCRRWWGPDRINHI-UHFFFAOYSA-N 0 0 423.727 5.075 50 0 aggregator HKAARN Cc1ccc(C)c(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1 ZINC000055292327 558878728 /nfs/dbraw/zinc/87/87/28/558878728.db2.gz YEYIJNICUJPRBK-UHFFFAOYSA-N 0 0 417.336 5.039 50 0 HKAARN O=c1c(CN2CCN(c3ccc(Cl)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292335 558878517 /nfs/dbraw/zinc/87/85/17/558878517.db2.gz MBIPSOIFAHBJAP-UHFFFAOYSA-N 0 0 423.727 5.075 50 0 HKAARN COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)ccc1OCc1ccccc1 ZINC000055292374 558878674 /nfs/dbraw/zinc/87/86/74/558878674.db2.gz WWFRCSNPLQDFDO-UHFFFAOYSA-N 0 0 422.956 5.250 50 0 HKAARN CN(C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2s1 ZINC000055336315 569403514 /nfs/dbraw/zinc/40/35/14/569403514.db2.gz KBNZLQLYBSJHTD-UHFFFAOYSA-N 0 0 416.593 5.207 50 0 HKAARN Cc1c([C@H](C)NCc2cnc(-c3cccc(C)c3)nc2)cnn1-c1ccc(F)cc1F ZINC000055341686 558879331 /nfs/dbraw/zinc/87/93/31/558879331.db2.gz SEIHGKCUJYFWCK-INIZCTEOSA-N 0 0 419.479 5.075 50 0 HKAARN Cc1c([C@@H](C)NCc2cnc(-c3cccc(C)c3)nc2)cnn1-c1ccc(F)cc1F ZINC000055341690 558879306 /nfs/dbraw/zinc/87/93/06/558879306.db2.gz SEIHGKCUJYFWCK-MRXNPFEDSA-N 0 0 419.479 5.075 50 0 HKAARN COc1ccc(-c2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)c(OC)c1 ZINC000055343176 558879692 /nfs/dbraw/zinc/87/96/92/558879692.db2.gz KADWDPZVYRXRQT-UHFFFAOYSA-N 0 0 420.431 5.318 50 0 HKAARN Cc1ccccc1-c1ncc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359925 558880174 /nfs/dbraw/zinc/88/01/74/558880174.db2.gz OVWLHCTXVBHGQA-FQEVSTJZSA-N 0 0 405.929 5.200 50 0 HKAARN Cc1ccccc1-c1ncc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359928 558880180 /nfs/dbraw/zinc/88/01/80/558880180.db2.gz OVWLHCTXVBHGQA-HXUWFJFHSA-N 0 0 405.929 5.200 50 0 HKAARN COC(=O)c1ccc(-c2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)cc1 ZINC000055370084 558880440 /nfs/dbraw/zinc/88/04/40/558880440.db2.gz ILMXVHLSLNGYEV-UHFFFAOYSA-N 0 0 418.415 5.087 50 0 HKAARN Cc1cc(CSc2ncccc2C(=O)Nc2nc3c(s2)CCCCCC3)no1 ZINC000055375042 568772586 /nfs/dbraw/zinc/77/25/86/568772586.db2.gz JVTLTQMJWWLSKG-UHFFFAOYSA-N 0 0 414.556 5.038 50 0 HKAARN CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cccnc1 ZINC000055385536 558880808 /nfs/dbraw/zinc/88/08/08/558880808.db2.gz POAFEOCYQYLZDC-UHFFFAOYSA-N 0 0 408.505 5.372 50 0 HKAARN COc1ccc(CN2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000055393765 568773579 /nfs/dbraw/zinc/77/35/79/568773579.db2.gz ITZMJKXCZYAVNB-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 biogenic HKAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccco1)CO3 ZINC000055393775 568773578 /nfs/dbraw/zinc/77/35/78/568773578.db2.gz UCJURLPRAUDZNH-UHFFFAOYSA-N 0 0 421.880 5.291 50 0 HKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccc(F)cc1)CO3 ZINC000055393803 568773561 /nfs/dbraw/zinc/77/35/61/568773561.db2.gz LNHGYCPGXZMXEV-UHFFFAOYSA-N 0 0 415.464 5.183 50 0 HKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(Cc1ccccc1Cl)CO2 ZINC000055393830 568773590 /nfs/dbraw/zinc/77/35/90/568773590.db2.gz FCRXBODEGDOIKD-UHFFFAOYSA-N 0 0 409.913 5.376 50 0 HKAARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(C)cc1)C2 ZINC000055393858 568773560 /nfs/dbraw/zinc/77/35/60/568773560.db2.gz DMEIMJVJUQKSFO-UHFFFAOYSA-N 0 0 411.501 5.683 50 0 aggregator HKAARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(F)cc1)C2 ZINC000055396194 568773576 /nfs/dbraw/zinc/77/35/76/568773576.db2.gz YWEYLAQXHXWVEI-UHFFFAOYSA-N 0 0 415.464 5.514 50 0 aggregator HKAARN Cc1ccc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000055396216 568773556 /nfs/dbraw/zinc/77/35/56/568773556.db2.gz AVESFHFBJQQCHD-UHFFFAOYSA-N 0 0 411.501 5.353 50 0 biogenic HKAARN CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1C ZINC000055415023 558881366 /nfs/dbraw/zinc/88/13/66/558881366.db2.gz NSUOJNQJABKARO-UHFFFAOYSA-N 0 0 407.518 5.010 50 0 HKAARN COc1cc2c(cc1CN1CCN(c3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000055447579 558881294 /nfs/dbraw/zinc/88/12/94/558881294.db2.gz GFDCLMSBUOZIAU-UHFFFAOYSA-N 0 0 412.533 5.739 50 0 HKAARN S=C(Nc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055494913 558881600 /nfs/dbraw/zinc/88/16/00/558881600.db2.gz MSSGHTHUQWQEGO-QPJJXVBHSA-N 0 0 406.382 5.021 50 0 HKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc(F)c1 ZINC000055526919 558881829 /nfs/dbraw/zinc/88/18/29/558881829.db2.gz JCFJXYSOMXGRIO-UHFFFAOYSA-N 0 0 423.919 5.054 50 0 HKAARN CCOc1ccccc1N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000055543196 558882012 /nfs/dbraw/zinc/88/20/12/558882012.db2.gz IKVYFWSBVUOHFR-UHFFFAOYSA-N 0 0 422.956 5.853 50 0 HKAARN COc1ccccc1N1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055543362 558882026 /nfs/dbraw/zinc/88/20/26/558882026.db2.gz VJYTUYXQSCATHG-UHFFFAOYSA-N 0 0 410.602 5.318 50 0 HKAARN CC(C)(C)c1cc(CN2CCN(c3ccccc3Cl)CC2)cc(C(C)(C)C)c1O ZINC000055543923 558881985 /nfs/dbraw/zinc/88/19/85/558881985.db2.gz SKOSMEMHSPEXMV-UHFFFAOYSA-N 0 0 415.021 5.963 50 0 HKAARN CCOc1ccccc1N1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055544049 558882017 /nfs/dbraw/zinc/88/20/17/558882017.db2.gz OCDSODJBMMFMNR-UHFFFAOYSA-N 0 0 424.629 5.708 50 0 HKAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1 ZINC000055549849 558882285 /nfs/dbraw/zinc/88/22/85/558882285.db2.gz ACHMGWNIZPALEQ-SFHVURJKSA-N 0 0 417.557 5.067 50 0 aggregator HKAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1 ZINC000055549850 558882307 /nfs/dbraw/zinc/88/23/07/558882307.db2.gz ACHMGWNIZPALEQ-GOSISDBHSA-N 0 0 417.557 5.067 50 0 aggregator HKAARN FC(F)(F)c1cccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000055554728 568779395 /nfs/dbraw/zinc/77/93/95/568779395.db2.gz HGMXYIWNLCEEPR-UHFFFAOYSA-N 0 0 403.473 5.151 50 0 HKAARN C[C@@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568856 558882890 /nfs/dbraw/zinc/88/28/90/558882890.db2.gz HQKUVOIPKRJNRK-IBGZPJMESA-N 0 0 423.520 5.328 50 0 HKAARN C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568857 558882906 /nfs/dbraw/zinc/88/29/06/558882906.db2.gz HQKUVOIPKRJNRK-LJQANCHMSA-N 0 0 423.520 5.328 50 0 HKAARN COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(Cc1ccc(C)cc1)C2 ZINC000055575548 558883176 /nfs/dbraw/zinc/88/31/76/558883176.db2.gz NOETXIQMDZOJAB-UHFFFAOYSA-N 0 0 410.517 5.613 50 0 HKAARN COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1c(F)cccc1F)C2 ZINC000055575780 558883213 /nfs/dbraw/zinc/88/32/13/558883213.db2.gz GYWHFVVJPJQFRB-UHFFFAOYSA-N 0 0 401.478 5.405 50 0 HKAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575971 558883118 /nfs/dbraw/zinc/88/31/18/558883118.db2.gz XSZAUCRPZOGUAM-FQEVSTJZSA-N 0 0 417.578 5.269 50 0 HKAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575973 558883192 /nfs/dbraw/zinc/88/31/92/558883192.db2.gz XSZAUCRPZOGUAM-HXUWFJFHSA-N 0 0 417.578 5.269 50 0 HKAARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2sc3ccccc3c2s1 ZINC000055841558 568784148 /nfs/dbraw/zinc/78/41/48/568784148.db2.gz OUEXGMUKZBWATQ-UHFFFAOYSA-N 0 0 410.520 5.079 50 0 HKAARN Clc1cnc(Oc2ccccc2NCc2nc(-c3ccsc3)no2)c(Cl)c1 ZINC000055867386 568784403 /nfs/dbraw/zinc/78/44/03/568784403.db2.gz CZNISWGIYMPABZ-UHFFFAOYSA-N 0 0 419.293 5.904 50 0 HKAARN Cc1cc(C)n(-c2ccc(CNc3cccc(NC(=O)c4ccccc4)c3C)cc2)n1 ZINC000055884120 568784259 /nfs/dbraw/zinc/78/42/59/568784259.db2.gz PYMIJSZGKFHZNR-UHFFFAOYSA-N 0 0 410.521 5.662 50 0 HKAARN COc1ccc(-n2ccc(C(=O)Nc3cccc(C4SCCCS4)c3)n2)cc1 ZINC000055979482 568784653 /nfs/dbraw/zinc/78/46/53/568784653.db2.gz NILBUWXNYXPJSZ-UHFFFAOYSA-N 0 0 411.552 5.002 50 0 HKAARN Cc1nc(C)c([C@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1 ZINC000056023248 568784908 /nfs/dbraw/zinc/78/49/08/568784908.db2.gz XFVGUYFGQMXROH-LBPRGKRZSA-N 0 0 412.540 5.132 50 0 HKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1 ZINC000056023249 568785022 /nfs/dbraw/zinc/78/50/22/568785022.db2.gz XFVGUYFGQMXROH-GFCCVEGCSA-N 0 0 412.540 5.132 50 0 HKAARN CCOc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1CO ZINC000056205882 568793218 /nfs/dbraw/zinc/79/32/18/568793218.db2.gz HQEUWIBKWVZPJN-DEOSSOPVSA-N 0 0 400.478 5.095 50 0 HKAARN CCOc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1CO ZINC000056205883 568793255 /nfs/dbraw/zinc/79/32/55/568793255.db2.gz HQEUWIBKWVZPJN-XMMPIXPASA-N 0 0 400.478 5.095 50 0 HKAARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000056327616 568801530 /nfs/dbraw/zinc/80/15/30/568801530.db2.gz NVIGSBZHXHMEKN-UHFFFAOYSA-N 0 0 409.898 5.398 50 0 HKAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000056337188 568801713 /nfs/dbraw/zinc/80/17/13/568801713.db2.gz CAFQTHCPFMCYNU-GOSISDBHSA-N 0 0 410.926 5.095 50 0 HKAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000056337189 568801705 /nfs/dbraw/zinc/80/17/05/568801705.db2.gz CAFQTHCPFMCYNU-SFHVURJKSA-N 0 0 410.926 5.095 50 0 HKAARN CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl ZINC000056436158 568806601 /nfs/dbraw/zinc/80/66/01/568806601.db2.gz PJNJNFGCSWROOI-UHFFFAOYSA-N 0 0 403.265 5.208 50 0 HKAARN Cc1csc(N2CCCN(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)n1 ZINC000056521711 568809798 /nfs/dbraw/zinc/80/97/98/568809798.db2.gz RWLAXPOZIZNSQL-UHFFFAOYSA-N 0 0 400.592 5.443 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)oc1C ZINC000056731091 568814314 /nfs/dbraw/zinc/81/43/14/568814314.db2.gz RLXQEFFTSWWECH-UHFFFAOYSA-N 0 0 403.482 5.085 50 0 HKAARN Cc1sc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 ZINC000056790701 568815886 /nfs/dbraw/zinc/81/58/86/568815886.db2.gz PAAUALXSRNTFQS-ZDUSSCGKSA-N 0 0 417.884 5.256 50 0 HKAARN Cc1sc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 ZINC000056790702 568815835 /nfs/dbraw/zinc/81/58/35/568815835.db2.gz PAAUALXSRNTFQS-CYBMUJFWSA-N 0 0 417.884 5.256 50 0 HKAARN Cc1sc(CNC(=O)N2CCC[C@@H]2c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000056790930 568815938 /nfs/dbraw/zinc/81/59/38/568815938.db2.gz XEAPCIMGCUTOLV-GOSISDBHSA-N 0 0 412.946 5.214 50 0 HKAARN Cc1sc(CNC(=O)N2CCC[C@H]2c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000056790931 568815924 /nfs/dbraw/zinc/81/59/24/568815924.db2.gz XEAPCIMGCUTOLV-SFHVURJKSA-N 0 0 412.946 5.214 50 0 HKAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)c2)nn1 ZINC000056906668 568821050 /nfs/dbraw/zinc/82/10/50/568821050.db2.gz MRSJHYUBIUELME-UHFFFAOYSA-N 0 0 421.460 5.144 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)c3cccc(Oc4ccc(C)nn4)c3)cc2)cs1 ZINC000056906687 568821074 /nfs/dbraw/zinc/82/10/74/568821074.db2.gz PIKCRKVVNXCMLG-UHFFFAOYSA-N 0 0 402.479 5.262 50 0 HKAARN Cc1csc(COc2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)n1 ZINC000056907706 526364849 /nfs/dbraw/zinc/36/48/49/526364849.db2.gz YPPZFQKFMOFGKB-UHFFFAOYSA-N 0 0 410.392 5.441 50 0 HKAARN Cc1csc(COc2ccc(C(=O)Nc3ccccc3OC(F)(F)F)cc2)n1 ZINC000056907739 526364307 /nfs/dbraw/zinc/36/43/07/526364307.db2.gz XRZNXHLKUZPDKZ-UHFFFAOYSA-N 0 0 408.401 5.181 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907793 524242344 /nfs/dbraw/zinc/24/23/44/524242344.db2.gz FQAQLZFKGURAED-UHFFFAOYSA-N 0 0 414.914 5.514 50 0 HKAARN O=C(Nc1nc2ccccc2s1)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907799 527516316 /nfs/dbraw/zinc/51/63/16/527516316.db2.gz ODAMUTIILAVIRH-UHFFFAOYSA-N 0 0 407.520 5.462 50 0 HKAARN O=C(Nc1cccc2cccnc21)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907816 527384736 /nfs/dbraw/zinc/38/47/36/527384736.db2.gz FQGPWALPOOTYAH-UHFFFAOYSA-N 0 0 401.491 5.400 50 0 HKAARN Cc1nc2cc(NC(=O)c3ccc(OCc4nc(C5CC5)cs4)cc3)ccc2s1 ZINC000056907823 527129259 /nfs/dbraw/zinc/12/92/59/527129259.db2.gz ODQONWCCZZZXJW-UHFFFAOYSA-N 0 0 421.547 5.770 50 0 HKAARN CC(C)(C)c1nc2cc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)ccc2o1 ZINC000056909202 519105988 /nfs/dbraw/zinc/10/59/88/519105988.db2.gz UZLKMKIABCBDTO-UHFFFAOYSA-N 0 0 408.424 5.348 50 0 HKAARN O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000057011091 568823364 /nfs/dbraw/zinc/82/33/64/568823364.db2.gz UUEZFPBYCYDAJA-IAGOWNOFSA-N 0 0 416.135 5.810 50 0 HKAARN O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000057011094 568823353 /nfs/dbraw/zinc/82/33/53/568823353.db2.gz UUEZFPBYCYDAJA-SJORKVTESA-N 0 0 416.135 5.810 50 0 HKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(Cl)cc1Cl)CO2 ZINC000057099724 568824146 /nfs/dbraw/zinc/82/41/46/568824146.db2.gz KBAFFPYRTWEQRS-UHFFFAOYSA-N 0 0 416.304 5.249 50 0 HKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(Cl)c(Cl)c1)CO2 ZINC000057105810 568824144 /nfs/dbraw/zinc/82/41/44/568824144.db2.gz PUGNUXOYMXIMJE-UHFFFAOYSA-N 0 0 416.304 5.249 50 0 HKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(C(F)(F)F)c1)CO3 ZINC000057110936 568824071 /nfs/dbraw/zinc/82/40/71/568824071.db2.gz IVCLENLCZVEVOL-UHFFFAOYSA-N 0 0 403.400 5.035 50 0 HKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1c(F)cccc1Cl)CO3 ZINC000057121223 568824385 /nfs/dbraw/zinc/82/43/85/568824385.db2.gz YWYNOYOSVIVYAN-UHFFFAOYSA-N 0 0 401.865 5.199 50 0 HKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)c(Cl)c1)CO3 ZINC000057122069 568824263 /nfs/dbraw/zinc/82/42/63/568824263.db2.gz GFYYSBVFVBKNOC-UHFFFAOYSA-N 0 0 418.320 5.713 50 0 HKAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1c(F)cccc1Cl)CO2 ZINC000057140925 568824521 /nfs/dbraw/zinc/82/45/21/568824521.db2.gz ADZGCMXWLNRMPZ-UHFFFAOYSA-N 0 0 413.876 5.125 50 0 HKAARN CCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C(F)(F)F)oc3c2C1 ZINC000057165235 568824691 /nfs/dbraw/zinc/82/46/91/568824691.db2.gz QIOLUTARHGGUGQ-UHFFFAOYSA-N 0 0 419.399 5.049 50 0 HKAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1Cl ZINC000057243091 558887966 /nfs/dbraw/zinc/88/79/66/558887966.db2.gz GECFIDMFKJFFNI-UHFFFAOYSA-N 0 0 423.919 5.054 50 0 HKAARN c1sc2ncnc(Nc3ccc(NC4CCOCC4)cc3)c2c1-c1ccccc1 ZINC000057265302 568825229 /nfs/dbraw/zinc/82/52/29/568825229.db2.gz GLQYGZKGCTVNML-UHFFFAOYSA-N 0 0 402.523 5.693 50 0 HKAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)ccc21 ZINC000057265386 568825239 /nfs/dbraw/zinc/82/52/39/568825239.db2.gz INICPRKGRWJCJT-UHFFFAOYSA-N 0 0 421.884 5.079 50 0 HKAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057270644 568825519 /nfs/dbraw/zinc/82/55/19/568825519.db2.gz NNBODUYSYNVXCN-VWLOTQADSA-N 0 0 419.594 5.446 50 0 HKAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057270645 568825411 /nfs/dbraw/zinc/82/54/11/568825411.db2.gz NNBODUYSYNVXCN-RUZDIDTESA-N 0 0 419.594 5.446 50 0 HKAARN CC1CCN(c2ccc(NC(=O)CN[C@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000057270646 568825413 /nfs/dbraw/zinc/82/54/13/568825413.db2.gz BLKJYDDRJBPCBA-VWLOTQADSA-N 0 0 419.594 5.302 50 0 HKAARN CC1CCN(c2ccc(NC(=O)CN[C@@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000057270647 568825416 /nfs/dbraw/zinc/82/54/16/568825416.db2.gz BLKJYDDRJBPCBA-RUZDIDTESA-N 0 0 419.594 5.302 50 0 HKAARN CCc1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 ZINC000057270662 568825529 /nfs/dbraw/zinc/82/55/29/568825529.db2.gz RPTIDLVECVXBKE-VWLOTQADSA-N 0 0 420.532 5.017 50 0 HKAARN CCc1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 ZINC000057270663 568825418 /nfs/dbraw/zinc/82/54/18/568825418.db2.gz RPTIDLVECVXBKE-RUZDIDTESA-N 0 0 420.532 5.017 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270852 568825425 /nfs/dbraw/zinc/82/54/25/568825425.db2.gz UYLSUYNEORYNLZ-AREMUKBSSA-N 0 0 424.548 5.052 50 0 HKAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000057270853 568825408 /nfs/dbraw/zinc/82/54/08/568825408.db2.gz UYLSUYNEORYNLZ-SANMLTNESA-N 0 0 424.548 5.052 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000057273801 568825672 /nfs/dbraw/zinc/82/56/72/568825672.db2.gz OPQPOFNFCCVJQY-UHFFFAOYSA-N 0 0 402.519 5.796 50 0 HKAARN C[C@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281331 568825637 /nfs/dbraw/zinc/82/56/37/568825637.db2.gz AUWGLUHSDQKTAB-QFBILLFUSA-N 0 0 419.550 5.447 50 0 HKAARN C[C@@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000057281334 568825695 /nfs/dbraw/zinc/82/56/95/568825695.db2.gz AUWGLUHSDQKTAB-VQIMIIECSA-N 0 0 419.550 5.447 50 0 HKAARN CC(C)c1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057286309 568825983 /nfs/dbraw/zinc/82/59/83/568825983.db2.gz DKSMITHHYPTPGE-DEOSSOPVSA-N 0 0 422.598 5.501 50 0 HKAARN CC(C)c1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057286311 568825887 /nfs/dbraw/zinc/82/58/87/568825887.db2.gz DKSMITHHYPTPGE-XMMPIXPASA-N 0 0 422.598 5.501 50 0 HKAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057289784 568825966 /nfs/dbraw/zinc/82/59/66/568825966.db2.gz XVSADSWUCWGNDG-DEOSSOPVSA-N 0 0 405.567 5.056 50 0 HKAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057289786 568825897 /nfs/dbraw/zinc/82/58/97/568825897.db2.gz XVSADSWUCWGNDG-XMMPIXPASA-N 0 0 405.567 5.056 50 0 HKAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C(C)C ZINC000057291674 558887963 /nfs/dbraw/zinc/88/79/63/558887963.db2.gz HCQGNPAXGOUXGJ-UHFFFAOYSA-N 0 0 424.501 5.451 50 0 HKAARN Cc1nnc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1C1CCCCC1 ZINC000057293370 568826118 /nfs/dbraw/zinc/82/61/18/568826118.db2.gz GGZYIKLJAJOZAH-UHFFFAOYSA-N 0 0 420.582 5.413 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293378 568826221 /nfs/dbraw/zinc/82/62/21/568826221.db2.gz ATRAFPXKMIBIBL-AREMUKBSSA-N 0 0 424.548 5.301 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057293380 568826096 /nfs/dbraw/zinc/82/60/96/568826096.db2.gz ATRAFPXKMIBIBL-SANMLTNESA-N 0 0 424.548 5.301 50 0 HKAARN Cc1ccc(-c2csc3[nH]c(CN4CC=C(c5ccccc5)CC4)nc(=O)c23)s1 ZINC000057293405 568826147 /nfs/dbraw/zinc/82/61/47/568826147.db2.gz GBYQINFVVUHGCS-UHFFFAOYSA-N 0 0 419.575 5.311 50 0 HKAARN COc1ccccc1NC(=O)CN[C@H](c1cccs1)c1ccc(CC(C)C)cc1 ZINC000057323154 568827111 /nfs/dbraw/zinc/82/71/11/568827111.db2.gz CVPKTNWCJYWVAT-DEOSSOPVSA-N 0 0 408.567 5.273 50 0 HKAARN COc1ccccc1NC(=O)CN[C@@H](c1cccs1)c1ccc(CC(C)C)cc1 ZINC000057323156 568827066 /nfs/dbraw/zinc/82/70/66/568827066.db2.gz CVPKTNWCJYWVAT-XMMPIXPASA-N 0 0 408.567 5.273 50 0 HKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCCc3ccccc3)CO2)cc1 ZINC000057327464 568827140 /nfs/dbraw/zinc/82/71/40/568827140.db2.gz CDZABLLXCCAVDR-UHFFFAOYSA-N 0 0 411.501 5.553 50 0 HKAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000057331899 568827154 /nfs/dbraw/zinc/82/71/54/568827154.db2.gz VCSUQBUIIMVFRT-RHSMWYFYSA-N 0 0 407.564 5.611 50 0 HKAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C2CCCCCC2)C1 ZINC000057342023 568827291 /nfs/dbraw/zinc/82/72/91/568827291.db2.gz GBGMIYIMBIQEMD-UHFFFAOYSA-N 0 0 407.510 5.946 50 0 HKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2c2cccn2C)cc1Cl ZINC000057347704 568827322 /nfs/dbraw/zinc/82/73/22/568827322.db2.gz DQANOALZNZNFCP-GMAHTHKFSA-N 0 0 423.944 5.204 50 0 HKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000057347708 568827316 /nfs/dbraw/zinc/82/73/16/568827316.db2.gz DQANOALZNZNFCP-GGAORHGYSA-N 0 0 423.944 5.204 50 0 HKAARN Cc1ccc(COc2cccc3cc(-c4nc(-c5ccc(C)cc5)no4)c(=O)oc32)cc1 ZINC000057354723 568827499 /nfs/dbraw/zinc/82/74/99/568827499.db2.gz UKBARJITGPXDOY-UHFFFAOYSA-N 0 0 424.456 5.706 50 0 HKAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057355258 568827585 /nfs/dbraw/zinc/82/75/85/568827585.db2.gz ANEBQLPOMXPADM-XMMPIXPASA-N 0 0 423.557 5.195 50 0 HKAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057355260 568827594 /nfs/dbraw/zinc/82/75/94/568827594.db2.gz ANEBQLPOMXPADM-DEOSSOPVSA-N 0 0 423.557 5.195 50 0 HKAARN COc1ccc2cc(CN(C)[C@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358606 568827526 /nfs/dbraw/zinc/82/75/26/568827526.db2.gz IURSMCJPHHWGJA-CQSZACIVSA-N 0 0 406.555 5.245 50 0 HKAARN COc1ccc2cc(CN(C)[C@@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358608 568827504 /nfs/dbraw/zinc/82/75/04/568827504.db2.gz IURSMCJPHHWGJA-AWEZNQCLSA-N 0 0 406.555 5.245 50 0 HKAARN O=c1nc(CN(Cc2ccc(F)cc2)C2CC2)[nH]c2scc(-c3cccs3)c21 ZINC000057363714 568829063 /nfs/dbraw/zinc/82/90/63/568829063.db2.gz WTDISVDLKVCJDX-UHFFFAOYSA-N 0 0 411.527 5.017 50 0 HKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000057364140 568829309 /nfs/dbraw/zinc/82/93/09/568829309.db2.gz OCPJCRUEGNVWCK-UHFFFAOYSA-N 0 0 419.739 5.965 50 0 HKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000057364144 568829232 /nfs/dbraw/zinc/82/92/32/568829232.db2.gz HNBACUXLISJKJX-UHFFFAOYSA-N 0 0 424.569 6.156 50 0 HKAARN COc1cc(CN(C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373725 568830264 /nfs/dbraw/zinc/83/02/64/568830264.db2.gz COOUGXMONRWCQQ-LBPRGKRZSA-N 0 0 421.360 5.269 50 0 HKAARN COc1cc(CN(C)[C@H](C)c2nc3ccccc3s2)c(OC)cc1Br ZINC000057373726 568830254 /nfs/dbraw/zinc/83/02/54/568830254.db2.gz COOUGXMONRWCQQ-GFCCVEGCSA-N 0 0 421.360 5.269 50 0 HKAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)s1 ZINC000057380615 568830433 /nfs/dbraw/zinc/83/04/33/568830433.db2.gz WLWSBLNPRXTDIG-OAQYLSRUSA-N 0 0 414.958 5.612 50 0 HKAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)s1 ZINC000057380617 568830338 /nfs/dbraw/zinc/83/03/38/568830338.db2.gz WLWSBLNPRXTDIG-NRFANRHFSA-N 0 0 414.958 5.612 50 0 HKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CC(=O)Nc2ccccc21 ZINC000057390742 568831596 /nfs/dbraw/zinc/83/15/96/568831596.db2.gz VPKYNTONVYPZJZ-UHFFFAOYSA-N 0 0 408.910 5.231 50 0 HKAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000057392033 568831545 /nfs/dbraw/zinc/83/15/45/568831545.db2.gz ZQWGNTUGQFXHJZ-VWLOTQADSA-N 0 0 414.530 5.858 50 0 HKAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000057392035 568831555 /nfs/dbraw/zinc/83/15/55/568831555.db2.gz ZQWGNTUGQFXHJZ-RUZDIDTESA-N 0 0 414.530 5.858 50 0 HKAARN CCN(Cc1ccccc1)Cn1c2ccccc2n(CCc2ccccc2)c1=S ZINC000057395102 568831560 /nfs/dbraw/zinc/83/15/60/568831560.db2.gz IJODFIIMRZCHIS-UHFFFAOYSA-N 0 0 401.579 5.895 50 0 HKAARN CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S ZINC000057395315 568831584 /nfs/dbraw/zinc/83/15/84/568831584.db2.gz WEUVDZVAYOGXCW-UHFFFAOYSA-N 0 0 418.488 5.389 50 0 HKAARN CCCCN1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 ZINC000057396317 568831572 /nfs/dbraw/zinc/83/15/72/568831572.db2.gz WOSGNLAGAKLKFE-UHFFFAOYSA-N 0 0 409.584 5.207 50 0 HKAARN CC(C)c1ccc(Nc2nn(CN(Cc3cccnc3)C3CC3)c(=S)s2)cc1 ZINC000057407613 568832969 /nfs/dbraw/zinc/83/29/69/568832969.db2.gz MVKJTICXZICRQZ-UHFFFAOYSA-N 0 0 411.600 5.558 50 0 HKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412075 568832961 /nfs/dbraw/zinc/83/29/61/568832961.db2.gz QZLLVKOUJAABAF-UHFFFAOYSA-N 0 0 401.853 5.213 50 0 HKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412228 568832919 /nfs/dbraw/zinc/83/29/19/568832919.db2.gz FDGVTXLXCMOPHK-UHFFFAOYSA-N 0 0 403.869 5.561 50 0 HKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412251 568833114 /nfs/dbraw/zinc/83/31/14/568833114.db2.gz OUUGMXYOPSBSNP-UHFFFAOYSA-N 0 0 401.853 5.213 50 0 HKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412508 568833096 /nfs/dbraw/zinc/83/30/96/568833096.db2.gz FPWSSZGUAXSQNV-UHFFFAOYSA-N 0 0 403.869 5.561 50 0 HKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412528 568833090 /nfs/dbraw/zinc/83/30/90/568833090.db2.gz GPNVTOSVVBKNBZ-UHFFFAOYSA-N 0 0 401.853 5.213 50 0 HKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)ccc21 ZINC000057412573 568833161 /nfs/dbraw/zinc/83/31/61/568833161.db2.gz BFOXDIWWDFUTAI-UHFFFAOYSA-N 0 0 414.896 6.110 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)c(OC)c1 ZINC000057412888 568833165 /nfs/dbraw/zinc/83/31/65/568833165.db2.gz FERMJCJJFLUCGR-UHFFFAOYSA-N 0 0 415.449 5.139 50 0 HKAARN O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000057413169 568833274 /nfs/dbraw/zinc/83/32/74/568833274.db2.gz XURPLYWSHBYJJR-UHFFFAOYSA-N 0 0 410.246 5.384 50 0 HKAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057413190 568833372 /nfs/dbraw/zinc/83/33/72/568833372.db2.gz XOZAMBYIZZWSDC-UHFFFAOYSA-N 0 0 401.897 5.573 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)[nH]n2)cc1 ZINC000057413284 568833245 /nfs/dbraw/zinc/83/32/45/568833245.db2.gz JDDNOVZSPFUXEZ-UHFFFAOYSA-N 0 0 411.505 5.318 50 0 HKAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057413418 568833263 /nfs/dbraw/zinc/83/32/63/568833263.db2.gz ZQMYPPVWEHLUBK-UHFFFAOYSA-N 0 0 417.512 6.073 50 0 HKAARN O=C(c1cc2c(s1)CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000057416753 568834355 /nfs/dbraw/zinc/83/43/55/568834355.db2.gz PBDTUYACGLJRKZ-UHFFFAOYSA-N 0 0 416.590 5.174 50 0 HKAARN CCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O ZINC000057426373 568835253 /nfs/dbraw/zinc/83/52/53/568835253.db2.gz KVEQZUOWUCLYIE-UHFFFAOYSA-N 0 0 415.584 5.112 50 0 HKAARN CCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O ZINC000057426424 568835308 /nfs/dbraw/zinc/83/53/08/568835308.db2.gz BSXDQBGSGQYCBV-UHFFFAOYSA-N 0 0 415.584 5.112 50 0 HKAARN CCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O ZINC000057426442 568835293 /nfs/dbraw/zinc/83/52/93/568835293.db2.gz NOIPSBYTBOELQA-UHFFFAOYSA-N 0 0 415.584 5.112 50 0 HKAARN c1ccc(COc2ccc(-c3noc(CN4CC=C(c5ccccc5)CC4)n3)cc2)cc1 ZINC000057427776 568835979 /nfs/dbraw/zinc/83/59/79/568835979.db2.gz HINAWUDCLRSNNF-UHFFFAOYSA-N 0 0 423.516 5.605 50 0 HKAARN FC(F)(F)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000057429419 568836387 /nfs/dbraw/zinc/83/63/87/568836387.db2.gz DHJCMGVFAJZVDT-UHFFFAOYSA-N 0 0 402.441 6.093 50 0 HKAARN CCN(Cc1ccccc1)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000057432311 568836632 /nfs/dbraw/zinc/83/66/32/568836632.db2.gz FFNCOFRRIHWDAL-UHFFFAOYSA-N 0 0 403.551 5.291 50 0 HKAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000057449691 568837262 /nfs/dbraw/zinc/83/72/62/568837262.db2.gz FEYWJOKOSAZBAE-UHFFFAOYSA-N 0 0 419.956 5.076 50 0 HKAARN CCn1c(=S)n(CN2CCc3sccc3[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000057449878 568837248 /nfs/dbraw/zinc/83/72/48/568837248.db2.gz FTSMLRMLVUHMPA-ZDUSSCGKSA-N 0 0 404.992 5.393 50 0 HKAARN CCn1c(=S)n(CN2CCc3sccc3[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000057449881 568837312 /nfs/dbraw/zinc/83/73/12/568837312.db2.gz FTSMLRMLVUHMPA-CYBMUJFWSA-N 0 0 404.992 5.393 50 0 HKAARN CCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000057452099 568837897 /nfs/dbraw/zinc/83/78/97/568837897.db2.gz HHLXPCMEPNBYOM-UHFFFAOYSA-N 0 0 409.942 5.327 50 0 HKAARN COc1ccc(CN(C)Cn2nc(Nc3cccc(C)c3C)sc2=S)cc1 ZINC000057452424 568837834 /nfs/dbraw/zinc/83/78/34/568837834.db2.gz HARJHQQWKAMCNI-UHFFFAOYSA-N 0 0 400.573 5.133 50 0 HKAARN CCc1ccc([C@H](NCC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 ZINC000057460470 568837908 /nfs/dbraw/zinc/83/79/08/568837908.db2.gz SAZVDDQKWSLGLB-QHCPKHFHSA-N 0 0 412.986 5.898 50 0 HKAARN CCc1ccc([C@@H](NCC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 ZINC000057460471 568837797 /nfs/dbraw/zinc/83/77/97/568837797.db2.gz SAZVDDQKWSLGLB-HSZRJFAPSA-N 0 0 412.986 5.898 50 0 HKAARN C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CC=C(c2ccccc2)CC1 ZINC000057470683 568838753 /nfs/dbraw/zinc/83/87/53/568838753.db2.gz YVNVDHSARFTVCB-HNNXBMFYSA-N 0 0 419.575 5.563 50 0 HKAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CC=C(c2ccccc2)CC1 ZINC000057470684 568838746 /nfs/dbraw/zinc/83/87/46/568838746.db2.gz YVNVDHSARFTVCB-OAHLLOKOSA-N 0 0 419.575 5.563 50 0 HKAARN CC(C)CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O ZINC000057472534 568839114 /nfs/dbraw/zinc/83/91/14/568839114.db2.gz PPDYGVNBCNQCSJ-UHFFFAOYSA-N 0 0 423.582 5.297 50 0 HKAARN C[C@@H]1c2ccsc2CCN1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000057473818 568839326 /nfs/dbraw/zinc/83/93/26/568839326.db2.gz LMYPXRZJJMVTPF-MRXNPFEDSA-N 0 0 419.579 5.104 50 0 HKAARN C[C@H]1c2ccsc2CCN1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000057473820 568839316 /nfs/dbraw/zinc/83/93/16/568839316.db2.gz LMYPXRZJJMVTPF-INIZCTEOSA-N 0 0 419.579 5.104 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000057475482 568839287 /nfs/dbraw/zinc/83/92/87/568839287.db2.gz FRANOVLITKESCQ-ZDUSSCGKSA-N 0 0 417.340 5.085 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000057475483 568839514 /nfs/dbraw/zinc/83/95/14/568839514.db2.gz FRANOVLITKESCQ-CYBMUJFWSA-N 0 0 417.340 5.085 50 0 HKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000057477012 568839517 /nfs/dbraw/zinc/83/95/17/568839517.db2.gz FNZNMQZNCCHGHZ-UHFFFAOYSA-N 0 0 411.086 5.398 50 0 HKAARN O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc(Cl)cc1 ZINC000057486330 568842161 /nfs/dbraw/zinc/84/21/61/568842161.db2.gz OKRHSVIQISDSLK-UHFFFAOYSA-N 0 0 422.981 6.820 50 0 HKAARN O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc(F)cc1 ZINC000057486331 568842168 /nfs/dbraw/zinc/84/21/68/568842168.db2.gz VYSJAUAYTVGUPB-UHFFFAOYSA-N 0 0 406.526 6.305 50 0 HKAARN Cc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 ZINC000057486332 568842185 /nfs/dbraw/zinc/84/21/85/568842185.db2.gz ATQMVKXARIHCDM-UHFFFAOYSA-N 0 0 402.563 6.475 50 0 HKAARN COc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 ZINC000057486335 568842081 /nfs/dbraw/zinc/84/20/81/568842081.db2.gz JBEWJUOTAOLZPD-UHFFFAOYSA-N 0 0 418.562 6.175 50 0 HKAARN Cc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c(C)c1 ZINC000057486336 568842151 /nfs/dbraw/zinc/84/21/51/568842151.db2.gz QIIZIBIWJGYOED-UHFFFAOYSA-N 0 0 416.590 6.783 50 0 HKAARN COc1cccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC000057486337 568842118 /nfs/dbraw/zinc/84/21/18/568842118.db2.gz RXRDEFAFGNVFIG-UHFFFAOYSA-N 0 0 418.562 6.175 50 0 HKAARN Cc1ccc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC000057486338 568842086 /nfs/dbraw/zinc/84/20/86/568842086.db2.gz XGPILAXZNCMXPY-UHFFFAOYSA-N 0 0 416.590 6.783 50 0 HKAARN O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccccc1Cl ZINC000057486342 568842125 /nfs/dbraw/zinc/84/21/25/568842125.db2.gz OHNABXNUPQXOGT-UHFFFAOYSA-N 0 0 422.981 6.820 50 0 HKAARN CCc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 ZINC000057486343 568842120 /nfs/dbraw/zinc/84/21/20/568842120.db2.gz WFYPTARCAPBMNU-UHFFFAOYSA-N 0 0 416.590 6.729 50 0 HKAARN Cc1ccccc1C(=O)CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1 ZINC000057486344 568842079 /nfs/dbraw/zinc/84/20/79/568842079.db2.gz SQVVMQNCAGRKSQ-UHFFFAOYSA-N 0 0 402.563 6.475 50 0 HKAARN O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccc(Cl)cc1 ZINC000057486350 568842077 /nfs/dbraw/zinc/84/20/77/568842077.db2.gz NHBNGWUFDJXEBG-UHFFFAOYSA-N 0 0 419.731 5.535 50 0 HKAARN O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccc(F)cc1 ZINC000057486351 568842089 /nfs/dbraw/zinc/84/20/89/568842089.db2.gz OYFWJLAFZNYQSZ-UHFFFAOYSA-N 0 0 403.276 5.020 50 0 HKAARN Cc1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)c(C)c1 ZINC000057486356 568842143 /nfs/dbraw/zinc/84/21/43/568842143.db2.gz ICYSXLUHSYXXIN-UHFFFAOYSA-N 0 0 413.340 5.498 50 0 HKAARN O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccccc1Cl ZINC000057486361 568842113 /nfs/dbraw/zinc/84/21/13/568842113.db2.gz PNYNTPUYOPKQIM-UHFFFAOYSA-N 0 0 419.731 5.535 50 0 HKAARN CCc1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1 ZINC000057486362 568842127 /nfs/dbraw/zinc/84/21/27/568842127.db2.gz DCLVDSGOBIOHRN-UHFFFAOYSA-N 0 0 413.340 5.444 50 0 HKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000057486681 568842495 /nfs/dbraw/zinc/84/24/95/568842495.db2.gz XKJJKQIOOZFPQT-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486682 568842426 /nfs/dbraw/zinc/84/24/26/568842426.db2.gz LFXLRYOCEMXMJK-UHFFFAOYSA-N 0 0 406.873 5.060 50 0 HKAARN CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486683 568842456 /nfs/dbraw/zinc/84/24/56/568842456.db2.gz LFDIWJFNQWDFQP-UHFFFAOYSA-N 0 0 406.873 5.060 50 0 HKAARN Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000057486686 568842460 /nfs/dbraw/zinc/84/24/60/568842460.db2.gz PJFGLTWAFQTLDF-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000057486688 568842437 /nfs/dbraw/zinc/84/24/37/568842437.db2.gz OUEKAIIXBAAZQF-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486689 568842429 /nfs/dbraw/zinc/84/24/29/568842429.db2.gz QDSPFPMJZZLKJI-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Cl ZINC000057486717 568842482 /nfs/dbraw/zinc/84/24/82/568842482.db2.gz RXAHOJQUJJRQKR-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1 ZINC000057486718 568842489 /nfs/dbraw/zinc/84/24/89/568842489.db2.gz ICSGDDWAOPWKNM-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1 ZINC000057486719 568842491 /nfs/dbraw/zinc/84/24/91/568842491.db2.gz OGNRMCFHURXVKB-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486763 568842660 /nfs/dbraw/zinc/84/26/60/568842660.db2.gz OIWDPUXUKFCAPT-MRXNPFEDSA-N 0 0 420.900 5.044 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486764 568842626 /nfs/dbraw/zinc/84/26/26/568842626.db2.gz OIWDPUXUKFCAPT-INIZCTEOSA-N 0 0 420.900 5.044 50 0 HKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000057487230 568842951 /nfs/dbraw/zinc/84/29/51/568842951.db2.gz CBFVGSCFSCTGMA-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000057487231 568843013 /nfs/dbraw/zinc/84/30/13/568843013.db2.gz XVDFHSXXVPLEKO-UHFFFAOYSA-N 0 0 406.873 5.060 50 0 HKAARN CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000057487232 568843002 /nfs/dbraw/zinc/84/30/02/568843002.db2.gz UQYALPKHORWPFE-UHFFFAOYSA-N 0 0 406.873 5.060 50 0 HKAARN Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1C ZINC000057487235 568843010 /nfs/dbraw/zinc/84/30/10/568843010.db2.gz QUGUNYYTDVAVME-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000057487236 568842981 /nfs/dbraw/zinc/84/29/81/568842981.db2.gz LVNOHBCUKVKKRO-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057487237 568842973 /nfs/dbraw/zinc/84/29/73/568842973.db2.gz SCNSJHZCDPRISJ-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000057487238 568842948 /nfs/dbraw/zinc/84/29/48/568842948.db2.gz GAMHLRCSLMZDJX-UHFFFAOYSA-N 0 0 406.873 5.114 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Cl ZINC000057487266 568842975 /nfs/dbraw/zinc/84/29/75/568842975.db2.gz PDDOHRCBIWKNPJ-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Cl)c1 ZINC000057487267 568842997 /nfs/dbraw/zinc/84/29/97/568842997.db2.gz DMRABQNEKIJISN-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1 ZINC000057487268 568842955 /nfs/dbraw/zinc/84/29/55/568842955.db2.gz ZWCLTUZZBLIYBA-UHFFFAOYSA-N 0 0 413.264 5.151 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000057487314 568843159 /nfs/dbraw/zinc/84/31/59/568843159.db2.gz AOPBAXKZAJTLHM-MRXNPFEDSA-N 0 0 420.900 5.044 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000057487315 568843138 /nfs/dbraw/zinc/84/31/38/568843138.db2.gz AOPBAXKZAJTLHM-INIZCTEOSA-N 0 0 420.900 5.044 50 0 HKAARN O=c1nc(SC/C(=C/Cl)Sc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000057505508 568846700 /nfs/dbraw/zinc/84/67/00/568846700.db2.gz BGGRLSWEOMUGLS-RAXLEYEMSA-N 0 0 421.012 6.240 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000057509481 568847589 /nfs/dbraw/zinc/84/75/89/568847589.db2.gz USRMHWWZAJCIBK-GYHWCHFESA-N 0 0 409.894 5.460 50 0 HKAARN Cc1ccc(NC(=O)c2n[nH]nc2Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000057510706 568847582 /nfs/dbraw/zinc/84/75/82/568847582.db2.gz QQSWWRDFHCCQLT-UHFFFAOYSA-N 0 0 419.872 5.555 50 0 HKAARN FC(F)(F)c1cccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000057510803 568848467 /nfs/dbraw/zinc/84/84/67/568848467.db2.gz GXMWBNCYTYOMPL-UHFFFAOYSA-N 0 0 419.859 6.361 50 0 HKAARN Fc1ccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c(Cl)c1 ZINC000057510809 568848392 /nfs/dbraw/zinc/84/83/92/568848392.db2.gz LURLBSVIJOKZNR-UHFFFAOYSA-N 0 0 404.297 6.135 50 0 HKAARN Fc1ccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c(Cl)c1 ZINC000057510816 568848382 /nfs/dbraw/zinc/84/83/82/568848382.db2.gz BGHAEQPVGAOBDE-UHFFFAOYSA-N 0 0 404.297 6.135 50 0 HKAARN CC(C)c1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1 ZINC000057510878 568848379 /nfs/dbraw/zinc/84/83/79/568848379.db2.gz VWKHSPNEEJGIGN-UHFFFAOYSA-N 0 0 411.933 6.605 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccc(C)cc4C)nccn3n2)cc1Cl ZINC000057510881 568848430 /nfs/dbraw/zinc/84/84/30/568848430.db2.gz YMOWFUKWJBNBLM-UHFFFAOYSA-N 0 0 423.969 6.358 50 0 HKAARN CCOc1ccc(-c2cc3c(SCc4ccc(C)c(C)c4)nccn3n2)cc1Cl ZINC000057510884 568848590 /nfs/dbraw/zinc/84/85/90/568848590.db2.gz VJOSJSQXHCBQGM-UHFFFAOYSA-N 0 0 423.969 6.358 50 0 HKAARN Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c(C)c1 ZINC000057510892 568848653 /nfs/dbraw/zinc/84/86/53/568848653.db2.gz OJRNUUONJMILRY-UHFFFAOYSA-N 0 0 424.367 6.068 50 0 HKAARN CC(C)c1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)cc1 ZINC000057510930 568848629 /nfs/dbraw/zinc/84/86/29/568848629.db2.gz CUARHTUISMGITQ-UHFFFAOYSA-N 0 0 409.287 5.680 50 0 HKAARN Cc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000057511037 558888992 /nfs/dbraw/zinc/88/89/92/558888992.db2.gz PRQZICZVBTWPHX-UHFFFAOYSA-N 0 0 424.529 5.589 50 0 HKAARN Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000057511042 558888973 /nfs/dbraw/zinc/88/89/73/558888973.db2.gz SBCBRAOFBGQWMW-UHFFFAOYSA-N 0 0 424.529 5.589 50 0 HKAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NC1CCCCC1 ZINC000057511080 558888955 /nfs/dbraw/zinc/88/89/55/558888955.db2.gz MIYBKJRTDQXDHZ-UHFFFAOYSA-N 0 0 416.550 5.091 50 0 HKAARN Cc1ccc(-c2ccnc(SCC(=O)Nc3ccc(F)cc3Cl)n2)cc1C ZINC000057519698 568849208 /nfs/dbraw/zinc/84/92/08/568849208.db2.gz CVCNQGFBKRAIAS-UHFFFAOYSA-N 0 0 401.894 5.284 50 0 HKAARN COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccccc3)cs2)cc1 ZINC000057523627 568850369 /nfs/dbraw/zinc/85/03/69/568850369.db2.gz KOXAFLXELIJLTO-FQEVSTJZSA-N 0 0 411.530 6.070 50 0 HKAARN COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccccc3)cs2)cc1 ZINC000057523633 568850410 /nfs/dbraw/zinc/85/04/10/568850410.db2.gz KOXAFLXELIJLTO-HXUWFJFHSA-N 0 0 411.530 6.070 50 0 HKAARN CCCC/N=c1\oc2ccccc2cc1C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000057523738 558888969 /nfs/dbraw/zinc/88/89/69/558888969.db2.gz RIWHDJNTEUKOKT-FLFQWRMESA-N 0 0 418.522 5.213 50 0 HKAARN CCCCc1ccc(NC(=O)Cn2c(=O)cc(CC)nc2-c2cccc(Cl)c2)cc1 ZINC000057527803 568851051 /nfs/dbraw/zinc/85/10/51/568851051.db2.gz CDQJMWFQBBURMZ-UHFFFAOYSA-N 0 0 423.944 5.107 50 0 HKAARN CCCCc1ccc(NC(=O)Cn2c(=O)c(C)c(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057528261 568851174 /nfs/dbraw/zinc/85/11/74/568851174.db2.gz SYXCXNGKKKLWCC-UHFFFAOYSA-N 0 0 423.944 5.162 50 0 HKAARN FC(F)(F)c1nc2nccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2n1 ZINC000057531025 558889025 /nfs/dbraw/zinc/88/90/25/558889025.db2.gz ZQYLDMCOOCLIRY-UHFFFAOYSA-N 0 0 404.779 5.043 50 0 HKAARN Cc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3Cl)CC2)c1C ZINC000057541670 568852597 /nfs/dbraw/zinc/85/25/97/568852597.db2.gz RQFDZMZCSINYHP-UHFFFAOYSA-N 0 0 415.368 5.323 50 0 HKAARN Fc1cccc(CSc2nnc(SCc3cccc(F)c3F)s2)c1F ZINC000057545557 568852607 /nfs/dbraw/zinc/85/26/07/568852607.db2.gz OGXFOBVKJIICJS-UHFFFAOYSA-N 0 0 402.463 5.679 50 0 HKAARN Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000057547541 568852792 /nfs/dbraw/zinc/85/27/92/568852792.db2.gz WIJWGDJZRIDGGU-UHFFFAOYSA-N 0 0 409.942 5.245 50 0 HKAARN O=c1nc(CN(Cc2ccco2)Cc2ccco2)[nH]c2sc(-c3ccccc3)cc21 ZINC000057611540 568855553 /nfs/dbraw/zinc/85/55/53/568855553.db2.gz TXLBKOKVICLMGX-UHFFFAOYSA-N 0 0 417.490 5.040 50 0 HKAARN Clc1c(Br)cc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000057646586 568857020 /nfs/dbraw/zinc/85/70/20/568857020.db2.gz UYMUVVIDIRNGOV-UHFFFAOYSA-N 0 0 404.573 6.333 50 0 HKAARN FC(F)(F)c1cc(OCc2nnc(-c3ccccc3Cl)o2)cc(C(F)(F)F)c1 ZINC000057649291 568857031 /nfs/dbraw/zinc/85/70/31/568857031.db2.gz YHWQNFCIHBJUGW-UHFFFAOYSA-N 0 0 422.712 6.007 50 0 HKAARN CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758486 568860124 /nfs/dbraw/zinc/86/01/24/568860124.db2.gz UUSIQWHBTMBJTG-QPPBQGQZSA-N 0 0 408.542 5.272 50 0 HKAARN CN(CC(=O)N1CCC[C@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758490 568860009 /nfs/dbraw/zinc/86/00/09/568860009.db2.gz UUSIQWHBTMBJTG-URXFXBBRSA-N 0 0 408.542 5.272 50 0 HKAARN Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3ccccc3n2)c(C)c1 ZINC000057789034 568860956 /nfs/dbraw/zinc/86/09/56/568860956.db2.gz FWXHHROODXETAM-UHFFFAOYSA-N 0 0 410.433 5.414 50 0 HKAARN O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000057789039 568860929 /nfs/dbraw/zinc/86/09/29/568860929.db2.gz JCLNPJNBYFZPST-UHFFFAOYSA-N 0 0 416.824 5.451 50 0 HKAARN COC(=O)c1c(C)c(C)sc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000057810296 568861523 /nfs/dbraw/zinc/86/15/23/568861523.db2.gz NQFDPFMVHRPTHM-UHFFFAOYSA-N 0 0 420.943 5.110 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000057813337 568861630 /nfs/dbraw/zinc/86/16/30/568861630.db2.gz XXOHCDZZLWLDBZ-UHFFFAOYSA-N 0 0 405.445 5.423 50 0 HKAARN CN(Cc1nc2ccccc2s1)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057823652 568861970 /nfs/dbraw/zinc/86/19/70/568861970.db2.gz WTVYXMWBKVOWNQ-GBXBDOIYSA-N 0 0 416.590 5.793 50 0 HKAARN Cc1cc(=O)oc2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12 ZINC000057845248 568863384 /nfs/dbraw/zinc/86/33/84/568863384.db2.gz YVFKQCBMNAPQFB-UHFFFAOYSA-N 0 0 420.465 5.180 50 0 HKAARN COc1ccc(-c2noc(CN(C)[C@@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863737 568864285 /nfs/dbraw/zinc/86/42/85/568864285.db2.gz FCHNODSLOMPRAJ-QHCPKHFHSA-N 0 0 403.457 5.106 50 0 HKAARN COc1ccc(-c2noc(CN(C)[C@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 ZINC000057863740 568864274 /nfs/dbraw/zinc/86/42/74/568864274.db2.gz FCHNODSLOMPRAJ-HSZRJFAPSA-N 0 0 403.457 5.106 50 0 HKAARN CCOC(=O)Nc1ccc2c(CSc3ccc(C(F)(F)F)cn3)cc(=O)oc2c1 ZINC000057897244 568866216 /nfs/dbraw/zinc/86/62/16/568866216.db2.gz CQPBLKIOCZJPGS-UHFFFAOYSA-N 0 0 424.400 5.068 50 0 HKAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2N2CCCCCC2)c(C)c1 ZINC000057974335 568871533 /nfs/dbraw/zinc/87/15/33/568871533.db2.gz PCSRRAFZRQSMEM-UHFFFAOYSA-N 0 0 422.573 5.095 50 0 HKAARN CC(C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 ZINC000057984656 558892204 /nfs/dbraw/zinc/89/22/04/558892204.db2.gz AFNQZMYOHUCHAQ-MHZLTWQESA-N 0 0 416.565 5.563 50 0 HKAARN CC(C)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 ZINC000057984661 558892162 /nfs/dbraw/zinc/89/21/62/558892162.db2.gz AFNQZMYOHUCHAQ-HHHXNRCGSA-N 0 0 416.565 5.563 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccccc1SCc1cscn1 ZINC000057984823 558892179 /nfs/dbraw/zinc/89/21/79/558892179.db2.gz LNHQUSSHBITZDH-UHFFFAOYSA-N 0 0 419.531 5.875 50 0 HKAARN Cc1cc(OCCSCC(=O)Nc2ccccc2C(F)(F)F)ccc1C(C)C ZINC000057986072 568871825 /nfs/dbraw/zinc/87/18/25/568871825.db2.gz QBTXPMLRGTWLHU-UHFFFAOYSA-N 0 0 411.489 5.888 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Br ZINC000057986152 558892521 /nfs/dbraw/zinc/89/25/21/558892521.db2.gz IMFIPACCBUZTGH-UHFFFAOYSA-N 0 0 409.280 5.482 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3c(C)oc(C)c3Br)sc2C)cc1 ZINC000057986216 558892407 /nfs/dbraw/zinc/89/24/07/558892407.db2.gz CWXGYPGLKGOECP-UHFFFAOYSA-N 0 0 421.316 5.352 50 0 HKAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000057991206 558892556 /nfs/dbraw/zinc/89/25/56/558892556.db2.gz CTSCXFKHYZLWEU-UHFFFAOYSA-N 0 0 417.896 5.017 50 0 HKAARN O=C(CSCc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000057991750 568873044 /nfs/dbraw/zinc/87/30/44/568873044.db2.gz QICWKGDQNRCLIN-UHFFFAOYSA-N 0 0 404.251 5.340 50 0 HKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1cccc(F)c1 ZINC000057991828 568873144 /nfs/dbraw/zinc/87/31/44/568873144.db2.gz HJRHLIKCRXZFSP-UHFFFAOYSA-N 0 0 419.456 5.010 50 0 HKAARN Cc1ccc(-c2cc(C(=O)N(C)CC3CC3)c3sc(N4CCCCC4)nc3n2)cc1 ZINC000057992522 558892987 /nfs/dbraw/zinc/89/29/87/558892987.db2.gz QLKUNANVPYEUSH-UHFFFAOYSA-N 0 0 420.582 5.139 50 0 HKAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1ccccc1F ZINC000057992758 558892970 /nfs/dbraw/zinc/89/29/70/558892970.db2.gz VVWJJROQVZXKCX-UHFFFAOYSA-N 0 0 419.456 5.010 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000057993146 568873391 /nfs/dbraw/zinc/87/33/91/568873391.db2.gz BXIHXZLAVUMRSU-UHFFFAOYSA-N 0 0 421.444 5.244 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1Br ZINC000057994996 558893400 /nfs/dbraw/zinc/89/34/00/558893400.db2.gz XXXHXRUZIAJZON-UHFFFAOYSA-N 0 0 411.708 5.688 50 0 HKAARN O=C(CCCc1cccs1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000057995142 568873329 /nfs/dbraw/zinc/87/33/29/568873329.db2.gz TYTSGMFHNUVOFO-UHFFFAOYSA-N 0 0 419.377 6.002 50 0 HKAARN FC(F)(F)c1nnc2ccc(Nc3ccc(NCc4ccccc4)c(Cl)c3)nn21 ZINC000057995502 568873334 /nfs/dbraw/zinc/87/33/34/568873334.db2.gz FXERABDMRUOGMQ-UHFFFAOYSA-N 0 0 418.810 5.152 50 0 HKAARN O=C(c1ccc(COc2ccc(Br)cc2)o1)N(Cc1ccco1)C1CC1 ZINC000057995962 558893664 /nfs/dbraw/zinc/89/36/64/558893664.db2.gz XUDUBEFWCZNWNM-UHFFFAOYSA-N 0 0 416.271 5.019 50 0 HKAARN O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000057995964 568873403 /nfs/dbraw/zinc/87/34/03/568873403.db2.gz KCPVSXNMBYCWHI-NCELDCMTSA-N 0 0 416.952 5.225 50 0 HKAARN O=C(Cc1csc(-c2ccc(Cl)s2)n1)Oc1ccc(-c2nccs2)cc1 ZINC000057996492 558893613 /nfs/dbraw/zinc/89/36/13/558893613.db2.gz QCJZWSQTHUCBRU-UHFFFAOYSA-N 0 0 418.952 5.797 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000057996857 568873415 /nfs/dbraw/zinc/87/34/15/568873415.db2.gz ZQIJUYRBOQQDOE-UHFFFAOYSA-N 0 0 401.453 6.167 50 0 HKAARN Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4Cl)CC3)c2cc1C(C)C ZINC000057999765 558893746 /nfs/dbraw/zinc/89/37/46/558893746.db2.gz RUXVNCJVMNQCKD-UHFFFAOYSA-N 0 0 410.945 5.200 50 0 HKAARN Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(OC(F)F)cc2)n(C2CCCCC2)c1C ZINC000058002865 558893791 /nfs/dbraw/zinc/89/37/91/558893791.db2.gz DCVLAMDBBWJXNJ-HNNXBMFYSA-N 0 0 412.502 5.141 50 0 HKAARN Cc1nc(S(=O)(=O)[C@H](C)c2ccc(OC(F)F)cc2)n(C2CCCCC2)c1C ZINC000058002868 558893768 /nfs/dbraw/zinc/89/37/68/558893768.db2.gz DCVLAMDBBWJXNJ-OAHLLOKOSA-N 0 0 412.502 5.141 50 0 HKAARN CSc1ccc(Cl)c(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)c1 ZINC000058003122 568874140 /nfs/dbraw/zinc/87/41/40/568874140.db2.gz LDRJFDOJPUHULE-KRWDZBQOSA-N 0 0 401.919 5.239 50 0 HKAARN CSc1ccc(Cl)c(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1 ZINC000058003126 568874176 /nfs/dbraw/zinc/87/41/76/568874176.db2.gz LDRJFDOJPUHULE-QGZVFWFLSA-N 0 0 401.919 5.239 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)S[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058006617 568874703 /nfs/dbraw/zinc/87/47/03/568874703.db2.gz HCYXWFZXELREBJ-AOMKIAJQSA-N 0 0 411.954 6.198 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)S[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058006620 568874649 /nfs/dbraw/zinc/87/46/49/568874649.db2.gz HCYXWFZXELREBJ-ZHRRBRCNSA-N 0 0 411.954 6.198 50 0 HKAARN COc1ccc(NC(=O)[C@H](C)S[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058006625 568874693 /nfs/dbraw/zinc/87/46/93/568874693.db2.gz HCYXWFZXELREBJ-KSFYIVLOSA-N 0 0 411.954 6.198 50 0 HKAARN COc1ccc(NC(=O)[C@@H](C)S[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058006628 568874782 /nfs/dbraw/zinc/87/47/82/568874782.db2.gz HCYXWFZXELREBJ-OPAMFIHVSA-N 0 0 411.954 6.198 50 0 HKAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000058008296 568875125 /nfs/dbraw/zinc/87/51/25/568875125.db2.gz UTAWHEOGGYYCII-HXUWFJFHSA-N 0 0 421.562 5.101 50 0 HKAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000058008300 568875220 /nfs/dbraw/zinc/87/52/20/568875220.db2.gz UTAWHEOGGYYCII-FQEVSTJZSA-N 0 0 421.562 5.101 50 0 HKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(Cl)c1 ZINC000058008312 568875098 /nfs/dbraw/zinc/87/50/98/568875098.db2.gz VWDOONINMFALLS-UHFFFAOYSA-N 0 0 409.898 5.729 50 0 HKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 ZINC000058011398 568875990 /nfs/dbraw/zinc/87/59/90/568875990.db2.gz FTIMFPKPWGDABP-UHFFFAOYSA-N 0 0 407.602 6.325 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(C)Cc2ccccc2)cc1 ZINC000058012562 568876134 /nfs/dbraw/zinc/87/61/34/568876134.db2.gz KUUXMSPUDMSWBV-RUZDIDTESA-N 0 0 416.521 5.351 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)Cc2ccccc2)cc1 ZINC000058012563 568876172 /nfs/dbraw/zinc/87/61/72/568876172.db2.gz KUUXMSPUDMSWBV-VWLOTQADSA-N 0 0 416.521 5.351 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1Br ZINC000058014129 558895088 /nfs/dbraw/zinc/89/50/88/558895088.db2.gz YCJIGZMTTKFAJC-UHFFFAOYSA-N 0 0 413.243 5.313 50 0 HKAARN Cc1ccc2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)c(C)nc2c1 ZINC000058014313 558895226 /nfs/dbraw/zinc/89/52/26/558895226.db2.gz LTESISLGYYXHOW-UHFFFAOYSA-N 0 0 401.441 5.108 50 0 HKAARN CC(=O)Nc1ccc(OC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)cc1 ZINC000058015642 558895512 /nfs/dbraw/zinc/89/55/12/558895512.db2.gz ZZYHFDNABYEWDB-UHFFFAOYSA-N 0 0 420.465 5.364 50 0 HKAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000058015713 568876408 /nfs/dbraw/zinc/87/64/08/568876408.db2.gz AEMWGBUVYYEGSS-UHFFFAOYSA-N 0 0 409.873 5.003 50 0 HKAARN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058016008 558895475 /nfs/dbraw/zinc/89/54/75/558895475.db2.gz VFRMQZICEHVCEH-UHFFFAOYSA-N 0 0 412.921 5.060 50 0 HKAARN O=C(Nc1n[nH]cc1-c1cccc(Cl)c1)c1ccc(C2SCCS2)cc1 ZINC000058023025 568878136 /nfs/dbraw/zinc/87/81/36/568878136.db2.gz JQZUJYPRWWAXOZ-UHFFFAOYSA-N 0 0 401.944 5.461 50 0 HKAARN C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058023220 568878031 /nfs/dbraw/zinc/87/80/31/568878031.db2.gz YTHMMIHOUSIWHN-AWEZNQCLSA-N 0 0 408.498 5.394 50 0 HKAARN C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058023222 568878076 /nfs/dbraw/zinc/87/80/76/568878076.db2.gz YTHMMIHOUSIWHN-CQSZACIVSA-N 0 0 408.498 5.394 50 0 HKAARN O=C(c1cc2ccccc2s1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058023786 558896283 /nfs/dbraw/zinc/89/62/83/558896283.db2.gz LLNOYXGIDIXVLH-UHFFFAOYSA-N 0 0 423.488 5.589 50 0 HKAARN CN(C(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(Oc2ccccc2)cc1 ZINC000058023910 568878167 /nfs/dbraw/zinc/87/81/67/568878167.db2.gz LCFFUITWBYOWAG-UHFFFAOYSA-N 0 0 404.491 5.190 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 ZINC000058027350 558896255 /nfs/dbraw/zinc/89/62/55/558896255.db2.gz YJJMPVNESLWJKX-QGZVFWFLSA-N 0 0 411.517 6.431 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 ZINC000058027358 558896282 /nfs/dbraw/zinc/89/62/82/558896282.db2.gz YJJMPVNESLWJKX-KRWDZBQOSA-N 0 0 411.517 6.431 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000058027455 558896278 /nfs/dbraw/zinc/89/62/78/558896278.db2.gz FXIZZFMKBKJCKV-QGZVFWFLSA-N 0 0 411.517 6.431 50 0 HKAARN Cc1ccc(C)c(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000058027461 558896277 /nfs/dbraw/zinc/89/62/77/558896277.db2.gz FXIZZFMKBKJCKV-KRWDZBQOSA-N 0 0 411.517 6.431 50 0 HKAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1 ZINC000058029495 568878280 /nfs/dbraw/zinc/87/82/80/568878280.db2.gz RARASWMVSNJJFC-UHFFFAOYSA-N 0 0 417.939 5.147 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1Br ZINC000058046071 558896760 /nfs/dbraw/zinc/89/67/60/558896760.db2.gz GDHMSPSHBKQVLX-UHFFFAOYSA-N 0 0 413.243 5.313 50 0 HKAARN O=C(c1ccsc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000058047294 568880244 /nfs/dbraw/zinc/88/02/44/568880244.db2.gz VSZYSJFBSKFHFZ-NRFANRHFSA-N 0 0 418.909 5.336 50 0 HKAARN O=C(c1ccsc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058047304 568880204 /nfs/dbraw/zinc/88/02/04/568880204.db2.gz VSZYSJFBSKFHFZ-OAQYLSRUSA-N 0 0 418.909 5.336 50 0 HKAARN CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1C(C)(C)C ZINC000058048771 558896765 /nfs/dbraw/zinc/89/67/65/558896765.db2.gz MSPZIYRSIRIAQL-UHFFFAOYSA-N 0 0 403.364 6.189 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCOc1ccc(C)cc1 ZINC000058052173 558897087 /nfs/dbraw/zinc/89/70/87/558897087.db2.gz CNUNQFGYBBGGIS-UHFFFAOYSA-N 0 0 416.880 5.340 50 0 HKAARN COc1cc(OC)c(NC(=O)c2ccccc2OCc2cccc(C)c2)cc1Cl ZINC000058054099 558897024 /nfs/dbraw/zinc/89/70/24/558897024.db2.gz NWDGVBKJLFRMQH-UHFFFAOYSA-N 0 0 411.885 5.497 50 0 HKAARN Cc1ccc(C)c(CN2CCCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)C2)c1 ZINC000058060888 568881828 /nfs/dbraw/zinc/88/18/28/568881828.db2.gz YKKKNHNNOSBPEE-UHFFFAOYSA-N 0 0 418.562 5.230 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)c(C(F)(F)F)c1 ZINC000058061226 568881933 /nfs/dbraw/zinc/88/19/33/568881933.db2.gz RMZIHHBPVSDQGJ-UHFFFAOYSA-N 0 0 422.403 5.784 50 0 HKAARN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 ZINC000058062758 568881927 /nfs/dbraw/zinc/88/19/27/568881927.db2.gz OHEIQIGHBHOTGZ-UHFFFAOYSA-N 0 0 415.320 5.305 50 0 HKAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2c(C)noc2Cl)s1 ZINC000058062809 568881918 /nfs/dbraw/zinc/88/19/18/568881918.db2.gz WIGBGIWUHJKNLY-UHFFFAOYSA-N 0 0 402.947 5.210 50 0 HKAARN Cc1nc2c(cc(OCC(=O)Nc3ccccc3C(F)(F)F)c3ccsc32)s1 ZINC000058065351 558897612 /nfs/dbraw/zinc/89/76/12/558897612.db2.gz QHYLYBYDKIXHHP-UHFFFAOYSA-N 0 0 422.453 5.856 50 0 HKAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000058067535 558897812 /nfs/dbraw/zinc/89/78/12/558897812.db2.gz VWFXGFCCQZBYKK-QHCPKHFHSA-N 0 0 413.945 5.661 50 0 HKAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000058067540 558897745 /nfs/dbraw/zinc/89/77/45/558897745.db2.gz VWFXGFCCQZBYKK-HSZRJFAPSA-N 0 0 413.945 5.661 50 0 HKAARN Cc1c(C(=O)NCc2ccc(F)cc2C(F)(F)F)sc2nc(C3CC3)nc(C)c12 ZINC000058081541 558898097 /nfs/dbraw/zinc/89/80/97/558898097.db2.gz AVRLAANFKUGLAE-UHFFFAOYSA-N 0 0 423.435 5.273 50 0 HKAARN O=C(/C=C/c1ccncc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000058087387 568884023 /nfs/dbraw/zinc/88/40/23/568884023.db2.gz FRRGKAKMJALTJX-CMDGGOBGSA-N 0 0 411.383 5.005 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000058087829 558898452 /nfs/dbraw/zinc/89/84/52/558898452.db2.gz HIJOUJRIEBHWQH-UHFFFAOYSA-N 0 0 409.456 5.344 50 0 HKAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccccc1)C3 ZINC000058088552 568884156 /nfs/dbraw/zinc/88/41/56/568884156.db2.gz MAVMYBFYODFXCL-UHFFFAOYSA-N 0 0 411.501 5.353 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccccc1Cl)CO2 ZINC000058088623 568884184 /nfs/dbraw/zinc/88/41/84/568884184.db2.gz CEPZAYASKPLELF-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 biogenic HKAARN CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccccc1SC1CCCC1 ZINC000058088791 568884186 /nfs/dbraw/zinc/88/41/86/568884186.db2.gz MKJBYUZIBSDBMF-UHFFFAOYSA-N 0 0 411.571 5.386 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000058096143 568885598 /nfs/dbraw/zinc/88/55/98/568885598.db2.gz AZIAOSFNZWVBMT-UHFFFAOYSA-N 0 0 413.896 5.221 50 0 HKAARN FC(F)(F)c1cccc(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)c1 ZINC000058096554 568885577 /nfs/dbraw/zinc/88/55/77/568885577.db2.gz BJIRHLGKAGRGDC-UHFFFAOYSA-N 0 0 413.896 5.221 50 0 HKAARN Cc1ccc(C)c(CN2CCCN(C(=S)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000058096652 568885535 /nfs/dbraw/zinc/88/55/35/568885535.db2.gz SEYZLNUADUHLHK-UHFFFAOYSA-N 0 0 407.505 5.184 50 0 HKAARN O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(CSc2ccccn2)c1 ZINC000058098252 558898638 /nfs/dbraw/zinc/89/86/38/558898638.db2.gz MLYNMNTYNYIXHW-OUKQBFOZSA-N 0 0 412.518 5.212 50 0 HKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000058099193 568885411 /nfs/dbraw/zinc/88/54/11/568885411.db2.gz RKVPLGSKRYAEEM-UHFFFAOYSA-N 0 0 402.346 6.455 50 0 HKAARN C[C@@H]1c2ccsc2CCN1C(=O)c1oc2ccccc2c1CSc1nccn1C ZINC000058104326 558899157 /nfs/dbraw/zinc/89/91/57/558899157.db2.gz QPWKWRZFTNPVJE-CQSZACIVSA-N 0 0 423.563 5.280 50 0 HKAARN C[C@H]1c2ccsc2CCN1C(=O)c1oc2ccccc2c1CSc1nccn1C ZINC000058104332 558899124 /nfs/dbraw/zinc/89/91/24/558899124.db2.gz QPWKWRZFTNPVJE-AWEZNQCLSA-N 0 0 423.563 5.280 50 0 HKAARN O=C(N[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccc(-c2cnco2)cc1 ZINC000058112082 558899525 /nfs/dbraw/zinc/89/95/25/558899525.db2.gz TUCSXQGJRASAMX-GOSISDBHSA-N 0 0 401.491 5.273 50 0 HKAARN O=C(N[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccc(-c2cnco2)cc1 ZINC000058112085 558899548 /nfs/dbraw/zinc/89/95/48/558899548.db2.gz TUCSXQGJRASAMX-SFHVURJKSA-N 0 0 401.491 5.273 50 0 HKAARN Cc1c(=O)c2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2oc1-c1ccccc1 ZINC000058113343 568887669 /nfs/dbraw/zinc/88/76/69/568887669.db2.gz JEILUZZAJLJZGD-UHFFFAOYSA-N 0 0 408.457 5.180 50 0 HKAARN O=C(c1cc(Br)ccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058114712 568887906 /nfs/dbraw/zinc/88/79/06/568887906.db2.gz FWGDKNAGKHAVPD-UHFFFAOYSA-N 0 0 401.279 5.089 50 0 HKAARN O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000058128494 558900221 /nfs/dbraw/zinc/90/02/21/558900221.db2.gz KKTYIEGQBSKNEI-NRFANRHFSA-N 0 0 404.819 5.075 50 0 HKAARN O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000058128503 558900211 /nfs/dbraw/zinc/90/02/11/558900211.db2.gz KKTYIEGQBSKNEI-OAQYLSRUSA-N 0 0 404.819 5.075 50 0 HKAARN COc1cc(C(=O)N([C@@H](C)c2cccc3ccccc32)C2CC2)cc(OC)c1OC ZINC000058129137 558900216 /nfs/dbraw/zinc/90/02/16/558900216.db2.gz NJMXUSBFPXRHQU-INIZCTEOSA-N 0 0 405.494 5.231 50 0 HKAARN COc1cc(C(=O)N([C@H](C)c2cccc3ccccc32)C2CC2)cc(OC)c1OC ZINC000058129146 558900230 /nfs/dbraw/zinc/90/02/30/558900230.db2.gz NJMXUSBFPXRHQU-MRXNPFEDSA-N 0 0 405.494 5.231 50 0 HKAARN COc1ccc(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)c(OC)c1 ZINC000058129352 568889192 /nfs/dbraw/zinc/88/91/92/568889192.db2.gz GIVLKGQZTKKMSP-UHFFFAOYSA-N 0 0 422.531 5.808 50 0 HKAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000058130356 568889396 /nfs/dbraw/zinc/88/93/96/568889396.db2.gz ZMLQEIIRRLWLHC-UHFFFAOYSA-N 0 0 419.550 5.557 50 0 HKAARN CCOc1ccc(-c2nc(C[S@@](=O)Cc3cc(C)ccc3C)cs2)cc1OC ZINC000058130972 558900562 /nfs/dbraw/zinc/90/05/62/558900562.db2.gz WHNBSECNPJGHPZ-MUUNZHRXSA-N 0 0 415.580 5.283 50 0 HKAARN CCOc1ccc(-c2nc(C[S@](=O)Cc3cc(C)ccc3C)cs2)cc1OC ZINC000058130981 558900518 /nfs/dbraw/zinc/90/05/18/558900518.db2.gz WHNBSECNPJGHPZ-NDEPHWFRSA-N 0 0 415.580 5.283 50 0 HKAARN Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)C(C)(C)C)cc2c1 ZINC000058133976 568889988 /nfs/dbraw/zinc/88/99/88/568889988.db2.gz DONUOLVRMXXURU-NRFANRHFSA-N 0 0 405.929 5.920 50 0 HKAARN Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)C(C)(C)C)cc2c1 ZINC000058133983 568889924 /nfs/dbraw/zinc/88/99/24/568889924.db2.gz DONUOLVRMXXURU-OAQYLSRUSA-N 0 0 405.929 5.920 50 0 HKAARN CC(=O)N(c1nc(CN2CCC[C@@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134850 568890214 /nfs/dbraw/zinc/89/02/14/568890214.db2.gz CXUBRBQEKMSUFX-HSZRJFAPSA-N 0 0 423.557 5.921 50 0 HKAARN CC(=O)N(c1nc(CN2CCC[C@H]2c2ccc(F)cc2)cs1)c1ccc(C)c(C)c1 ZINC000058134866 568890239 /nfs/dbraw/zinc/89/02/39/568890239.db2.gz CXUBRBQEKMSUFX-QHCPKHFHSA-N 0 0 423.557 5.921 50 0 HKAARN O=C(NCc1ccc(F)cc1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000058136162 558900975 /nfs/dbraw/zinc/90/09/75/558900975.db2.gz QYKGYZFNQVAIHQ-UHFFFAOYSA-N 0 0 418.299 5.440 50 0 HKAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C ZINC000058137247 568890331 /nfs/dbraw/zinc/89/03/31/568890331.db2.gz OQSUCVYWCVWYJW-KRWDZBQOSA-N 0 0 415.468 5.299 50 0 HKAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C ZINC000058137255 568890179 /nfs/dbraw/zinc/89/01/79/568890179.db2.gz OQSUCVYWCVWYJW-QGZVFWFLSA-N 0 0 415.468 5.299 50 0 HKAARN Clc1ccc(CSCCNc2nc(-c3ccncc3)nc3ccccc32)cn1 ZINC000058141401 558901440 /nfs/dbraw/zinc/90/14/40/558901440.db2.gz LFPDQMXWXRXBMC-UHFFFAOYSA-N 0 0 407.930 5.086 50 0 HKAARN CC(C)(NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058143010 568892069 /nfs/dbraw/zinc/89/20/69/568892069.db2.gz FFDICSAURBZOER-UHFFFAOYSA-N 0 0 417.292 5.504 50 0 HKAARN COc1ccc(-c2noc(CSCc3c(Cl)cccc3Cl)n2)c(OC)c1 ZINC000058143434 568892180 /nfs/dbraw/zinc/89/21/80/568892180.db2.gz DROAWGWEHGALPK-UHFFFAOYSA-N 0 0 411.310 5.494 50 0 HKAARN Cn1c(SCc2ncc(C(C)(C)C)o2)nc2scc(-c3cccs3)c2c1=O ZINC000058144918 558901876 /nfs/dbraw/zinc/90/18/76/558901876.db2.gz GBFWDQAKSJQAGF-UHFFFAOYSA-N 0 0 417.581 5.301 50 0 HKAARN Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1 ZINC000058147590 558902252 /nfs/dbraw/zinc/90/22/52/558902252.db2.gz FEOVRJWBVIYMKY-UHFFFAOYSA-N 0 0 412.481 5.125 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)N(Cc1ccccn1)C1CC1 ZINC000058147700 558902276 /nfs/dbraw/zinc/90/22/76/558902276.db2.gz IEYXSZVFLVCZSA-UHFFFAOYSA-N 0 0 418.463 5.287 50 0 HKAARN O=C(NCC1CCC1)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F ZINC000058148730 558902270 /nfs/dbraw/zinc/90/22/70/558902270.db2.gz FSZORQGTGSYOBZ-UHFFFAOYSA-N 0 0 409.383 5.018 50 0 HKAARN Cn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000058152953 558902680 /nfs/dbraw/zinc/90/26/80/558902680.db2.gz NNOIIFROGPFYBW-UHFFFAOYSA-N 0 0 411.383 5.618 50 0 HKAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000058155305 558902830 /nfs/dbraw/zinc/90/28/30/558902830.db2.gz TYEYNTNWDGGWTD-YZVOILCLSA-N 0 0 418.459 5.143 50 0 HKAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000058155310 558902899 /nfs/dbraw/zinc/90/28/99/558902899.db2.gz TYEYNTNWDGGWTD-DOXZYTNZSA-N 0 0 418.459 5.143 50 0 HKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1CN1CCSCC1 ZINC000058155811 568893184 /nfs/dbraw/zinc/89/31/84/568893184.db2.gz CJOKNZQEXSPXGM-UHFFFAOYSA-N 0 0 406.551 5.067 50 0 HKAARN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000058156625 568893326 /nfs/dbraw/zinc/89/33/26/568893326.db2.gz NASAHVMHVPVRTE-UHFFFAOYSA-N 0 0 420.534 5.056 50 0 HKAARN Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccc(Br)s1 ZINC000058157398 568893602 /nfs/dbraw/zinc/89/36/02/568893602.db2.gz CDMRFIWYUYZNQM-VQHVLOKHSA-N 0 0 420.357 5.047 50 0 HKAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C ZINC000058157575 568893527 /nfs/dbraw/zinc/89/35/27/568893527.db2.gz FZWUNMBKWDFOAJ-UHFFFAOYSA-N 0 0 410.543 5.391 50 0 HKAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000058157899 568893795 /nfs/dbraw/zinc/89/37/95/568893795.db2.gz CCUSIMVOHAYBFQ-UHFFFAOYSA-N 0 0 424.495 5.764 50 0 HKAARN Fc1c(F)c(F)c(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c(F)c1F ZINC000058158082 558903608 /nfs/dbraw/zinc/90/36/08/558903608.db2.gz NWWJFJCCEZTVOO-UHFFFAOYSA-N 0 0 418.409 5.371 50 0 HKAARN Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000058158665 558903838 /nfs/dbraw/zinc/90/38/38/558903838.db2.gz MXJDWFCCVDRFLI-UHFFFAOYSA-N 0 0 409.327 5.075 50 0 HKAARN CC(C)(c1ccccc1)c1ccc(OCCCCn2cnc3ccccc3c2=O)cc1 ZINC000058159013 558904091 /nfs/dbraw/zinc/90/40/91/558904091.db2.gz FWVHXJCAXNCMJW-UHFFFAOYSA-N 0 0 412.533 5.582 50 0 HKAARN CC(C)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000058159638 558904595 /nfs/dbraw/zinc/90/45/95/558904595.db2.gz FWRFHMZWNKJMLU-UHFFFAOYSA-N 0 0 414.962 5.199 50 0 HKAARN COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)cc1F ZINC000058159761 558904825 /nfs/dbraw/zinc/90/48/25/558904825.db2.gz STNAVVRRFLWAEU-UHFFFAOYSA-N 0 0 419.431 5.138 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3/C(=C\c3csc(-c4ccccn4)n3)C2=O)c1 ZINC000058159949 558904798 /nfs/dbraw/zinc/90/47/98/558904798.db2.gz UJQIEHCPGBXUDJ-KGENOOAVSA-N 0 0 423.497 5.241 50 0 HKAARN COc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F ZINC000058159951 568894155 /nfs/dbraw/zinc/89/41/55/568894155.db2.gz FMDUXXZRWHJJKM-HNNXBMFYSA-N 0 0 422.460 5.361 50 0 HKAARN COc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F ZINC000058159952 568894173 /nfs/dbraw/zinc/89/41/73/568894173.db2.gz FMDUXXZRWHJJKM-OAHLLOKOSA-N 0 0 422.460 5.361 50 0 HKAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1c(F)cccc1Cl ZINC000058159992 568894158 /nfs/dbraw/zinc/89/41/58/568894158.db2.gz WAUJIPHMAHDHTA-UHFFFAOYSA-N 0 0 415.704 6.086 50 0 HKAARN Cc1sc2[nH]c(CN3CCC[C@@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160092 558904865 /nfs/dbraw/zinc/90/48/65/558904865.db2.gz JZTNSWLEAWXWDV-QGZVFWFLSA-N 0 0 421.591 5.667 50 0 HKAARN Cc1sc2[nH]c(CN3CCC[C@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160093 558904853 /nfs/dbraw/zinc/90/48/53/558904853.db2.gz JZTNSWLEAWXWDV-KRWDZBQOSA-N 0 0 421.591 5.667 50 0 HKAARN O=c1nc(CN2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160094 558904904 /nfs/dbraw/zinc/90/49/04/558904904.db2.gz SQBBNPAFAQKSHU-INIZCTEOSA-N 0 0 411.527 5.189 50 0 HKAARN O=c1nc(CN2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000058160095 558904837 /nfs/dbraw/zinc/90/48/37/558904837.db2.gz SQBBNPAFAQKSHU-MRXNPFEDSA-N 0 0 411.527 5.189 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000058160498 558905084 /nfs/dbraw/zinc/90/50/84/558905084.db2.gz QXWHFCWESFVDSX-JOCHJYFZSA-N 0 0 413.546 5.886 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000058160499 558905068 /nfs/dbraw/zinc/90/50/68/558905068.db2.gz QXWHFCWESFVDSX-QFIPXVFZSA-N 0 0 413.546 5.886 50 0 HKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000058160517 568894230 /nfs/dbraw/zinc/89/42/30/568894230.db2.gz INGKECXHUODDEX-UHFFFAOYSA-N 0 0 408.501 5.797 50 0 HKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058160696 558905269 /nfs/dbraw/zinc/90/52/69/558905269.db2.gz FEECCBZUQICMEP-UHFFFAOYSA-N 0 0 400.566 6.251 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058160870 558905314 /nfs/dbraw/zinc/90/53/14/558905314.db2.gz AMSHVNYNGQATCG-UHFFFAOYSA-N 0 0 409.327 5.075 50 0 HKAARN CCn1c2ccccc2c(C(=O)CN(C)Cc2cccc(OC)c2)c1-c1ccccc1 ZINC000058160880 568894440 /nfs/dbraw/zinc/89/44/40/568894440.db2.gz LKWHJQYXUSNBGD-UHFFFAOYSA-N 0 0 412.533 5.652 50 0 HKAARN O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000058160908 558905267 /nfs/dbraw/zinc/90/52/67/558905267.db2.gz YSWXSDQSKSNZDL-UHFFFAOYSA-N 0 0 404.857 5.446 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000058161448 558905707 /nfs/dbraw/zinc/90/57/07/558905707.db2.gz AQOLHRGWHXCMKZ-UHFFFAOYSA-N 0 0 405.841 5.294 50 0 HKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Br)cnc1Cl ZINC000058162190 568894867 /nfs/dbraw/zinc/89/48/67/568894867.db2.gz LTVQKFXULPCYSJ-UHFFFAOYSA-N 0 0 412.671 5.012 50 0 HKAARN CCCN(Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@@H]1CCc2ccccc21 ZINC000058162815 568894844 /nfs/dbraw/zinc/89/48/44/568894844.db2.gz MZDWCWZNFZSYNB-RUZDIDTESA-N 0 0 409.533 5.421 50 0 HKAARN CCCN(Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@H]1CCc2ccccc21 ZINC000058162816 568894736 /nfs/dbraw/zinc/89/47/36/568894736.db2.gz MZDWCWZNFZSYNB-VWLOTQADSA-N 0 0 409.533 5.421 50 0 HKAARN CCCN(Cn1nc(-c2ccncc2)n(CCC)c1=S)[C@@H]1CCc2ccccc21 ZINC000058162840 568895008 /nfs/dbraw/zinc/89/50/08/568895008.db2.gz OEXPBPTXRJENSD-OAQYLSRUSA-N 0 0 407.587 5.243 50 0 HKAARN CCCN(Cn1nc(-c2ccncc2)n(CCC)c1=S)[C@H]1CCc2ccccc21 ZINC000058162841 568894986 /nfs/dbraw/zinc/89/49/86/568894986.db2.gz OEXPBPTXRJENSD-NRFANRHFSA-N 0 0 407.587 5.243 50 0 HKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2SC(F)(F)F)c1 ZINC000058163082 568894983 /nfs/dbraw/zinc/89/49/83/568894983.db2.gz HRISDJNALDNVDF-UHFFFAOYSA-N 0 0 422.428 5.735 50 0 HKAARN CCc1c(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)cnn1-c1ccccc1 ZINC000058163113 558906332 /nfs/dbraw/zinc/90/63/32/558906332.db2.gz PYYFYKZNCNPDDR-UHFFFAOYSA-N 0 0 410.521 5.154 50 0 HKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1OCc1cscn1 ZINC000058163121 558906458 /nfs/dbraw/zinc/90/64/58/558906458.db2.gz OWOJVOFEEWVNNJ-JXMROGBWSA-N 0 0 415.312 5.137 50 0 HKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058163263 558906576 /nfs/dbraw/zinc/90/65/76/558906576.db2.gz ADGXEIYIDBSAOS-UHFFFAOYSA-N 0 0 418.846 5.677 50 0 HKAARN CCOC(=O)c1c(CN(C)Cc2cccs2)nc2ccccc2c1-c1ccccc1 ZINC000058163308 558906588 /nfs/dbraw/zinc/90/65/88/558906588.db2.gz CJNXRAINIRERJI-UHFFFAOYSA-N 0 0 416.546 5.772 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058163982 558906510 /nfs/dbraw/zinc/90/65/10/558906510.db2.gz SLZXYGURMXYSNX-MRXNPFEDSA-N 0 0 403.551 5.537 50 0 HKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058163984 558906596 /nfs/dbraw/zinc/90/65/96/558906596.db2.gz SLZXYGURMXYSNX-INIZCTEOSA-N 0 0 403.551 5.537 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000058165822 558906701 /nfs/dbraw/zinc/90/67/01/558906701.db2.gz XTIMGIRHXULJEU-DGCWBMGLSA-N 0 0 406.929 5.480 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000058165824 558906770 /nfs/dbraw/zinc/90/67/70/558906770.db2.gz XTIMGIRHXULJEU-HKZYLEAXSA-N 0 0 406.929 5.480 50 0 HKAARN O=C(NCc1ccccc1OC1CCCC1)NCc1ccccc1OC1CCCC1 ZINC000058166619 558906927 /nfs/dbraw/zinc/90/69/27/558906927.db2.gz YEEHACQPHDABMW-UHFFFAOYSA-N 0 0 408.542 5.329 50 0 HKAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cc1 ZINC000058168134 568895581 /nfs/dbraw/zinc/89/55/81/568895581.db2.gz KCSGFAXDGAZTOJ-UHFFFAOYSA-N 0 0 417.939 5.147 50 0 HKAARN CC(=O)c1ccc(SCC(=O)Nc2ccc(NC3CCCCC3)cc2)c(F)c1 ZINC000058168750 568895575 /nfs/dbraw/zinc/89/55/75/568895575.db2.gz OZSKKOLPYUWKSW-UHFFFAOYSA-N 0 0 400.519 5.504 50 0 HKAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)C1CCCCC1 ZINC000058169909 558907931 /nfs/dbraw/zinc/90/79/31/558907931.db2.gz AILZKNZUSTXRSG-UHFFFAOYSA-N 0 0 407.539 5.118 50 0 HKAARN Cc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1C1CCCCC1 ZINC000058170346 558907866 /nfs/dbraw/zinc/90/78/66/558907866.db2.gz VEGYCKSCJQBLFK-UHFFFAOYSA-N 0 0 412.603 5.550 50 0 HKAARN Cc1cccc(C)c1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058172897 568896397 /nfs/dbraw/zinc/89/63/97/568896397.db2.gz LYJLSUMKFZWFPQ-UHFFFAOYSA-N 0 0 421.444 5.244 50 0 HKAARN CC[C@@H](C)Sc1ccc(NC(=O)COc2ccccc2OC)c(C(F)(F)F)c1 ZINC000058173010 558908577 /nfs/dbraw/zinc/90/85/77/558908577.db2.gz TVTKHCJMTHLUMN-CYBMUJFWSA-N 0 0 413.461 5.622 50 0 HKAARN CC[C@H](C)Sc1ccc(NC(=O)COc2ccccc2OC)c(C(F)(F)F)c1 ZINC000058173011 558908539 /nfs/dbraw/zinc/90/85/39/558908539.db2.gz TVTKHCJMTHLUMN-ZDUSSCGKSA-N 0 0 413.461 5.622 50 0 HKAARN Cc1nc(C2CC2)nc2sc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(N)c21 ZINC000058173209 558908556 /nfs/dbraw/zinc/90/85/56/558908556.db2.gz LBWPFIXVCSMOBY-UHFFFAOYSA-N 0 0 417.416 5.195 50 0 HKAARN CCCN(CC)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S ZINC000058173683 568896611 /nfs/dbraw/zinc/89/66/11/568896611.db2.gz XRKNFAPUFUFLPU-UHFFFAOYSA-N 0 0 418.607 5.293 50 0 HKAARN O=C(CN[C@@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 ZINC000058173719 558908836 /nfs/dbraw/zinc/90/88/36/558908836.db2.gz KERDBFPPPUORBE-MHZLTWQESA-N 0 0 424.500 5.502 50 0 HKAARN O=C(CN[C@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 ZINC000058173722 558908719 /nfs/dbraw/zinc/90/87/19/558908719.db2.gz KERDBFPPPUORBE-HHHXNRCGSA-N 0 0 424.500 5.502 50 0 HKAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000058174571 558908990 /nfs/dbraw/zinc/90/89/90/558908990.db2.gz JFSFZGUABGQWRM-UHFFFAOYSA-N 0 0 424.500 5.277 50 0 HKAARN CCc1cccc(C)c1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000058175681 558909453 /nfs/dbraw/zinc/90/94/53/558909453.db2.gz XIBMSLQGENJYMV-DEOSSOPVSA-N 0 0 409.982 6.672 50 0 HKAARN CCc1cccc(C)c1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000058175682 558909659 /nfs/dbraw/zinc/90/96/59/558909659.db2.gz XIBMSLQGENJYMV-XMMPIXPASA-N 0 0 409.982 6.672 50 0 HKAARN c1ccc2c(c1)nc(-c1ccncc1)nc2Oc1ccc(Sc2ccncc2)cc1 ZINC000058179692 558910058 /nfs/dbraw/zinc/91/00/58/558910058.db2.gz RFSHOSSWLNWOST-UHFFFAOYSA-N 0 0 408.486 6.030 50 0 HKAARN CN(Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)C(C1CC1)C1CC1 ZINC000058182243 558910314 /nfs/dbraw/zinc/91/03/14/558910314.db2.gz PYPORPNPMCWWOG-UHFFFAOYSA-N 0 0 410.612 5.269 50 0 HKAARN Cc1cccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000058183089 558910472 /nfs/dbraw/zinc/91/04/72/558910472.db2.gz NFHONHYOWFIWHQ-UHFFFAOYSA-N 0 0 421.444 5.244 50 0 HKAARN Cc1csc(Nc2cccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)n1 ZINC000058184176 558910413 /nfs/dbraw/zinc/91/04/13/558910413.db2.gz XQOWQPZWKKWACD-UHFFFAOYSA-N 0 0 418.478 5.293 50 0 HKAARN CCN(C(=O)NCc1ccc(OCc2cccnc2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000058196000 558910965 /nfs/dbraw/zinc/91/09/65/558910965.db2.gz VJJQKPUQZCUNNN-SFHVURJKSA-N 0 0 407.489 5.092 50 0 HKAARN CCN(C(=O)NCc1ccc(OCc2cccnc2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000058196002 558910890 /nfs/dbraw/zinc/91/08/90/558910890.db2.gz VJJQKPUQZCUNNN-GOSISDBHSA-N 0 0 407.489 5.092 50 0 HKAARN COCc1nccc([C@@H]2CCCN(C(=O)c3cc4sc5ccccc5c4s3)C2)n1 ZINC000058196153 558910968 /nfs/dbraw/zinc/91/09/68/558910968.db2.gz TZYNDSWNISCJGG-CQSZACIVSA-N 0 0 423.563 5.072 50 0 HKAARN COCc1nccc([C@H]2CCCN(C(=O)c3cc4sc5ccccc5c4s3)C2)n1 ZINC000058196155 558910875 /nfs/dbraw/zinc/91/08/75/558910875.db2.gz TZYNDSWNISCJGG-AWEZNQCLSA-N 0 0 423.563 5.072 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccs1 ZINC000058196598 558910980 /nfs/dbraw/zinc/91/09/80/558910980.db2.gz UZGKDXFSVHLJAN-UHFFFAOYSA-N 0 0 408.907 5.093 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000058196735 558911141 /nfs/dbraw/zinc/91/11/41/558911141.db2.gz QKSRWYFGEMUKTD-SANMLTNESA-N 0 0 419.528 6.216 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000058196737 558911177 /nfs/dbraw/zinc/91/11/77/558911177.db2.gz QKSRWYFGEMUKTD-AREMUKBSSA-N 0 0 419.528 6.216 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000058196784 558911165 /nfs/dbraw/zinc/91/11/65/558911165.db2.gz PAZLGNKQXBWOQY-VWLOTQADSA-N 0 0 405.501 5.908 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000058196788 558911175 /nfs/dbraw/zinc/91/11/75/558911175.db2.gz PAZLGNKQXBWOQY-RUZDIDTESA-N 0 0 405.501 5.908 50 0 HKAARN CCCCc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1 ZINC000058196813 558911100 /nfs/dbraw/zinc/91/11/00/558911100.db2.gz XTYNMDFUVAIWLY-UHFFFAOYSA-N 0 0 416.304 5.924 50 0 HKAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)COc1cc(Cl)ccc1Cl ZINC000058197246 558911178 /nfs/dbraw/zinc/91/11/78/558911178.db2.gz MEOIAYSHMLXILW-UHFFFAOYSA-N 0 0 419.308 5.118 50 0 HKAARN Cc1cccn2cc(Cc3nc(-c4ccc(NC(=O)C(C)(C)C)cc4)cs3)nc12 ZINC000058201210 568899735 /nfs/dbraw/zinc/89/97/35/568899735.db2.gz ZQXOANRHTPWEDT-UHFFFAOYSA-N 0 0 404.539 5.342 50 0 HKAARN CC(C)(C)c1cnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)o1 ZINC000058202587 558911692 /nfs/dbraw/zinc/91/16/92/558911692.db2.gz QXDZKLHXRXCNCE-UHFFFAOYSA-N 0 0 409.486 5.103 50 0 HKAARN Cc1cc(-c2nnco2)ccc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000058202768 558911681 /nfs/dbraw/zinc/91/16/81/558911681.db2.gz OZFQJQBJKIWZFV-UHFFFAOYSA-N 0 0 415.518 5.506 50 0 HKAARN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1Sc1ccccc1 ZINC000058203001 558911741 /nfs/dbraw/zinc/91/17/41/558911741.db2.gz DCBFJKULMSMIBJ-UHFFFAOYSA-N 0 0 406.898 5.324 50 0 HKAARN Cc1cccc(COc2cccc(C(=O)N(C)Cc3nc(C)c4ccccc4n3)c2)c1 ZINC000058218569 558913017 /nfs/dbraw/zinc/91/30/17/558913017.db2.gz PEJLYQTVTRBNSW-UHFFFAOYSA-N 0 0 411.505 5.098 50 0 HKAARN Cc1nc(CSc2ccc(C(=O)N(C)CCCNc3ccccc3)cc2)cs1 ZINC000058225793 558913727 /nfs/dbraw/zinc/91/37/27/558913727.db2.gz IQRBJJLNRHIZAV-UHFFFAOYSA-N 0 0 411.596 5.318 50 0 HKAARN CCC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000058225979 558913688 /nfs/dbraw/zinc/91/36/88/558913688.db2.gz HSXQZVZVJCSPQM-SFHVURJKSA-N 0 0 409.448 5.313 50 0 HKAARN CCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000058225981 558913656 /nfs/dbraw/zinc/91/36/56/558913656.db2.gz HSXQZVZVJCSPQM-GOSISDBHSA-N 0 0 409.448 5.313 50 0 HKAARN O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(NCC2CCCC2)cc1 ZINC000058227308 558913634 /nfs/dbraw/zinc/91/36/34/558913634.db2.gz HRBMPJWEQYRXNZ-UHFFFAOYSA-N 0 0 410.543 5.362 50 0 HKAARN CCC(CC)(NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(Cl)cc1 ZINC000058231005 558913818 /nfs/dbraw/zinc/91/38/18/558913818.db2.gz HCFVHEYULDTOCD-UHFFFAOYSA-N 0 0 401.894 5.134 50 0 HKAARN CC(C)n1ncc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C(F)(F)F ZINC000058244557 558914293 /nfs/dbraw/zinc/91/42/93/558914293.db2.gz UKBUOMLWQXPFLQ-UHFFFAOYSA-N 0 0 422.432 5.049 50 0 HKAARN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OC3CCCC3)cc2)n1 ZINC000058244661 558914347 /nfs/dbraw/zinc/91/43/47/558914347.db2.gz JLBGYLINOBJWMZ-UHFFFAOYSA-N 0 0 405.498 5.608 50 0 HKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccsc3)c3cccnc3)c12 ZINC000058244942 558914354 /nfs/dbraw/zinc/91/43/54/558914354.db2.gz YVKSIOSBZCOYDF-UHFFFAOYSA-N 0 0 416.462 5.095 50 0 HKAARN C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1 ZINC000058245631 558914500 /nfs/dbraw/zinc/91/45/00/558914500.db2.gz BJFDODWYWNZIBJ-INIZCTEOSA-N 0 0 405.885 5.058 50 0 HKAARN C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1 ZINC000058245632 558914478 /nfs/dbraw/zinc/91/44/78/558914478.db2.gz BJFDODWYWNZIBJ-MRXNPFEDSA-N 0 0 405.885 5.058 50 0 HKAARN CC(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3ccccc3Cl)cs2)n1 ZINC000058264118 558915266 /nfs/dbraw/zinc/91/52/66/558915266.db2.gz PIXXVTGOWOVAHA-UHFFFAOYSA-N 0 0 424.913 5.889 50 0 HKAARN COc1cccc(CN(Cc2csc(-c3cccs3)n2)C2CCC(O)CC2)c1 ZINC000058264342 558915270 /nfs/dbraw/zinc/91/52/70/558915270.db2.gz GGWIVULJRZCCCI-UHFFFAOYSA-N 0 0 414.596 5.186 50 0 HKAARN Cc1csc(-c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2)n1 ZINC000058264907 558915562 /nfs/dbraw/zinc/91/55/62/558915562.db2.gz QHBLEZFVTFEQNQ-UHFFFAOYSA-N 0 0 419.481 5.375 50 0 HKAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nccs2)CC1 ZINC000058265682 558915540 /nfs/dbraw/zinc/91/55/40/558915540.db2.gz IVDPRFNHLQMUIB-UHFFFAOYSA-N 0 0 406.429 5.442 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000058268765 558916079 /nfs/dbraw/zinc/91/60/79/558916079.db2.gz NOVJEQXQEWWNCK-FQEVSTJZSA-N 0 0 415.547 5.239 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058268766 558916031 /nfs/dbraw/zinc/91/60/31/558916031.db2.gz NOVJEQXQEWWNCK-HXUWFJFHSA-N 0 0 415.547 5.239 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000058268826 558915984 /nfs/dbraw/zinc/91/59/84/558915984.db2.gz HEBBYHLJIZJAJC-QHCPKHFHSA-N 0 0 409.518 5.178 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058268828 558916025 /nfs/dbraw/zinc/91/60/25/558916025.db2.gz HEBBYHLJIZJAJC-HSZRJFAPSA-N 0 0 409.518 5.178 50 0 HKAARN CC(C)c1noc(CCCC(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)n1 ZINC000058280957 558916437 /nfs/dbraw/zinc/91/64/37/558916437.db2.gz URRIGBORRPYVKE-UHFFFAOYSA-N 0 0 416.934 5.354 50 0 HKAARN CN(c1ccc(Br)cc1Cl)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000058281508 558916430 /nfs/dbraw/zinc/91/64/30/558916430.db2.gz AEKYEKXWVGBUGH-CMDGGOBGSA-N 0 0 421.143 5.193 50 0 HKAARN COc1cccc(CN(C)C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1OC ZINC000058289452 568908781 /nfs/dbraw/zinc/90/87/81/568908781.db2.gz WLAMHTYXBXUGCC-YDXVBCDDSA-N 0 0 419.565 5.200 50 0 HKAARN Cc1c2ccccc2oc1C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000058295012 558917164 /nfs/dbraw/zinc/91/71/64/558917164.db2.gz MAFZBVRNMRLJHF-UHFFFAOYSA-N 0 0 406.869 5.037 50 0 HKAARN COc1ccc(N(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)C(C)C)cc1F ZINC000058296273 558917107 /nfs/dbraw/zinc/91/71/07/558917107.db2.gz YHCIGWMCZIATQF-UHFFFAOYSA-N 0 0 416.493 5.384 50 0 HKAARN CN(C(=O)c1n[nH]c(C2CC2)c1Br)c1ccc(Oc2ccccc2)cc1 ZINC000058298305 558917572 /nfs/dbraw/zinc/91/75/72/558917572.db2.gz LMOVLVAGMSUGAW-UHFFFAOYSA-N 0 0 412.287 5.119 50 0 HKAARN CN(C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000058298386 558917546 /nfs/dbraw/zinc/91/75/46/558917546.db2.gz LJVVJCQTVBMBPA-UHFFFAOYSA-N 0 0 421.928 5.407 50 0 HKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC(F)F)c2C)c(Br)c1 ZINC000058305163 558917943 /nfs/dbraw/zinc/91/79/43/558917943.db2.gz PNFRRPCQFGKEPN-LBPRGKRZSA-N 0 0 414.246 5.073 50 0 HKAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(F)F)c2C)c(Br)c1 ZINC000058305164 558917952 /nfs/dbraw/zinc/91/79/52/558917952.db2.gz PNFRRPCQFGKEPN-GFCCVEGCSA-N 0 0 414.246 5.073 50 0 HKAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(Cl)c1 ZINC000058306817 558918456 /nfs/dbraw/zinc/91/84/56/558918456.db2.gz KSVQMDWLMAEVOZ-UHFFFAOYSA-N 0 0 406.935 5.147 50 0 HKAARN C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl ZINC000058310686 558918902 /nfs/dbraw/zinc/91/89/02/558918902.db2.gz FPGGXYCDRJBOMK-LBPRGKRZSA-N 0 0 418.280 5.721 50 0 HKAARN C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl ZINC000058310690 558918905 /nfs/dbraw/zinc/91/89/05/558918905.db2.gz FPGGXYCDRJBOMK-GFCCVEGCSA-N 0 0 418.280 5.721 50 0 HKAARN CN(C(=O)COc1ccc2ccccc2c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000058312022 558919021 /nfs/dbraw/zinc/91/90/21/558919021.db2.gz NLFWJMVABWXHGE-VWLOTQADSA-N 0 0 400.453 5.001 50 0 HKAARN CN(C(=O)COc1ccc2ccccc2c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000058312024 558919069 /nfs/dbraw/zinc/91/90/69/558919069.db2.gz NLFWJMVABWXHGE-RUZDIDTESA-N 0 0 400.453 5.001 50 0 HKAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2ccsc2)c1 ZINC000058313953 558919044 /nfs/dbraw/zinc/91/90/44/558919044.db2.gz MEARKMYZZBABAJ-GOSISDBHSA-N 0 0 414.939 5.510 50 0 HKAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2ccsc2)c1 ZINC000058313955 558919181 /nfs/dbraw/zinc/91/91/81/558919181.db2.gz MEARKMYZZBABAJ-SFHVURJKSA-N 0 0 414.939 5.510 50 0 HKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058315990 558919435 /nfs/dbraw/zinc/91/94/35/558919435.db2.gz SRUNOVHSXLTHRV-UHFFFAOYSA-N 0 0 411.937 5.217 50 0 HKAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000058324397 527110352 /nfs/dbraw/zinc/11/03/52/527110352.db2.gz QEHVOBJJNYKIOD-UHFFFAOYSA-N 0 0 411.716 5.525 50 0 HKAARN CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000058324548 525216339 /nfs/dbraw/zinc/21/63/39/525216339.db2.gz DQKDOKQYSMMKQT-UHFFFAOYSA-N 0 0 408.910 5.594 50 0 HKAARN CCS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C)cc3)c3ccccc3n2)c1 ZINC000058324579 558919576 /nfs/dbraw/zinc/91/95/76/558919576.db2.gz FJXRQAKJJQFJNB-UHFFFAOYSA-N 0 0 402.519 5.639 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000058325478 558919549 /nfs/dbraw/zinc/91/95/49/558919549.db2.gz KMYOVPZHQOIQHM-NRFANRHFSA-N 0 0 404.901 5.446 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000058325480 558919779 /nfs/dbraw/zinc/91/97/79/558919779.db2.gz KMYOVPZHQOIQHM-OAQYLSRUSA-N 0 0 404.901 5.446 50 0 HKAARN COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000058326961 558919789 /nfs/dbraw/zinc/91/97/89/558919789.db2.gz DFNMQNJPKWJHDI-OAQYLSRUSA-N 0 0 424.585 6.155 50 0 HKAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000058326964 558919834 /nfs/dbraw/zinc/91/98/34/558919834.db2.gz DFNMQNJPKWJHDI-NRFANRHFSA-N 0 0 424.585 6.155 50 0 HKAARN CN(Cc1cc(Br)cs1)C(=O)c1cccnc1Nc1ccccc1F ZINC000058328101 558919803 /nfs/dbraw/zinc/91/98/03/558919803.db2.gz VHQDECRTHIIQDJ-UHFFFAOYSA-N 0 0 420.307 5.061 50 0 HKAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000058328275 558919734 /nfs/dbraw/zinc/91/97/34/558919734.db2.gz PRDKCJKBHXPKOB-UHFFFAOYSA-N 0 0 422.550 5.027 50 0 HKAARN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccnc1Nc1cccc(F)c1 ZINC000058328724 558919974 /nfs/dbraw/zinc/91/99/74/558919974.db2.gz VEYIZJJIZJMZLO-UHFFFAOYSA-N 0 0 407.464 5.345 50 0 HKAARN Cc1ccc(C)c(N(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C(C)C)c1 ZINC000058332139 558920178 /nfs/dbraw/zinc/92/01/78/558920178.db2.gz XAEGWVJGHMNXTL-UHFFFAOYSA-N 0 0 421.562 5.333 50 0 HKAARN CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3cccnc3)s2)cc1 ZINC000058332177 558920142 /nfs/dbraw/zinc/92/01/42/558920142.db2.gz OKUQPUSIQHQCKS-UHFFFAOYSA-N 0 0 416.597 5.080 50 0 HKAARN Cc1nc2scc(-c3cccs3)c2c(Nc2ccn(CCc3ccccn3)n2)n1 ZINC000058332333 558920183 /nfs/dbraw/zinc/92/01/83/558920183.db2.gz TWPUQCIWYZQARR-UHFFFAOYSA-N 0 0 418.551 5.306 50 0 HKAARN COc1ccc(CN(C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058341242 558920273 /nfs/dbraw/zinc/92/02/73/558920273.db2.gz HVSBPQIBSNPQKA-UHFFFAOYSA-N 0 0 411.502 5.186 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1Cc1ccccc1 ZINC000058341411 568913029 /nfs/dbraw/zinc/91/30/29/568913029.db2.gz SNQBPJOZRRAWGB-UHFFFAOYSA-N 0 0 411.505 5.605 50 0 HKAARN Cc1ccc(Oc2ccc(NC(=O)NCCc3coc(-c4ccccc4)n3)cn2)cc1 ZINC000058343185 568913025 /nfs/dbraw/zinc/91/30/25/568913025.db2.gz FAHMGAAQFMTROG-UHFFFAOYSA-N 0 0 414.465 5.202 50 0 HKAARN CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2SC(F)F)c(C)n1 ZINC000058343322 558920734 /nfs/dbraw/zinc/92/07/34/558920734.db2.gz ZECZBYZTTANJQY-UHFFFAOYSA-N 0 0 417.934 5.355 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c1I ZINC000058343759 558920840 /nfs/dbraw/zinc/92/08/40/558920840.db2.gz KJPBICKOACMNRH-UHFFFAOYSA-N 0 0 413.258 5.104 50 0 HKAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000058344443 558920911 /nfs/dbraw/zinc/92/09/11/558920911.db2.gz UKBUEVJNDIZPDB-OAQYLSRUSA-N 0 0 401.453 5.484 50 0 HKAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000058344445 558921071 /nfs/dbraw/zinc/92/10/71/558921071.db2.gz UKBUEVJNDIZPDB-NRFANRHFSA-N 0 0 401.453 5.484 50 0 HKAARN Cc1ccc(C)n1C1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000058344911 558921149 /nfs/dbraw/zinc/92/11/49/558921149.db2.gz FQMKYIDTRRKKAD-UHFFFAOYSA-N 0 0 416.525 5.226 50 0 HKAARN Cc1cc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)ccc1Br ZINC000058345544 558921110 /nfs/dbraw/zinc/92/11/10/558921110.db2.gz QVOZIGYHUMUSDD-UHFFFAOYSA-N 0 0 424.342 5.429 50 0 HKAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000058355014 558921132 /nfs/dbraw/zinc/92/11/32/558921132.db2.gz PJLWQCJAWBFOSB-UHFFFAOYSA-N 0 0 406.526 5.236 50 0 HKAARN CC[C@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1cccs1 ZINC000058355661 558921296 /nfs/dbraw/zinc/92/12/96/558921296.db2.gz GBZAAEHEAOENCT-FQEVSTJZSA-N 0 0 422.554 5.651 50 0 HKAARN CC[C@@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1cccs1 ZINC000058355663 558921364 /nfs/dbraw/zinc/92/13/64/558921364.db2.gz GBZAAEHEAOENCT-HXUWFJFHSA-N 0 0 422.554 5.651 50 0 HKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000058355752 558921272 /nfs/dbraw/zinc/92/12/72/558921272.db2.gz GIUPYZUGQAIXBN-UHFFFAOYSA-N 0 0 418.905 6.924 50 0 HKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1csc(Br)c1 ZINC000058356224 558921349 /nfs/dbraw/zinc/92/13/49/558921349.db2.gz NXNYGYAFPVVXME-UHFFFAOYSA-N 0 0 401.329 5.057 50 0 HKAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000058357034 558921501 /nfs/dbraw/zinc/92/15/01/558921501.db2.gz JKZBEMSUDNWXRP-OAQYLSRUSA-N 0 0 411.343 5.617 50 0 HKAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000058357035 558921585 /nfs/dbraw/zinc/92/15/85/558921585.db2.gz JKZBEMSUDNWXRP-NRFANRHFSA-N 0 0 411.343 5.617 50 0 HKAARN CC(C)[C@H](NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)c1cccs1 ZINC000058357143 558921601 /nfs/dbraw/zinc/92/16/01/558921601.db2.gz MUYZAKKZGBTBPJ-SFHVURJKSA-N 0 0 405.951 5.156 50 0 HKAARN CC(C)[C@@H](NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)c1cccs1 ZINC000058357144 558921457 /nfs/dbraw/zinc/92/14/57/558921457.db2.gz MUYZAKKZGBTBPJ-GOSISDBHSA-N 0 0 405.951 5.156 50 0 HKAARN CN(Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCc2ccccc21 ZINC000058357445 558921589 /nfs/dbraw/zinc/92/15/89/558921589.db2.gz IWXJEJFDOGGQRK-OAHLLOKOSA-N 0 0 404.333 5.070 50 0 HKAARN CN(Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCCc2ccccc21 ZINC000058357446 558921463 /nfs/dbraw/zinc/92/14/63/558921463.db2.gz IWXJEJFDOGGQRK-HNNXBMFYSA-N 0 0 404.333 5.070 50 0 HKAARN CC(=O)Nc1ccc(C)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000058357625 558921667 /nfs/dbraw/zinc/92/16/67/558921667.db2.gz DZGLKBSKFOWZFL-UHFFFAOYSA-N 0 0 407.084 5.214 50 0 HKAARN O=S(=O)(Nc1ccc(Oc2cnccn2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000058358192 558921909 /nfs/dbraw/zinc/92/19/09/558921909.db2.gz DCHKYJMDLQILPX-UHFFFAOYSA-N 0 0 409.511 5.117 50 0 HKAARN Fc1ccc(-n2ncc3c2ncnc3SCc2csc(Br)c2)cc1 ZINC000058365464 558922171 /nfs/dbraw/zinc/92/21/71/558922171.db2.gz CUVXSADJSZRBON-UHFFFAOYSA-N 0 0 421.320 5.071 50 0 HKAARN Cc1ccsc1CN(C)C(=O)COc1ccc2ccccc2c1Br ZINC000058369145 558922565 /nfs/dbraw/zinc/92/25/65/558922565.db2.gz FJQPBDWIXKKRDQ-UHFFFAOYSA-N 0 0 404.329 5.010 50 0 HKAARN O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1CC(F)(F)F ZINC000058377356 558922710 /nfs/dbraw/zinc/92/27/10/558922710.db2.gz NWJWMVXPFNFFLA-MRXNPFEDSA-N 0 0 407.392 5.078 50 0 HKAARN O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1CC(F)(F)F ZINC000058377358 558922797 /nfs/dbraw/zinc/92/27/97/558922797.db2.gz NWJWMVXPFNFFLA-INIZCTEOSA-N 0 0 407.392 5.078 50 0 HKAARN Fc1ccc(CNc2nnc(SCc3cc(Cl)nc(Cl)c3)s2)cc1 ZINC000058377729 558922818 /nfs/dbraw/zinc/92/28/18/558922818.db2.gz MHSJDLOGJWJOES-UHFFFAOYSA-N 0 0 401.319 5.283 50 0 HKAARN Nc1c(Cl)cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl ZINC000058377732 558922822 /nfs/dbraw/zinc/92/28/22/558922822.db2.gz JDEAVZHFVXLUFM-UHFFFAOYSA-N 0 0 424.287 6.150 50 0 HKAARN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000058377911 568915015 /nfs/dbraw/zinc/91/50/15/568915015.db2.gz KNWZDWTYJUWNBJ-UHFFFAOYSA-N 0 0 407.901 5.009 50 0 HKAARN CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000058377917 558922831 /nfs/dbraw/zinc/92/28/31/558922831.db2.gz MJJBATRFVDKGOI-VWLOTQADSA-N 0 0 412.464 5.875 50 0 HKAARN CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000058377918 558922828 /nfs/dbraw/zinc/92/28/28/558922828.db2.gz MJJBATRFVDKGOI-RUZDIDTESA-N 0 0 412.464 5.875 50 0 HKAARN Cc1ccc(-c2cnc(CCc3nc4ccccc4c(=O)n3-c3cccc(C)c3)o2)cc1 ZINC000058378059 558922974 /nfs/dbraw/zinc/92/29/74/558922974.db2.gz OJEFVWKZWFIGER-UHFFFAOYSA-N 0 0 421.500 5.443 50 0 HKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000058378265 558922983 /nfs/dbraw/zinc/92/29/83/558922983.db2.gz FKUQQOLBTKYHDC-UHFFFAOYSA-N 0 0 417.896 5.844 50 0 HKAARN Cn1c2ccccc2nc1[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000058378280 558923019 /nfs/dbraw/zinc/92/30/19/558923019.db2.gz BAJOMIMADXSQLP-HXUWFJFHSA-N 0 0 409.411 5.112 50 0 HKAARN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000058378281 558923026 /nfs/dbraw/zinc/92/30/26/558923026.db2.gz BAJOMIMADXSQLP-FQEVSTJZSA-N 0 0 409.411 5.112 50 0 HKAARN Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3N3CCCCC3)co2)cc1 ZINC000058378450 568915020 /nfs/dbraw/zinc/91/50/20/568915020.db2.gz MDCLIBZZKNTCPA-UHFFFAOYSA-N 0 0 404.514 5.005 50 0 HKAARN O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000058381296 558923142 /nfs/dbraw/zinc/92/31/42/558923142.db2.gz XYUHUHMPVPMKFI-UHFFFAOYSA-N 0 0 409.898 5.359 50 0 HKAARN Cc1c(C(=O)Nc2nc(-c3ccccc3)ns2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000058381688 558923145 /nfs/dbraw/zinc/92/31/45/558923145.db2.gz NZZUOFOGGUHHMH-UHFFFAOYSA-N 0 0 423.567 5.376 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(-c4cnco4)cc3)s2)c1Cl ZINC000058391086 558923397 /nfs/dbraw/zinc/92/33/97/558923397.db2.gz MMZQQHHGFOXMQS-UHFFFAOYSA-N 0 0 409.898 5.603 50 0 HKAARN CCc1cccc(C)c1NC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000058392319 558923461 /nfs/dbraw/zinc/92/34/61/558923461.db2.gz IQWXOJLIDJVMNM-OAQYLSRUSA-N 0 0 410.558 5.594 50 0 HKAARN CCc1cccc(C)c1NC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000058392320 558923513 /nfs/dbraw/zinc/92/35/13/558923513.db2.gz IQWXOJLIDJVMNM-NRFANRHFSA-N 0 0 410.558 5.594 50 0 HKAARN Cc1nc2ccc(C(=O)N([C@@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc2nc1C ZINC000058392634 558923593 /nfs/dbraw/zinc/92/35/93/558923593.db2.gz KWHOPTGYRXDCDJ-HNNXBMFYSA-N 0 0 413.443 5.631 50 0 HKAARN Cc1nc2ccc(C(=O)N([C@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc2nc1C ZINC000058392635 558923562 /nfs/dbraw/zinc/92/35/62/558923562.db2.gz KWHOPTGYRXDCDJ-OAHLLOKOSA-N 0 0 413.443 5.631 50 0 HKAARN COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C(F)(F)F)c1 ZINC000058393534 558923687 /nfs/dbraw/zinc/92/36/87/558923687.db2.gz YTZMUPIKWIBXMI-UHFFFAOYSA-N 0 0 412.367 5.775 50 0 HKAARN CC(C)(C)C1CCC(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000058393651 558923934 /nfs/dbraw/zinc/92/39/34/558923934.db2.gz NMZREYVKQHQEGJ-LMDPOFIKSA-N 0 0 417.569 5.038 50 0 HKAARN CC(C)(C)C1CCC(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000058393652 558924001 /nfs/dbraw/zinc/92/40/01/558924001.db2.gz NMZREYVKQHQEGJ-VIQWUECVSA-N 0 0 417.569 5.038 50 0 HKAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000058393939 558924031 /nfs/dbraw/zinc/92/40/31/558924031.db2.gz MOGPSLMKRQNIFR-UHFFFAOYSA-N 0 0 422.218 5.171 50 0 HKAARN O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000058394102 568916106 /nfs/dbraw/zinc/91/61/06/568916106.db2.gz NQIAFELZQRJTPM-UHFFFAOYSA-N 0 0 414.427 5.364 50 0 HKAARN O=C(Nc1nnc(-c2ccsc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058394120 558923929 /nfs/dbraw/zinc/92/39/29/558923929.db2.gz WJTRUKNMMYYQNI-UHFFFAOYSA-N 0 0 423.363 5.557 50 0 HKAARN COc1cccc2c1N(Cc1csc(N(C(C)=O)c3ccc(C)cc3)n1)CCC2 ZINC000058402423 524232703 /nfs/dbraw/zinc/23/27/03/524232703.db2.gz BXVOZGKBOVKFQH-UHFFFAOYSA-N 0 0 407.539 5.098 50 0 HKAARN Cc1cc(-c2csc(C(C)C)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058404538 568916642 /nfs/dbraw/zinc/91/66/42/568916642.db2.gz YDQUCVODKAWLIV-UHFFFAOYSA-N 0 0 406.555 5.139 50 0 HKAARN Cc1cc(Br)oc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000058406305 568916775 /nfs/dbraw/zinc/91/67/75/568916775.db2.gz UXMFJHYRLJZWTA-UHFFFAOYSA-N 0 0 415.287 5.085 50 0 HKAARN Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000058406650 558924517 /nfs/dbraw/zinc/92/45/17/558924517.db2.gz IIWUHJCRKNXDNZ-MRXNPFEDSA-N 0 0 403.345 5.137 50 0 HKAARN Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000058406651 558924508 /nfs/dbraw/zinc/92/45/08/558924508.db2.gz IIWUHJCRKNXDNZ-INIZCTEOSA-N 0 0 403.345 5.137 50 0 HKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 ZINC000058406754 558924695 /nfs/dbraw/zinc/92/46/95/558924695.db2.gz UDNAWLIYQLRERB-CQSZACIVSA-N 0 0 421.497 5.712 50 0 HKAARN Cc1nc(C)c([C@H](C)NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 ZINC000058406755 558924748 /nfs/dbraw/zinc/92/47/48/558924748.db2.gz UDNAWLIYQLRERB-AWEZNQCLSA-N 0 0 421.497 5.712 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000058406974 558924749 /nfs/dbraw/zinc/92/47/49/558924749.db2.gz NKEWOAZKJREGPV-UHFFFAOYSA-N 0 0 414.248 5.864 50 0 HKAARN Cc1cn2cc(NC(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)ccc2n1 ZINC000058406998 558924757 /nfs/dbraw/zinc/92/47/57/558924757.db2.gz ANQBBCRNXBLKIP-UHFFFAOYSA-N 0 0 424.913 5.171 50 0 HKAARN Cc1cc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)c(C)o1 ZINC000058407019 558924914 /nfs/dbraw/zinc/92/49/14/558924914.db2.gz RWGYTHONLWTWTN-UHFFFAOYSA-N 0 0 416.593 6.141 50 0 HKAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000058407481 558924869 /nfs/dbraw/zinc/92/48/69/558924869.db2.gz RJTINZGIYSKUES-UHFFFAOYSA-N 0 0 423.900 5.264 50 0 HKAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000058407494 558924801 /nfs/dbraw/zinc/92/48/01/558924801.db2.gz AHENDGDOLDVTEL-NRFANRHFSA-N 0 0 408.498 5.215 50 0 HKAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000058407495 558924910 /nfs/dbraw/zinc/92/49/10/558924910.db2.gz AHENDGDOLDVTEL-OAQYLSRUSA-N 0 0 408.498 5.215 50 0 HKAARN Cc1ccc(-c2csc3ncnc(N4CCC(NC(=O)OC(C)(C)C)CC4)c23)cc1 ZINC000058407508 558924911 /nfs/dbraw/zinc/92/49/11/558924911.db2.gz XLJSUFGVURYUEV-UHFFFAOYSA-N 0 0 424.570 5.160 50 0 HKAARN CCn1ncc2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000058407582 558924827 /nfs/dbraw/zinc/92/48/27/558924827.db2.gz NSXYHGAPHQVQLY-UHFFFAOYSA-N 0 0 401.310 5.346 50 0 HKAARN O=C(COc1ccc2cc(Br)ccc2c1)Nc1cccc(-c2cnco2)c1 ZINC000058412305 558925047 /nfs/dbraw/zinc/92/50/47/558925047.db2.gz IRAQOPHDACVJHA-UHFFFAOYSA-N 0 0 423.266 5.275 50 0 HKAARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000058414024 558925305 /nfs/dbraw/zinc/92/53/05/558925305.db2.gz ILZSXNULHXPCBP-UHFFFAOYSA-N 0 0 404.486 5.125 50 0 HKAARN Cc1ccc(-c2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)co2)cc1 ZINC000058416955 558925437 /nfs/dbraw/zinc/92/54/37/558925437.db2.gz DJLQMAPEARBRHQ-UHFFFAOYSA-N 0 0 405.475 5.062 50 0 HKAARN Cc1c(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)sc2nc(C3CC3)nc(C)c12 ZINC000058417334 558925403 /nfs/dbraw/zinc/92/54/03/558925403.db2.gz LGKODTMBNPNGON-UHFFFAOYSA-N 0 0 412.534 5.422 50 0 HKAARN CCC[C@@H]1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 ZINC000058418776 558925660 /nfs/dbraw/zinc/92/56/60/558925660.db2.gz RHNLHIRCLFYCEZ-LJQANCHMSA-N 0 0 403.526 5.754 50 0 HKAARN CCC[C@H]1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 ZINC000058418777 558925643 /nfs/dbraw/zinc/92/56/43/558925643.db2.gz RHNLHIRCLFYCEZ-IBGZPJMESA-N 0 0 403.526 5.754 50 0 HKAARN O=C(NC1CCSCC1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000058419833 558925695 /nfs/dbraw/zinc/92/56/95/558925695.db2.gz HBLUSEVUJOCQAV-UHFFFAOYSA-N 0 0 400.594 5.214 50 0 HKAARN CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000058420665 568917444 /nfs/dbraw/zinc/91/74/44/568917444.db2.gz SCTOIKQLOBDDID-UHFFFAOYSA-N 0 0 422.937 5.984 50 0 HKAARN O=C(Nc1ccccc1NCC(F)(F)F)c1cc2c(s1)-c1ccccc1OC2 ZINC000058421224 558925857 /nfs/dbraw/zinc/92/58/57/558925857.db2.gz CFPCXCDAQDCHFI-UHFFFAOYSA-N 0 0 404.413 5.534 50 0 HKAARN C[C@H](Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl)c1ccccc1 ZINC000058423371 558925802 /nfs/dbraw/zinc/92/58/02/558925802.db2.gz GXDORVVABDVQOI-HNNXBMFYSA-N 0 0 418.880 5.872 50 0 HKAARN C[C@@H](Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl)c1ccccc1 ZINC000058423372 558925792 /nfs/dbraw/zinc/92/57/92/558925792.db2.gz GXDORVVABDVQOI-OAHLLOKOSA-N 0 0 418.880 5.872 50 0 HKAARN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058426820 558926208 /nfs/dbraw/zinc/92/62/08/558926208.db2.gz WNWGSYSGBSDRTD-XCLFUZPHSA-N 0 0 413.315 5.063 50 0 HKAARN Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058426822 558926211 /nfs/dbraw/zinc/92/62/11/558926211.db2.gz WNWGSYSGBSDRTD-RBZFPXEDSA-N 0 0 413.315 5.063 50 0 HKAARN Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058426827 558926214 /nfs/dbraw/zinc/92/62/14/558926214.db2.gz WNWGSYSGBSDRTD-ZUOKHONESA-N 0 0 413.315 5.063 50 0 HKAARN Cc1noc(C)c1[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058426831 558926233 /nfs/dbraw/zinc/92/62/33/558926233.db2.gz WNWGSYSGBSDRTD-RNODOKPDSA-N 0 0 413.315 5.063 50 0 HKAARN O=C(Nc1ccccc1OCc1cscn1)c1[nH]c2ccc(F)cc2c1Cl ZINC000058430522 558926387 /nfs/dbraw/zinc/92/63/87/558926387.db2.gz BYHBTDRKOSMCGG-UHFFFAOYSA-N 0 0 401.850 5.248 50 0 HKAARN O=C(Nc1cccc(C2SCCCS2)c1)c1cccn(Cc2ccccc2)c1=O ZINC000058432666 558926570 /nfs/dbraw/zinc/92/65/70/558926570.db2.gz GUCRGPOLTQTHMH-UHFFFAOYSA-N 0 0 422.575 5.018 50 0 HKAARN Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1C ZINC000058434063 558926868 /nfs/dbraw/zinc/92/68/68/558926868.db2.gz PLVNOFGBQQHSGS-UHFFFAOYSA-N 0 0 416.506 5.591 50 0 HKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000058434095 558926888 /nfs/dbraw/zinc/92/68/88/558926888.db2.gz CBXLNGSAFZBDLD-UHFFFAOYSA-N 0 0 405.841 5.743 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)C1CCCCCCC1 ZINC000058438084 558927096 /nfs/dbraw/zinc/92/70/96/558927096.db2.gz LZWLEKTZDTXZCJ-UHFFFAOYSA-N 0 0 418.990 6.147 50 0 HKAARN Cc1nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438102 558927196 /nfs/dbraw/zinc/92/71/96/558927196.db2.gz WVNPOQJTHSIHSC-HSZRJFAPSA-N 0 0 404.583 5.270 50 0 HKAARN Cc1nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000058438103 558927185 /nfs/dbraw/zinc/92/71/85/558927185.db2.gz WVNPOQJTHSIHSC-QHCPKHFHSA-N 0 0 404.583 5.270 50 0 HKAARN Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000058438719 558927159 /nfs/dbraw/zinc/92/71/59/558927159.db2.gz JODSWTWOXVVMBL-UHFFFAOYSA-N 0 0 413.717 5.179 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000058439763 568918844 /nfs/dbraw/zinc/91/88/44/568918844.db2.gz QADHYJBIIRQSOF-ZDUSSCGKSA-N 0 0 416.905 5.592 50 0 HKAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000058439765 568918861 /nfs/dbraw/zinc/91/88/61/568918861.db2.gz QADHYJBIIRQSOF-CYBMUJFWSA-N 0 0 416.905 5.592 50 0 HKAARN CCc1nc(COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)cs1 ZINC000058440102 568919043 /nfs/dbraw/zinc/91/90/43/568919043.db2.gz VXMFKFPUSUUTLM-UHFFFAOYSA-N 0 0 402.519 5.998 50 0 HKAARN CC(=O)c1cc2c(N)c(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)sc2nc1C ZINC000058444240 558927723 /nfs/dbraw/zinc/92/77/23/558927723.db2.gz LGZNHUJOFBSVDU-QMMMGPOBSA-N 0 0 422.337 5.187 50 0 HKAARN CC(=O)c1cc2c(N)c(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)sc2nc1C ZINC000058444242 558927780 /nfs/dbraw/zinc/92/77/80/558927780.db2.gz LGZNHUJOFBSVDU-MRVPVSSYSA-N 0 0 422.337 5.187 50 0 HKAARN CN(Cc1cccc(Cl)c1Cl)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000058449056 558927994 /nfs/dbraw/zinc/92/79/94/558927994.db2.gz CYEYASZDHLLEFB-UHFFFAOYSA-N 0 0 416.230 5.293 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000058451775 558927961 /nfs/dbraw/zinc/92/79/61/558927961.db2.gz IPDLBPOODBNKIX-FQEVSTJZSA-N 0 0 418.846 5.828 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCc1ccccc1)c1ccccc1 ZINC000058451776 558927976 /nfs/dbraw/zinc/92/79/76/558927976.db2.gz IPDLBPOODBNKIX-HXUWFJFHSA-N 0 0 418.846 5.828 50 0 HKAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCc2c(C)nn(C)c2C)cc1 ZINC000058476031 558928181 /nfs/dbraw/zinc/92/81/81/558928181.db2.gz JQHUWGWWSBERMK-UHFFFAOYSA-N 0 0 419.569 5.335 50 0 HKAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000058481341 558928224 /nfs/dbraw/zinc/92/82/24/558928224.db2.gz AUTAINJLICUPNP-CQSZACIVSA-N 0 0 400.525 5.113 50 0 HKAARN CC[C@H]1c2ccsc2CCN1C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000058481342 558928189 /nfs/dbraw/zinc/92/81/89/558928189.db2.gz AUTAINJLICUPNP-AWEZNQCLSA-N 0 0 400.525 5.113 50 0 HKAARN Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)c(F)c2F)c2cnn(C(C)C)c2n1 ZINC000058505506 558928403 /nfs/dbraw/zinc/92/84/03/558928403.db2.gz SIPBIRPMQVZWLN-UHFFFAOYSA-N 0 0 424.426 5.657 50 0 HKAARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1nc(-c2ccccc2)cs1 ZINC000058509008 558928365 /nfs/dbraw/zinc/92/83/65/558928365.db2.gz JILKMWKLWRHTPK-RMKNXTFCSA-N 0 0 408.910 5.112 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]1c1ccsc1 ZINC000058521897 558928393 /nfs/dbraw/zinc/92/83/93/558928393.db2.gz FTKQCLCUIBEDCG-AWEZNQCLSA-N 0 0 408.367 6.155 50 0 HKAARN Cc1cc(NC(=O)c2ccnc(Cl)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000058582604 558928743 /nfs/dbraw/zinc/92/87/43/558928743.db2.gz CJXCMEHSAKVYDN-UHFFFAOYSA-N 0 0 415.202 5.154 50 0 HKAARN CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N[C@@H](C)c1ccccc1 ZINC000058582945 568926098 /nfs/dbraw/zinc/92/60/98/568926098.db2.gz SIPLDWKCFLEICO-UPGFSEOHSA-N 0 0 401.635 6.872 50 0 in-vitro HKAARN O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cc(Cl)sc1Cl ZINC000058612125 568926731 /nfs/dbraw/zinc/92/67/31/568926731.db2.gz UTZLIOIFVPSXMW-UHFFFAOYSA-N 0 0 402.280 5.010 50 0 HKAARN O=C(NCc1sccc1Br)Nc1cccc(C2SCCS2)c1 ZINC000058612817 558928931 /nfs/dbraw/zinc/92/89/31/558928931.db2.gz NOZFHVUDDQROHE-UHFFFAOYSA-N 0 0 415.403 5.311 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n(Cc2ccccc2)n1 ZINC000058638241 558928973 /nfs/dbraw/zinc/92/89/73/558928973.db2.gz ZNJPTHFMBNDEAK-UHFFFAOYSA-N 0 0 403.313 5.183 50 0 HKAARN CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1C ZINC000058641631 558929137 /nfs/dbraw/zinc/92/91/37/558929137.db2.gz TXDYVBLIOYZRSZ-UHFFFAOYSA-N 0 0 400.931 5.280 50 0 HKAARN O=C(OCc1csc(Br)c1)c1ccccc1C(=O)c1cccs1 ZINC000058654225 558929257 /nfs/dbraw/zinc/92/92/57/558929257.db2.gz ZLQCHGQOYUMJAO-UHFFFAOYSA-N 0 0 407.310 5.160 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnc(Cl)c(Cl)c1 ZINC000058659977 558929094 /nfs/dbraw/zinc/92/90/94/558929094.db2.gz WZNYBYFQMWJVLH-UHFFFAOYSA-N 0 0 418.227 5.783 50 0 HKAARN CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 ZINC000058670162 558929404 /nfs/dbraw/zinc/92/94/04/558929404.db2.gz JQYMPPOOEKCMIZ-UHFFFAOYSA-N 0 0 407.326 5.133 50 0 HKAARN CC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 ZINC000058690420 558929411 /nfs/dbraw/zinc/92/94/11/558929411.db2.gz UADLDSIFMMJWAK-FQEVSTJZSA-N 0 0 414.958 5.494 50 0 HKAARN CC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 ZINC000058690422 558929362 /nfs/dbraw/zinc/92/93/62/558929362.db2.gz UADLDSIFMMJWAK-HXUWFJFHSA-N 0 0 414.958 5.494 50 0 HKAARN CCOc1ccccc1OCC(=O)N([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000058700917 558929370 /nfs/dbraw/zinc/92/93/70/558929370.db2.gz IGGNLUZIFFOILT-HNNXBMFYSA-N 0 0 407.432 5.235 50 0 HKAARN CCOc1ccccc1OCC(=O)N([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000058700919 558929366 /nfs/dbraw/zinc/92/93/66/558929366.db2.gz IGGNLUZIFFOILT-OAHLLOKOSA-N 0 0 407.432 5.235 50 0 HKAARN C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 ZINC000058715930 558929619 /nfs/dbraw/zinc/92/96/19/558929619.db2.gz BEPXHMNNWRJSPV-LBPRGKRZSA-N 0 0 415.253 5.371 50 0 HKAARN C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 ZINC000058715933 558929612 /nfs/dbraw/zinc/92/96/12/558929612.db2.gz BEPXHMNNWRJSPV-GFCCVEGCSA-N 0 0 415.253 5.371 50 0 HKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H]1COc2ccccc21 ZINC000058729476 558929665 /nfs/dbraw/zinc/92/96/65/558929665.db2.gz YFCVDQMTXFXACU-OAHLLOKOSA-N 0 0 404.413 5.001 50 0 HKAARN O=C(NCc1sccc1Br)C1c2ccccc2Oc2ccccc21 ZINC000058764514 558930125 /nfs/dbraw/zinc/93/01/25/558930125.db2.gz LYHBHHXPIPYAPW-UHFFFAOYSA-N 0 0 400.297 5.065 50 0 HKAARN O=c1nc(CSc2ccc(Cl)c(C(F)(F)F)c2)[nH]c2sc3c(c21)CCC3 ZINC000058764902 558930088 /nfs/dbraw/zinc/93/00/88/558930088.db2.gz LLUAFGRPKKKPCN-UHFFFAOYSA-N 0 0 416.877 5.438 50 0 HKAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(C2SCCCS2)cc1 ZINC000058779333 558930045 /nfs/dbraw/zinc/93/00/45/558930045.db2.gz NPGZIKPLDWQCFT-UHFFFAOYSA-N 0 0 408.520 5.696 50 0 HKAARN NC(=O)[C@H](OC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccccc1 ZINC000058785014 558930057 /nfs/dbraw/zinc/93/00/57/558930057.db2.gz AITBMTCRDKJIMZ-CQSZACIVSA-N 0 0 414.697 5.245 50 0 HKAARN Cc1c(C(=O)Nc2cccc(Cl)c2N(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000058909317 558930750 /nfs/dbraw/zinc/93/07/50/558930750.db2.gz FQDAOMHXWUVWOW-UHFFFAOYSA-N 0 0 422.838 5.171 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cn1 ZINC000058910561 568932816 /nfs/dbraw/zinc/93/28/16/568932816.db2.gz OGOUIBPOYFZROZ-UHFFFAOYSA-N 0 0 417.362 5.053 50 0 HKAARN CN(Cc1ccccc1F)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000058911417 558930759 /nfs/dbraw/zinc/93/07/59/558930759.db2.gz SAFATZRPKABJAC-UHFFFAOYSA-N 0 0 415.262 5.048 50 0 HKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000058924523 558930791 /nfs/dbraw/zinc/93/07/91/558930791.db2.gz GFMGYHIJZLHQKW-LEWJYISDSA-N 0 0 405.460 5.564 50 0 HKAARN Cc1ccc(-c2ccsc2C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 ZINC000058953530 558930977 /nfs/dbraw/zinc/93/09/77/558930977.db2.gz FCBDNOUQUXSFRT-UHFFFAOYSA-N 0 0 414.530 5.628 50 0 HKAARN COc1ccccc1Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 ZINC000058978834 558931278 /nfs/dbraw/zinc/93/12/78/558931278.db2.gz WMHKVKSXUQRHDV-UHFFFAOYSA-N 0 0 417.490 5.182 50 0 HKAARN COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000059056280 558931921 /nfs/dbraw/zinc/93/19/21/558931921.db2.gz OIPIZQZMALQEDJ-UHFFFAOYSA-N 0 0 420.852 5.599 50 0 HKAARN CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000059065274 560083176 /nfs/dbraw/zinc/08/31/76/560083176.db2.gz KZJWDPNRJALLNS-RMXUNSBXSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1C1CCCC1 ZINC000059094292 558931871 /nfs/dbraw/zinc/93/18/71/558931871.db2.gz JREFXVJSIIYIPB-UHFFFAOYSA-N 0 0 404.457 5.823 50 0 HKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)C(Cl)(Cl)Cl ZINC000059144047 558932224 /nfs/dbraw/zinc/93/22/24/558932224.db2.gz WVSNVHZFZRLGMZ-UHFFFAOYSA-N 0 0 424.498 6.110 50 0 HKAARN CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000059211649 569359098 /nfs/dbraw/zinc/35/90/98/569359098.db2.gz HCXVJBMSMIARIN-JLMXTUPWSA-N 0 0 412.702 7.801 50 0 HKAARN CCCCN(CC(F)(F)F)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000059252532 558932795 /nfs/dbraw/zinc/93/27/95/558932795.db2.gz URQZFSUPNGTNHN-UHFFFAOYSA-N 0 0 403.448 5.149 50 0 HKAARN CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000059252830 558932840 /nfs/dbraw/zinc/93/28/40/558932840.db2.gz OXGHCHOAHMAHQH-UHFFFAOYSA-N 0 0 418.463 5.402 50 0 HKAARN Cc1cc(Cc2cnc(NC(=O)c3ccc(Cl)nc3)s2)ccc1Br ZINC000059284351 568949767 /nfs/dbraw/zinc/94/97/67/568949767.db2.gz BCKXPBHBGFSXBD-UHFFFAOYSA-N 0 0 422.735 5.106 50 0 HKAARN CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000059288699 558933403 /nfs/dbraw/zinc/93/34/03/558933403.db2.gz PKPCUUWWDADJDP-UHFFFAOYSA-N 0 0 415.262 5.048 50 0 HKAARN CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059292192 558933617 /nfs/dbraw/zinc/93/36/17/558933617.db2.gz FMFJEAFOOKAWQL-RBUKOAKNSA-N 0 0 400.906 5.109 50 0 HKAARN CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059292193 558933581 /nfs/dbraw/zinc/93/35/81/558933581.db2.gz FMFJEAFOOKAWQL-RTBURBONSA-N 0 0 400.906 5.109 50 0 HKAARN CC[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059292194 558933514 /nfs/dbraw/zinc/93/35/14/558933514.db2.gz FMFJEAFOOKAWQL-OALUTQOASA-N 0 0 400.906 5.109 50 0 HKAARN CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059292196 558933504 /nfs/dbraw/zinc/93/35/04/558933504.db2.gz FMFJEAFOOKAWQL-MOPGFXCFSA-N 0 0 400.906 5.109 50 0 HKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000059312928 558933779 /nfs/dbraw/zinc/93/37/79/558933779.db2.gz MLHDOVIINSUILH-UHFFFAOYSA-N 0 0 421.294 5.747 50 0 HKAARN COc1cc([C@H](C)NC(=O)c2cc3ccccc3s2)ccc1OCc1ccncc1 ZINC000059316206 558934063 /nfs/dbraw/zinc/93/40/63/558934063.db2.gz PHTQBMFBBXAFMA-INIZCTEOSA-N 0 0 418.518 5.375 50 0 HKAARN COc1cc([C@@H](C)NC(=O)c2cc3ccccc3s2)ccc1OCc1ccncc1 ZINC000059316207 558934022 /nfs/dbraw/zinc/93/40/22/558934022.db2.gz PHTQBMFBBXAFMA-MRXNPFEDSA-N 0 0 418.518 5.375 50 0 HKAARN C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000059337690 558934230 /nfs/dbraw/zinc/93/42/30/558934230.db2.gz VITKJSFRTFDYFU-ZDUSSCGKSA-N 0 0 406.383 5.255 50 0 HKAARN C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000059337691 558934228 /nfs/dbraw/zinc/93/42/28/558934228.db2.gz VITKJSFRTFDYFU-CYBMUJFWSA-N 0 0 406.383 5.255 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 ZINC000059339183 558934224 /nfs/dbraw/zinc/93/42/24/558934224.db2.gz HCFJJQVWNBGSGQ-UHFFFAOYSA-N 0 0 417.553 5.472 50 0 HKAARN CC(C)N(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 ZINC000059339590 558934226 /nfs/dbraw/zinc/93/42/26/558934226.db2.gz OTTUKKCBHWDWTE-UHFFFAOYSA-N 0 0 406.486 5.190 50 0 HKAARN CC(C)N(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000059339804 558934423 /nfs/dbraw/zinc/93/44/23/558934423.db2.gz YAVWTRDLVSYRPC-UHFFFAOYSA-N 0 0 400.931 5.360 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000059360580 568951950 /nfs/dbraw/zinc/95/19/50/568951950.db2.gz OYYAXPPTKHOUKD-UHFFFAOYSA-N 0 0 424.819 5.277 50 0 HKAARN Cc1c(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000059361067 558934331 /nfs/dbraw/zinc/93/43/31/558934331.db2.gz ASEQRFCTZZBOFL-UHFFFAOYSA-N 0 0 422.838 5.171 50 0 HKAARN O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000059371607 568952352 /nfs/dbraw/zinc/95/23/52/568952352.db2.gz TWDKMWMRIFAHQE-HXUWFJFHSA-N 0 0 404.724 7.073 50 0 HKAARN O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000059371608 568952204 /nfs/dbraw/zinc/95/22/04/568952204.db2.gz TWDKMWMRIFAHQE-FQEVSTJZSA-N 0 0 404.724 7.073 50 0 HKAARN COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000059372158 568931244 /nfs/dbraw/zinc/93/12/44/568931244.db2.gz WLLGRZBTZJIFRK-PXNMLYILSA-N 0 0 409.294 5.108 50 0 HKAARN COc1cccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000059378282 568952345 /nfs/dbraw/zinc/95/23/45/568952345.db2.gz FGEYPGPKCLTPPC-LZYBPNLTSA-N 0 0 409.294 5.108 50 0 HKAARN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000059382076 568952445 /nfs/dbraw/zinc/95/24/45/568952445.db2.gz DVNOZHJYOWURLQ-BVXNIFABSA-N 0 0 421.540 5.882 50 0 HKAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000059438202 569359076 /nfs/dbraw/zinc/35/90/76/569359076.db2.gz KNAYRYGUCNEYJM-UHFFFAOYSA-N 0 0 424.136 5.436 50 0 HKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)cc2cccnc21 ZINC000059743514 558938625 /nfs/dbraw/zinc/93/86/25/558938625.db2.gz YIMGFLCXAMLNBE-UHFFFAOYSA-N 0 0 405.910 5.828 50 0 HKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1Cl ZINC000059748533 558938878 /nfs/dbraw/zinc/93/88/78/558938878.db2.gz BIGAKRFAJBREOP-UHFFFAOYSA-N 0 0 416.308 5.276 50 0 HKAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000059781999 558939006 /nfs/dbraw/zinc/93/90/06/558939006.db2.gz UOBJABFYUYQOQN-UHFFFAOYSA-N 0 0 424.416 5.833 50 0 HKAARN CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1 ZINC000059796837 558939255 /nfs/dbraw/zinc/93/92/55/558939255.db2.gz LUCHFKBTWHPREI-UHFFFAOYSA-N 0 0 402.666 9.501 50 0 HKAARN O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000059835301 558589355 /nfs/dbraw/zinc/58/93/55/558589355.db2.gz GPUSFVVGYZBTRC-LTGZKZEYSA-N 0 0 415.452 5.032 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccnc4)c3C)sc2C)cc1 ZINC000059853601 558939618 /nfs/dbraw/zinc/93/96/18/558939618.db2.gz NBTBBUIQAQIUDD-UHFFFAOYSA-N 0 0 418.522 5.182 50 0 HKAARN COc1ccc2cc([C@H](C)C(=O)NCc3nc(-c4ccccc4)cs3)ccc2c1 ZINC000059876871 558939734 /nfs/dbraw/zinc/93/97/34/558939734.db2.gz OKYXKEPBYPSFNC-INIZCTEOSA-N 0 0 402.519 5.392 50 0 HKAARN Cc1c(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)sc2nc(C)nc(C)c12 ZINC000059897201 558939914 /nfs/dbraw/zinc/93/99/14/558939914.db2.gz ZXEWKPPCTQDQBS-UHFFFAOYSA-N 0 0 421.444 5.108 50 0 HKAARN C=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000059936051 558728473 /nfs/dbraw/zinc/72/84/73/558728473.db2.gz YKVWOQIPFYBGQG-UHFFFAOYSA-N 0 0 419.550 5.162 50 0 HKAARN C=CC(=O)NCc1ccc(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 ZINC000059936171 558728454 /nfs/dbraw/zinc/72/84/54/558728454.db2.gz SZUBAXYJXWXPTB-UHFFFAOYSA-N 0 0 416.546 5.509 50 0 HKAARN CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(Br)cc21 ZINC000060011180 569284875 /nfs/dbraw/zinc/28/48/75/569284875.db2.gz NNYSRQDAPSNOKV-UHFFFAOYSA-N 0 0 413.443 8.656 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000060015128 558940325 /nfs/dbraw/zinc/94/03/25/558940325.db2.gz DLGMHVHRXFCFJT-QGZVFWFLSA-N 0 0 404.272 5.044 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000060015129 558940286 /nfs/dbraw/zinc/94/02/86/558940286.db2.gz DLGMHVHRXFCFJT-KRWDZBQOSA-N 0 0 404.272 5.044 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000060015516 558940251 /nfs/dbraw/zinc/94/02/51/558940251.db2.gz YHCHBMCCGYVYSU-JTQLQIEISA-N 0 0 410.251 5.257 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000060015517 558940333 /nfs/dbraw/zinc/94/03/33/558940333.db2.gz YHCHBMCCGYVYSU-SNVBAGLBSA-N 0 0 410.251 5.257 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000060016699 558940278 /nfs/dbraw/zinc/94/02/78/558940278.db2.gz CXKNWFITEVJOBK-UHFFFAOYSA-N 0 0 417.340 5.173 50 0 HKAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)cc1 ZINC000060033213 558940504 /nfs/dbraw/zinc/94/05/04/558940504.db2.gz NNSPWPRQXZWFBM-OREJSRFESA-N 0 0 424.953 5.515 50 0 HKAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)cc1 ZINC000060033216 558940531 /nfs/dbraw/zinc/94/05/31/558940531.db2.gz NNSPWPRQXZWFBM-IFZYUDKTSA-N 0 0 424.953 5.515 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCc1ccc(Cl)c(Cl)c1 ZINC000060034735 559053133 /nfs/dbraw/zinc/05/31/33/559053133.db2.gz FJYAPVGIDHQZGJ-UHFFFAOYSA-N 0 0 422.743 5.504 50 0 HKAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000060037637 558940513 /nfs/dbraw/zinc/94/05/13/558940513.db2.gz AMYBOFVACFXMGZ-AWEZNQCLSA-N 0 0 401.482 5.659 50 0 HKAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000060037640 558940530 /nfs/dbraw/zinc/94/05/30/558940530.db2.gz AMYBOFVACFXMGZ-CQSZACIVSA-N 0 0 401.482 5.659 50 0 HKAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000060037643 558663717 /nfs/dbraw/zinc/66/37/17/558663717.db2.gz IJENAHQDUBLAJB-AWEZNQCLSA-N 0 0 419.472 5.956 50 0 HKAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000060037645 558663679 /nfs/dbraw/zinc/66/36/79/558663679.db2.gz IJENAHQDUBLAJB-CQSZACIVSA-N 0 0 419.472 5.956 50 0 HKAARN Clc1cccc(-n2cnnc2SCc2ccc(OCc3ccccn3)cc2)c1 ZINC000060059186 558940514 /nfs/dbraw/zinc/94/05/14/558940514.db2.gz KWJIXWMXBHTGMA-UHFFFAOYSA-N 0 0 408.914 5.187 50 0 HKAARN Cc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1Oc1cccnc1 ZINC000060063964 558940833 /nfs/dbraw/zinc/94/08/33/558940833.db2.gz VAKCZGULGXKBJQ-UHFFFAOYSA-N 0 0 405.401 5.442 50 0 HKAARN C[C@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000060064407 558940726 /nfs/dbraw/zinc/94/07/26/558940726.db2.gz OLJQVGSLXRROEP-LBPRGKRZSA-N 0 0 418.818 5.323 50 0 HKAARN C[C@@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000060064408 558940837 /nfs/dbraw/zinc/94/08/37/558940837.db2.gz OLJQVGSLXRROEP-GFCCVEGCSA-N 0 0 418.818 5.323 50 0 HKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Cl)nc1Cl ZINC000060098809 559053256 /nfs/dbraw/zinc/05/32/56/559053256.db2.gz RCIAKSIWVGVFLO-UHFFFAOYSA-N 0 0 418.227 5.783 50 0 HKAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sc2cccc(F)c2c1C ZINC000060102312 558940998 /nfs/dbraw/zinc/94/09/98/558940998.db2.gz CCJMKVBIFHXEAF-UHFFFAOYSA-N 0 0 410.392 5.578 50 0 HKAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000060102361 558941055 /nfs/dbraw/zinc/94/10/55/558941055.db2.gz RNCJNSHQFJPLOM-UHFFFAOYSA-N 0 0 405.203 5.152 50 0 HKAARN CCCS(=O)(=O)Nc1cccc(NC(=O)c2oc3c(c2C)c(C)ccc3C)c1C ZINC000060102646 558739810 /nfs/dbraw/zinc/73/98/10/558739810.db2.gz DAJGDBSLRNAKRT-UHFFFAOYSA-N 0 0 414.527 5.070 50 0 HKAARN CCCS(=O)(=O)Nc1cccc(NC(=O)c2sc3ccc(F)cc3c2C)c1C ZINC000060102655 558940994 /nfs/dbraw/zinc/94/09/94/558940994.db2.gz PLLVGALNADZURU-UHFFFAOYSA-N 0 0 420.531 5.061 50 0 HKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000060106291 558941008 /nfs/dbraw/zinc/94/10/08/558941008.db2.gz UAURXPDTLYUXSM-UHFFFAOYSA-N 0 0 409.489 5.615 50 0 HKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000060106395 558941077 /nfs/dbraw/zinc/94/10/77/558941077.db2.gz LKHHVCLSAAVCEA-QGZVFWFLSA-N 0 0 405.498 5.281 50 0 HKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000060106396 558941024 /nfs/dbraw/zinc/94/10/24/558941024.db2.gz LKHHVCLSAAVCEA-KRWDZBQOSA-N 0 0 405.498 5.281 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000060106485 558941079 /nfs/dbraw/zinc/94/10/79/558941079.db2.gz JYAIAIMTXCPIAQ-MRXNPFEDSA-N 0 0 424.957 5.136 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)[C@H]1CCCN(c2cnccn2)C1 ZINC000060106487 558941006 /nfs/dbraw/zinc/94/10/06/558941006.db2.gz JYAIAIMTXCPIAQ-INIZCTEOSA-N 0 0 424.957 5.136 50 0 HKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000060111403 558941277 /nfs/dbraw/zinc/94/12/77/558941277.db2.gz LEAKWPQWAMEXHG-UHFFFAOYSA-N 0 0 408.716 5.113 50 0 HKAARN Cc1ccccc1-c1cc(C(=O)Nc2cccc(F)c2F)c2cnn(C(C)C)c2n1 ZINC000060139546 558941252 /nfs/dbraw/zinc/94/12/52/558941252.db2.gz INYPINFXFQECMA-UHFFFAOYSA-N 0 0 406.436 5.518 50 0 HKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1 ZINC000060163246 558941485 /nfs/dbraw/zinc/94/14/85/558941485.db2.gz BCAIALYHWVUEBT-UHFFFAOYSA-N 0 0 420.852 5.641 50 0 HKAARN C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000060168521 558941529 /nfs/dbraw/zinc/94/15/29/558941529.db2.gz NCMLPWYLZXCKJP-AWEZNQCLSA-N 0 0 416.308 5.407 50 0 HKAARN C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000060168523 558941567 /nfs/dbraw/zinc/94/15/67/558941567.db2.gz NCMLPWYLZXCKJP-CQSZACIVSA-N 0 0 416.308 5.407 50 0 HKAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000060203802 558452308 /nfs/dbraw/zinc/45/23/08/558452308.db2.gz BMDVZURPSASWTO-UHFFFAOYSA-N 0 0 407.539 5.126 50 0 HKAARN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc(Cl)sc1Cl ZINC000060239395 558782478 /nfs/dbraw/zinc/78/24/78/558782478.db2.gz ICICVUPVBYMISU-UHFFFAOYSA-N 0 0 416.333 5.383 50 0 HKAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000060248427 558793147 /nfs/dbraw/zinc/79/31/47/558793147.db2.gz MSSOKUVHAJOXSH-UHFFFAOYSA-N 0 0 410.514 5.501 50 0 HKAARN CC[C@@H](C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@]2(C)CC1 ZINC000060272664 569359079 /nfs/dbraw/zinc/35/90/79/569359079.db2.gz YURIAGLGTNUPAE-PGVSLFDPSA-N 0 0 424.757 9.588 50 0 HKAARN Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)c2)n1 ZINC000060300998 558821176 /nfs/dbraw/zinc/82/11/76/558821176.db2.gz GDTLDDIHPBHNJZ-UHFFFAOYSA-N 0 0 407.562 5.050 50 0 HKAARN CC[C@@H](C)Sc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000060306311 558829226 /nfs/dbraw/zinc/82/92/26/558829226.db2.gz DGCZRGONMPISTH-CQSZACIVSA-N 0 0 419.472 6.034 50 0 HKAARN CC[C@H](C)Sc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000060306315 558829287 /nfs/dbraw/zinc/82/92/87/558829287.db2.gz DGCZRGONMPISTH-AWEZNQCLSA-N 0 0 419.472 6.034 50 0 HKAARN COc1ccc(N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)[C@@H](C)C2CC2)cc1 ZINC000060306821 558829403 /nfs/dbraw/zinc/82/94/03/558829403.db2.gz MHFQXYGAZVHHDX-IBGZPJMESA-N 0 0 403.526 5.002 50 0 HKAARN COc1ccc(N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)[C@H](C)C2CC2)cc1 ZINC000060306823 558829352 /nfs/dbraw/zinc/82/93/52/558829352.db2.gz MHFQXYGAZVHHDX-LJQANCHMSA-N 0 0 403.526 5.002 50 0 HKAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1nccc2ccccc21 ZINC000060322141 558836357 /nfs/dbraw/zinc/83/63/57/558836357.db2.gz SNZZRCWWTGJKCM-UHFFFAOYSA-N 0 0 415.320 5.020 50 0 HKAARN Cc1cnn(CCCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000060329830 558837059 /nfs/dbraw/zinc/83/70/59/558837059.db2.gz KWBAXDKRUZHLDL-UHFFFAOYSA-N 0 0 402.734 5.187 50 0 HKAARN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000060331080 558847933 /nfs/dbraw/zinc/84/79/33/558847933.db2.gz LHMFXCMMRRYNKX-HXUWFJFHSA-N 0 0 413.443 5.317 50 0 HKAARN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000060331081 558847926 /nfs/dbraw/zinc/84/79/26/558847926.db2.gz LHMFXCMMRRYNKX-FQEVSTJZSA-N 0 0 413.443 5.317 50 0 HKAARN COc1cccc(-c2nc(CNc3cc(OC)ccc3Br)cs2)c1 ZINC000060336720 558851712 /nfs/dbraw/zinc/85/17/12/558851712.db2.gz SWDLLSHHIQTPCR-UHFFFAOYSA-N 0 0 405.317 5.202 50 0 HKAARN Cc1cccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)cc2)c1 ZINC000060337059 558851701 /nfs/dbraw/zinc/85/17/01/558851701.db2.gz KAXOLHAJRXBRGS-UHFFFAOYSA-N 0 0 403.404 5.836 50 0 HKAARN CC(C)n1ncc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1C(F)(F)F ZINC000060337116 558851706 /nfs/dbraw/zinc/85/17/06/558851706.db2.gz MMWNDYPYNQEEMF-UHFFFAOYSA-N 0 0 421.394 5.344 50 0 HKAARN Cc1ccc(-n2ncc(C(=O)NCC(C)(C)c3ccccc3F)c2C(F)(F)F)cc1 ZINC000060338216 558851911 /nfs/dbraw/zinc/85/19/11/558851911.db2.gz IEUKFHBCQSWPEP-UHFFFAOYSA-N 0 0 419.422 5.046 50 0 HKAARN Cc1ccccc1-n1ncc(C(=O)NCC(C)(C)c2ccccc2F)c1C(F)(F)F ZINC000060338223 558852013 /nfs/dbraw/zinc/85/20/13/558852013.db2.gz NKHHTHLGVXUDFQ-UHFFFAOYSA-N 0 0 419.422 5.046 50 0 HKAARN CN(Cc1ccc(Br)s1)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000060339321 558852005 /nfs/dbraw/zinc/85/20/05/558852005.db2.gz NFJIOVPOJLDUCY-UHFFFAOYSA-N 0 0 423.376 5.174 50 0 HKAARN O=C(c1csc(-c2ccccc2F)n1)N1CCC(Nc2ccccc2Cl)CC1 ZINC000060339577 558852347 /nfs/dbraw/zinc/85/23/47/558852347.db2.gz HEHDNOQXZVREOG-UHFFFAOYSA-N 0 0 415.921 5.319 50 0 HKAARN O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000060341115 558856678 /nfs/dbraw/zinc/85/66/78/558856678.db2.gz FSZJUYACONTHLW-UHFFFAOYSA-N 0 0 409.445 5.379 50 0 HKAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000060350771 558860632 /nfs/dbraw/zinc/86/06/32/558860632.db2.gz XAIRZGLBDXLREP-UHFFFAOYSA-N 0 0 417.865 5.438 50 0 HKAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000060351808 558866164 /nfs/dbraw/zinc/86/61/64/558866164.db2.gz OOSVGBILFLBFGQ-UHFFFAOYSA-N 0 0 415.465 5.224 50 0 HKAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000060352977 558866535 /nfs/dbraw/zinc/86/65/35/558866535.db2.gz IVNZYHNXPMELTR-QHCPKHFHSA-N 0 0 412.493 5.221 50 0 HKAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000060352978 558866966 /nfs/dbraw/zinc/86/69/66/558866966.db2.gz IVNZYHNXPMELTR-HSZRJFAPSA-N 0 0 412.493 5.221 50 0 HKAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1OCc1ccc(Cl)cc1 ZINC000060362228 558888271 /nfs/dbraw/zinc/88/82/71/558888271.db2.gz BRBOZGLLKPIGEG-UHFFFAOYSA-N 0 0 412.898 5.147 50 0 HKAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000060362230 558888160 /nfs/dbraw/zinc/88/81/60/558888160.db2.gz AGMXWMBAAKLCOA-UHFFFAOYSA-N 0 0 416.424 5.600 50 0 HKAARN O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000060376860 558942342 /nfs/dbraw/zinc/94/23/42/558942342.db2.gz ZCZAYOPHYFUPQS-UHFFFAOYSA-N 0 0 415.518 5.360 50 0 HKAARN CCc1cc2c(CSc3nnc(C[C@@H](C)c4ccccc4)o3)cc(=O)oc2cc1O ZINC000060385776 558954439 /nfs/dbraw/zinc/95/44/39/558954439.db2.gz AEXNVHUCXQVFQW-CQSZACIVSA-N 0 0 422.506 5.083 50 0 HKAARN CCc1cc2c(CSc3nnc(C[C@H](C)c4ccccc4)o3)cc(=O)oc2cc1O ZINC000060385777 558954429 /nfs/dbraw/zinc/95/44/29/558954429.db2.gz AEXNVHUCXQVFQW-AWEZNQCLSA-N 0 0 422.506 5.083 50 0 HKAARN O=C(c1cnc(N[C@@H]2CCSc3c(F)cccc32)c(Cl)c1)N1CCCCC1 ZINC000060446446 558876256 /nfs/dbraw/zinc/87/62/56/558876256.db2.gz BUKYQSWAYRPYAL-QGZVFWFLSA-N 0 0 405.926 5.149 50 0 HKAARN Cc1cc2nnc(SC[C@H](O)c3ccccc3C(F)(F)F)n2c2ccccc12 ZINC000060522686 558905165 /nfs/dbraw/zinc/90/51/65/558905165.db2.gz QMWOPEYIOWUJKQ-KRWDZBQOSA-N 0 0 403.429 5.035 50 0 HKAARN Cc1csc(N(CC(F)(F)F)C(=O)c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000060543428 558908071 /nfs/dbraw/zinc/90/80/71/558908071.db2.gz BNEWDOJSPUFCGV-UHFFFAOYSA-N 0 0 410.442 5.282 50 0 HKAARN CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1c(F)cccc1F ZINC000060543889 558908134 /nfs/dbraw/zinc/90/81/34/558908134.db2.gz HONZHWOCVQUPRM-UHFFFAOYSA-N 0 0 422.225 5.176 50 0 HKAARN O=[S@](CCSc1ncnc2scc(-c3ccc(F)cc3)c21)c1ccccc1 ZINC000060709848 559053907 /nfs/dbraw/zinc/05/39/07/559053907.db2.gz LFEZDMXFRDBJBK-MHZLTWQESA-N 0 0 414.552 5.397 50 0 HKAARN C[C@H]1CCN(C(=O)c2cnc3ccccc3n2)c2cc(C(F)(F)F)ccc2S1 ZINC000060774176 559065201 /nfs/dbraw/zinc/06/52/01/559065201.db2.gz PZUZTCOERUUTPY-LBPRGKRZSA-N 0 0 403.429 5.180 50 0 HKAARN O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000060934865 559191461 /nfs/dbraw/zinc/19/14/61/559191461.db2.gz IKRBOBGTWUKVLK-INIZCTEOSA-N 0 0 405.445 5.091 50 0 HKAARN Cc1cc(C(=O)Nc2cc(C)c(NC(=O)c3cc(C)sc3C)cc2C)c(C)s1 ZINC000060957489 559193788 /nfs/dbraw/zinc/19/37/88/559193788.db2.gz XTCMKUNJCCVFAB-UHFFFAOYSA-N 0 0 412.580 6.165 50 0 HKAARN O=c1[nH]c(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2c3ccccc3oc21 ZINC000061132656 559217139 /nfs/dbraw/zinc/21/71/39/559217139.db2.gz RAMFKTOOAMUNFA-UHFFFAOYSA-N 0 0 410.804 6.046 50 0 HKAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)cc2)n1 ZINC000061188283 559223224 /nfs/dbraw/zinc/22/32/24/559223224.db2.gz CRGWFZITABUBKJ-UHFFFAOYSA-N 0 0 417.459 5.746 50 0 HKAARN C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)CCO2 ZINC000061252906 559227424 /nfs/dbraw/zinc/22/74/24/559227424.db2.gz QNLOKSBMUVXWCJ-ZETCQYMHSA-N 0 0 406.096 5.121 50 0 HKAARN O=C(OCc1csc(-c2ccsc2)n1)c1cccnc1Nc1cccc(F)c1 ZINC000061563499 559251552 /nfs/dbraw/zinc/25/15/52/559251552.db2.gz OFPVZTBOIBHACM-UHFFFAOYSA-N 0 0 411.483 5.506 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(-c4cccs4)cs3)c12 ZINC000061717950 559292732 /nfs/dbraw/zinc/29/27/32/559292732.db2.gz PCTWSRNSNWLKQW-UHFFFAOYSA-N 0 0 418.503 5.636 50 0 HKAARN O=C(Nc1nnc(C2CCC2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000061717956 559292736 /nfs/dbraw/zinc/29/27/36/559292736.db2.gz FZLDRCHMVVGKBA-UHFFFAOYSA-N 0 0 404.470 5.412 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3nnc(C4CCC4)s3)c3ccccc3n2)cc1 ZINC000061719866 560536175 /nfs/dbraw/zinc/53/61/75/560536175.db2.gz IEQRECITIWYZNM-UHFFFAOYSA-N 0 0 416.506 5.282 50 0 HKAARN CCOc1cc([C@H]2SCC(=O)Nc3c2cnn3C)ccc1OCc1ccccc1C ZINC000061719890 560536220 /nfs/dbraw/zinc/53/62/20/560536220.db2.gz VPMTXTZFJRPEFA-JOCHJYFZSA-N 0 0 423.538 5.130 50 0 HKAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2cnn3C)ccc1OCc1ccccc1C ZINC000061719891 560536348 /nfs/dbraw/zinc/53/63/48/560536348.db2.gz VPMTXTZFJRPEFA-QFIPXVFZSA-N 0 0 423.538 5.130 50 0 HKAARN Brc1ccccc1-c1nnc(CN2CCCSc3ccccc32)o1 ZINC000061782783 560548255 /nfs/dbraw/zinc/54/82/55/560548255.db2.gz SQIJMKHLWYVWET-UHFFFAOYSA-N 0 0 402.317 5.002 50 0 HKAARN Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl ZINC000061945372 558947353 /nfs/dbraw/zinc/94/73/53/558947353.db2.gz QDXGAJIGONMOCL-UHFFFAOYSA-N 0 0 417.321 5.581 50 0 HKAARN O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000061967342 560563838 /nfs/dbraw/zinc/56/38/38/560563838.db2.gz OBUVTNQJQQKNLM-UHFFFAOYSA-N 0 0 417.248 5.204 50 0 HKAARN C[S@](=O)c1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 ZINC000061967665 560563831 /nfs/dbraw/zinc/56/38/31/560563831.db2.gz ORVNCGHKMPOUCN-HHHXNRCGSA-N 0 0 421.305 5.170 50 0 HKAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000061972688 560564292 /nfs/dbraw/zinc/56/42/92/560564292.db2.gz PZQUNSMLQXFLQX-UHFFFAOYSA-N 0 0 424.953 5.618 50 0 HKAARN O=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2cccs2)CCCC1 ZINC000061973961 560564277 /nfs/dbraw/zinc/56/42/77/560564277.db2.gz QDWRSYXQEBQVJY-UHFFFAOYSA-N 0 0 423.416 5.147 50 0 HKAARN O=C(COc1ccc(Cl)cc1Cl)N(CCc1ccccc1)Cc1ccccn1 ZINC000061974317 560564389 /nfs/dbraw/zinc/56/43/89/560564389.db2.gz PVPHANWCOQQSTF-UHFFFAOYSA-N 0 0 415.320 5.039 50 0 HKAARN CCCCOc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 ZINC000061974443 560564440 /nfs/dbraw/zinc/56/44/40/560564440.db2.gz ZVUJAHBIDZKNOK-UHFFFAOYSA-N 0 0 403.526 5.537 50 0 HKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(C(=O)OCC(C)C)c3)c2c1 ZINC000061997081 560564779 /nfs/dbraw/zinc/56/47/79/560564779.db2.gz GXWPBGBEDDWIEI-UHFFFAOYSA-N 0 0 423.509 5.985 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3c(Cl)cccc3Cl)no2)cc1 ZINC000061997096 560564819 /nfs/dbraw/zinc/56/48/19/560564819.db2.gz YGQNNOIDUAHEOA-UHFFFAOYSA-N 0 0 405.281 6.080 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)no2)cc1 ZINC000061997098 560564772 /nfs/dbraw/zinc/56/47/72/560564772.db2.gz WKPSWYXJBYTKNL-UHFFFAOYSA-N 0 0 400.862 5.435 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)no2)cc1 ZINC000061997101 560564823 /nfs/dbraw/zinc/56/48/23/560564823.db2.gz FPXVNDUMOOBNQV-UHFFFAOYSA-N 0 0 400.862 5.435 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 ZINC000061997105 560564817 /nfs/dbraw/zinc/56/48/17/560564817.db2.gz FOJVRUMEJFDICQ-UHFFFAOYSA-N 0 0 404.388 5.792 50 0 HKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3nc4c(cc(C)cc4C)s3)c2c1 ZINC000061997186 560564808 /nfs/dbraw/zinc/56/48/08/560564808.db2.gz SXGUWCMULJOWJA-UHFFFAOYSA-N 0 0 408.523 6.399 50 0 HKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3nnc(SCCCC)s3)c2c1 ZINC000061997190 560564841 /nfs/dbraw/zinc/56/48/41/560564841.db2.gz MXYXPZWNXVJAAN-UHFFFAOYSA-N 0 0 419.572 5.916 50 0 HKAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccsc1 ZINC000061997211 560564988 /nfs/dbraw/zinc/56/49/88/560564988.db2.gz XYGJYAIXQOPLBU-UHFFFAOYSA-N 0 0 402.353 5.451 50 0 HKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccsc2)cc1Cl ZINC000061997218 560565001 /nfs/dbraw/zinc/56/50/01/560565001.db2.gz OCFKRBTTYSVHDP-UHFFFAOYSA-N 0 0 411.866 5.640 50 0 HKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3C)on1)CCCC2 ZINC000061997334 560564949 /nfs/dbraw/zinc/56/49/49/560564949.db2.gz TVKZCLGVMLYKEX-UHFFFAOYSA-N 0 0 410.495 5.019 50 0 HKAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC(C)CC3)n2)c1 ZINC000061997341 560564982 /nfs/dbraw/zinc/56/49/82/560564982.db2.gz PWQVJOWVYHLDBT-UHFFFAOYSA-N 0 0 400.482 5.197 50 0 HKAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[C@@H](C)C3)n2)c1 ZINC000061997343 560564945 /nfs/dbraw/zinc/56/49/45/560564945.db2.gz ARKJICINQOKHCM-MRXNPFEDSA-N 0 0 400.482 5.197 50 0 HKAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[C@H](C)C3)n2)c1 ZINC000061997344 560564999 /nfs/dbraw/zinc/56/49/99/560564999.db2.gz ARKJICINQOKHCM-INIZCTEOSA-N 0 0 400.482 5.197 50 0 HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccccc1F)CO2 ZINC000061997629 560565086 /nfs/dbraw/zinc/56/50/86/560565086.db2.gz ZGHDWEZYKOIUFR-UHFFFAOYSA-N 0 0 401.437 5.260 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)c(Cl)c1)CO3 ZINC000061997674 560565057 /nfs/dbraw/zinc/56/50/57/560565057.db2.gz KDLKMAHOATWMAQ-UHFFFAOYSA-N 0 0 404.293 5.377 50 0 biogenic HKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1cccc(Cl)c1)CO2 ZINC000061997679 560565113 /nfs/dbraw/zinc/56/51/13/560565113.db2.gz MCUDOHFEKLJKMQ-UHFFFAOYSA-N 0 0 417.892 5.774 50 0 biogenic HKAARN COc1ccccc1CN1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000061997694 560565100 /nfs/dbraw/zinc/56/51/00/560565100.db2.gz HSQFMDKMUROZTC-UHFFFAOYSA-N 0 0 413.473 5.129 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(C(F)(F)F)c1)CO3 ZINC000061997697 560565175 /nfs/dbraw/zinc/56/51/75/560565175.db2.gz NSXWXDZABNOMJJ-UHFFFAOYSA-N 0 0 403.400 5.089 50 0 biogenic HKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)cc1Cl)CO3 ZINC000061997727 560565195 /nfs/dbraw/zinc/56/51/95/560565195.db2.gz ZMHVTHBHCNCGGC-UHFFFAOYSA-N 0 0 404.293 5.377 50 0 biogenic HKAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccccc1F)CO3 ZINC000061997737 560565211 /nfs/dbraw/zinc/56/52/11/560565211.db2.gz BAXKPLWAUGXSTA-UHFFFAOYSA-N 0 0 415.464 5.183 50 0 biogenic HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC(C)C)c(=O)oc3c2C)c1-c1ccccc1 ZINC000062001301 560565821 /nfs/dbraw/zinc/56/58/21/560565821.db2.gz CYIFHSHSAYGXKR-UHFFFAOYSA-N 0 0 417.505 5.589 50 0 biogenic HKAARN O=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C1(c2cccs2)CCCC1 ZINC000062130131 560580368 /nfs/dbraw/zinc/58/03/68/560580368.db2.gz VGDWBYKMLBJKEP-UHFFFAOYSA-N 0 0 419.594 5.362 50 0 HKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062130215 560580402 /nfs/dbraw/zinc/58/04/02/560580402.db2.gz ZXYWYKBZNGXPBH-UHFFFAOYSA-N 0 0 413.443 5.121 50 0 HKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062130216 560580499 /nfs/dbraw/zinc/58/04/99/560580499.db2.gz VPPQVODYOVYLCT-UHFFFAOYSA-N 0 0 413.443 5.121 50 0 HKAARN CN(Cc1ccccc1NC(=O)c1cc(Cl)sc1Cl)C(=O)OC(C)(C)C ZINC000062233951 560587616 /nfs/dbraw/zinc/58/76/16/560587616.db2.gz RNDCQLDPXOYXQH-UHFFFAOYSA-N 0 0 415.342 5.674 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(=S)[nH]nc1-c1cccs1 ZINC000062580244 560631392 /nfs/dbraw/zinc/63/13/92/560631392.db2.gz AYPDBPAAJWQRBS-ZDUSSCGKSA-N 0 0 414.556 5.190 50 0 HKAARN C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(=S)[nH]nc1-c1cccs1 ZINC000062580245 560631382 /nfs/dbraw/zinc/63/13/82/560631382.db2.gz AYPDBPAAJWQRBS-CYBMUJFWSA-N 0 0 414.556 5.190 50 0 HKAARN CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1cccc(C)c1 ZINC000062580639 560631480 /nfs/dbraw/zinc/63/14/80/560631480.db2.gz VAFDRPUWVNOGJQ-UHFFFAOYSA-N 0 0 406.486 5.110 50 0 HKAARN Cc1c(C(=O)N(CCc2ccccc2)c2ccccc2)sc2nc(C)nc(C)c12 ZINC000062580762 560631595 /nfs/dbraw/zinc/63/15/95/560631595.db2.gz ZUWCEFKIYLJCSE-UHFFFAOYSA-N 0 0 401.535 5.506 50 0 HKAARN CCc1c(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n[nH]c1-c1ccncc1 ZINC000062580768 560631622 /nfs/dbraw/zinc/63/16/22/560631622.db2.gz ANXMHSNTQRFWRC-UHFFFAOYSA-N 0 0 415.478 5.156 50 0 HKAARN COc1ccc(-c2nn(CN(C3CC3)[C@@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581082 560631618 /nfs/dbraw/zinc/63/16/18/560631618.db2.gz OPZVJZACBPMJSH-JOCHJYFZSA-N 0 0 420.582 5.126 50 0 HKAARN COc1ccc(-c2nn(CN(C3CC3)[C@H]3CCCc4ccccc43)c(=S)n2C)cc1 ZINC000062581085 560631615 /nfs/dbraw/zinc/63/16/15/560631615.db2.gz OPZVJZACBPMJSH-QFIPXVFZSA-N 0 0 420.582 5.126 50 0 HKAARN CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1-c1ccccc1 ZINC000062582633 560632276 /nfs/dbraw/zinc/63/22/76/560632276.db2.gz PHIHSRUZFMBONK-UHFFFAOYSA-N 0 0 400.453 5.743 50 0 HKAARN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ncccc1OCC1CCCCC1 ZINC000062587222 560632244 /nfs/dbraw/zinc/63/22/44/560632244.db2.gz URXGIELKXSYPTA-UHFFFAOYSA-N 0 0 420.513 5.052 50 0 HKAARN Cc1csc(Sc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)n1 ZINC000063162627 568825859 /nfs/dbraw/zinc/82/58/59/568825859.db2.gz ODCBSMQSEYBQAM-IBGZPJMESA-N 0 0 413.543 6.111 50 0 HKAARN O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000063268720 568829056 /nfs/dbraw/zinc/82/90/56/568829056.db2.gz HNEXVRAELAHRRQ-UHFFFAOYSA-N 0 0 408.548 5.995 50 0 HKAARN Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3csc(C4CC4)n3)s2)cc1 ZINC000063278306 568829197 /nfs/dbraw/zinc/82/91/97/568829197.db2.gz BTIRPPMXIKWBTA-ZSOIEALJSA-N 0 0 402.932 5.170 50 0 HKAARN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(c2ccc(F)cc2)CCC1 ZINC000063338789 568831171 /nfs/dbraw/zinc/83/11/71/568831171.db2.gz LKHQYPMGJJRVMR-UHFFFAOYSA-N 0 0 406.935 5.402 50 0 HKAARN CC(C)(C)c1cc(Br)c(I)c(Br)c1 ZINC000063339626 558958500 /nfs/dbraw/zinc/95/85/00/558958500.db2.gz CYKKRWMEGQTKIG-UHFFFAOYSA-N 0 0 417.910 5.114 50 0 HKAARN Cc1cc(-c2ccc(Br)cc2)c(C)cc1-c1ccc(Br)cc1 ZINC000063363118 558958513 /nfs/dbraw/zinc/95/85/13/558958513.db2.gz DLTBZPUNQPKBQY-UHFFFAOYSA-N 0 0 416.156 7.162 50 0 HKAARN Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)oc1C ZINC000063413993 568834143 /nfs/dbraw/zinc/83/41/43/568834143.db2.gz HKPXZXVTIVLVNE-UHFFFAOYSA-N 0 0 415.877 5.075 50 0 HKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)NC2CCCCCCC2)s1 ZINC000063451226 568834747 /nfs/dbraw/zinc/83/47/47/568834747.db2.gz CWWYKUDFEJBVCC-UHFFFAOYSA-N 0 0 415.584 5.728 50 0 HKAARN CCc1nc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cs1 ZINC000063499939 568835446 /nfs/dbraw/zinc/83/54/46/568835446.db2.gz GPYNIKKFOBJMHH-GOSISDBHSA-N 0 0 403.429 5.495 50 0 HKAARN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063583833 568991597 /nfs/dbraw/zinc/99/15/97/568991597.db2.gz YKTPJHRFAJBECD-UHFFFAOYSA-N 0 0 403.910 5.252 50 0 HKAARN CC(=O)N1CCc2cc(-c3nc(-c4cccc(C(F)(F)F)c4)sc3C)ccc21 ZINC000063630860 568995109 /nfs/dbraw/zinc/99/51/09/568995109.db2.gz FVHSLKPQTPBOHY-UHFFFAOYSA-N 0 0 402.441 5.713 50 0 HKAARN O=C(Nc1cc(Cl)ccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000063803274 569016793 /nfs/dbraw/zinc/01/67/93/569016793.db2.gz JAMNGMOUHWGPMD-UHFFFAOYSA-N 0 0 409.898 5.238 50 0 HKAARN O=c1[nH]c(-c2ccnc(Cl)c2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 ZINC000063837470 569030421 /nfs/dbraw/zinc/03/04/21/569030421.db2.gz HGVXPDPQQIWCTK-UHFFFAOYSA-N 0 0 401.775 5.324 50 0 HKAARN COc1cc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c(OC)cc1Cl ZINC000063898534 569033551 /nfs/dbraw/zinc/03/35/51/569033551.db2.gz ZIDHGQZHEPMDMV-UHFFFAOYSA-N 0 0 422.912 5.172 50 0 HKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063957286 569035413 /nfs/dbraw/zinc/03/54/13/569035413.db2.gz KMCXOYNFMFFDDV-UHFFFAOYSA-N 0 0 418.950 5.118 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063957361 569035507 /nfs/dbraw/zinc/03/55/07/569035507.db2.gz KGKRTUHZSIEJES-UHFFFAOYSA-N 0 0 418.950 5.118 50 0 HKAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063958658 569035465 /nfs/dbraw/zinc/03/54/65/569035465.db2.gz QZCODXULWQBSJO-UHFFFAOYSA-N 0 0 424.979 5.179 50 0 HKAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063958726 569035458 /nfs/dbraw/zinc/03/54/58/569035458.db2.gz DPWDOKZNDOBMAG-UHFFFAOYSA-N 0 0 412.559 5.081 50 0 HKAARN CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064027191 569038034 /nfs/dbraw/zinc/03/80/34/569038034.db2.gz BBSHZPOWHSJOCC-OAHLLOKOSA-N 0 0 402.951 5.156 50 0 HKAARN O=C(NCC1(c2cccc(F)c2)CCOCC1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064027786 569038010 /nfs/dbraw/zinc/03/80/10/569038010.db2.gz LVUWDCATSHYRGH-UHFFFAOYSA-N 0 0 418.921 5.014 50 0 HKAARN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)OCc1nc2ccccc2o1 ZINC000064179845 569046086 /nfs/dbraw/zinc/04/60/86/569046086.db2.gz YWRSAXOBZONXOZ-UHFFFAOYSA-N 0 0 419.289 5.544 50 0 HKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000064220351 558962421 /nfs/dbraw/zinc/96/24/21/558962421.db2.gz DDJMOMHMVFXEQF-HGUNRGEOSA-N 0 0 400.691 7.923 50 0 HKAARN CN(C)c1ccc(NC(=O)c2csc(-c3ccccc3F)n2)c(C(F)(F)F)c1 ZINC000064301568 569052335 /nfs/dbraw/zinc/05/23/35/569052335.db2.gz MPJSPRKAPLMIHJ-UHFFFAOYSA-N 0 0 409.408 5.286 50 0 HKAARN COc1ccc(N(C)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1OC ZINC000064323507 569053307 /nfs/dbraw/zinc/05/33/07/569053307.db2.gz OGHLALURMDQWRI-UHFFFAOYSA-N 0 0 410.520 5.319 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000064328316 569053264 /nfs/dbraw/zinc/05/32/64/569053264.db2.gz VWBOYGOJDBMWNZ-UHFFFAOYSA-N 0 0 405.285 5.297 50 0 HKAARN Cc1cc(C)c(NC(=S)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000064378082 569059304 /nfs/dbraw/zinc/05/93/04/569059304.db2.gz PPKXUDFVTBHHCU-LBPRGKRZSA-N 0 0 404.898 5.194 50 0 HKAARN O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc2c(c1)COC2 ZINC000064393199 569060544 /nfs/dbraw/zinc/06/05/44/569060544.db2.gz GOUVTXSWZRDMTK-UHFFFAOYSA-N 0 0 401.249 5.463 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1nc2cc(C)c(C)cc2nc1OC(C)C ZINC000064439010 569062213 /nfs/dbraw/zinc/06/22/13/569062213.db2.gz UIOVWSCQPOJNIY-UHFFFAOYSA-N 0 0 413.905 5.257 50 0 HKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3Br)nc2cc1C ZINC000064439032 569062188 /nfs/dbraw/zinc/06/21/88/569062188.db2.gz KBZPJOCFQQPEQF-UHFFFAOYSA-N 0 0 414.303 5.049 50 0 HKAARN CCOc1ccc(OCC)c(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)c1 ZINC000064439051 569062176 /nfs/dbraw/zinc/06/21/76/569062176.db2.gz IHCZIEJEODDPBA-UHFFFAOYSA-N 0 0 423.513 5.084 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)cc5Cl)n3n2)CCCC4)cc1 ZINC000064449927 569062565 /nfs/dbraw/zinc/06/25/65/569062565.db2.gz VKZOWGAABWMDDI-UHFFFAOYSA-N 0 0 417.944 5.608 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)c(F)c5)n3n2)CCCC4)cc1 ZINC000064449930 569062519 /nfs/dbraw/zinc/06/25/19/569062519.db2.gz QUYPWLKEVKFURS-UHFFFAOYSA-N 0 0 401.489 5.093 50 0 HKAARN CCOc1ccccc1Nc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000064449944 569062696 /nfs/dbraw/zinc/06/26/96/569062696.db2.gz NQOOWZMZPCMNND-UHFFFAOYSA-N 0 0 413.525 5.045 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(NCc5ccccc5Cl)n3n2)CCCC4)cc1 ZINC000064449954 569062695 /nfs/dbraw/zinc/06/26/95/569062695.db2.gz NOKHCWHVWVMGSY-UHFFFAOYSA-N 0 0 417.944 5.168 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cccc(Cl)c5)n3n2)CCCC4)cc1 ZINC000064449960 569062655 /nfs/dbraw/zinc/06/26/55/569062655.db2.gz LRBMTCUPYHSADR-UHFFFAOYSA-N 0 0 403.917 5.299 50 0 HKAARN CCOc1ccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCCC3)cc1 ZINC000064449965 569062726 /nfs/dbraw/zinc/06/27/26/569062726.db2.gz APQHQKLPMRAKSE-UHFFFAOYSA-N 0 0 413.525 5.045 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)cc5C)n3n2)CCCC4)cc1 ZINC000064449966 569062734 /nfs/dbraw/zinc/06/27/34/569062734.db2.gz LQVMQINWIJAPNB-UHFFFAOYSA-N 0 0 401.489 5.093 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)cc5Cl)n3n2)CCCC4)cc1 ZINC000064449967 569062756 /nfs/dbraw/zinc/06/27/56/569062756.db2.gz JJBONHURGRECTQ-UHFFFAOYSA-N 0 0 421.907 5.438 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)c(Cl)c5)n3n2)CCCC4)cc1 ZINC000064449980 569062755 /nfs/dbraw/zinc/06/27/55/569062755.db2.gz OGZOCMKBABSYLN-UHFFFAOYSA-N 0 0 421.907 5.438 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cc(F)ccc5C)n3n2)CCCC4)cc1 ZINC000064449985 569062705 /nfs/dbraw/zinc/06/27/05/569062705.db2.gz HLNFBWDHTIXHGX-UHFFFAOYSA-N 0 0 401.489 5.093 50 0 HKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)c(Cl)c5)n3n2)CCC4)cc1 ZINC000064450030 569062707 /nfs/dbraw/zinc/06/27/07/569062707.db2.gz BXCGKRUYFFCWMC-UHFFFAOYSA-N 0 0 407.880 5.048 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450200 569062799 /nfs/dbraw/zinc/06/27/99/569062799.db2.gz ZVULIIODRUWGKZ-JOCHJYFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000064450201 569062759 /nfs/dbraw/zinc/06/27/59/569062759.db2.gz ZVULIIODRUWGKZ-QFIPXVFZSA-N 0 0 409.489 5.259 50 0 HKAARN Cc1cc(-c2c(-c3ccc4ccccc4c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c(C)s1 ZINC000064450270 569062569 /nfs/dbraw/zinc/06/25/69/569062569.db2.gz GZBHHEJQOGMEQN-UHFFFAOYSA-N 0 0 401.491 5.133 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000064452316 569062861 /nfs/dbraw/zinc/06/28/61/569062861.db2.gz KNGLKKBSOCCLSD-KRWDZBQOSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000064452317 569062846 /nfs/dbraw/zinc/06/28/46/569062846.db2.gz KNGLKKBSOCCLSD-QGZVFWFLSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000064452319 569062845 /nfs/dbraw/zinc/06/28/45/569062845.db2.gz SQMFQYJCXQWBRE-KRWDZBQOSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000064452320 569062877 /nfs/dbraw/zinc/06/28/77/569062877.db2.gz SQMFQYJCXQWBRE-QGZVFWFLSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000064452357 569062942 /nfs/dbraw/zinc/06/29/42/569062942.db2.gz RQLFBTGAHFNGED-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 ZINC000064452359 569062898 /nfs/dbraw/zinc/06/28/98/569062898.db2.gz RQLFBTGAHFNGED-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000064452360 569062883 /nfs/dbraw/zinc/06/28/83/569062883.db2.gz GHXRBZLXNQFCGK-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000064452362 569062868 /nfs/dbraw/zinc/06/28/68/569062868.db2.gz GHXRBZLXNQFCGK-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000064452367 569062858 /nfs/dbraw/zinc/06/28/58/569062858.db2.gz JPDKGPSUMCPVDH-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000064452369 569062889 /nfs/dbraw/zinc/06/28/89/569062889.db2.gz JPDKGPSUMCPVDH-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000064452370 569062936 /nfs/dbraw/zinc/06/29/36/569062936.db2.gz SFYGYMYXCAOXNO-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000064452372 569062923 /nfs/dbraw/zinc/06/29/23/569062923.db2.gz SFYGYMYXCAOXNO-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl ZINC000064452427 569062911 /nfs/dbraw/zinc/06/29/11/569062911.db2.gz NRVASCLQNIERKM-QGZVFWFLSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl ZINC000064452428 569062919 /nfs/dbraw/zinc/06/29/19/569062919.db2.gz NRVASCLQNIERKM-KRWDZBQOSA-N 0 0 422.916 5.086 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1 ZINC000064452440 569062899 /nfs/dbraw/zinc/06/28/99/569062899.db2.gz STKXDPPRMOQSTG-HXUWFJFHSA-N 0 0 416.525 5.247 50 0 HKAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1 ZINC000064452441 569062927 /nfs/dbraw/zinc/06/29/27/569062927.db2.gz STKXDPPRMOQSTG-FQEVSTJZSA-N 0 0 416.525 5.247 50 0 HKAARN CC(C)c1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000064452462 569062920 /nfs/dbraw/zinc/06/29/20/569062920.db2.gz MZAHVGNMGHQEER-HXUWFJFHSA-N 0 0 416.525 5.247 50 0 HKAARN CC(C)c1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000064452463 569062907 /nfs/dbraw/zinc/06/29/07/569062907.db2.gz MZAHVGNMGHQEER-FQEVSTJZSA-N 0 0 416.525 5.247 50 0 HKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000064452490 569062917 /nfs/dbraw/zinc/06/29/17/569062917.db2.gz MNSQBKYOHSWYQF-KRWDZBQOSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000064452492 569062940 /nfs/dbraw/zinc/06/29/40/569062940.db2.gz MNSQBKYOHSWYQF-QGZVFWFLSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000064452494 569062900 /nfs/dbraw/zinc/06/29/00/569062900.db2.gz RTOUKPICFIKKNS-KRWDZBQOSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000064452495 569062916 /nfs/dbraw/zinc/06/29/16/569062916.db2.gz RTOUKPICFIKKNS-QGZVFWFLSA-N 0 0 422.916 5.086 50 0 HKAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1C ZINC000064452520 569062975 /nfs/dbraw/zinc/06/29/75/569062975.db2.gz ICYRZXCZMCMRJE-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1C ZINC000064452522 569062988 /nfs/dbraw/zinc/06/29/88/569062988.db2.gz ICYRZXCZMCMRJE-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)c1 ZINC000064452524 569062965 /nfs/dbraw/zinc/06/29/65/569062965.db2.gz KELNKZPZWZULTO-FQEVSTJZSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)c1 ZINC000064452525 569062977 /nfs/dbraw/zinc/06/29/77/569062977.db2.gz KELNKZPZWZULTO-HXUWFJFHSA-N 0 0 416.525 5.049 50 0 HKAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4F)C3)n2)cc1 ZINC000064459567 569062983 /nfs/dbraw/zinc/06/29/83/569062983.db2.gz CTPKOAXYURUTPQ-QGZVFWFLSA-N 0 0 424.907 5.656 50 0 HKAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4F)C3)n2)cc1 ZINC000064459569 569062991 /nfs/dbraw/zinc/06/29/91/569062991.db2.gz CTPKOAXYURUTPQ-KRWDZBQOSA-N 0 0 424.907 5.656 50 0 HKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Cl)cc1F ZINC000064459690 569062976 /nfs/dbraw/zinc/06/29/76/569062976.db2.gz FKXWZZKUAQTWHP-UHFFFAOYSA-N 0 0 404.898 5.035 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1 ZINC000064459710 569062946 /nfs/dbraw/zinc/06/29/46/569062946.db2.gz SLFCGLWBXHGMFL-LBPRGKRZSA-N 0 0 400.935 5.142 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1 ZINC000064459711 569062981 /nfs/dbraw/zinc/06/29/81/569062981.db2.gz SLFCGLWBXHGMFL-GFCCVEGCSA-N 0 0 400.935 5.142 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1Cl ZINC000064459729 569062950 /nfs/dbraw/zinc/06/29/50/569062950.db2.gz RKNDRTSEXNFXEF-NSHDSACASA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1Cl ZINC000064459730 569062968 /nfs/dbraw/zinc/06/29/68/569062968.db2.gz RKNDRTSEXNFXEF-LLVKDONJSA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1F ZINC000064459735 569062949 /nfs/dbraw/zinc/06/29/49/569062949.db2.gz QRJCBJMUTQYYIK-NSHDSACASA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1F ZINC000064459736 569062992 /nfs/dbraw/zinc/06/29/92/569062992.db2.gz QRJCBJMUTQYYIK-LLVKDONJSA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1cc(F)ccc1Cl ZINC000064459745 569062957 /nfs/dbraw/zinc/06/29/57/569062957.db2.gz LRDCQNUQDPWYGB-NSHDSACASA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cc(F)ccc1Cl ZINC000064459746 569062961 /nfs/dbraw/zinc/06/29/61/569062961.db2.gz LRDCQNUQDPWYGB-LLVKDONJSA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1cc(Cl)ccc1F ZINC000064459751 569062986 /nfs/dbraw/zinc/06/29/86/569062986.db2.gz PDTYKQIYDDXWKY-NSHDSACASA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cc(Cl)ccc1F ZINC000064459754 569062978 /nfs/dbraw/zinc/06/29/78/569062978.db2.gz PDTYKQIYDDXWKY-LLVKDONJSA-N 0 0 418.925 5.281 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1C ZINC000064459756 569062987 /nfs/dbraw/zinc/06/29/87/569062987.db2.gz JTJINFSKWZFGQK-LBPRGKRZSA-N 0 0 414.962 5.450 50 0 HKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(Cl)cc1C ZINC000064459757 569062958 /nfs/dbraw/zinc/06/29/58/569062958.db2.gz JTJINFSKWZFGQK-GFCCVEGCSA-N 0 0 414.962 5.450 50 0 HKAARN Cc1c(Cl)cccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471709 569063471 /nfs/dbraw/zinc/06/34/71/569063471.db2.gz JDUHKDVZKZDRSR-UHFFFAOYSA-N 0 0 415.921 5.268 50 0 HKAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471710 569063466 /nfs/dbraw/zinc/06/34/66/569063466.db2.gz FESDBWHTVUYDLZ-UHFFFAOYSA-N 0 0 415.921 5.268 50 0 HKAARN Cc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471712 569063458 /nfs/dbraw/zinc/06/34/58/569063458.db2.gz WRMRCDOQYNMBKS-UHFFFAOYSA-N 0 0 415.921 5.268 50 0 HKAARN CC(C)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000064471714 569063514 /nfs/dbraw/zinc/06/35/14/569063514.db2.gz PCMUVEBQNXULIN-UHFFFAOYSA-N 0 0 409.530 5.430 50 0 HKAARN COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471907 569063522 /nfs/dbraw/zinc/06/35/22/569063522.db2.gz HPZTUAVTDRTLKB-UHFFFAOYSA-N 0 0 413.880 5.406 50 0 HKAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c(Cl)c1 ZINC000064471924 569063519 /nfs/dbraw/zinc/06/35/19/569063519.db2.gz SDNMDTBQEVCIJK-UHFFFAOYSA-N 0 0 415.921 5.268 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 ZINC000064471926 569063552 /nfs/dbraw/zinc/06/35/52/569063552.db2.gz NBRVMCAIVRZMMS-UHFFFAOYSA-N 0 0 419.884 5.099 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCCC1 ZINC000064471975 569063556 /nfs/dbraw/zinc/06/35/56/569063556.db2.gz ZHJOATVCXVTLNI-UHFFFAOYSA-N 0 0 414.278 5.116 50 0 HKAARN CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c1 ZINC000064471982 569063539 /nfs/dbraw/zinc/06/35/39/569063539.db2.gz QCEQKCBLRHOLJT-UHFFFAOYSA-N 0 0 423.488 5.151 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCCC1 ZINC000064471987 569063554 /nfs/dbraw/zinc/06/35/54/569063554.db2.gz ZNMWRDJBXSSODY-UHFFFAOYSA-N 0 0 414.278 5.116 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCCC1 ZINC000064471990 558963595 /nfs/dbraw/zinc/96/35/95/558963595.db2.gz JTYQLDXKBSQQJD-UHFFFAOYSA-N 0 0 404.272 5.660 50 0 HKAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c1 ZINC000064471991 569063549 /nfs/dbraw/zinc/06/35/49/569063549.db2.gz TUERKFHULWTRJB-UHFFFAOYSA-N 0 0 423.900 5.045 50 0 HKAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000064472000 569063540 /nfs/dbraw/zinc/06/35/40/569063540.db2.gz RDEGATNEVASSOV-UHFFFAOYSA-N 0 0 423.900 5.045 50 0 HKAARN CCCCc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 ZINC000064472427 569063564 /nfs/dbraw/zinc/06/35/64/569063564.db2.gz YROUEJHBWNUGIX-UHFFFAOYSA-N 0 0 400.547 6.801 50 0 HKAARN CCOC(=O)c1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 ZINC000064472443 569063527 /nfs/dbraw/zinc/06/35/27/569063527.db2.gz IAFCVMXUGIASKA-UHFFFAOYSA-N 0 0 416.502 5.635 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1Cl ZINC000064472463 569063555 /nfs/dbraw/zinc/06/35/55/569063555.db2.gz MPNXRNXPTSRCPR-UHFFFAOYSA-N 0 0 408.910 6.120 50 0 HKAARN CCOc1ccccc1CNC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472477 569063531 /nfs/dbraw/zinc/06/35/31/569063531.db2.gz OVCULMSLFOMHLO-UHFFFAOYSA-N 0 0 402.519 5.535 50 0 HKAARN COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1OC ZINC000064472479 569063518 /nfs/dbraw/zinc/06/35/18/569063518.db2.gz CUESZZVRAWYAOX-UHFFFAOYSA-N 0 0 418.518 5.153 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1OC ZINC000064472487 569063538 /nfs/dbraw/zinc/06/35/38/569063538.db2.gz ZCFZHBXVKRCTEP-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN COc1cc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc(OC)c1 ZINC000064472489 569063533 /nfs/dbraw/zinc/06/35/33/569063533.db2.gz FLEMTGNYAVNIJJ-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c(OC)c1 ZINC000064472500 569063537 /nfs/dbraw/zinc/06/35/37/569063537.db2.gz DBUPXLDCSPKBEN-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN CCOc1ccccc1NC(=O)c1scc(-c2cccc(C)c2)c1-n1cccc1 ZINC000064472502 569063557 /nfs/dbraw/zinc/06/35/57/569063557.db2.gz CKUZFBIUCRUNLN-UHFFFAOYSA-N 0 0 402.519 6.165 50 0 HKAARN CCOc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064472503 569063542 /nfs/dbraw/zinc/06/35/42/569063542.db2.gz BHRIHAFIKCTRGO-UHFFFAOYSA-N 0 0 402.519 6.165 50 0 HKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc4c(c3)OCO4)c2-n2cccc2)c1 ZINC000064472505 569063550 /nfs/dbraw/zinc/06/35/50/569063550.db2.gz XWBVKZHXNSLRKS-UHFFFAOYSA-N 0 0 402.475 5.495 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1scc(-c2cccc(C)c2)c1-n1cccc1 ZINC000064472507 569063567 /nfs/dbraw/zinc/06/35/67/569063567.db2.gz SHUIVYMOKSYOBO-UHFFFAOYSA-N 0 0 402.519 6.084 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064472510 569063525 /nfs/dbraw/zinc/06/35/25/569063525.db2.gz PKQANBXIHIFCKF-UHFFFAOYSA-N 0 0 415.518 5.725 50 0 HKAARN CCOc1ccccc1CNC(=O)c1scc(-c2cccc(C)c2)c1-n1cccc1 ZINC000064472521 569063571 /nfs/dbraw/zinc/06/35/71/569063571.db2.gz LFDPBGHJCOCBJE-UHFFFAOYSA-N 0 0 416.546 5.843 50 0 HKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(C(C)C)cc3)c2-n2cccc2)cc1 ZINC000064472537 569063528 /nfs/dbraw/zinc/06/35/28/569063528.db2.gz KCNBQSKPWVKNDU-UHFFFAOYSA-N 0 0 400.547 6.890 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 ZINC000064472544 569063558 /nfs/dbraw/zinc/06/35/58/569063558.db2.gz ILAXVGPMXVHQDQ-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN COc1ccc(OC)c(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064472546 569063524 /nfs/dbraw/zinc/06/35/24/569063524.db2.gz OUXGHRBBGCTPPF-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN CCOc1ccccc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472548 569063559 /nfs/dbraw/zinc/06/35/59/569063559.db2.gz WMNBGMPMVBCHTC-UHFFFAOYSA-N 0 0 402.519 6.165 50 0 HKAARN CCOc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472550 569063530 /nfs/dbraw/zinc/06/35/30/569063530.db2.gz YPDDMKAJVCABQI-UHFFFAOYSA-N 0 0 402.519 6.165 50 0 HKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(N(C)C)cc3)c2-n2cccc2)cc1 ZINC000064472553 569063523 /nfs/dbraw/zinc/06/35/23/569063523.db2.gz ZXYZWBLQPQPOOS-UHFFFAOYSA-N 0 0 401.535 5.833 50 0 HKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc4c(c3)OCCO4)c2-n2cccc2)cc1 ZINC000064472555 569063553 /nfs/dbraw/zinc/06/35/53/569063553.db2.gz BNMGFRLHSSOWBK-UHFFFAOYSA-N 0 0 416.502 5.538 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472557 569063548 /nfs/dbraw/zinc/06/35/48/569063548.db2.gz DPTQETJOFPUAJE-UHFFFAOYSA-N 0 0 402.519 6.084 50 0 HKAARN COC(=O)c1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472559 569063560 /nfs/dbraw/zinc/06/35/60/569063560.db2.gz BGELRLADNWWMOK-UHFFFAOYSA-N 0 0 416.502 5.553 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472562 569063532 /nfs/dbraw/zinc/06/35/32/569063532.db2.gz LPMROWMJIZFTMH-UHFFFAOYSA-N 0 0 415.518 5.725 50 0 HKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2-n2cccc2)cc1 ZINC000064472580 569063541 /nfs/dbraw/zinc/06/35/41/569063541.db2.gz GGHPPRLBPIDXFL-UHFFFAOYSA-N 0 0 406.938 6.728 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1Cl ZINC000064472584 569063535 /nfs/dbraw/zinc/06/35/35/569063535.db2.gz DSXZQDCYYOTXDW-UHFFFAOYSA-N 0 0 422.937 6.429 50 0 HKAARN CCc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472604 569063534 /nfs/dbraw/zinc/06/35/34/569063534.db2.gz QLHRFZTZEWKODD-UHFFFAOYSA-N 0 0 400.547 6.007 50 0 HKAARN Cc1ccc(-c2csc(C(=O)NCc3ccc(C(C)C)cc3)c2-n2cccc2)cc1 ZINC000064472605 569063521 /nfs/dbraw/zinc/06/35/21/569063521.db2.gz APLPBTRXOTTWPI-UHFFFAOYSA-N 0 0 414.574 6.568 50 0 HKAARN COc1ccccc1CNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472607 569063594 /nfs/dbraw/zinc/06/35/94/569063594.db2.gz ZXSCGZZEGJFVSC-UHFFFAOYSA-N 0 0 402.519 5.453 50 0 HKAARN COc1cccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064472609 569063574 /nfs/dbraw/zinc/06/35/74/569063574.db2.gz IZASKRACWOMNOY-UHFFFAOYSA-N 0 0 402.519 5.453 50 0 HKAARN CCOc1ccccc1CNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472611 569063598 /nfs/dbraw/zinc/06/35/98/569063598.db2.gz XNUKWUBBVHRBDU-UHFFFAOYSA-N 0 0 416.546 5.843 50 0 HKAARN Cc1ccc(-c2csc(C(=O)NCc3ccccc3Cl)c2-n2cccc2)cc1 ZINC000064472620 569063356 /nfs/dbraw/zinc/06/33/56/569063356.db2.gz PERDRPOOFKISQZ-UHFFFAOYSA-N 0 0 406.938 6.098 50 0 HKAARN Cc1ccc(-c2csc(C(=O)NCCCc3ccccc3)c2-n2cccc2)cc1 ZINC000064472628 569063377 /nfs/dbraw/zinc/06/33/77/569063377.db2.gz HVZAUVWPNWEDNP-UHFFFAOYSA-N 0 0 400.547 5.877 50 0 HKAARN COc1cc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc(OC)c1 ZINC000064472634 569063347 /nfs/dbraw/zinc/06/33/47/569063347.db2.gz WPJLBCUAHVZPIA-UHFFFAOYSA-N 0 0 418.518 5.784 50 0 HKAARN COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472636 569063388 /nfs/dbraw/zinc/06/33/88/569063388.db2.gz WVJUNYXIBJTOLI-UHFFFAOYSA-N 0 0 402.519 5.453 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c(OC)c1 ZINC000064472650 569063384 /nfs/dbraw/zinc/06/33/84/569063384.db2.gz 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COc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000064472794 569063374 /nfs/dbraw/zinc/06/33/74/569063374.db2.gz HYXVTTFWHSUOFP-UHFFFAOYSA-N 0 0 422.937 5.798 50 0 HKAARN COc1ccc(-c2csc(C(=O)Nc3ccccc3OC)c2-n2cccc2)cc1 ZINC000064472796 569063370 /nfs/dbraw/zinc/06/33/70/569063370.db2.gz BQRDMUZFDQYGGQ-UHFFFAOYSA-N 0 0 404.491 5.475 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3ccc(OC)cc3)c2-n2cccc2)cc1 ZINC000064472798 569063345 /nfs/dbraw/zinc/06/33/45/569063345.db2.gz MHVHJIHJKLLGCO-UHFFFAOYSA-N 0 0 404.491 5.475 50 0 HKAARN COC(=O)c1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1 ZINC000064472807 569063351 /nfs/dbraw/zinc/06/33/51/569063351.db2.gz RJVRKDBSSGVULM-UHFFFAOYSA-N 0 0 420.465 5.384 50 0 HKAARN COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2cccnc2)cc1 ZINC000064472871 569063429 /nfs/dbraw/zinc/06/34/29/569063429.db2.gz UWCWMPWRWWDVJR-UHFFFAOYSA-N 0 0 418.884 5.157 50 0 HKAARN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2cccnc2)cc1 ZINC000064472872 569063462 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COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000064474020 569063577 /nfs/dbraw/zinc/06/35/77/569063577.db2.gz FACFNIBYQFYJHH-UHFFFAOYSA-N 0 0 409.917 5.513 50 0 HKAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(C)c(F)c3)c2c1 ZINC000064474028 569063621 /nfs/dbraw/zinc/06/36/21/569063621.db2.gz DLRPZRCLBFNQKO-UHFFFAOYSA-N 0 0 407.489 5.307 50 0 HKAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064474029 569063619 /nfs/dbraw/zinc/06/36/19/569063619.db2.gz SVZZMVABHQJAST-UHFFFAOYSA-N 0 0 411.452 5.137 50 0 HKAARN CCc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474052 569063659 /nfs/dbraw/zinc/06/36/59/569063659.db2.gz GCLYQTLTWSEGPJ-UHFFFAOYSA-N 0 0 419.525 5.184 50 0 HKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(C)c(C)c3)c2cc1OC ZINC000064474056 569063629 /nfs/dbraw/zinc/06/36/29/569063629.db2.gz QKABAQRKOFQHTK-UHFFFAOYSA-N 0 0 419.525 5.239 50 0 HKAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000064474058 569063654 /nfs/dbraw/zinc/06/36/54/569063654.db2.gz GKEQRXXWWZTDEU-UHFFFAOYSA-N 0 0 419.525 5.239 50 0 HKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3cccc(C)c3)c2cc1OC ZINC000064474082 569063655 /nfs/dbraw/zinc/06/36/55/569063655.db2.gz YKZKFEUHCGRYDK-UHFFFAOYSA-N 0 0 419.525 5.176 50 0 HKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3cccc(F)c3)c2cc1OC ZINC000064474088 569063635 /nfs/dbraw/zinc/06/36/35/569063635.db2.gz LZTNSXANMYTSMO-UHFFFAOYSA-N 0 0 423.488 5.007 50 0 HKAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)cc3)c2cc1OC ZINC000064474090 569063670 /nfs/dbraw/zinc/06/36/70/569063670.db2.gz DUNBZWKCFIFUSL-UHFFFAOYSA-N 0 0 423.488 5.007 50 0 HKAARN COc1cc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3cccc(F)c3)c2cc1OC ZINC000064474128 569063660 /nfs/dbraw/zinc/06/36/60/569063660.db2.gz FFFINMRTBCZZLW-OAHLLOKOSA-N 0 0 423.488 5.007 50 0 HKAARN COc1cc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3cccc(F)c3)c2cc1OC ZINC000064474130 569063627 /nfs/dbraw/zinc/06/36/27/569063627.db2.gz FFFINMRTBCZZLW-HNNXBMFYSA-N 0 0 423.488 5.007 50 0 HKAARN COc1cc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3cccc(C)c3)c2cc1OC ZINC000064474142 569063671 /nfs/dbraw/zinc/06/36/71/569063671.db2.gz ZNUJGNKWJHTWSK-KRWDZBQOSA-N 0 0 419.525 5.176 50 0 HKAARN COc1cc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3cccc(C)c3)c2cc1OC ZINC000064474143 569063637 /nfs/dbraw/zinc/06/36/37/569063637.db2.gz ZNUJGNKWJHTWSK-QGZVFWFLSA-N 0 0 419.525 5.176 50 0 HKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4C)c3)cn2)cc1 ZINC000064474155 569063653 /nfs/dbraw/zinc/06/36/53/569063653.db2.gz JWIREBIUFVNWCG-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4C)c3)cn2)c1 ZINC000064474157 569063631 /nfs/dbraw/zinc/06/36/31/569063631.db2.gz MIDNZPDVXUHWGM-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)c1 ZINC000064474161 569063661 /nfs/dbraw/zinc/06/36/61/569063661.db2.gz PCXBKLXTNPIIPF-UHFFFAOYSA-N 0 0 405.885 5.235 50 0 HKAARN COc1ccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000064474163 569063624 /nfs/dbraw/zinc/06/36/24/569063624.db2.gz SIIUVFWBESEKGJ-UHFFFAOYSA-N 0 0 405.885 5.235 50 0 HKAARN O=C(Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1)c1ccccc1Cl ZINC000064526608 558963849 /nfs/dbraw/zinc/96/38/49/558963849.db2.gz ISAKXXPMOQGVQW-UHFFFAOYSA-N 0 0 410.945 5.320 50 0 HKAARN O=C(Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1)c1cccc(Cl)c1 ZINC000064526618 558963823 /nfs/dbraw/zinc/96/38/23/558963823.db2.gz ZIDGSMBFIDQVIX-UHFFFAOYSA-N 0 0 410.945 5.320 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(F)cc3F)cc12 ZINC000064567887 569067491 /nfs/dbraw/zinc/06/74/91/569067491.db2.gz BTRGDIIAJJMGQV-UHFFFAOYSA-N 0 0 403.841 5.579 50 0 HKAARN CCOc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000064567890 569067473 /nfs/dbraw/zinc/06/74/73/569067473.db2.gz JNFLROQVRMEBMA-UHFFFAOYSA-N 0 0 411.914 5.700 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)cc3Cl)cc12 ZINC000064567898 569067479 /nfs/dbraw/zinc/06/74/79/569067479.db2.gz JBVPAYJRJMTZQX-UHFFFAOYSA-N 0 0 403.841 5.579 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)CCc3ccccc3)cc12 ZINC000064567906 569067496 /nfs/dbraw/zinc/06/74/96/569067496.db2.gz UYAMRVVVJSCNPX-HNNXBMFYSA-N 0 0 407.514 5.286 50 0 HKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C)CCc3ccccc3)cc12 ZINC000064567907 569067493 /nfs/dbraw/zinc/06/74/93/569067493.db2.gz UYAMRVVVJSCNPX-OAHLLOKOSA-N 0 0 407.514 5.286 50 0 HKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccc(F)cc3F)sc21 ZINC000064567936 569067488 /nfs/dbraw/zinc/06/74/88/569067488.db2.gz HQMJNPCJEYTPQH-UHFFFAOYSA-N 0 0 403.841 5.486 50 0 HKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3cc(F)ccc3F)sc21 ZINC000064567944 569067501 /nfs/dbraw/zinc/06/75/01/569067501.db2.gz DILUUXIJEOCTEH-UHFFFAOYSA-N 0 0 403.841 5.486 50 0 HKAARN COc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1Cl ZINC000064568321 569067551 /nfs/dbraw/zinc/06/75/51/569067551.db2.gz RPZWQTWMEAXLGN-UHFFFAOYSA-N 0 0 409.917 5.448 50 0 HKAARN Cc1ccc2nc(C(=O)Nc3ccc(Br)cc3)cc(N3CCCCC3)c2c1 ZINC000064568329 569067558 /nfs/dbraw/zinc/06/75/58/569067558.db2.gz WBTZEOLPCKTTHN-UHFFFAOYSA-N 0 0 424.342 5.548 50 0 HKAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)cc1 ZINC000064568379 569067552 /nfs/dbraw/zinc/06/75/52/569067552.db2.gz NKIXOYQIEJHMEB-UHFFFAOYSA-N 0 0 417.509 5.090 50 0 HKAARN Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(Br)cc3)c2c1 ZINC000064568395 569067541 /nfs/dbraw/zinc/06/75/41/569067541.db2.gz BFFKAVKNDQBETJ-UHFFFAOYSA-N 0 0 410.315 5.285 50 0 HKAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000064568417 569067527 /nfs/dbraw/zinc/06/75/27/569067527.db2.gz MAQOODIZBPLDEL-UHFFFAOYSA-N 0 0 417.509 5.027 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)cc1 ZINC000064568427 569067536 /nfs/dbraw/zinc/06/75/36/569067536.db2.gz KNYZZBPSAGULMA-UHFFFAOYSA-N 0 0 403.526 5.558 50 0 HKAARN COc1ccc(C)cc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccc(C)cc21 ZINC000064568430 569067563 /nfs/dbraw/zinc/06/75/63/569067563.db2.gz PCKACUDUYBCWAZ-UHFFFAOYSA-N 0 0 403.526 5.476 50 0 HKAARN Cc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000064568431 569067522 /nfs/dbraw/zinc/06/75/22/569067522.db2.gz RMPPSJBFILJGKA-UHFFFAOYSA-N 0 0 402.542 5.225 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(F)cc32)cc1 ZINC000064568438 569067604 /nfs/dbraw/zinc/06/76/04/569067604.db2.gz WBJBKFXHLROICP-UHFFFAOYSA-N 0 0 407.489 5.388 50 0 HKAARN COc1ccc(C)cc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccc(F)cc21 ZINC000064568441 569067594 /nfs/dbraw/zinc/06/75/94/569067594.db2.gz BNPUBJATOFXUCZ-UHFFFAOYSA-N 0 0 407.489 5.307 50 0 HKAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(F)cc32)c(OC)c1 ZINC000064568442 569067595 /nfs/dbraw/zinc/06/75/95/569067595.db2.gz CCLXRNUXIGNKOR-UHFFFAOYSA-N 0 0 423.488 5.007 50 0 HKAARN Cc1ccc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000064568457 569067621 /nfs/dbraw/zinc/06/76/21/569067621.db2.gz XNUSQHKXGZAXLO-UHFFFAOYSA-N 0 0 411.958 5.438 50 0 HKAARN Cc1ccc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(C(C)C)cc3)c2c1 ZINC000064568458 569067581 /nfs/dbraw/zinc/06/75/81/569067581.db2.gz FSANKSLZFGXVCH-UHFFFAOYSA-N 0 0 405.567 5.599 50 0 HKAARN Cc1ccc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000064568461 569067608 /nfs/dbraw/zinc/06/76/08/569067608.db2.gz OAWBDZMUCRSBFB-UHFFFAOYSA-N 0 0 415.921 5.268 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)cc1 ZINC000064568472 569067623 /nfs/dbraw/zinc/06/76/23/569067623.db2.gz DKWWUNYCZIARBW-SFHVURJKSA-N 0 0 403.526 5.558 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc32)cc1 ZINC000064568473 569067580 /nfs/dbraw/zinc/06/75/80/569067580.db2.gz DKWWUNYCZIARBW-GOSISDBHSA-N 0 0 403.526 5.558 50 0 HKAARN COc1cccc2c(Nc3ccc(Cl)c(F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568496 569067626 /nfs/dbraw/zinc/06/76/26/569067626.db2.gz QTBWPHBTDVCEDN-UHFFFAOYSA-N 0 0 413.880 5.406 50 0 HKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)ncn1 ZINC000064568547 569067669 /nfs/dbraw/zinc/06/76/69/569067669.db2.gz NTCVWZRSCOPSOS-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)ncn1 ZINC000064568553 569067645 /nfs/dbraw/zinc/06/76/45/569067645.db2.gz LRWNOYMRZRGOPM-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)ncn1 ZINC000064568555 569067651 /nfs/dbraw/zinc/06/76/51/569067651.db2.gz JPNVKHPAUGPTLZ-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)ncn1 ZINC000064568556 569067636 /nfs/dbraw/zinc/06/76/36/569067636.db2.gz QMTGNBZJPHJJIZ-UHFFFAOYSA-N 0 0 417.509 5.349 50 0 HKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)ncn2)c1 ZINC000064568582 569067646 /nfs/dbraw/zinc/06/76/46/569067646.db2.gz WKGGBGWSVORRFC-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)ncn2)c1 ZINC000064568590 569067649 /nfs/dbraw/zinc/06/76/49/569067649.db2.gz LUTBVDDEZDOCPK-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)ncn2)c1 ZINC000064568591 569067641 /nfs/dbraw/zinc/06/76/41/569067641.db2.gz PDRXFADEPWVIMR-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NC4CCCCC4)c3)ncn2)cc1 ZINC000064578349 569068356 /nfs/dbraw/zinc/06/83/56/569068356.db2.gz WAUIVJGLEYOQSP-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccccc4C)c3)ncn2)cc1 ZINC000064578359 569068361 /nfs/dbraw/zinc/06/83/61/569068361.db2.gz DOMLDSIAFSKQAR-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)ncn2)cc1 ZINC000064578363 569068344 /nfs/dbraw/zinc/06/83/44/569068344.db2.gz MNWGSPRPXBMXQU-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)ncn2)cc1 ZINC000064578368 569068380 /nfs/dbraw/zinc/06/83/80/569068380.db2.gz HAZDLDXWQCGCAW-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)ncn2)cc1 ZINC000064578377 569068358 /nfs/dbraw/zinc/06/83/58/569068358.db2.gz UUIBWIMMZJBBQF-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)ncn2)cc1 ZINC000064578381 569068332 /nfs/dbraw/zinc/06/83/32/569068332.db2.gz KAXGUJRDNXPEMM-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)ncn2)cc1 ZINC000064578383 569068364 /nfs/dbraw/zinc/06/83/64/569068364.db2.gz GKMKQJJMZLQUOW-UHFFFAOYSA-N 0 0 417.509 5.349 50 0 HKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)ncn1 ZINC000064578433 569068369 /nfs/dbraw/zinc/06/83/69/569068369.db2.gz IPVGBGFAZYIUSS-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccccc3C)c2)ncn1 ZINC000064578444 569068337 /nfs/dbraw/zinc/06/83/37/569068337.db2.gz VENCATLTXOQFDH-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)Nc3ccc(F)cc3)c2)ncn1 ZINC000064578454 569068359 /nfs/dbraw/zinc/06/83/59/569068359.db2.gz GYJMJIKGFCVAIT-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2cc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)ncn2)c1 ZINC000064578481 569068208 /nfs/dbraw/zinc/06/82/08/569068208.db2.gz UQHBWYCZTGMECI-UHFFFAOYSA-N 0 0 417.509 5.349 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578554 569068268 /nfs/dbraw/zinc/06/82/68/569068268.db2.gz YTHOJGQKPROORZ-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN COc1ccc(-c2cc(Oc3cccc(C(=O)Nc4ccc(C)cc4)c3)ncn2)cc1 ZINC000064578581 569068254 /nfs/dbraw/zinc/06/82/54/569068254.db2.gz JAILTRDDDHXEKE-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000064578625 569068257 /nfs/dbraw/zinc/06/82/57/569068257.db2.gz ZCBFQQMBUFZZBG-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578628 569068231 /nfs/dbraw/zinc/06/82/31/569068231.db2.gz QVHIZPQIQMMJPA-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578635 569068249 /nfs/dbraw/zinc/06/82/49/569068249.db2.gz IDAGLDADGCYNGH-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578641 569068267 /nfs/dbraw/zinc/06/82/67/569068267.db2.gz DTSKWSQJTURDJS-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578650 569068243 /nfs/dbraw/zinc/06/82/43/569068243.db2.gz BWTIXMHRNPIBKO-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578652 569068234 /nfs/dbraw/zinc/06/82/34/569068234.db2.gz UOHHGVLDRUQVCP-UHFFFAOYSA-N 0 0 417.415 5.144 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578654 569068230 /nfs/dbraw/zinc/06/82/30/569068230.db2.gz ADOJVAHUIQMYGY-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000064578658 569068244 /nfs/dbraw/zinc/06/82/44/569068244.db2.gz DHLIMKIKKLGUFI-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000064578660 569068240 /nfs/dbraw/zinc/06/82/40/569068240.db2.gz OVIHNTLMCMWPQR-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578668 569068246 /nfs/dbraw/zinc/06/82/46/569068246.db2.gz ZDFVZPYRYVUERE-UHFFFAOYSA-N 0 0 413.452 5.347 50 0 HKAARN CN(C(=O)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1)C1CCCCC1 ZINC000064578685 569068233 /nfs/dbraw/zinc/06/82/33/569068233.db2.gz MMNHXHASBWUGNL-UHFFFAOYSA-N 0 0 405.473 5.480 50 0 HKAARN O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000064578689 569068256 /nfs/dbraw/zinc/06/82/56/569068256.db2.gz DJQFXAJHIKQDJY-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000064578690 569068269 /nfs/dbraw/zinc/06/82/69/569068269.db2.gz AKXSUNUABPQRHT-UHFFFAOYSA-N 0 0 417.415 5.144 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000064578692 569068237 /nfs/dbraw/zinc/06/82/37/569068237.db2.gz HYCPNTWNBWOARW-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000064578694 569068232 /nfs/dbraw/zinc/06/82/32/569068232.db2.gz IFCXVZXRCQVSKS-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000064578700 569068266 /nfs/dbraw/zinc/06/82/66/569068266.db2.gz ALRVVJTXURABRI-UHFFFAOYSA-N 0 0 413.452 5.347 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578716 569068265 /nfs/dbraw/zinc/06/82/65/569068265.db2.gz SWIYQVGSNZVSQI-UHFFFAOYSA-N 0 0 411.461 5.587 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1Cl ZINC000064578719 569068264 /nfs/dbraw/zinc/06/82/64/569068264.db2.gz MQVWEGACGYRNFK-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578721 569068274 /nfs/dbraw/zinc/06/82/74/569068274.db2.gz XBJFINWEYPJWEG-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578738 569068278 /nfs/dbraw/zinc/06/82/78/569068278.db2.gz MJIDIPLRACMIMG-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578748 569068245 /nfs/dbraw/zinc/06/82/45/569068245.db2.gz WKHOECAJVCPFNE-UHFFFAOYSA-N 0 0 415.880 5.519 50 0 HKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000064580028 569068425 /nfs/dbraw/zinc/06/84/25/569068425.db2.gz UYBPOPYDFPBULO-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000064580030 569068407 /nfs/dbraw/zinc/06/84/07/569068407.db2.gz WABUSIUCAYFQQR-UHFFFAOYSA-N 0 0 415.449 5.063 50 0 HKAARN CCOc1ccccc1NC(=O)c1cccc(Nc2ncc(-c3cccc(C)c3)cn2)c1 ZINC000064605761 569071059 /nfs/dbraw/zinc/07/10/59/569071059.db2.gz VCXIJMPHNMZSPU-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN COc1cccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)c1 ZINC000064605763 569071087 /nfs/dbraw/zinc/07/10/87/569071087.db2.gz OPQPBZAOIJBRGS-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN 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COc1cc(OC)c(NC(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1Cl ZINC000064611148 569071361 /nfs/dbraw/zinc/07/13/61/569071361.db2.gz DNTKZDZBAOCEDL-UHFFFAOYSA-N 0 0 422.872 5.316 50 0 HKAARN COc1ccc(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)cc1Cl ZINC000064611166 569071374 /nfs/dbraw/zinc/07/13/74/569071374.db2.gz CLDBXINHDIJQFK-UHFFFAOYSA-N 0 0 406.873 5.616 50 0 HKAARN COc1ccc(NC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)cc1Cl ZINC000064611188 569071419 /nfs/dbraw/zinc/07/14/19/569071419.db2.gz YVQZLPQBOUPQEO-UHFFFAOYSA-N 0 0 406.873 5.616 50 0 HKAARN COc1ccc(NC(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1F ZINC000064611190 569071395 /nfs/dbraw/zinc/07/13/95/569071395.db2.gz CROBWLSFUHKFKC-UHFFFAOYSA-N 0 0 410.836 5.446 50 0 HKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4ccccc4F)CC3)c12 ZINC000064612413 569074436 /nfs/dbraw/zinc/07/44/36/569074436.db2.gz VTVXWOJDVHQIKC-UHFFFAOYSA-N 0 0 424.545 5.261 50 0 HKAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)Nc4cccc(F)c4)CC3)c12 ZINC000064612414 569074493 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O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)N[C@@H]1CCCc2ccccc21 ZINC000064657546 569077204 /nfs/dbraw/zinc/07/72/04/569077204.db2.gz PCSBEGKOCSLEPR-HXUWFJFHSA-N 0 0 404.510 5.703 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657557 569077267 /nfs/dbraw/zinc/07/72/67/569077267.db2.gz IWTGLPNBMUQFPN-KRWDZBQOSA-N 0 0 406.526 5.646 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657559 569077250 /nfs/dbraw/zinc/07/72/50/569077250.db2.gz IWTGLPNBMUQFPN-QGZVFWFLSA-N 0 0 406.526 5.646 50 0 HKAARN CC(C)Oc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)cc1 ZINC000064657607 569077209 /nfs/dbraw/zinc/07/72/09/569077209.db2.gz FPIBLIHILVLIFJ-UHFFFAOYSA-N 0 0 422.525 5.613 50 0 HKAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCc2ccccc2C1 ZINC000064657623 569077221 /nfs/dbraw/zinc/07/72/21/569077221.db2.gz BVSDCDPZEZZLTN-UHFFFAOYSA-N 0 0 406.938 5.608 50 0 HKAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CCCCCCC1 ZINC000064657641 569077313 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C[C@@H](CCc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657713 569077339 /nfs/dbraw/zinc/07/73/39/569077339.db2.gz UYLKPJYKMFMWND-KRWDZBQOSA-N 0 0 422.981 6.161 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657716 569077347 /nfs/dbraw/zinc/07/73/47/569077347.db2.gz UYLKPJYKMFMWND-QGZVFWFLSA-N 0 0 422.981 6.161 50 0 HKAARN CCOc1ccccc1CNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657783 569077334 /nfs/dbraw/zinc/07/73/34/569077334.db2.gz DZZDCOLZZBKELU-UHFFFAOYSA-N 0 0 424.953 5.738 50 0 HKAARN CC[C@@H]1Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064658037 569077349 /nfs/dbraw/zinc/07/73/49/569077349.db2.gz GKTPLEYMOLOYJC-LJQANCHMSA-N 0 0 422.956 5.561 50 0 HKAARN CC[C@H]1Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064658041 569077321 /nfs/dbraw/zinc/07/73/21/569077321.db2.gz GKTPLEYMOLOYJC-IBGZPJMESA-N 0 0 422.956 5.561 50 0 HKAARN CCC[C@H](NC(=O)c1cc2c3c(ccc2Cl)O[C@@H](CC)Cn13)c1cccs1 ZINC000064658078 569077428 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CC[C@@H]1Cn2c(C(=O)NCCc3ccc(SC)cc3)cc3c2c(ccc3Cl)O1 ZINC000064658106 569077406 /nfs/dbraw/zinc/07/74/06/569077406.db2.gz LRNXFMJTPAYAHQ-OAHLLOKOSA-N 0 0 414.958 5.160 50 0 HKAARN CC[C@H]1Cn2c(C(=O)NCCc3ccc(SC)cc3)cc3c2c(ccc3Cl)O1 ZINC000064658110 569077463 /nfs/dbraw/zinc/07/74/63/569077463.db2.gz LRNXFMJTPAYAHQ-HNNXBMFYSA-N 0 0 414.958 5.160 50 0 HKAARN O=C(c1cnc2ccccc2c1Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000064658263 569076383 /nfs/dbraw/zinc/07/63/83/569076383.db2.gz UPAYCTSNRWGTKW-UHFFFAOYSA-N 0 0 418.349 5.474 50 0 HKAARN O=C(c1cnc2ccccc2c1Nc1cc(Cl)ccc1Cl)N1CCSCC1 ZINC000064658264 569076391 /nfs/dbraw/zinc/07/63/91/569076391.db2.gz OMQATMQPCWVGIG-UHFFFAOYSA-N 0 0 418.349 5.474 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000064658272 569076427 /nfs/dbraw/zinc/07/64/27/569076427.db2.gz NAJRRCQBOWSUFQ-UHFFFAOYSA-N 0 0 418.299 6.050 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000064658275 569076430 /nfs/dbraw/zinc/07/64/30/569076430.db2.gz 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UEQQVEVDTLFPPE-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3C)cc2)C1=O ZINC000064687749 525140164 /nfs/dbraw/zinc/14/01/64/525140164.db2.gz FWLIZCUDQLJTBN-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000064687781 569082157 /nfs/dbraw/zinc/08/21/57/569082157.db2.gz MEJXBQUHRXJNRR-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000064687785 569082090 /nfs/dbraw/zinc/08/20/90/569082090.db2.gz SEWZIXYNXYTMGD-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccccc4C)cc3)C2=O)cc1 ZINC000064687787 569082158 /nfs/dbraw/zinc/08/21/58/569082158.db2.gz OGZCPIHUZQDYCU-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(C)c4)C3=O)cc2)cc1 ZINC000064687814 569082183 /nfs/dbraw/zinc/08/21/83/569082183.db2.gz AJVXCXKHKAFDLE-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4cccc(C)c4)cc3)C2=O)c1 ZINC000064687820 569082201 /nfs/dbraw/zinc/08/22/01/569082201.db2.gz HLPNRPIGVIBHKK-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccccc4C)cc3)C2=O)c1 ZINC000064687822 569082260 /nfs/dbraw/zinc/08/22/60/569082260.db2.gz KYONJVTZXQZALJ-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN O=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687889 569082209 /nfs/dbraw/zinc/08/22/09/569082209.db2.gz ONJGHQLYMMXGBX-UHFFFAOYSA-N 0 0 419.912 5.425 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000064687924 569082175 /nfs/dbraw/zinc/08/21/75/569082175.db2.gz FAHXGSSZJFUOIQ-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000064687929 524660374 /nfs/dbraw/zinc/66/03/74/524660374.db2.gz PWXXSIILCXSCBP-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000064687932 569082258 /nfs/dbraw/zinc/08/22/58/569082258.db2.gz JETQZRUHNUVYIC-UHFFFAOYSA-N 0 0 417.484 5.219 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)cc1C ZINC000064687970 569082255 /nfs/dbraw/zinc/08/22/55/569082255.db2.gz LQLPZYWKHYGXRV-UHFFFAOYSA-N 0 0 413.521 5.388 50 0 HKAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC(F)(F)F)cc1 ZINC000064690429 569082292 /nfs/dbraw/zinc/08/22/92/569082292.db2.gz LNNSFUWBDXSPFQ-UHFFFAOYSA-N 0 0 405.376 5.066 50 0 HKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000064690487 569082389 /nfs/dbraw/zinc/08/23/89/569082389.db2.gz LRNLRCGAAUHOQG-UHFFFAOYSA-N 0 0 417.553 5.273 50 0 HKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(Br)cc1 ZINC000064690545 569082451 /nfs/dbraw/zinc/08/24/51/569082451.db2.gz YUBAELWOEXBYNW-UHFFFAOYSA-N 0 0 414.303 5.320 50 0 HKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(OCC)ccc1OCC ZINC000064690555 569082409 /nfs/dbraw/zinc/08/24/09/569082409.db2.gz DFIZPIONKCRXAM-UHFFFAOYSA-N 0 0 423.513 5.354 50 0 HKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC(F)(F)F)cc1 ZINC000064690559 569082430 /nfs/dbraw/zinc/08/24/30/569082430.db2.gz IZTMTOPKEZDTOB-UHFFFAOYSA-N 0 0 419.403 5.456 50 0 HKAARN Cc1cc2nc(Nc3cccc(C(F)(F)F)c3)c(C(=O)OC(C)C)nc2cc1C ZINC000064690595 569082390 /nfs/dbraw/zinc/08/23/90/569082390.db2.gz LTLKOJDGTNCPHL-UHFFFAOYSA-N 0 0 403.404 5.574 50 0 HKAARN Cc1cc2nc(Nc3ccc(Br)cc3)c(C(=O)OC(C)C)nc2cc1C ZINC000064690626 569082527 /nfs/dbraw/zinc/08/25/27/569082527.db2.gz ZKTWROREEKWDPZ-UHFFFAOYSA-N 0 0 414.303 5.318 50 0 HKAARN CCOc1ccc(OCC)c(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c1 ZINC000064690630 569082575 /nfs/dbraw/zinc/08/25/75/569082575.db2.gz UFJNVCDIZPBCMB-UHFFFAOYSA-N 0 0 423.513 5.353 50 0 HKAARN CCCCn1c(SCc2cccc(OC)c2)nc2c3cccnc3sc2c1=O ZINC000064700305 569083198 /nfs/dbraw/zinc/08/31/98/569083198.db2.gz AAPMVFJMGPNZFO-UHFFFAOYSA-N 0 0 411.552 5.107 50 0 HKAARN CCCCOc1ccc(-c2cc3c(SCc4ccc(OC)cc4)nccn3n2)cc1 ZINC000064700589 569083305 /nfs/dbraw/zinc/08/33/05/569083305.db2.gz XZBKRXIYMNNYRG-UHFFFAOYSA-N 0 0 419.550 5.876 50 0 HKAARN O=C(/C=C/c1cccs1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747160 569088638 /nfs/dbraw/zinc/08/86/38/569088638.db2.gz PHJKIFYDWOWQAK-FDMDGMSGSA-N 0 0 419.428 5.194 50 0 HKAARN O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747161 569088605 /nfs/dbraw/zinc/08/86/05/569088605.db2.gz PHJKIFYDWOWQAK-ROJDOSBLSA-N 0 0 419.428 5.194 50 0 HKAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3Cl)n2)c1 ZINC000064747456 569088767 /nfs/dbraw/zinc/08/87/67/569088767.db2.gz XQRGDOSDHUDHFB-GOSISDBHSA-N 0 0 412.877 5.076 50 0 HKAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(C)cc3Cl)n2)c1 ZINC000064747457 569088768 /nfs/dbraw/zinc/08/87/68/569088768.db2.gz XQRGDOSDHUDHFB-SFHVURJKSA-N 0 0 412.877 5.076 50 0 HKAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3Cl)n2)cc1 ZINC000064747530 569088825 /nfs/dbraw/zinc/08/88/25/569088825.db2.gz IMAPWYIPYPILLZ-GOSISDBHSA-N 0 0 412.877 5.076 50 0 HKAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(C)cc3Cl)n2)cc1 ZINC000064747531 569088842 /nfs/dbraw/zinc/08/88/42/569088842.db2.gz IMAPWYIPYPILLZ-SFHVURJKSA-N 0 0 412.877 5.076 50 0 HKAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000064747588 569088823 /nfs/dbraw/zinc/08/88/23/569088823.db2.gz RKTLJJMWCPBQAC-QGZVFWFLSA-N 0 0 412.877 5.076 50 0 HKAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000064747589 569088962 /nfs/dbraw/zinc/08/89/62/569088962.db2.gz RKTLJJMWCPBQAC-KRWDZBQOSA-N 0 0 412.877 5.076 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747670 569088910 /nfs/dbraw/zinc/08/89/10/569088910.db2.gz PCXBJYFUHRSZIO-MRXNPFEDSA-N 0 0 404.804 5.037 50 0 HKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747671 569088947 /nfs/dbraw/zinc/08/89/47/569088947.db2.gz PCXBJYFUHRSZIO-INIZCTEOSA-N 0 0 404.804 5.037 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747680 569088936 /nfs/dbraw/zinc/08/89/36/569088936.db2.gz YKAGMRRBCFYWFL-MRXNPFEDSA-N 0 0 404.804 5.037 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747681 569088955 /nfs/dbraw/zinc/08/89/55/569088955.db2.gz YKAGMRRBCFYWFL-INIZCTEOSA-N 0 0 404.804 5.037 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c(Cl)c1 ZINC000064747690 569088957 /nfs/dbraw/zinc/08/89/57/569088957.db2.gz REGDWNRKPZRHLX-QGZVFWFLSA-N 0 0 418.831 5.346 50 0 HKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c(Cl)c1 ZINC000064747691 569088915 /nfs/dbraw/zinc/08/89/15/569088915.db2.gz REGDWNRKPZRHLX-KRWDZBQOSA-N 0 0 418.831 5.346 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747700 569088917 /nfs/dbraw/zinc/08/89/17/569088917.db2.gz KUFOOJNIERVWDX-MRXNPFEDSA-N 0 0 422.794 5.176 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747701 569088949 /nfs/dbraw/zinc/08/89/49/569088949.db2.gz KUFOOJNIERVWDX-INIZCTEOSA-N 0 0 422.794 5.176 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747720 569089035 /nfs/dbraw/zinc/08/90/35/569089035.db2.gz VPIQOWCKDPFNTN-MRXNPFEDSA-N 0 0 404.804 5.037 50 0 HKAARN O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747721 569089004 /nfs/dbraw/zinc/08/90/04/569089004.db2.gz VPIQOWCKDPFNTN-INIZCTEOSA-N 0 0 404.804 5.037 50 0 HKAARN CSc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000064747750 569088990 /nfs/dbraw/zinc/08/89/90/569088990.db2.gz VHRFLBXBCDRJKM-QGZVFWFLSA-N 0 0 416.453 5.106 50 0 HKAARN CSc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000064747751 569088745 /nfs/dbraw/zinc/08/87/45/569088745.db2.gz VHRFLBXBCDRJKM-KRWDZBQOSA-N 0 0 416.453 5.106 50 0 HKAARN CC(C)Sc1nc2ccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000064747847 569089143 /nfs/dbraw/zinc/08/91/43/569089143.db2.gz BTMDTFMCRDUZGO-UHFFFAOYSA-N 0 0 414.524 5.017 50 0 HKAARN CN(C)c1nc2sc(C(=O)Nc3cccc(C4SCCCS4)c3)cc2s1 ZINC000064748391 569089265 /nfs/dbraw/zinc/08/92/65/569089265.db2.gz INZOKSFDLCFEDD-UHFFFAOYSA-N 0 0 421.638 5.545 50 0 HKAARN COc1c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2oc1C(=O)Nc1ccccc1 ZINC000064755672 569089698 /nfs/dbraw/zinc/08/96/98/569089698.db2.gz ICLSMCGEXXZFRS-ACCUITESSA-N 0 0 416.433 5.247 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)s3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755690 569089706 /nfs/dbraw/zinc/08/97/06/569089706.db2.gz NCRQAJFTINXJOX-UHFFFAOYSA-N 0 0 420.490 5.624 50 0 HKAARN COc1c2cc(NC(=O)c3cccc(F)c3)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755695 569089786 /nfs/dbraw/zinc/08/97/86/569089786.db2.gz CJOAXNTYIQUPSZ-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)s3)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000064755705 569089758 /nfs/dbraw/zinc/08/97/58/569089758.db2.gz XRDDGOXTVPIMBC-UHFFFAOYSA-N 0 0 420.490 5.624 50 0 HKAARN COc1c2cc(NC(=O)c3cccc(F)c3)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000064755707 569089789 /nfs/dbraw/zinc/08/97/89/569089789.db2.gz LKSPIXISVFFAJT-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)c3cccc(C)c3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755719 569089668 /nfs/dbraw/zinc/08/96/68/569089668.db2.gz IVJMAXFXLGHDHB-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)cc3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755721 569089764 /nfs/dbraw/zinc/08/97/64/569089764.db2.gz BUTZQBCGHWFTSV-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)C3CCCCC3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755724 569089660 /nfs/dbraw/zinc/08/96/60/569089660.db2.gz LPLFUHYMWCBFFP-UHFFFAOYSA-N 0 0 410.445 5.352 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)s3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000064755728 569089731 /nfs/dbraw/zinc/08/97/31/569089731.db2.gz DBSWEVOWEPUONM-UHFFFAOYSA-N 0 0 424.453 5.455 50 0 HKAARN COc1c2cc(NC(=O)c3cccc(C)c3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755747 569089772 /nfs/dbraw/zinc/08/97/72/569089772.db2.gz FMXLJIPYXNIFOJ-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)cc3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755749 569089700 /nfs/dbraw/zinc/08/97/00/569089700.db2.gz FICRZEGLTUPTQM-UHFFFAOYSA-N 0 0 418.424 5.394 50 0 HKAARN COc1c2cc(NC(=O)C3CCCCC3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755753 569089663 /nfs/dbraw/zinc/08/96/63/569089663.db2.gz KZZXMACAADMRSK-UHFFFAOYSA-N 0 0 410.445 5.352 50 0 HKAARN COc1c2cc(NC(=O)c3ccc(C)s3)ccc2oc1C(=O)Nc1cccc(F)c1 ZINC000064755759 569089788 /nfs/dbraw/zinc/08/97/88/569089788.db2.gz HNHFGSMUOHLUQS-UHFFFAOYSA-N 0 0 424.453 5.455 50 0 HKAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)s2)n1 ZINC000064755841 569089774 /nfs/dbraw/zinc/08/97/74/569089774.db2.gz ZVOWPODWGHLKKS-AWEZNQCLSA-N 0 0 406.598 5.090 50 0 HKAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)s2)n1 ZINC000064755845 569089733 /nfs/dbraw/zinc/08/97/33/569089733.db2.gz ZVOWPODWGHLKKS-CQSZACIVSA-N 0 0 406.598 5.090 50 0 HKAARN O=C(NCc1ccccc1)c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1 ZINC000064756199 569089662 /nfs/dbraw/zinc/08/96/62/569089662.db2.gz KKUGAHHBWYEDOF-UHFFFAOYSA-N 0 0 410.521 5.534 50 0 HKAARN O=C(NCC1CCCCC1)c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1 ZINC000064756209 569089727 /nfs/dbraw/zinc/08/97/27/569089727.db2.gz LPJUTVKKLJKGJR-UHFFFAOYSA-N 0 0 416.569 5.914 50 0 HKAARN O=C(c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1)N1CCCCCC1 ZINC000064756212 569089667 /nfs/dbraw/zinc/08/96/67/569089667.db2.gz KYIYXTSFODKVIT-UHFFFAOYSA-N 0 0 402.542 5.620 50 0 HKAARN COc1c2cc(Cl)ccc2sc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000064756652 569089830 /nfs/dbraw/zinc/08/98/30/569089830.db2.gz KESUMYHLZQZOIG-NSHDSACASA-N 0 0 405.903 5.072 50 0 HKAARN COc1c2cc(Cl)ccc2sc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000064756654 569089892 /nfs/dbraw/zinc/08/98/92/569089892.db2.gz KESUMYHLZQZOIG-LLVKDONJSA-N 0 0 405.903 5.072 50 0 HKAARN COc1c2ccc(Cl)cc2sc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000064756809 569089828 /nfs/dbraw/zinc/08/98/28/569089828.db2.gz KIAMRERXGGEVTE-NSHDSACASA-N 0 0 405.903 5.072 50 0 HKAARN COc1c2ccc(Cl)cc2sc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000064756812 569089813 /nfs/dbraw/zinc/08/98/13/569089813.db2.gz KIAMRERXGGEVTE-LLVKDONJSA-N 0 0 405.903 5.072 50 0 HKAARN COc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000064757710 569091141 /nfs/dbraw/zinc/09/11/41/569091141.db2.gz OSGGTUSCTDDNNB-UHFFFAOYSA-N 0 0 407.417 5.475 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c32)c1 ZINC000064757980 569091150 /nfs/dbraw/zinc/09/11/50/569091150.db2.gz BFCLJVJWRHBNFZ-ZDUSSCGKSA-N 0 0 412.584 5.210 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)c1 ZINC000064757981 569091168 /nfs/dbraw/zinc/09/11/68/569091168.db2.gz BFCLJVJWRHBNFZ-CYBMUJFWSA-N 0 0 412.584 5.210 50 0 HKAARN CSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c32)cc1 ZINC000064757989 569091110 /nfs/dbraw/zinc/09/11/10/569091110.db2.gz CGYFDQFAYHFAJT-ZDUSSCGKSA-N 0 0 412.584 5.210 50 0 HKAARN CSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)cc1 ZINC000064757991 569091083 /nfs/dbraw/zinc/09/10/83/569091083.db2.gz CGYFDQFAYHFAJT-CYBMUJFWSA-N 0 0 412.584 5.210 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)c1 ZINC000064757995 569091115 /nfs/dbraw/zinc/09/11/15/569091115.db2.gz DTEJMXHMEYLXJJ-UHFFFAOYSA-N 0 0 412.584 5.354 50 0 HKAARN CCOc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)cc1 ZINC000064758003 569091172 /nfs/dbraw/zinc/09/11/72/569091172.db2.gz ZNKLAPXFSGQBMA-UHFFFAOYSA-N 0 0 410.543 5.031 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(Cl)cc1 ZINC000064758010 569091148 /nfs/dbraw/zinc/09/11/48/569091148.db2.gz SVBGZPKVQNWFKB-UHFFFAOYSA-N 0 0 400.935 5.286 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(Cl)cc1F ZINC000064758023 569091113 /nfs/dbraw/zinc/09/11/13/569091113.db2.gz DIUFVHGRCNANRL-UHFFFAOYSA-N 0 0 418.925 5.425 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1cc(F)c(F)cc1F ZINC000064758025 569091071 /nfs/dbraw/zinc/09/10/71/569091071.db2.gz FOZQQXRVOILNGT-UHFFFAOYSA-N 0 0 420.460 5.050 50 0 HKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(Cl)cc1C ZINC000064758033 569091125 /nfs/dbraw/zinc/09/11/25/569091125.db2.gz VOTSAPGIYJKTIB-UHFFFAOYSA-N 0 0 414.962 5.594 50 0 HKAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccc(CC)cc3)s2)n1 ZINC000064769412 569092686 /nfs/dbraw/zinc/09/26/86/569092686.db2.gz DCDVGEDWZCFDFY-CYBMUJFWSA-N 0 0 406.598 5.036 50 0 HKAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(CC)cc3)s2)n1 ZINC000064769414 569092700 /nfs/dbraw/zinc/09/27/00/569092700.db2.gz DCDVGEDWZCFDFY-ZDUSSCGKSA-N 0 0 406.598 5.036 50 0 HKAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)s2)n1 ZINC000064769439 569092563 /nfs/dbraw/zinc/09/25/63/569092563.db2.gz ZOGDMMDNIGOVHK-UHFFFAOYSA-N 0 0 412.989 5.127 50 0 HKAARN CSc1ccc(CNS(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)cc1 ZINC000064769503 569092821 /nfs/dbraw/zinc/09/28/21/569092821.db2.gz AKZPLTOGTARVBY-UHFFFAOYSA-N 0 0 424.638 5.195 50 0 HKAARN COc1cc(Cl)ccc1OC(=O)c1cn(-c2ccc(C)cc2)c(=O)c2ccccc12 ZINC000064774934 569093421 /nfs/dbraw/zinc/09/34/21/569093421.db2.gz RRUVTYXWNPXWJB-UHFFFAOYSA-N 0 0 419.864 5.180 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)cc1C ZINC000064775087 569093361 /nfs/dbraw/zinc/09/33/61/569093361.db2.gz PNXYRHZMDKOBSF-UHFFFAOYSA-N 0 0 413.546 6.230 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c(C)c1 ZINC000064775088 569093433 /nfs/dbraw/zinc/09/34/33/569093433.db2.gz WKJKZAACRRZVTQ-UHFFFAOYSA-N 0 0 413.546 6.230 50 0 HKAARN Cc1ccc(F)c(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000064775089 569093391 /nfs/dbraw/zinc/09/33/91/569093391.db2.gz TUIWVNCDOZLFNS-UHFFFAOYSA-N 0 0 417.509 6.061 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccc(Cl)c2)C1)Nc1ccccc1 ZINC000064775102 569093363 /nfs/dbraw/zinc/09/33/63/569093363.db2.gz ROSSJYBHQKGVGQ-UHFFFAOYSA-N 0 0 419.937 6.266 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Cl)cc2Cl)n1 ZINC000064775288 569093439 /nfs/dbraw/zinc/09/34/39/569093439.db2.gz QLBSJOGMCAGWNT-UHFFFAOYSA-N 0 0 415.324 5.615 50 0 HKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Cl)c(Cl)c2)n1 ZINC000064775289 569093442 /nfs/dbraw/zinc/09/34/42/569093442.db2.gz DCMYWNAXORBJJW-UHFFFAOYSA-N 0 0 415.324 5.615 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1C ZINC000064775393 569093543 /nfs/dbraw/zinc/09/35/43/569093543.db2.gz MXSTUGKMEUKYGM-UHFFFAOYSA-N 0 0 419.575 6.291 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1F ZINC000064775395 569093469 /nfs/dbraw/zinc/09/34/69/569093469.db2.gz HUHPPTZSOJCOGN-UHFFFAOYSA-N 0 0 423.538 6.122 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)c(C)c1 ZINC000064775396 569093474 /nfs/dbraw/zinc/09/34/74/569093474.db2.gz NWFNILAZYCPXAK-UHFFFAOYSA-N 0 0 419.575 6.291 50 0 HKAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1 ZINC000064775398 569093525 /nfs/dbraw/zinc/09/35/25/569093525.db2.gz ARJMYAWVZQLUSQ-UHFFFAOYSA-N 0 0 419.575 6.237 50 0 HKAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1 ZINC000064775402 569093533 /nfs/dbraw/zinc/09/35/33/569093533.db2.gz AXGOXWMWFGXTOD-UHFFFAOYSA-N 0 0 405.548 5.983 50 0 HKAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccs3)C2)cc1 ZINC000064775403 569093472 /nfs/dbraw/zinc/09/34/72/569093472.db2.gz JKYRTCUYGKPDHU-UHFFFAOYSA-N 0 0 421.547 5.683 50 0 HKAARN O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc(F)cc1 ZINC000064775404 569093502 /nfs/dbraw/zinc/09/35/02/569093502.db2.gz KJCXAMFEFSAXTF-UHFFFAOYSA-N 0 0 409.511 5.814 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1Cl ZINC000064775748 569093645 /nfs/dbraw/zinc/09/36/45/569093645.db2.gz PZZKVDUJJYJAMT-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3ccccc3Cl)CC1)N2 ZINC000064775789 569093576 /nfs/dbraw/zinc/09/35/76/569093576.db2.gz FKWUOJRTEXSWHO-UHFFFAOYSA-N 0 0 419.956 5.233 50 0 biogenic HKAARN Cc1ccccc1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000064787815 569094315 /nfs/dbraw/zinc/09/43/15/569094315.db2.gz HFGMETSFQCRKJI-UHFFFAOYSA-N 0 0 417.509 5.069 50 0 HKAARN Cc1cccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000064787817 569094360 /nfs/dbraw/zinc/09/43/60/569094360.db2.gz BXPAYRZVPRFJEG-UHFFFAOYSA-N 0 0 417.509 5.069 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787988 569094568 /nfs/dbraw/zinc/09/45/68/569094568.db2.gz OMYHUBRJCZWIJV-UHFFFAOYSA-N 0 0 423.925 5.200 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000064787993 569094617 /nfs/dbraw/zinc/09/46/17/569094617.db2.gz BTCSBFSDHAUHDG-UHFFFAOYSA-N 0 0 423.925 5.452 50 0 HKAARN Cc1cc(C)c(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c(C)c1 ZINC000064788026 569094328 /nfs/dbraw/zinc/09/43/28/569094328.db2.gz HGWDREGOWNFALT-UHFFFAOYSA-N 0 0 423.925 5.254 50 0 HKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1ccccc1Cl ZINC000064790103 558965347 /nfs/dbraw/zinc/96/53/47/558965347.db2.gz HSBNJDMWQCZCRH-UHFFFAOYSA-N 0 0 422.941 5.447 50 0 HKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1 ZINC000064790109 558965283 /nfs/dbraw/zinc/96/52/83/558965283.db2.gz GEEXQIKKJGFUSI-UHFFFAOYSA-N 0 0 402.523 5.102 50 0 HKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1C ZINC000064790111 558965387 /nfs/dbraw/zinc/96/53/87/558965387.db2.gz AOCHZRWCMKOSQC-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1C ZINC000064790113 558965402 /nfs/dbraw/zinc/96/54/02/558965402.db2.gz PJVNSFINTJBVJY-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN CCc1ccccc1NC(=O)Cc1c(C)nn(-c2nc(-c3ccccc3)cs2)c1C ZINC000064790114 558965343 /nfs/dbraw/zinc/96/53/43/558965343.db2.gz NOGIFSSNCYZPMU-UHFFFAOYSA-N 0 0 416.550 5.356 50 0 HKAARN CC[C@@H]1CCCCN1C(=O)Cc1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000064790162 558965308 /nfs/dbraw/zinc/96/53/08/558965308.db2.gz MQOYGQZIQIUHNI-HXUWFJFHSA-N 0 0 422.598 5.255 50 0 HKAARN CC[C@H]1CCCCN1C(=O)Cc1c(C)nn(-c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000064790163 558965409 /nfs/dbraw/zinc/96/54/09/558965409.db2.gz MQOYGQZIQIUHNI-FQEVSTJZSA-N 0 0 422.598 5.255 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1 ZINC000064790169 558965546 /nfs/dbraw/zinc/96/55/46/558965546.db2.gz VYAAXJZORQRFQF-UHFFFAOYSA-N 0 0 402.523 5.102 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000064790175 558965550 /nfs/dbraw/zinc/96/55/50/558965550.db2.gz HLGVDGGXJWSQBC-UHFFFAOYSA-N 0 0 420.513 5.241 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1 ZINC000064790188 558965463 /nfs/dbraw/zinc/96/54/63/558965463.db2.gz NQVFLQALAHXHRO-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000064790208 558965521 /nfs/dbraw/zinc/96/55/21/558965521.db2.gz LSHYHFNZQUCUIU-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1C ZINC000064790210 558965583 /nfs/dbraw/zinc/96/55/83/558965583.db2.gz OLSZSQHKDIVFKM-UHFFFAOYSA-N 0 0 416.550 5.411 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000064790232 558965456 /nfs/dbraw/zinc/96/54/56/558965456.db2.gz JPYJQWMSSXHTFG-UHFFFAOYSA-N 0 0 424.476 5.072 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1F ZINC000064790233 558965517 /nfs/dbraw/zinc/96/55/17/558965517.db2.gz MGWYKDAIXACOLK-UHFFFAOYSA-N 0 0 424.476 5.072 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1cccc(C)c1 ZINC000064790241 558965536 /nfs/dbraw/zinc/96/55/36/558965536.db2.gz VLJKPCCNYDESKM-UHFFFAOYSA-N 0 0 420.513 5.241 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000064790255 558965576 /nfs/dbraw/zinc/96/55/76/558965576.db2.gz RXCCFQCZZDCPCZ-UHFFFAOYSA-N 0 0 420.513 5.241 50 0 HKAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)Nc1ccccc1C ZINC000064790256 558965580 /nfs/dbraw/zinc/96/55/80/558965580.db2.gz IVHKLOUYGVHNML-UHFFFAOYSA-N 0 0 420.513 5.241 50 0 HKAARN c1ccc(-c2cc(Nc3ccc4ccccc4c3)n3nc(-c4cccnc4)nc3n2)cc1 ZINC000064791043 569094994 /nfs/dbraw/zinc/09/49/94/569094994.db2.gz MFAHUPAWUJOZIL-UHFFFAOYSA-N 0 0 414.472 5.750 50 0 HKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064794127 569096299 /nfs/dbraw/zinc/09/62/99/569096299.db2.gz XIGZTORINGPSEU-UHFFFAOYSA-N 0 0 401.948 5.103 50 0 HKAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2)n1Cc1ccco1 ZINC000064794346 569096302 /nfs/dbraw/zinc/09/63/02/569096302.db2.gz FUAGJFKIKUQJDM-UHFFFAOYSA-N 0 0 419.535 5.071 50 0 HKAARN O=C1C[C@H](c2cccc3ccccc32)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798112 569096587 /nfs/dbraw/zinc/09/65/87/569096587.db2.gz DMSWOZDVVFRAHI-LJQANCHMSA-N 0 0 419.527 5.208 50 0 HKAARN O=C1C[C@@H](c2cccc3ccccc32)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064798115 569096691 /nfs/dbraw/zinc/09/66/91/569096691.db2.gz DMSWOZDVVFRAHI-IBGZPJMESA-N 0 0 419.527 5.208 50 0 HKAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000064798769 569096674 /nfs/dbraw/zinc/09/66/74/569096674.db2.gz BJLFGNILCOAAJX-INIZCTEOSA-N 0 0 417.939 5.017 50 0 HKAARN Cc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000064798771 569096651 /nfs/dbraw/zinc/09/66/51/569096651.db2.gz BJLFGNILCOAAJX-MRXNPFEDSA-N 0 0 417.939 5.017 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000064800735 569097473 /nfs/dbraw/zinc/09/74/73/569097473.db2.gz VFVBMWHZKHKWPT-UHFFFAOYSA-N 0 0 403.530 5.510 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000064800770 569097402 /nfs/dbraw/zinc/09/74/02/569097402.db2.gz FIMYGMSYSLPBRC-UHFFFAOYSA-N 0 0 416.312 5.520 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000064800776 558965991 /nfs/dbraw/zinc/96/59/91/558965991.db2.gz BBOSGQWMFYDSSW-UHFFFAOYSA-N 0 0 415.419 5.232 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000064800778 569097454 /nfs/dbraw/zinc/09/74/54/569097454.db2.gz OULLCIOUCHKNTL-UHFFFAOYSA-N 0 0 415.419 5.232 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000064800780 569097466 /nfs/dbraw/zinc/09/74/66/569097466.db2.gz PURFBKLSYGPADD-UHFFFAOYSA-N 0 0 415.419 5.232 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064800851 569097529 /nfs/dbraw/zinc/09/75/29/569097529.db2.gz MGEDQBYLUOUTNV-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(N2CCCC2)n1 ZINC000064800852 569097606 /nfs/dbraw/zinc/09/76/06/569097606.db2.gz DMGYOTXODFQARC-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)n1 ZINC000064800857 569097531 /nfs/dbraw/zinc/09/75/31/569097531.db2.gz WXLLVYFSVGZHPZ-UHFFFAOYSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(N2CCCC2)n1 ZINC000064800875 569097517 /nfs/dbraw/zinc/09/75/17/569097517.db2.gz JGRLKMYTTMCMJZ-UHFFFAOYSA-N 0 0 423.520 5.534 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)n1 ZINC000064800884 569097619 /nfs/dbraw/zinc/09/76/19/569097619.db2.gz PYEXWQJFQVSLIQ-UHFFFAOYSA-N 0 0 423.520 5.534 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nc(N2CCCCC2)n1 ZINC000064800914 569097622 /nfs/dbraw/zinc/09/76/22/569097622.db2.gz XOKMBKIJQDQVPF-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064800919 569097546 /nfs/dbraw/zinc/09/75/46/569097546.db2.gz QCGZWFXPBFUIGJ-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1 ZINC000064800922 569097634 /nfs/dbraw/zinc/09/76/34/569097634.db2.gz WUAMXESIRMORFO-UHFFFAOYSA-N 0 0 401.514 5.080 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c(C)c1 ZINC000064800924 569097598 /nfs/dbraw/zinc/09/75/98/569097598.db2.gz ITZSIUVMTPYVRT-UHFFFAOYSA-N 0 0 415.541 5.388 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCCCC2)n1 ZINC000064800926 569097564 /nfs/dbraw/zinc/09/75/64/569097564.db2.gz SEVDQSOHHLXHBQ-UHFFFAOYSA-N 0 0 415.541 5.388 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(N2CCCCC2)n1 ZINC000064800956 569097611 /nfs/dbraw/zinc/09/76/11/569097611.db2.gz LWXVDRPRKJJQHR-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(N2CCCCC2)n1 ZINC000064800957 569097522 /nfs/dbraw/zinc/09/75/22/569097522.db2.gz ZFHKECYJVAAGFB-UHFFFAOYSA-N 0 0 421.932 5.425 50 0 HKAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCCC2)n1 ZINC000064800958 569097591 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/nfs/dbraw/zinc/10/20/58/569102058.db2.gz TXYOVTYPTJDIIL-UHFFFAOYSA-N 0 0 423.532 5.188 50 0 HKAARN Cc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000064818373 569102096 /nfs/dbraw/zinc/10/20/96/569102096.db2.gz HNRCBBJDIZBAGZ-UHFFFAOYSA-N 0 0 415.415 5.084 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCc1cccc(Cl)c1 ZINC000064820059 569102422 /nfs/dbraw/zinc/10/24/22/569102422.db2.gz DNAFVSOFGOXVRY-UHFFFAOYSA-N 0 0 411.708 5.057 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000064820081 569102351 /nfs/dbraw/zinc/10/23/51/569102351.db2.gz JIIVNIKHCJTDJD-UHFFFAOYSA-N 0 0 411.708 5.688 50 0 HKAARN CCOc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1 ZINC000064820114 569102461 /nfs/dbraw/zinc/10/24/61/569102461.db2.gz NEIMPKKZAVLICA-UHFFFAOYSA-N 0 0 407.289 5.125 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1cccc(Cl)c1C ZINC000064820128 569102333 /nfs/dbraw/zinc/10/23/33/569102333.db2.gz IGZBDBSXLJOYEG-UHFFFAOYSA-N 0 0 411.708 5.688 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000064820129 569102390 /nfs/dbraw/zinc/10/23/90/569102390.db2.gz BGYQBGXPTMQGTN-UHFFFAOYSA-N 0 0 411.708 5.688 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000064820140 569102441 /nfs/dbraw/zinc/10/24/41/569102441.db2.gz SIMUQPGBAWSFBQ-UHFFFAOYSA-N 0 0 411.708 5.688 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000064820152 569102588 /nfs/dbraw/zinc/10/25/88/569102588.db2.gz UMRXDCCCGWURII-UHFFFAOYSA-N 0 0 405.317 5.652 50 0 HKAARN CSc1cccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)c1 ZINC000064820159 569102534 /nfs/dbraw/zinc/10/25/34/569102534.db2.gz TVDBDUQOKYCELZ-UHFFFAOYSA-N 0 0 409.330 5.448 50 0 HKAARN CCc1cccc(C)c1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820166 569102543 /nfs/dbraw/zinc/10/25/43/569102543.db2.gz AAOBFMIEBKMNCV-UHFFFAOYSA-N 0 0 405.317 5.597 50 0 HKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000064820169 569102482 /nfs/dbraw/zinc/10/24/82/569102482.db2.gz VJRTVQGYPSACCA-UHFFFAOYSA-N 0 0 405.317 5.850 50 0 HKAARN CCOc1ccccc1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820177 569102513 /nfs/dbraw/zinc/10/25/13/569102513.db2.gz CXCRHEJEUHEWAL-UHFFFAOYSA-N 0 0 407.289 5.125 50 0 HKAARN COc1ccc(C)cc1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820184 569102567 /nfs/dbraw/zinc/10/25/67/569102567.db2.gz KLACWJMYAHELNA-UHFFFAOYSA-N 0 0 407.289 5.043 50 0 HKAARN CSc1ccc(CNC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1 ZINC000064820238 569102498 /nfs/dbraw/zinc/10/24/98/569102498.db2.gz OQWJFXBZBYCCGS-UHFFFAOYSA-N 0 0 423.357 5.126 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2)no1 ZINC000064823444 569102938 /nfs/dbraw/zinc/10/29/38/569102938.db2.gz DONYEHQZQDKPOH-UHFFFAOYSA-N 0 0 418.067 5.306 50 0 HKAARN Cc1cc(-c2cc(C(=O)Nc3cnc(C(C)(C)C)nc3)c3c(C)noc3n2)c(C)s1 ZINC000064823530 569103028 /nfs/dbraw/zinc/10/30/28/569103028.db2.gz XGOKDGBFZWKOCS-UHFFFAOYSA-N 0 0 421.526 5.216 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)Cc1cccc2ccccc21 ZINC000064829149 569103081 /nfs/dbraw/zinc/10/30/81/569103081.db2.gz 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569104628 /nfs/dbraw/zinc/10/46/28/569104628.db2.gz DIVIXEUVRALMTK-UHFFFAOYSA-N 0 0 410.417 5.086 50 0 HKAARN CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1c1ccccc1oc2=O ZINC000064839000 569106412 /nfs/dbraw/zinc/10/64/12/569106412.db2.gz HRCMLNVTPYRHQZ-UHFFFAOYSA-N 0 0 400.356 5.039 50 0 HKAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1Cl ZINC000064839947 569105377 /nfs/dbraw/zinc/10/53/77/569105377.db2.gz YDHKZTXMZRCSLE-UHFFFAOYSA-N 0 0 405.285 5.058 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 ZINC000064839957 569105346 /nfs/dbraw/zinc/10/53/46/569105346.db2.gz MCZNTAIHSDQYGW-UHFFFAOYSA-N 0 0 405.285 5.058 50 0 HKAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000064840082 569105469 /nfs/dbraw/zinc/10/54/69/569105469.db2.gz ALQXBRJVRBDUSX-UHFFFAOYSA-N 0 0 405.285 5.058 50 0 HKAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000064840087 569105487 /nfs/dbraw/zinc/10/54/87/569105487.db2.gz AWPZPWYTZRJOGF-UHFFFAOYSA-N 0 0 405.285 5.058 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064840099 569105503 /nfs/dbraw/zinc/10/55/03/569105503.db2.gz UZAAYAZITRWDLR-UHFFFAOYSA-N 0 0 405.285 5.058 50 0 HKAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000064840110 569105483 /nfs/dbraw/zinc/10/54/83/569105483.db2.gz KHFCDWOUZWWLGG-UHFFFAOYSA-N 0 0 424.810 5.115 50 0 HKAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064840126 569105462 /nfs/dbraw/zinc/10/54/62/569105462.db2.gz VQLGHVGSUWLZMS-UHFFFAOYSA-N 0 0 424.810 5.115 50 0 HKAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4cccc5ccccc54)CC3)nn2)c1 ZINC000064844361 569107848 /nfs/dbraw/zinc/10/78/48/569107848.db2.gz ICZJSGGARQCDIU-UHFFFAOYSA-N 0 0 422.532 5.460 50 0 HKAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(Br)o1 ZINC000064844857 569107916 /nfs/dbraw/zinc/10/79/16/569107916.db2.gz JPMXYGSAVXPSDT-UHFFFAOYSA-N 0 0 402.248 5.002 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc2c(c1)CCCN2C ZINC000064845011 569107995 /nfs/dbraw/zinc/10/79/95/569107995.db2.gz BWDFBGKVIXLBCP-UHFFFAOYSA-N 0 0 405.445 5.258 50 0 HKAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)cc2Cl)c1C ZINC000064845804 569108228 /nfs/dbraw/zinc/10/82/28/569108228.db2.gz CWJXPVILVSPEAJ-UHFFFAOYSA-N 0 0 410.948 5.399 50 0 HKAARN Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000064847681 569107212 /nfs/dbraw/zinc/10/72/12/569107212.db2.gz APZRZSKUVOMGNY-QGZVFWFLSA-N 0 0 413.949 5.476 50 0 HKAARN Cc1ccc(NC(=O)N2CCC([C@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000064847684 569107236 /nfs/dbraw/zinc/10/72/36/569107236.db2.gz APZRZSKUVOMGNY-KRWDZBQOSA-N 0 0 413.949 5.476 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000064847799 569107304 /nfs/dbraw/zinc/10/73/04/569107304.db2.gz ATOLYOJDVAILRV-KRWDZBQOSA-N 0 0 413.949 5.476 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000064847802 569107360 /nfs/dbraw/zinc/10/73/60/569107360.db2.gz ATOLYOJDVAILRV-QGZVFWFLSA-N 0 0 413.949 5.476 50 0 HKAARN C[C@H](C(=O)Nc1c(F)cccc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847821 569107336 /nfs/dbraw/zinc/10/73/36/569107336.db2.gz JOOOSPYKAULLEL-ZDUSSCGKSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@@H](C(=O)Nc1c(F)cccc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847823 569107349 /nfs/dbraw/zinc/10/73/49/569107349.db2.gz JOOOSPYKAULLEL-CYBMUJFWSA-N 0 0 421.875 5.137 50 0 HKAARN Cc1cc(F)ccc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847829 569107381 /nfs/dbraw/zinc/10/73/81/569107381.db2.gz OODJMZDOMJSCEY-HNNXBMFYSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1cc(F)ccc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847831 569107331 /nfs/dbraw/zinc/10/73/31/569107331.db2.gz OODJMZDOMJSCEY-OAHLLOKOSA-N 0 0 417.912 5.306 50 0 HKAARN C[C@H](C(=O)Nc1ccc(F)cc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847838 569107297 /nfs/dbraw/zinc/10/72/97/569107297.db2.gz KUJUDCRGUPHNGG-ZDUSSCGKSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847841 569107302 /nfs/dbraw/zinc/10/73/02/569107302.db2.gz KUJUDCRGUPHNGG-CYBMUJFWSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@H](C(=O)Nc1cc(F)ccc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847842 569107362 /nfs/dbraw/zinc/10/73/62/569107362.db2.gz RRGZVZIDOBZTPL-ZDUSSCGKSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847844 569107329 /nfs/dbraw/zinc/10/73/29/569107329.db2.gz RRGZVZIDOBZTPL-CYBMUJFWSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847846 569107289 /nfs/dbraw/zinc/10/72/89/569107289.db2.gz COXAKCLMLRRFTM-ZDUSSCGKSA-N 0 0 421.875 5.137 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847849 569107294 /nfs/dbraw/zinc/10/72/94/569107294.db2.gz COXAKCLMLRRFTM-CYBMUJFWSA-N 0 0 421.875 5.137 50 0 HKAARN Cc1cc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)ccc1F ZINC000064847851 569107277 /nfs/dbraw/zinc/10/72/77/569107277.db2.gz YQUHKSLVNSUEIS-HNNXBMFYSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1cc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)ccc1F ZINC000064847853 569107319 /nfs/dbraw/zinc/10/73/19/569107319.db2.gz YQUHKSLVNSUEIS-OAHLLOKOSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1c(F)cccc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847855 569107285 /nfs/dbraw/zinc/10/72/85/569107285.db2.gz UEMBHMYFFFXWBC-AWEZNQCLSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1c(F)cccc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847858 569107353 /nfs/dbraw/zinc/10/73/53/569107353.db2.gz UEMBHMYFFFXWBC-CQSZACIVSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1ccc(F)c(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847860 569107306 /nfs/dbraw/zinc/10/73/06/569107306.db2.gz QMFLYQAMBGKFDG-HNNXBMFYSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1ccc(F)c(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847862 569107279 /nfs/dbraw/zinc/10/72/79/569107279.db2.gz QMFLYQAMBGKFDG-OAHLLOKOSA-N 0 0 417.912 5.306 50 0 HKAARN CCc1ccccc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847892 569107315 /nfs/dbraw/zinc/10/73/15/569107315.db2.gz UHAWSDGJQQAUEB-INIZCTEOSA-N 0 0 413.949 5.421 50 0 HKAARN CCc1ccccc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847894 569107325 /nfs/dbraw/zinc/10/73/25/569107325.db2.gz UHAWSDGJQQAUEB-MRXNPFEDSA-N 0 0 413.949 5.421 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847936 569107327 /nfs/dbraw/zinc/10/73/27/569107327.db2.gz BCAGUZLQJBKRHI-AWEZNQCLSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847937 569107369 /nfs/dbraw/zinc/10/73/69/569107369.db2.gz BCAGUZLQJBKRHI-CQSZACIVSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000064847939 569107378 /nfs/dbraw/zinc/10/73/78/569107378.db2.gz SJOOLXOFVGZHPC-HNNXBMFYSA-N 0 0 417.912 5.306 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000064847941 569107367 /nfs/dbraw/zinc/10/73/67/569107367.db2.gz SJOOLXOFVGZHPC-OAHLLOKOSA-N 0 0 417.912 5.306 50 0 HKAARN CC[C@H](C(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12)c1ccccc1 ZINC000064848236 569107486 /nfs/dbraw/zinc/10/74/86/569107486.db2.gz PRWGFNDHZGBMEN-FQEVSTJZSA-N 0 0 403.501 5.053 50 0 biogenic HKAARN CC[C@@H](C(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12)c1ccccc1 ZINC000064848239 569107455 /nfs/dbraw/zinc/10/74/55/569107455.db2.gz PRWGFNDHZGBMEN-HXUWFJFHSA-N 0 0 403.501 5.053 50 0 biogenic HKAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848288 569107497 /nfs/dbraw/zinc/10/74/97/569107497.db2.gz JTOBRGZVFWJXJO-UHFFFAOYSA-N 0 0 412.320 5.341 50 0 biogenic HKAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848292 569107583 /nfs/dbraw/zinc/10/75/83/569107583.db2.gz BXHSPUZXMDLEJD-UHFFFAOYSA-N 0 0 412.320 5.341 50 0 biogenic HKAARN CC[C@H](C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12)c1ccccc1 ZINC000064848314 569107564 /nfs/dbraw/zinc/10/75/64/569107564.db2.gz FLKAHPSTALSRSD-FQEVSTJZSA-N 0 0 419.956 5.568 50 0 biogenic HKAARN CC[C@@H](C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12)c1ccccc1 ZINC000064848317 569107542 /nfs/dbraw/zinc/10/75/42/569107542.db2.gz FLKAHPSTALSRSD-HXUWFJFHSA-N 0 0 419.956 5.568 50 0 biogenic HKAARN O=C(CCc1ccccc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858460 569108918 /nfs/dbraw/zinc/10/89/18/569108918.db2.gz SQBQWTDNVBMABB-UHFFFAOYSA-N 0 0 405.929 5.007 50 0 biogenic HKAARN CCOc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064858463 569108970 /nfs/dbraw/zinc/10/89/70/569108970.db2.gz LLILKFVJISCJAB-UHFFFAOYSA-N 0 0 421.928 5.086 50 0 biogenic HKAARN CCOc1ccccc1C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858467 569108946 /nfs/dbraw/zinc/10/89/46/569108946.db2.gz JKQDNMLWYNAXQW-UHFFFAOYSA-N 0 0 421.928 5.086 50 0 biogenic HKAARN O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858477 569108966 /nfs/dbraw/zinc/10/89/66/569108966.db2.gz LIUHTUQJQQMQLI-UHFFFAOYSA-N 0 0 412.320 5.341 50 0 biogenic HKAARN O=C(CSc1ccccc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858483 569109035 /nfs/dbraw/zinc/10/90/35/569109035.db2.gz XFWVBQJYFFLSSD-UHFFFAOYSA-N 0 0 423.969 5.166 50 0 biogenic HKAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1F ZINC000064858513 569109236 /nfs/dbraw/zinc/10/92/36/569109236.db2.gz NXZJAXWRRPBTNO-UHFFFAOYSA-N 0 0 409.892 5.135 50 0 biogenic HKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)N2 ZINC000064858525 569109241 /nfs/dbraw/zinc/10/92/41/569109241.db2.gz VYLUYYCOYRFIOR-UHFFFAOYSA-N 0 0 405.929 5.305 50 0 biogenic HKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccc(Cl)c3)CC1)N2 ZINC000064858542 569109240 /nfs/dbraw/zinc/10/92/40/569109240.db2.gz YZZSZHOTCPQEKN-UHFFFAOYSA-N 0 0 405.929 5.305 50 0 biogenic HKAARN CC[C@H](C(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12)c1ccccc1 ZINC000064858588 569109219 /nfs/dbraw/zinc/10/92/19/569109219.db2.gz WKDGFOHHYSUJGX-QFIPXVFZSA-N 0 0 413.565 5.531 50 0 biogenic HKAARN CC[C@@H](C(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12)c1ccccc1 ZINC000064858594 569109204 /nfs/dbraw/zinc/10/92/04/569109204.db2.gz WKDGFOHHYSUJGX-JOCHJYFZSA-N 0 0 413.565 5.531 50 0 biogenic HKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3Cl)CC1)N2 ZINC000064858627 569109233 /nfs/dbraw/zinc/10/92/33/569109233.db2.gz QULZMPUGZWOSIO-UHFFFAOYSA-N 0 0 405.929 5.305 50 0 biogenic HKAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1F ZINC000064858654 569109249 /nfs/dbraw/zinc/10/92/49/569109249.db2.gz BHQQYMUVBVQFRD-UHFFFAOYSA-N 0 0 403.501 5.099 50 0 biogenic HKAARN CCOc1ccc(NC(=O)N2CCc3nc(-c4ccc(OCC)cc4)sc3C2)cc1 ZINC000064868017 569111945 /nfs/dbraw/zinc/11/19/45/569111945.db2.gz GPMBXKHQWNTKME-UHFFFAOYSA-N 0 0 423.538 5.198 50 0 HKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)ccc2OC)CC3)cc1 ZINC000064868035 569111940 /nfs/dbraw/zinc/11/19/40/569111940.db2.gz DNWLIVFBTLVWTM-UHFFFAOYSA-N 0 0 423.538 5.116 50 0 HKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)cc1OC ZINC000064868088 569111933 /nfs/dbraw/zinc/11/19/33/569111933.db2.gz SRHNSEUVTREEBR-UHFFFAOYSA-N 0 0 423.538 5.034 50 0 HKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)ccc2C)CC3)cc1OC ZINC000064868092 569111926 /nfs/dbraw/zinc/11/19/26/569111926.db2.gz BURHLZPTSSUXSO-UHFFFAOYSA-N 0 0 423.538 5.034 50 0 HKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2C)CC3)cc1OC ZINC000064868151 569111950 /nfs/dbraw/zinc/11/19/50/569111950.db2.gz BUBZFEXANWRHGB-UHFFFAOYSA-N 0 0 423.538 5.034 50 0 HKAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(C(C)C)cc2)=Nc2ccccc2N1 ZINC000064869468 569112185 /nfs/dbraw/zinc/11/21/85/569112185.db2.gz JNUMVOQQVMHTRD-UHFFFAOYSA-N 0 0 423.538 5.084 50 0 HKAARN COC(=O)CC1=CC(SCc2cccc(C(F)(F)F)c2)=Nc2ccccc2N1 ZINC000064869567 569112265 /nfs/dbraw/zinc/11/22/65/569112265.db2.gz LUFHQSLTKGNSJY-UHFFFAOYSA-N 0 0 406.429 5.541 50 0 HKAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(C)cc1 ZINC000064869572 569112253 /nfs/dbraw/zinc/11/22/53/569112253.db2.gz VVFJOXKCYPXALJ-FQEVSTJZSA-N 0 0 423.538 5.048 50 0 HKAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(C)cc1 ZINC000064869574 569112286 /nfs/dbraw/zinc/11/22/86/569112286.db2.gz VVFJOXKCYPXALJ-HXUWFJFHSA-N 0 0 423.538 5.048 50 0 HKAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccccc1C ZINC000064869605 569112272 /nfs/dbraw/zinc/11/22/72/569112272.db2.gz MQFGCOWYOSYRDR-FQEVSTJZSA-N 0 0 423.538 5.048 50 0 HKAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccccc1C ZINC000064869606 569112281 /nfs/dbraw/zinc/11/22/81/569112281.db2.gz MQFGCOWYOSYRDR-HXUWFJFHSA-N 0 0 423.538 5.048 50 0 HKAARN CCOC(=O)CC1=CC(SCc2cccc(C(F)(F)F)c2)=Nc2ccccc2N1 ZINC000064869817 569112379 /nfs/dbraw/zinc/11/23/79/569112379.db2.gz IPRFRZDQPWQYLD-UHFFFAOYSA-N 0 0 420.456 5.931 50 0 HKAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2cccc(C)c2)=Nc2ccccc2N1 ZINC000064869890 569112337 /nfs/dbraw/zinc/11/23/37/569112337.db2.gz HSNZTKGQXJIWHB-INIZCTEOSA-N 0 0 423.538 5.048 50 0 HKAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2cccc(C)c2)=Nc2ccccc2N1 ZINC000064869892 569112369 /nfs/dbraw/zinc/11/23/69/569112369.db2.gz HSNZTKGQXJIWHB-MRXNPFEDSA-N 0 0 423.538 5.048 50 0 HKAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccccc2C)=Nc2ccccc2N1 ZINC000064869902 569112396 /nfs/dbraw/zinc/11/23/96/569112396.db2.gz VZXKYCXGQCVVQX-INIZCTEOSA-N 0 0 423.538 5.048 50 0 HKAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccccc2C)=Nc2ccccc2N1 ZINC000064869904 569112335 /nfs/dbraw/zinc/11/23/35/569112335.db2.gz VZXKYCXGQCVVQX-MRXNPFEDSA-N 0 0 423.538 5.048 50 0 HKAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)Nc2ccccc2)=Nc2ccccc2N1 ZINC000064869914 569112362 /nfs/dbraw/zinc/11/23/62/569112362.db2.gz OYGSNJLMEKNNJY-FQEVSTJZSA-N 0 0 423.538 5.130 50 0 HKAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)Nc2ccccc2)=Nc2ccccc2N1 ZINC000064869917 569112331 /nfs/dbraw/zinc/11/23/31/569112331.db2.gz OYGSNJLMEKNNJY-HXUWFJFHSA-N 0 0 423.538 5.130 50 0 HKAARN O=C(Nc1cccc(Br)c1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872234 569113871 /nfs/dbraw/zinc/11/38/71/569113871.db2.gz JWXUKEVDDAVPIZ-UHFFFAOYSA-N 0 0 423.335 6.221 50 0 HKAARN O=C(Nc1ccc(Br)cc1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872236 559276932 /nfs/dbraw/zinc/27/69/32/559276932.db2.gz MGOIQMLNMGAXBS-UHFFFAOYSA-N 0 0 423.335 6.221 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872238 569113870 /nfs/dbraw/zinc/11/38/70/569113870.db2.gz MLBSOIRXLGVCJF-UHFFFAOYSA-N 0 0 412.436 6.477 50 0 HKAARN COc1cc(Cl)c(C)cc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064872246 569113901 /nfs/dbraw/zinc/11/39/01/569113901.db2.gz NTBFXDDJYWFTBX-UHFFFAOYSA-N 0 0 422.937 6.429 50 0 HKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(C(C)C)cc3)c2-n2cccc2)c1 ZINC000064872261 569113890 /nfs/dbraw/zinc/11/38/90/569113890.db2.gz SKOOCGLKIGCOIX-UHFFFAOYSA-N 0 0 400.547 6.890 50 0 HKAARN CCCCc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064872263 569113872 /nfs/dbraw/zinc/11/38/72/569113872.db2.gz GRCOFNSAXCWVRL-UHFFFAOYSA-N 0 0 414.574 7.109 50 0 HKAARN Cc1cccc(-c2csc(C(=O)Nc3cccc4c3CCCC4)c2-n2cccc2)c1 ZINC000064872265 569113883 /nfs/dbraw/zinc/11/38/83/569113883.db2.gz HRGDMWSRCUJAFK-UHFFFAOYSA-N 0 0 412.558 6.645 50 0 HKAARN CSc1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 ZINC000064872271 569113906 /nfs/dbraw/zinc/11/39/06/569113906.db2.gz IEWYZPJEHHJMEL-UHFFFAOYSA-N 0 0 404.560 6.488 50 0 HKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2-n2cccc2)c1 ZINC000064872286 569113884 /nfs/dbraw/zinc/11/38/84/569113884.db2.gz BQPCMJORMLCODM-UHFFFAOYSA-N 0 0 406.938 6.728 50 0 HKAARN COc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1Cl ZINC000064872289 569113924 /nfs/dbraw/zinc/11/39/24/569113924.db2.gz WDGWUFTYUZIMJO-UHFFFAOYSA-N 0 0 422.937 6.429 50 0 HKAARN CCCCc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064872293 569113897 /nfs/dbraw/zinc/11/38/97/569113897.db2.gz MJMHIZOIFAJDFX-UHFFFAOYSA-N 0 0 414.574 7.109 50 0 HKAARN CSc1cccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064872301 569113896 /nfs/dbraw/zinc/11/38/96/569113896.db2.gz QJPLKMXGJQKPRO-UHFFFAOYSA-N 0 0 404.560 6.488 50 0 HKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(F)c(Cl)c3)c2-n2cccc2)cc1 ZINC000064872302 569113889 /nfs/dbraw/zinc/11/38/89/569113889.db2.gz YWHFUTNZXKVLGS-UHFFFAOYSA-N 0 0 410.901 6.559 50 0 HKAARN CSc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064872314 569113882 /nfs/dbraw/zinc/11/38/82/569113882.db2.gz DVVPYZXZTOBDNI-UHFFFAOYSA-N 0 0 418.587 6.166 50 0 HKAARN CC(C)c1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000064872328 569113900 /nfs/dbraw/zinc/11/39/00/569113900.db2.gz CIDAGCHLWUUIKO-UHFFFAOYSA-N 0 0 404.510 6.721 50 0 HKAARN CCCCc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000064872330 569113908 /nfs/dbraw/zinc/11/39/08/569113908.db2.gz JHWAZSROCIPKIG-UHFFFAOYSA-N 0 0 418.537 6.940 50 0 HKAARN CSc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000064872336 569113922 /nfs/dbraw/zinc/11/39/22/569113922.db2.gz RSSNJDXKUGHRMT-UHFFFAOYSA-N 0 0 408.523 6.319 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872342 569113876 /nfs/dbraw/zinc/11/38/76/569113876.db2.gz KWQDMPVDHUUSPZ-UHFFFAOYSA-N 0 0 414.864 6.390 50 0 HKAARN Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000064872347 569113917 /nfs/dbraw/zinc/11/39/17/569113917.db2.gz GHLHTAPRDJWISM-UHFFFAOYSA-N 0 0 410.901 6.559 50 0 HKAARN CSc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000064872359 569113893 /nfs/dbraw/zinc/11/38/93/569113893.db2.gz FNUJMERGJLJTKX-UHFFFAOYSA-N 0 0 422.550 5.997 50 0 HKAARN CSc1cccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 ZINC000064872366 569113905 /nfs/dbraw/zinc/11/39/05/569113905.db2.gz PNEPSFLSRYYNGM-UHFFFAOYSA-N 0 0 424.978 6.833 50 0 HKAARN O=C(NC1CCCCCCC1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064872371 569114008 /nfs/dbraw/zinc/11/40/08/569114008.db2.gz CYJVZCVOWDZNSU-UHFFFAOYSA-N 0 0 412.986 6.702 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1Cl ZINC000064872392 569114020 /nfs/dbraw/zinc/11/40/20/569114020.db2.gz NVOBCOHKWVGZNE-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064872406 569113998 /nfs/dbraw/zinc/11/39/98/569113998.db2.gz VKOUMNUBXJDDGL-UHFFFAOYSA-N 0 0 418.516 5.261 50 0 HKAARN CCCCc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000064872515 569113741 /nfs/dbraw/zinc/11/37/41/569113741.db2.gz IFQNOZDASRVZED-UHFFFAOYSA-N 0 0 414.553 5.341 50 0 HKAARN CC(C)c1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000064872530 569113667 /nfs/dbraw/zinc/11/36/67/569113667.db2.gz BSPIQBDIQQKRLM-UHFFFAOYSA-N 0 0 400.526 5.122 50 0 HKAARN O=C(Nc1cccc2ccccc21)C1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000064872571 569113755 /nfs/dbraw/zinc/11/37/55/569113755.db2.gz UOIWFBWLRIICHG-UHFFFAOYSA-N 0 0 408.505 5.152 50 0 HKAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)c1 ZINC000064872666 569113708 /nfs/dbraw/zinc/11/37/08/569113708.db2.gz VCOGKGQFNLSFDD-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)ncn2)c1 ZINC000064872681 569113725 /nfs/dbraw/zinc/11/37/25/569113725.db2.gz FCSCWJRDEUJTAN-UHFFFAOYSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)c1 ZINC000064872698 569113733 /nfs/dbraw/zinc/11/37/33/569113733.db2.gz IGEYSLRJTVPDEE-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4cccc5ccccc54)CC3)ncn2)c1 ZINC000064872723 569113682 /nfs/dbraw/zinc/11/36/82/569113682.db2.gz KRVNBDLMTJAMRZ-UHFFFAOYSA-N 0 0 422.532 5.460 50 0 HKAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)cc1 ZINC000064872799 569113775 /nfs/dbraw/zinc/11/37/75/569113775.db2.gz PXVLEXJGCRECTI-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)ncn2)cc1 ZINC000064872813 569113780 /nfs/dbraw/zinc/11/37/80/569113780.db2.gz AVCFHDYBZGHYIU-UHFFFAOYSA-N 0 0 414.553 5.431 50 0 HKAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)cc1 ZINC000064872835 569113784 /nfs/dbraw/zinc/11/37/84/569113784.db2.gz TVIQABNSPRQGFL-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4cccc5ccccc54)CC3)ncn2)cc1 ZINC000064872854 569113793 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50 0 HKAARN Cc1cccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc43)n2)c1 ZINC000064949886 558967919 /nfs/dbraw/zinc/96/79/19/558967919.db2.gz OQYGFGAIJXLNNJ-UHFFFAOYSA-N 0 0 414.852 5.065 50 0 HKAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949889 569129620 /nfs/dbraw/zinc/12/96/20/569129620.db2.gz NXDLTAVQFBLSDX-UHFFFAOYSA-N 0 0 414.852 5.065 50 0 HKAARN Cc1ccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1C ZINC000064950015 558967860 /nfs/dbraw/zinc/96/78/60/558967860.db2.gz OADFLHUUWOABAC-UHFFFAOYSA-N 0 0 408.461 5.028 50 0 HKAARN Cc1cccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)c1 ZINC000064950017 558967912 /nfs/dbraw/zinc/96/79/12/558967912.db2.gz WGEICSJURURDGV-UHFFFAOYSA-N 0 0 408.461 5.028 50 0 HKAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064950019 558967884 /nfs/dbraw/zinc/96/78/84/558967884.db2.gz NZEWCFTXOVSZAN-UHFFFAOYSA-N 0 0 408.461 5.028 50 0 HKAARN CCc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064950045 558967857 /nfs/dbraw/zinc/96/78/57/558967857.db2.gz DQTAVGFGOOGCID-UHFFFAOYSA-N 0 0 422.488 5.282 50 0 HKAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc43)n2)cc1C ZINC000064950049 569129771 /nfs/dbraw/zinc/12/97/71/569129771.db2.gz HJLHHAYPCFNQCS-UHFFFAOYSA-N 0 0 422.488 5.336 50 0 HKAARN CCc1ccc(-c2noc(-c3nn(-c4ccc(CC)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064950090 558967878 /nfs/dbraw/zinc/96/78/78/558967878.db2.gz LXIMWLQDTALBJU-UHFFFAOYSA-N 0 0 422.488 5.228 50 0 HKAARN CCc1ccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000064950098 569129813 /nfs/dbraw/zinc/12/98/13/569129813.db2.gz CMOVLCNTTRWWHX-UHFFFAOYSA-N 0 0 422.488 5.282 50 0 HKAARN Cc1ccccc1-n1nc(-c2nc(-c3ccccc3Cl)no2)c2ccccc2c1=O ZINC000064950194 558968056 /nfs/dbraw/zinc/96/80/56/558968056.db2.gz OGBKXGFCBUWTKW-UHFFFAOYSA-N 0 0 414.852 5.065 50 0 HKAARN Cc1ccccc1-n1nc(-c2nc(-c3ccc(Cl)cc3)no2)c2ccccc2c1=O ZINC000064950196 558968028 /nfs/dbraw/zinc/96/80/28/558968028.db2.gz HNZNCYQUMJIOBM-UHFFFAOYSA-N 0 0 414.852 5.065 50 0 HKAARN Cc1ccccc1-n1nc(-c2nc(-c3cccc(Cl)c3)no2)c2ccccc2c1=O ZINC000064950205 558968030 /nfs/dbraw/zinc/96/80/30/558968030.db2.gz OORMWIFMONDSNE-UHFFFAOYSA-N 0 0 414.852 5.065 50 0 HKAARN Cc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc43)n2)cc1C ZINC000064950212 558967968 /nfs/dbraw/zinc/96/79/68/558967968.db2.gz IVNBRCLTUBIGTI-UHFFFAOYSA-N 0 0 408.461 5.028 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000064951344 569130410 /nfs/dbraw/zinc/13/04/10/569130410.db2.gz GZDYEWKIFOOHRT-UHFFFAOYSA-N 0 0 406.338 5.485 50 0 HKAARN O=C(NCCCc1ccccc1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955597 569133622 /nfs/dbraw/zinc/13/36/22/569133622.db2.gz RKZFKTKFBAIOHE-UHFFFAOYSA-N 0 0 403.913 5.101 50 0 HKAARN C[C@@H](CNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1 ZINC000064955615 569133661 /nfs/dbraw/zinc/13/36/61/569133661.db2.gz YJLGNKOPZBOTNZ-KRWDZBQOSA-N 0 0 403.913 5.272 50 0 HKAARN C[C@H](CNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1 ZINC000064955617 569133659 /nfs/dbraw/zinc/13/36/59/569133659.db2.gz YJLGNKOPZBOTNZ-QGZVFWFLSA-N 0 0 403.913 5.272 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955620 569133640 /nfs/dbraw/zinc/13/36/40/569133640.db2.gz PAOGFOXIKUHZGS-SFHVURJKSA-N 0 0 417.940 5.489 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955622 569133638 /nfs/dbraw/zinc/13/36/38/569133638.db2.gz PAOGFOXIKUHZGS-GOSISDBHSA-N 0 0 417.940 5.489 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955631 569133646 /nfs/dbraw/zinc/13/36/46/569133646.db2.gz NAOAKZVPHCOEJA-QHCPKHFHSA-N 0 0 415.924 5.545 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955632 569133618 /nfs/dbraw/zinc/13/36/18/569133618.db2.gz NAOAKZVPHCOEJA-HSZRJFAPSA-N 0 0 415.924 5.545 50 0 HKAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955637 569133636 /nfs/dbraw/zinc/13/36/36/569133636.db2.gz NYPVWLARELXNIF-INIZCTEOSA-N 0 0 419.912 5.238 50 0 HKAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955640 569133648 /nfs/dbraw/zinc/13/36/48/569133648.db2.gz NYPVWLARELXNIF-MRXNPFEDSA-N 0 0 419.912 5.238 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c(C)c1 ZINC000064955641 569133597 /nfs/dbraw/zinc/13/35/97/569133597.db2.gz WBPGGOUXTMDNFQ-GOSISDBHSA-N 0 0 417.940 5.846 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c(C)c1 ZINC000064955643 569133586 /nfs/dbraw/zinc/13/35/86/569133586.db2.gz WBPGGOUXTMDNFQ-SFHVURJKSA-N 0 0 417.940 5.846 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1C ZINC000064955645 569133590 /nfs/dbraw/zinc/13/35/90/569133590.db2.gz XJQAVFLGCKFZKQ-GOSISDBHSA-N 0 0 417.940 5.846 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1C ZINC000064955646 569133595 /nfs/dbraw/zinc/13/35/95/569133595.db2.gz XJQAVFLGCKFZKQ-SFHVURJKSA-N 0 0 417.940 5.846 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955648 569133674 /nfs/dbraw/zinc/13/36/74/569133674.db2.gz KVEVDDKKTYSBDC-QGZVFWFLSA-N 0 0 403.913 5.537 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955650 569133655 /nfs/dbraw/zinc/13/36/55/569133655.db2.gz KVEVDDKKTYSBDC-KRWDZBQOSA-N 0 0 403.913 5.537 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 ZINC000064955651 569133603 /nfs/dbraw/zinc/13/36/03/569133603.db2.gz SOUWPQNMMMYSOX-INIZCTEOSA-N 0 0 419.912 5.238 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 ZINC000064955653 569133593 /nfs/dbraw/zinc/13/35/93/569133593.db2.gz SOUWPQNMMMYSOX-MRXNPFEDSA-N 0 0 419.912 5.238 50 0 HKAARN C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 ZINC000064955659 569133610 /nfs/dbraw/zinc/13/36/10/569133610.db2.gz WHQSHAYKDWKOGC-HNNXBMFYSA-N 0 0 407.876 5.368 50 0 HKAARN C[C@@H](NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 ZINC000064955662 569133631 /nfs/dbraw/zinc/13/36/31/569133631.db2.gz WHQSHAYKDWKOGC-OAHLLOKOSA-N 0 0 407.876 5.368 50 0 HKAARN CCc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955668 569133612 /nfs/dbraw/zinc/13/36/12/569133612.db2.gz VVAVUJFRKXOESH-QGZVFWFLSA-N 0 0 417.940 5.791 50 0 HKAARN CCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955670 569133672 /nfs/dbraw/zinc/13/36/72/569133672.db2.gz VVAVUJFRKXOESH-KRWDZBQOSA-N 0 0 417.940 5.791 50 0 HKAARN CCOc1ccccc1CNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955690 569133666 /nfs/dbraw/zinc/13/36/66/569133666.db2.gz XLXPCEHPZWOYCK-UHFFFAOYSA-N 0 0 419.912 5.067 50 0 HKAARN CSc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955697 569133625 /nfs/dbraw/zinc/13/36/25/569133625.db2.gz UFMUYZUNJYDLQI-UHFFFAOYSA-N 0 0 421.953 5.390 50 0 HKAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955698 569133652 /nfs/dbraw/zinc/13/36/52/569133652.db2.gz VZBXJYMZTAEIAY-UHFFFAOYSA-N 0 0 419.912 5.067 50 0 HKAARN CCc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955708 569133588 /nfs/dbraw/zinc/13/35/88/569133588.db2.gz LDDFMDACHQPQFG-UHFFFAOYSA-N 0 0 403.913 5.230 50 0 HKAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(C)c(C)c4)cc32)c1 ZINC000064955740 569133620 /nfs/dbraw/zinc/13/36/20/569133620.db2.gz OFIJCWGJCXSNCJ-LJQANCHMSA-N 0 0 413.521 5.201 50 0 HKAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(C)c(C)c4)cc32)c1 ZINC000064955742 569133668 /nfs/dbraw/zinc/13/36/68/569133668.db2.gz OFIJCWGJCXSNCJ-IBGZPJMESA-N 0 0 413.521 5.201 50 0 HKAARN CCc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064955762 569133721 /nfs/dbraw/zinc/13/37/21/569133721.db2.gz PPOVNQYDEQPYNK-GOSISDBHSA-N 0 0 413.521 5.147 50 0 HKAARN CCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064955764 569133715 /nfs/dbraw/zinc/13/37/15/569133715.db2.gz PPOVNQYDEQPYNK-SFHVURJKSA-N 0 0 413.521 5.147 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)c(C)c1 ZINC000064955845 569133767 /nfs/dbraw/zinc/13/37/67/569133767.db2.gz IPTMSWZGPCUQFJ-GOSISDBHSA-N 0 0 401.485 5.332 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)c(C)c1 ZINC000064955847 569133732 /nfs/dbraw/zinc/13/37/32/569133732.db2.gz IPTMSWZGPCUQFJ-SFHVURJKSA-N 0 0 401.485 5.332 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1C ZINC000064955849 569133724 /nfs/dbraw/zinc/13/37/24/569133724.db2.gz SIBHUEYUZAYHMV-GOSISDBHSA-N 0 0 401.485 5.332 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1C ZINC000064955851 569133706 /nfs/dbraw/zinc/13/37/06/569133706.db2.gz SIBHUEYUZAYHMV-SFHVURJKSA-N 0 0 401.485 5.332 50 0 HKAARN CCc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955870 569133687 /nfs/dbraw/zinc/13/36/87/569133687.db2.gz VTTLPFJTEJOPBT-QGZVFWFLSA-N 0 0 401.485 5.277 50 0 HKAARN CCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955875 569133731 /nfs/dbraw/zinc/13/37/31/569133731.db2.gz VTTLPFJTEJOPBT-KRWDZBQOSA-N 0 0 401.485 5.277 50 0 HKAARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955876 569133723 /nfs/dbraw/zinc/13/37/23/569133723.db2.gz IAPAWCFHGXVBIC-GOSISDBHSA-N 0 0 415.512 5.838 50 0 HKAARN CC(C)c1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955878 569133740 /nfs/dbraw/zinc/13/37/40/569133740.db2.gz IAPAWCFHGXVBIC-SFHVURJKSA-N 0 0 415.512 5.838 50 0 HKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(C(C)C)cc4)cc32)cc1 ZINC000064955974 569133709 /nfs/dbraw/zinc/13/37/09/569133709.db2.gz DARATFFISLKGFT-FQEVSTJZSA-N 0 0 411.549 6.007 50 0 HKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(C(C)C)cc4)cc32)cc1 ZINC000064955975 569133747 /nfs/dbraw/zinc/13/37/47/569133747.db2.gz DARATFFISLKGFT-HXUWFJFHSA-N 0 0 411.549 6.007 50 0 HKAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(F)cc4Cl)cc32)cc1 ZINC000064955983 569133699 /nfs/dbraw/zinc/13/36/99/569133699.db2.gz BFQYZMXMQSUMSH-UHFFFAOYSA-N 0 0 407.876 5.116 50 0 HKAARN CSc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064955985 569133707 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GHRUAHVOCGKNJC-HSZRJFAPSA-N 0 0 412.533 5.008 50 0 HKAARN CC[C@H](C(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2)c1ccccc1 ZINC000064990075 569146362 /nfs/dbraw/zinc/14/63/62/569146362.db2.gz QDQRZXQPZYLIII-DEOSSOPVSA-N 0 0 412.533 5.008 50 0 HKAARN CC[C@@H](C(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2)c1ccccc1 ZINC000064990076 569146328 /nfs/dbraw/zinc/14/63/28/569146328.db2.gz QDQRZXQPZYLIII-XMMPIXPASA-N 0 0 412.533 5.008 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4)cc32)cc1 ZINC000064990291 569146479 /nfs/dbraw/zinc/14/64/79/569146479.db2.gz IZIIUZYJLCCDPL-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4Cl)cc32)cc1 ZINC000064990292 569146460 /nfs/dbraw/zinc/14/64/60/569146460.db2.gz NRFLPLRDGOSTJZ-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064990294 569146433 /nfs/dbraw/zinc/14/64/33/569146433.db2.gz VHQPYJNJNPOSMZ-UHFFFAOYSA-N 0 0 413.521 5.082 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000064990295 569146441 /nfs/dbraw/zinc/14/64/41/569146441.db2.gz UJNQYKFMGRPTJC-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(C)c4C)cc32)cc1 ZINC000064990297 569146449 /nfs/dbraw/zinc/14/64/49/569146449.db2.gz LKOLQRBNJOHFGW-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(C)c4)cc32)cc1 ZINC000064990301 569146444 /nfs/dbraw/zinc/14/64/44/569146444.db2.gz SKENUCJZCXXACV-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(C)ccc4C)cc32)cc1 ZINC000064990303 569146452 /nfs/dbraw/zinc/14/64/52/569146452.db2.gz NJDGYGWBBQCXSD-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(C)cc(C)c4)cc32)cc1 ZINC000064990305 569146443 /nfs/dbraw/zinc/14/64/43/569146443.db2.gz MGXADFANQAGCHL-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN CCc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000064990334 569146489 /nfs/dbraw/zinc/14/64/89/569146489.db2.gz UWWPBUBCHIAZLT-UHFFFAOYSA-N 0 0 413.521 5.082 50 0 HKAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)cc4C)cc32)cc1 ZINC000064990338 569146484 /nfs/dbraw/zinc/14/64/84/569146484.db2.gz GNRGGBUWBDABGZ-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064990403 569146447 /nfs/dbraw/zinc/14/64/47/569146447.db2.gz MYWWNGJEPNYJDY-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccc(F)c(Cl)c1 ZINC000064990405 569146456 /nfs/dbraw/zinc/14/64/56/569146456.db2.gz ZOVBVAHSUICCIF-UHFFFAOYSA-N 0 0 423.875 5.004 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064990418 569146435 /nfs/dbraw/zinc/14/64/35/569146435.db2.gz LTXJSCAXQDMATL-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000064990495 569146455 /nfs/dbraw/zinc/14/64/55/569146455.db2.gz MPVLXHJDSOZJFT-MRXNPFEDSA-N 0 0 419.912 5.253 50 0 HKAARN C[C@H]1Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 ZINC000064990497 569146429 /nfs/dbraw/zinc/14/64/29/569146429.db2.gz MPVLXHJDSOZJFT-INIZCTEOSA-N 0 0 419.912 5.253 50 0 HKAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2N1C(=O)c1ccccc1 ZINC000064990498 569146431 /nfs/dbraw/zinc/14/64/31/569146431.db2.gz ZRNUAPIMKFOKSZ-MRXNPFEDSA-N 0 0 419.912 5.253 50 0 HKAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2N1C(=O)c1ccccc1 ZINC000064990499 569146427 /nfs/dbraw/zinc/14/64/27/569146427.db2.gz ZRNUAPIMKFOKSZ-INIZCTEOSA-N 0 0 419.912 5.253 50 0 HKAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000064990503 569146475 /nfs/dbraw/zinc/14/64/75/569146475.db2.gz SWLDKMUWUWETJH-MRXNPFEDSA-N 0 0 419.912 5.253 50 0 HKAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000064990505 569146530 /nfs/dbraw/zinc/14/65/30/569146530.db2.gz SWLDKMUWUWETJH-INIZCTEOSA-N 0 0 419.912 5.253 50 0 HKAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1C ZINC000064990506 569146549 /nfs/dbraw/zinc/14/65/49/569146549.db2.gz HANOGQPQVHAZBN-GOSISDBHSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1C ZINC000064990507 569146545 /nfs/dbraw/zinc/14/65/45/569146545.db2.gz HANOGQPQVHAZBN-SFHVURJKSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1C ZINC000064990513 569146548 /nfs/dbraw/zinc/14/65/48/569146548.db2.gz FGCCISNJDJHRJJ-LJQANCHMSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1C ZINC000064990515 569146556 /nfs/dbraw/zinc/14/65/56/569146556.db2.gz FGCCISNJDJHRJJ-IBGZPJMESA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(C)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990516 569146531 /nfs/dbraw/zinc/14/65/31/569146531.db2.gz PPJLFWDKQNADNZ-LJQANCHMSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(C)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990518 569146567 /nfs/dbraw/zinc/14/65/67/569146567.db2.gz PPJLFWDKQNADNZ-IBGZPJMESA-N 0 0 413.521 5.217 50 0 HKAARN Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990519 569146542 /nfs/dbraw/zinc/14/65/42/569146542.db2.gz DSNMJPLISQAYMT-LJQANCHMSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990521 569146570 /nfs/dbraw/zinc/14/65/70/569146570.db2.gz DSNMJPLISQAYMT-IBGZPJMESA-N 0 0 413.521 5.217 50 0 HKAARN CCc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990578 569146563 /nfs/dbraw/zinc/14/65/63/569146563.db2.gz ISYMGQHFMZVASV-GOSISDBHSA-N 0 0 413.521 5.162 50 0 HKAARN CCc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990580 569146551 /nfs/dbraw/zinc/14/65/51/569146551.db2.gz ISYMGQHFMZVASV-SFHVURJKSA-N 0 0 413.521 5.162 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c(C)c1 ZINC000064990584 569146537 /nfs/dbraw/zinc/14/65/37/569146537.db2.gz QQHIAIAYSKLIRW-LJQANCHMSA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c(C)c1 ZINC000064990585 569146566 /nfs/dbraw/zinc/14/65/66/569146566.db2.gz QQHIAIAYSKLIRW-IBGZPJMESA-N 0 0 413.521 5.217 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1F ZINC000064990606 569146573 /nfs/dbraw/zinc/14/65/73/569146573.db2.gz QGXZATYZKKDGRU-QGZVFWFLSA-N 0 0 417.484 5.047 50 0 HKAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1F ZINC000064990607 569146554 /nfs/dbraw/zinc/14/65/54/569146554.db2.gz QGXZATYZKKDGRU-KRWDZBQOSA-N 0 0 417.484 5.047 50 0 HKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4)cc32)c1 ZINC000064990821 569146636 /nfs/dbraw/zinc/14/66/36/569146636.db2.gz FRDQKQVYJFDKPK-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4Cl)cc32)c1 ZINC000064990823 569146677 /nfs/dbraw/zinc/14/66/77/569146677.db2.gz CHJGDLMVOKMCCN-UHFFFAOYSA-N 0 0 419.912 5.173 50 0 HKAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)c1 ZINC000064990826 569146650 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/nfs/dbraw/zinc/16/33/97/569163397.db2.gz ZXGJSHJDGARIAW-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN CN(C(=O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1)C1CCCCC1 ZINC000065057830 569163420 /nfs/dbraw/zinc/16/34/20/569163420.db2.gz RBQZOADNKDXSAD-UHFFFAOYSA-N 0 0 405.473 5.480 50 0 HKAARN O=C(NCCc1ccccc1)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057836 569163437 /nfs/dbraw/zinc/16/34/37/569163437.db2.gz QELLOLMAEZURTJ-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 biogenic HKAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057837 569163428 /nfs/dbraw/zinc/16/34/28/569163428.db2.gz PSMJMWFXIKBKAV-UHFFFAOYSA-N 0 0 417.415 5.144 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057839 569163418 /nfs/dbraw/zinc/16/34/18/569163418.db2.gz RLUDCQGPPHEKBO-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)c1 ZINC000065057842 569163402 /nfs/dbraw/zinc/16/34/02/569163402.db2.gz GYKBLTVBFAHOJE-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1 ZINC000065057845 569163417 /nfs/dbraw/zinc/16/34/17/569163417.db2.gz CSGJEIUQOBJADD-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057873 569163446 /nfs/dbraw/zinc/16/34/46/569163446.db2.gz GIWBYURXRZQUNM-UHFFFAOYSA-N 0 0 411.461 5.587 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057876 569163389 /nfs/dbraw/zinc/16/33/89/569163389.db2.gz XZZJVPCZCANTPD-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057877 569163404 /nfs/dbraw/zinc/16/34/04/569163404.db2.gz UGEIUECKISXVSR-UHFFFAOYSA-N 0 0 409.489 6.312 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057882 569163427 /nfs/dbraw/zinc/16/34/27/569163427.db2.gz VOYWSLSCPRLWMM-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057883 569163391 /nfs/dbraw/zinc/16/33/91/569163391.db2.gz NZAXLAIOIBHKKL-RUZDIDTESA-N 0 0 421.500 5.743 50 0 HKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057885 569163390 /nfs/dbraw/zinc/16/33/90/569163390.db2.gz NZAXLAIOIBHKKL-VWLOTQADSA-N 0 0 421.500 5.743 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057890 569163412 /nfs/dbraw/zinc/16/34/12/569163412.db2.gz JWQNWEVXTVPRCU-LJQANCHMSA-N 0 0 409.489 5.735 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057891 569163448 /nfs/dbraw/zinc/16/34/48/569163448.db2.gz JWQNWEVXTVPRCU-IBGZPJMESA-N 0 0 409.489 5.735 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057904 569163388 /nfs/dbraw/zinc/16/33/88/569163388.db2.gz IXNJRWGAKLUEJE-UHFFFAOYSA-N 0 0 415.880 5.519 50 0 HKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NC4CCCCC4)c3)cn2)cc1 ZINC000065057916 569163515 /nfs/dbraw/zinc/16/35/15/569163515.db2.gz KJJADEZQOYIUPL-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN CCCN(CCC)C(=O)c1cccc(-c2cnc(Oc3ccc(OC)cc3)nc2)c1 ZINC000065057919 569163525 /nfs/dbraw/zinc/16/35/25/569163525.db2.gz XBPGTEPASHHULO-UHFFFAOYSA-N 0 0 405.498 5.207 50 0 HKAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)N(C)C4CCCCC4)c3)cn2)cc1 ZINC000065057925 569163522 /nfs/dbraw/zinc/16/35/22/569163522.db2.gz FOLICMIWEPBANC-UHFFFAOYSA-N 0 0 417.509 5.349 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NC4CCCCC4)c3)cn2)c1 ZINC000065057944 569163516 /nfs/dbraw/zinc/16/35/16/569163516.db2.gz XBBWFTTZWVITRP-UHFFFAOYSA-N 0 0 403.482 5.007 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NC4CCCCCC4)c3)cn2)c1 ZINC000065057946 569163509 /nfs/dbraw/zinc/16/35/09/569163509.db2.gz WKOLFNDMLPZVHD-UHFFFAOYSA-N 0 0 417.509 5.397 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)cn2)c1 ZINC000065057958 569163533 /nfs/dbraw/zinc/16/35/33/569163533.db2.gz KGXAQFXXXJXAJB-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)cn2)c1 ZINC000065057960 569163535 /nfs/dbraw/zinc/16/35/35/569163535.db2.gz XIIFKFYFXRPPTB-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(F)cc4)c3)cn2)c1 ZINC000065057968 569163494 /nfs/dbraw/zinc/16/34/94/569163494.db2.gz XGCWXLFHVJNASO-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C)cc4)c3)cn2)c1 ZINC000065057972 569163492 /nfs/dbraw/zinc/16/34/92/569163492.db2.gz QDSJYLKYUVXWLG-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058001 569163526 /nfs/dbraw/zinc/16/35/26/569163526.db2.gz DGTXHZBGQPJHKL-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058003 569163518 /nfs/dbraw/zinc/16/35/18/569163518.db2.gz YDVBFODRTGOPOB-UHFFFAOYSA-N 0 0 413.452 5.890 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c1 ZINC000065058007 569163527 /nfs/dbraw/zinc/16/35/27/569163527.db2.gz XJAWMBSXLWAFQS-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN COc1cccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c1 ZINC000065058008 569163529 /nfs/dbraw/zinc/16/35/29/569163529.db2.gz FNENVUHKOUZOLU-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058010 569163513 /nfs/dbraw/zinc/16/35/13/569163513.db2.gz QPYWHIVOFOSRAJ-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058011 569163517 /nfs/dbraw/zinc/16/35/17/569163517.db2.gz CHARVCISCYWZAV-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1C ZINC000065058015 525242930 /nfs/dbraw/zinc/24/29/30/525242930.db2.gz JKPLTZDDKFMLFC-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN COc1ccccc1NC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058016 569163482 /nfs/dbraw/zinc/16/34/82/569163482.db2.gz ODVMZQXUHUNWPG-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058020 569163524 /nfs/dbraw/zinc/16/35/24/569163524.db2.gz KSDWSPBZXHTLGX-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058022 569163538 /nfs/dbraw/zinc/16/35/38/569163538.db2.gz XJHFETKBWDHAAY-UHFFFAOYSA-N 0 0 421.378 5.606 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058027 569163476 /nfs/dbraw/zinc/16/34/76/569163476.db2.gz WYDJIPQBSQNVHM-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c(C)c1 ZINC000065058028 569163514 /nfs/dbraw/zinc/16/35/14/569163514.db2.gz DKYZYBFNCJQQBI-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(NCCc1ccccc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058038 569163486 /nfs/dbraw/zinc/16/34/86/569163486.db2.gz MIXKUVYWSMWBQS-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 biogenic HKAARN O=C(NCc1ccc(F)cc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058040 569163484 /nfs/dbraw/zinc/16/34/84/569163484.db2.gz KKOQEESHEQNDPQ-UHFFFAOYSA-N 0 0 417.415 5.144 50 0 HKAARN Cc1ccccc1CNC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058042 569163508 /nfs/dbraw/zinc/16/35/08/569163508.db2.gz YHMSTQMIBFVEHI-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)c1 ZINC000065058046 569163528 /nfs/dbraw/zinc/16/35/28/569163528.db2.gz BCHHDDJDUNQIFM-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058049 569163511 /nfs/dbraw/zinc/16/35/11/569163511.db2.gz NQJVZCHEPRXYEP-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1Cl ZINC000065058078 569163465 /nfs/dbraw/zinc/16/34/65/569163465.db2.gz ZZULXVRNCZULRE-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058080 569163534 /nfs/dbraw/zinc/16/35/34/569163534.db2.gz MTQKMZBGYPLOIE-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058084 569163519 /nfs/dbraw/zinc/16/35/19/569163519.db2.gz UBNWDUMZSJAOOV-UHFFFAOYSA-N 0 0 409.489 6.312 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058097 569163488 /nfs/dbraw/zinc/16/34/88/569163488.db2.gz GIOCBXCGCVPKAS-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058100 569163537 /nfs/dbraw/zinc/16/35/37/569163537.db2.gz JINPNWNYVPZZJR-UHFFFAOYSA-N 0 0 401.853 5.842 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058106 569163470 /nfs/dbraw/zinc/16/34/70/569163470.db2.gz MKXUAGCOEQMZEI-LJQANCHMSA-N 0 0 409.489 5.735 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058107 569163474 /nfs/dbraw/zinc/16/34/74/569163474.db2.gz MKXUAGCOEQMZEI-IBGZPJMESA-N 0 0 409.489 5.735 50 0 HKAARN O=C(NCc1ccccc1Cl)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058110 569163520 /nfs/dbraw/zinc/16/35/20/569163520.db2.gz NKPARLWCTDVEMR-UHFFFAOYSA-N 0 0 415.880 5.519 50 0 HKAARN O=C(NCc1ccc(Cl)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058117 569163496 /nfs/dbraw/zinc/16/34/96/569163496.db2.gz JJUJEZCZLPPSBJ-UHFFFAOYSA-N 0 0 415.880 5.519 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3cc(F)ccc3F)c2)cs1 ZINC000065060141 569163868 /nfs/dbraw/zinc/16/38/68/569163868.db2.gz UQAKHLBENMOZJZ-UHFFFAOYSA-N 0 0 408.495 5.321 50 0 HKAARN CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000065060142 569163884 /nfs/dbraw/zinc/16/38/84/569163884.db2.gz KPRRYYJDRAQVST-UHFFFAOYSA-N 0 0 414.552 5.245 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cs1 ZINC000065060143 569163901 /nfs/dbraw/zinc/16/39/01/569163901.db2.gz YCQPXYWCEDKKKC-UHFFFAOYSA-N 0 0 406.960 5.696 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cs1 ZINC000065060148 569163917 /nfs/dbraw/zinc/16/39/17/569163917.db2.gz WNJXHBMCHQCLDV-UHFFFAOYSA-N 0 0 400.569 5.660 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3c(C)cccc3C)c2)cs1 ZINC000065060149 569163982 /nfs/dbraw/zinc/16/39/82/569163982.db2.gz FYUWSOHMYLVBRH-UHFFFAOYSA-N 0 0 400.569 5.660 50 0 HKAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000065060152 569163984 /nfs/dbraw/zinc/16/39/84/569163984.db2.gz DEWCDRIGHDETCR-UHFFFAOYSA-N 0 0 416.568 5.441 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCCc4ccccc43)c2)cs1 ZINC000065060158 569163934 /nfs/dbraw/zinc/16/39/34/569163934.db2.gz YABBIGKBJMYYIO-UHFFFAOYSA-N 0 0 412.580 5.383 50 0 HKAARN CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000065060163 569163877 /nfs/dbraw/zinc/16/38/77/569163877.db2.gz WDKGOWNWCFXAKY-UHFFFAOYSA-N 0 0 414.552 5.245 50 0 HKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccc(F)cc3C)c2)cs1 ZINC000065060172 569163962 /nfs/dbraw/zinc/16/39/62/569163962.db2.gz PHGGQYIALNQRLI-UHFFFAOYSA-N 0 0 404.532 5.490 50 0 HKAARN CCOc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000065061056 569165006 /nfs/dbraw/zinc/16/50/06/569165006.db2.gz TWGVSHQXXYNCKJ-UHFFFAOYSA-N 0 0 403.457 5.110 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000065061075 569165101 /nfs/dbraw/zinc/16/51/01/569165101.db2.gz INXYEYLHMSYDEO-UHFFFAOYSA-N 0 0 423.875 5.374 50 0 HKAARN CCOc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000065061078 569165065 /nfs/dbraw/zinc/16/50/65/569165065.db2.gz GLOJQWUHCBJWIT-UHFFFAOYSA-N 0 0 403.457 5.110 50 0 HKAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccc(F)cc1Cl ZINC000065061088 569165071 /nfs/dbraw/zinc/16/50/71/569165071.db2.gz ZGVVQRDSJOCUKL-UHFFFAOYSA-N 0 0 411.839 5.504 50 0 HKAARN COc1ccc(C)cc1NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000065061090 569165069 /nfs/dbraw/zinc/16/50/69/569165069.db2.gz WLPIGNDOGMBPGB-UHFFFAOYSA-N 0 0 403.457 5.029 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)CCc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000065061127 569165060 /nfs/dbraw/zinc/16/50/60/569165060.db2.gz UGJDFQNFLCVOQJ-UHFFFAOYSA-N 0 0 419.912 5.543 50 0 HKAARN COc1ccc(NC(=O)CCc2c(-c3ccc(C)cc3)nc3ccccn32)cc1Cl ZINC000065061133 569165066 /nfs/dbraw/zinc/16/50/66/569165066.db2.gz QMMDLZNYXYSNTR-UHFFFAOYSA-N 0 0 419.912 5.543 50 0 HKAARN CC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000065061135 569165061 /nfs/dbraw/zinc/16/50/61/569165061.db2.gz FTPAGDFBPFKXBZ-UHFFFAOYSA-N 0 0 417.896 5.429 50 0 HKAARN CCOc1ccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1 ZINC000065061147 569165111 /nfs/dbraw/zinc/16/51/11/569165111.db2.gz XJWMKLPQGOFYPY-UHFFFAOYSA-N 0 0 419.912 5.625 50 0 HKAARN CC(=O)c1cccc(NC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)c1 ZINC000065061160 569165033 /nfs/dbraw/zinc/16/50/33/569165033.db2.gz IMSZGAADVFXNPQ-UHFFFAOYSA-N 0 0 417.896 5.429 50 0 HKAARN COc1ccc(C)cc1NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000065061170 569165086 /nfs/dbraw/zinc/16/50/86/569165086.db2.gz YCLDTUUBRYCYPY-UHFFFAOYSA-N 0 0 419.912 5.543 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCc4cccc(Cl)c4)s3)no2)cc1 ZINC000065062914 569166750 /nfs/dbraw/zinc/16/67/50/569166750.db2.gz JJLJBXVDWCJYEX-UHFFFAOYSA-N 0 0 409.898 5.357 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccccc4Cl)s3)no2)cc1 ZINC000065062916 569166231 /nfs/dbraw/zinc/16/62/31/569166231.db2.gz PTQPSUYAHLKBOE-UHFFFAOYSA-N 0 0 409.898 5.357 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCc4ccccc4)s3)no2)cc1 ZINC000065062927 569166841 /nfs/dbraw/zinc/16/68/41/569166841.db2.gz VFOFVTTVSIFCNM-UHFFFAOYSA-N 0 0 403.507 5.136 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)CCc4ccccc4)s3)no2)cc1 ZINC000065062948 569166895 /nfs/dbraw/zinc/16/68/95/569166895.db2.gz CCGXHVRWCBVYIA-KRWDZBQOSA-N 0 0 417.534 5.525 50 0 HKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@H](C)CCc4ccccc4)s3)no2)cc1 ZINC000065062949 569166820 /nfs/dbraw/zinc/16/68/20/569166820.db2.gz CCGXHVRWCBVYIA-QGZVFWFLSA-N 0 0 417.534 5.525 50 0 HKAARN CSc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc1 ZINC000065062970 569166826 /nfs/dbraw/zinc/16/68/26/569166826.db2.gz YFXBFZJLNJFSRJ-UHFFFAOYSA-N 0 0 421.547 5.425 50 0 HKAARN CCOc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc1 ZINC000065062972 569166872 /nfs/dbraw/zinc/16/68/72/569166872.db2.gz BJCDKPBMDQBCQB-UHFFFAOYSA-N 0 0 419.506 5.102 50 0 HKAARN CCc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc1 ZINC000065062981 569166824 /nfs/dbraw/zinc/16/68/24/569166824.db2.gz NTHJAXJGAASDDV-UHFFFAOYSA-N 0 0 403.507 5.266 50 0 HKAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063041 569166894 /nfs/dbraw/zinc/16/68/94/569166894.db2.gz KZGNSPZZAOXYNU-UHFFFAOYSA-N 0 0 413.861 5.188 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NC4CCCCCC4)cc3)n2)c1 ZINC000065063168 569166860 /nfs/dbraw/zinc/16/68/60/569166860.db2.gz UHXMFBAKUFPEJV-UHFFFAOYSA-N 0 0 401.510 5.697 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)n2)c1 ZINC000065063171 569166862 /nfs/dbraw/zinc/16/68/62/569166862.db2.gz HCGRSOUAZVLVOM-UHFFFAOYSA-N 0 0 423.516 6.620 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)c1 ZINC000065063177 569166822 /nfs/dbraw/zinc/16/68/22/569166822.db2.gz IAOPGFOWOLOCER-UHFFFAOYSA-N 0 0 415.880 6.150 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)n2)c1 ZINC000065063178 569166864 /nfs/dbraw/zinc/16/68/64/569166864.db2.gz ZPARUYUKVYQLBH-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCCc4ccccc4)cc3)n2)c1 ZINC000065063183 569166852 /nfs/dbraw/zinc/16/68/52/569166852.db2.gz DMERMGSADORTFB-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 biogenic HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)c1 ZINC000065063184 569166863 /nfs/dbraw/zinc/16/68/63/569166863.db2.gz GMQRBPZUWVQZPN-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccccc4C)cc3)n2)c1 ZINC000065063185 569166817 /nfs/dbraw/zinc/16/68/17/569166817.db2.gz QQFWFAJUYOIXMY-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000065063188 569166813 /nfs/dbraw/zinc/16/68/13/569166813.db2.gz JAXMEVUSVKPPIW-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063194 569166882 /nfs/dbraw/zinc/16/68/82/569166882.db2.gz TYQGLSAYQGBNFN-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063198 569166838 /nfs/dbraw/zinc/16/68/38/569166838.db2.gz PDYOQAXDYPLTQV-UHFFFAOYSA-N 0 0 413.452 5.890 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000065063201 569166875 /nfs/dbraw/zinc/16/68/75/569166875.db2.gz VAVNRAYDKCSDBF-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000065063202 569166858 /nfs/dbraw/zinc/16/68/58/569166858.db2.gz VZGBILWBLWEHCC-UHFFFAOYSA-N 0 0 415.424 5.336 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1C ZINC000065063208 569166851 /nfs/dbraw/zinc/16/68/51/569166851.db2.gz PZMMHOAGMVQGRY-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063212 569166861 /nfs/dbraw/zinc/16/68/61/569166861.db2.gz VJMOQUBYPVLKJA-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c(C)c1 ZINC000065063213 569166883 /nfs/dbraw/zinc/16/68/83/569166883.db2.gz HRFLYZVENBQZQQ-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(NCCc1ccccc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063219 569166873 /nfs/dbraw/zinc/16/68/73/569166873.db2.gz IACMUQIQNIHDNF-UHFFFAOYSA-N 0 0 413.452 5.048 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063222 569167011 /nfs/dbraw/zinc/16/70/11/569167011.db2.gz KJYHEXVOYYTFFR-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000065063224 569166967 /nfs/dbraw/zinc/16/69/67/569166967.db2.gz YTQDMXMJPXCPSU-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000065063225 569166962 /nfs/dbraw/zinc/16/69/62/569166962.db2.gz GIMRNFAQWHCJNR-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NC4CCCCCC4)cc3)n2)cc1 ZINC000065063229 569166997 /nfs/dbraw/zinc/16/69/97/569166997.db2.gz OYQYUOIRUZZDTL-UHFFFAOYSA-N 0 0 401.510 5.697 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000065063232 569166960 /nfs/dbraw/zinc/16/69/60/569166960.db2.gz FQPGSZQKCYWESS-UHFFFAOYSA-N 0 0 409.489 6.059 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000065063233 569166944 /nfs/dbraw/zinc/16/69/44/569166944.db2.gz LWNFJYGSFGTJSC-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)n2)cc1 ZINC000065063237 569167003 /nfs/dbraw/zinc/16/70/03/569167003.db2.gz FTUCCRLWLGHPMX-UHFFFAOYSA-N 0 0 423.516 6.620 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000065063238 569166990 /nfs/dbraw/zinc/16/69/90/569166990.db2.gz JBXHWECVPDXDBT-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Oc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000065063239 569166992 /nfs/dbraw/zinc/16/69/92/569166992.db2.gz VFYJPJYIBZQCED-UHFFFAOYSA-N 0 0 411.461 5.505 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)n2)cc1 ZINC000065063248 569166929 /nfs/dbraw/zinc/16/69/29/569166929.db2.gz POJBECKWKCTBRE-UHFFFAOYSA-N 0 0 409.489 6.113 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCCc4ccccc4)cc3)n2)cc1 ZINC000065063253 569166986 /nfs/dbraw/zinc/16/69/86/569166986.db2.gz CMRJYFMYRYTMPR-UHFFFAOYSA-N 0 0 409.489 5.217 50 0 biogenic HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)cc1 ZINC000065063254 569167009 /nfs/dbraw/zinc/16/70/09/569167009.db2.gz PIQINGZRQOCMNM-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCc4ccccc4C)cc3)n2)cc1 ZINC000065063256 569166993 /nfs/dbraw/zinc/16/69/93/569166993.db2.gz SUZILDNTLOXVIN-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000065063259 569166979 /nfs/dbraw/zinc/16/69/79/569166979.db2.gz VBEWYJXQSSIRHN-UHFFFAOYSA-N 0 0 409.489 5.483 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000065063263 569166974 /nfs/dbraw/zinc/16/69/74/569166974.db2.gz VINVRIWTHWDVIT-UHFFFAOYSA-N 0 0 413.452 5.890 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000065063264 569166985 /nfs/dbraw/zinc/16/69/85/569166985.db2.gz WXVGNGZEPJVXSX-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1C ZINC000065063267 569166999 /nfs/dbraw/zinc/16/69/99/569166999.db2.gz LDCBBISRUUYZLP-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Oc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000065063269 569166994 /nfs/dbraw/zinc/16/69/94/569166994.db2.gz QOSMBSKLQZYDRJ-UHFFFAOYSA-N 0 0 403.388 5.466 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)c(C)c1 ZINC000065063271 569166936 /nfs/dbraw/zinc/16/69/36/569166936.db2.gz IJQLWPNQKGFFOM-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Oc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000065063275 569166958 /nfs/dbraw/zinc/16/69/58/569166958.db2.gz XOOWDKRWJVJWTH-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000065063278 569166956 /nfs/dbraw/zinc/16/69/56/569166956.db2.gz HZCZRXUQHMZRFF-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000065063279 569167007 /nfs/dbraw/zinc/16/70/07/569167007.db2.gz HGMLHSFTXKTAJK-UHFFFAOYSA-N 0 0 413.452 5.313 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063289 569167002 /nfs/dbraw/zinc/16/70/02/569167002.db2.gz ZZPZSEGBWFPOGW-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN CCc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000065063290 569167004 /nfs/dbraw/zinc/16/70/04/569167004.db2.gz RZCGONKZZAMZGF-UHFFFAOYSA-N 0 0 413.452 5.890 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000065063291 569166946 /nfs/dbraw/zinc/16/69/46/569166946.db2.gz UQSABAJMOJLSTP-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063293 569166995 /nfs/dbraw/zinc/16/69/95/569166995.db2.gz PCDIHDAKGBUFGP-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1C ZINC000065063295 569166972 /nfs/dbraw/zinc/16/69/72/569166972.db2.gz AJPMHNSZSIUNSE-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c(C)c1 ZINC000065063301 569166952 /nfs/dbraw/zinc/16/69/52/569166952.db2.gz LXWNSTXXPFTFIL-UHFFFAOYSA-N 0 0 413.452 5.944 50 0 HKAARN O=C(NC1CCCCCC1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000065063311 569166987 /nfs/dbraw/zinc/16/69/87/569166987.db2.gz RKRYNVPBKBNGGN-UHFFFAOYSA-N 0 0 405.473 5.528 50 0 HKAARN O=C(NCCC1=CCCCC1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000065063312 569166964 /nfs/dbraw/zinc/16/69/64/569166964.db2.gz BQEXQKLCQUJVSH-UHFFFAOYSA-N 0 0 417.484 5.695 50 0 HKAARN CC(C)c1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000065063319 569166950 /nfs/dbraw/zinc/16/69/50/569166950.db2.gz YPCSKPPXFWJOLJ-UHFFFAOYSA-N 0 0 409.489 6.312 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000065063321 569166998 /nfs/dbraw/zinc/16/69/98/569166998.db2.gz OCMWMTIRBVBIIW-UHFFFAOYSA-N 0 0 419.843 5.981 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000065075200 569169445 /nfs/dbraw/zinc/16/94/45/569169445.db2.gz MRWRFPMAPBBWDP-MHZLTWQESA-N 0 0 412.533 5.088 50 0 HKAARN CC(C)c1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000065075201 569169393 /nfs/dbraw/zinc/16/93/93/569169393.db2.gz MRWRFPMAPBBWDP-HHHXNRCGSA-N 0 0 412.533 5.088 50 0 HKAARN CC(C)c1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075228 569169405 /nfs/dbraw/zinc/16/94/05/569169405.db2.gz IFLINTJXDVFAFJ-MHZLTWQESA-N 0 0 412.533 5.088 50 0 HKAARN CC(C)c1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000065075229 569169432 /nfs/dbraw/zinc/16/94/32/569169432.db2.gz IFLINTJXDVFAFJ-HHHXNRCGSA-N 0 0 412.533 5.088 50 0 HKAARN COc1ccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1Cl ZINC000065079230 569170952 /nfs/dbraw/zinc/17/09/52/569170952.db2.gz GYBYKMVGMYUCBA-UHFFFAOYSA-N 0 0 411.914 5.214 50 0 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Cc1ccc(CNC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000065185992 569192058 /nfs/dbraw/zinc/19/20/58/569192058.db2.gz FRAVRWHLMXTTBY-UHFFFAOYSA-N 0 0 415.541 5.010 50 0 HKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1cc(C)ccc1C ZINC000065194815 569192879 /nfs/dbraw/zinc/19/28/79/569192879.db2.gz UIKWPYHVAWVHMN-UHFFFAOYSA-N 0 0 406.511 5.139 50 0 HKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000065194816 569192885 /nfs/dbraw/zinc/19/28/85/569192885.db2.gz OYGGSAWUTKPCHU-UHFFFAOYSA-N 0 0 406.511 5.139 50 0 HKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccc(C)cc1C ZINC000065194827 569192895 /nfs/dbraw/zinc/19/28/95/569192895.db2.gz RDNZZVIQDIGSDU-UHFFFAOYSA-N 0 0 406.511 5.139 50 0 HKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000065194828 569192927 /nfs/dbraw/zinc/19/29/27/569192927.db2.gz CWDGWYCSVQBFLW-UHFFFAOYSA-N 0 0 406.511 5.139 50 0 HKAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1cccc(Cl)c1 ZINC000065194835 569192932 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50 0 HKAARN COc1ccc2cc3cc(C(=O)N4CCCc5ccccc54)sc3nc2c1Cl ZINC000065330799 569225078 /nfs/dbraw/zinc/22/50/78/569225078.db2.gz OJENDCKRKIRAEM-UHFFFAOYSA-N 0 0 408.910 5.705 50 0 HKAARN COc1ccc2cc3cc(C(=O)N4CCc5ccccc5C4)sc3nc2c1Cl ZINC000065330810 569225097 /nfs/dbraw/zinc/22/50/97/569225097.db2.gz ZKUAVUJOCXZYPQ-UHFFFAOYSA-N 0 0 408.910 5.310 50 0 HKAARN COc1ccc2cc3cc(C(=O)NCCc4ccc(C)cc4)sc3nc2c1Cl ZINC000065330811 569225084 /nfs/dbraw/zinc/22/50/84/569225084.db2.gz OKKFKTQDKSXMRQ-UHFFFAOYSA-N 0 0 410.926 5.392 50 0 HKAARN COc1ccc2cc3cc(C(=O)N4CC[C@H](c5ccccc5)C4)sc3nc2c1Cl ZINC000065330813 569225160 /nfs/dbraw/zinc/22/51/60/569225160.db2.gz YHWGOPBYCQGQED-INIZCTEOSA-N 0 0 422.937 5.741 50 0 HKAARN COc1ccc2cc3cc(C(=O)N4CC[C@@H](c5ccccc5)C4)sc3nc2c1Cl ZINC000065330814 569225091 /nfs/dbraw/zinc/22/50/91/569225091.db2.gz YHWGOPBYCQGQED-MRXNPFEDSA-N 0 0 422.937 5.741 50 0 HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccccc3Cl)CC1)c1cccn1-2 ZINC000065330873 569225082 /nfs/dbraw/zinc/22/50/82/569225082.db2.gz KISXFRVINOVKCX-UHFFFAOYSA-N 0 0 422.916 5.088 50 0 biogenic HKAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(C)c3C)CC1)c1cccn1-2 ZINC000065330874 569225153 /nfs/dbraw/zinc/22/51/53/569225153.db2.gz OCUQGWURAQXZLP-UHFFFAOYSA-N 0 0 416.525 5.051 50 0 biogenic HKAARN CCCCC(=O)c1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000065330894 569225151 /nfs/dbraw/zinc/22/51/51/569225151.db2.gz RTOJVVCRKIUEAD-UHFFFAOYSA-N 0 0 418.518 5.988 50 0 HKAARN Cc1ccccc1-c1noc(CSc2nc(-c3cccc(Cl)c3)cc(=O)[nH]2)n1 ZINC000065330947 569225087 /nfs/dbraw/zinc/22/50/87/569225087.db2.gz GCHXSULDRJDRMZ-UHFFFAOYSA-N 0 0 410.886 5.153 50 0 HKAARN Cc1cccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[nH]3)n2)c1 ZINC000065330948 569225149 /nfs/dbraw/zinc/22/51/49/569225149.db2.gz NNIQDZMMKNGMMB-UHFFFAOYSA-N 0 0 410.886 5.153 50 0 HKAARN CCc1ccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[nH]3)n2)cc1 ZINC000065330954 569225222 /nfs/dbraw/zinc/22/52/22/569225222.db2.gz ALIMHPZQEKIJMO-UHFFFAOYSA-N 0 0 424.913 5.407 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1 ZINC000065330975 569225233 /nfs/dbraw/zinc/22/52/33/569225233.db2.gz WYILVJQZLDTIEL-UHFFFAOYSA-N 0 0 418.522 5.489 50 0 HKAARN COc1ccc(-c2nc3cnc(Br)cn3c2Nc2c(C)cccc2C)cc1 ZINC000065331621 569225881 /nfs/dbraw/zinc/22/58/81/569225881.db2.gz XAESCIIUEAUIJR-UHFFFAOYSA-N 0 0 423.314 5.528 50 0 HKAARN Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cnc(Br)cn21 ZINC000065331622 569225838 /nfs/dbraw/zinc/22/58/38/569225838.db2.gz IXPPWRFBPZXPIJ-UHFFFAOYSA-N 0 0 409.287 5.225 50 0 HKAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000065358739 569225999 /nfs/dbraw/zinc/22/59/99/569225999.db2.gz XIHYYIRYRXVUHS-CYBMUJFWSA-N 0 0 405.527 5.196 50 0 HKAARN Cc1[nH]c2ccccc2c(=O)c1CN(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000065363396 558974308 /nfs/dbraw/zinc/97/43/08/558974308.db2.gz YOTPQXSZCDALOG-UHFFFAOYSA-N 0 0 402.881 5.337 50 0 HKAARN Cc1noc(C)c1-c1c(-c2ccccc2)ncn1CCOc1cccc2cccnc21 ZINC000065394774 558977020 /nfs/dbraw/zinc/97/70/20/558977020.db2.gz JFANMJKUIZRSBZ-UHFFFAOYSA-N 0 0 410.477 5.449 50 0 HKAARN Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1Cc1cnn(C)c1C ZINC000065404001 558977459 /nfs/dbraw/zinc/97/74/59/558977459.db2.gz GUOFGDLEEZLECF-UHFFFAOYSA-N 0 0 409.493 5.271 50 0 HKAARN CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2Cc2nc(C(C)(C)C)no2)cc1 ZINC000065410119 558977402 /nfs/dbraw/zinc/97/74/02/558977402.db2.gz YONGHFPOHKIVAK-UHFFFAOYSA-N 0 0 400.482 5.149 50 0 HKAARN O=C(Nc1cccc(C2SCCS2)c1)NC1CCN(c2ccc(F)cc2)CC1 ZINC000065439432 569230229 /nfs/dbraw/zinc/23/02/29/569230229.db2.gz FIRPIVXBVVCZJG-UHFFFAOYSA-N 0 0 417.575 5.095 50 0 HKAARN CC(=O)c1cccc(-c2cc([C@H]3CCN(Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454460 558977603 /nfs/dbraw/zinc/97/76/03/558977603.db2.gz CCPGWLVUKMQULR-NRFANRHFSA-N 0 0 405.567 5.521 50 0 HKAARN CC(=O)c1cccc(-c2cc([C@@H]3CCN(Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454462 558977615 /nfs/dbraw/zinc/97/76/15/558977615.db2.gz CCPGWLVUKMQULR-OAQYLSRUSA-N 0 0 405.567 5.521 50 0 HKAARN Cc1cc(Br)oc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000065474925 569231402 /nfs/dbraw/zinc/23/14/02/569231402.db2.gz VSIBEFXCUVMWEG-UHFFFAOYSA-N 0 0 420.263 5.118 50 0 HKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3C)cs2)o1 ZINC000065475588 569231536 /nfs/dbraw/zinc/23/15/36/569231536.db2.gz WJQJOHJATSQRSZ-HNNXBMFYSA-N 0 0 423.538 5.287 50 0 HKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3C)cs2)o1 ZINC000065475590 569231445 /nfs/dbraw/zinc/23/14/45/569231445.db2.gz WJQJOHJATSQRSZ-OAHLLOKOSA-N 0 0 423.538 5.287 50 0 HKAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 ZINC000065475600 569231476 /nfs/dbraw/zinc/23/14/76/569231476.db2.gz ILWFHXVSQNTTLF-UHFFFAOYSA-N 0 0 419.333 5.957 50 0 HKAARN Cc1c(C(=O)Nc2ccc(C)cc2OCc2ccccc2)sc2nc(C)nc(C)c12 ZINC000065475605 569231546 /nfs/dbraw/zinc/23/15/46/569231546.db2.gz YRJUBAUJQKEFCO-UHFFFAOYSA-N 0 0 417.534 5.756 50 0 HKAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000065476544 569231521 /nfs/dbraw/zinc/23/15/21/569231521.db2.gz BYAILFKPHKAJGC-UHFFFAOYSA-N 0 0 405.479 5.768 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CCCSCC1 ZINC000065477850 569231582 /nfs/dbraw/zinc/23/15/82/569231582.db2.gz WEMVXZZHCIXJOI-UHFFFAOYSA-N 0 0 414.424 5.608 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CCSCC1 ZINC000065477855 569231632 /nfs/dbraw/zinc/23/16/32/569231632.db2.gz GNIFHMDGZXZTHP-UHFFFAOYSA-N 0 0 400.397 5.218 50 0 HKAARN Cc1cc2nnc(SC[C@@H](O)c3ccccc3C(F)(F)F)n2c2ccccc12 ZINC000065479380 569231620 /nfs/dbraw/zinc/23/16/20/569231620.db2.gz QMWOPEYIOWUJKQ-QGZVFWFLSA-N 0 0 403.429 5.035 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)N1CCc2ccc(O)cc2C1 ZINC000065483675 569231725 /nfs/dbraw/zinc/23/17/25/569231725.db2.gz GXKMRBBPOOUTDS-UHFFFAOYSA-N 0 0 410.926 5.787 50 0 HKAARN Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000065491257 569231899 /nfs/dbraw/zinc/23/18/99/569231899.db2.gz CXGZBJUJXGUCGC-UHFFFAOYSA-N 0 0 403.309 5.551 50 0 HKAARN Cc1noc(C)c1CCCn1cnc(-c2ccccc2)c1-c1cnc(C(C)C)nc1 ZINC000065491873 558977897 /nfs/dbraw/zinc/97/78/97/558977897.db2.gz OGGFKLCKDDIVJY-UHFFFAOYSA-N 0 0 401.514 5.368 50 0 HKAARN C[C@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000065492069 569232285 /nfs/dbraw/zinc/23/22/85/569232285.db2.gz YPISKGYLCFCHQE-AWEZNQCLSA-N 0 0 405.404 5.173 50 0 HKAARN C[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1 ZINC000065492073 569232214 /nfs/dbraw/zinc/23/22/14/569232214.db2.gz YPISKGYLCFCHQE-CQSZACIVSA-N 0 0 405.404 5.173 50 0 HKAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccn4)cc3C)s2)o1 ZINC000065492193 569232243 /nfs/dbraw/zinc/23/22/43/569232243.db2.gz RBNCHIDWVZDAOO-UHFFFAOYSA-N 0 0 406.467 5.163 50 0 HKAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000065492355 569232419 /nfs/dbraw/zinc/23/24/19/569232419.db2.gz KNMMLQOSEBBQEB-GFCCVEGCSA-N 0 0 408.299 5.171 50 0 HKAARN O=C(Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl)c1ccco1 ZINC000065492444 569232379 /nfs/dbraw/zinc/23/23/79/569232379.db2.gz YBUXKUAXJZYFIZ-UHFFFAOYSA-N 0 0 416.864 6.105 50 0 HKAARN CC(=O)N(C)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000065492447 569232366 /nfs/dbraw/zinc/23/23/66/569232366.db2.gz OCYWRAYPXLHYTG-UHFFFAOYSA-N 0 0 412.411 5.607 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000065492778 569232369 /nfs/dbraw/zinc/23/23/69/569232369.db2.gz MRTRNSUBSPUQKL-UHFFFAOYSA-N 0 0 408.401 5.383 50 0 HKAARN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCc2sccc2C1 ZINC000065494850 569232335 /nfs/dbraw/zinc/23/23/35/569232335.db2.gz QKXQWVVZMUWRRW-UHFFFAOYSA-N 0 0 408.523 5.447 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000065498222 569232491 /nfs/dbraw/zinc/23/24/91/569232491.db2.gz CUCFCHZWFNEFEC-UHFFFAOYSA-N 0 0 406.791 5.314 50 0 HKAARN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000065514566 569233215 /nfs/dbraw/zinc/23/32/15/569233215.db2.gz CIPHJQFIJOFPIC-UHFFFAOYSA-N 0 0 417.918 5.835 50 0 HKAARN Cc1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ncccn4)c3)s2)c(C)c1 ZINC000065515531 569233196 /nfs/dbraw/zinc/23/31/96/569233196.db2.gz WUFWDLOKHJKFIT-UHFFFAOYSA-N 0 0 402.479 5.262 50 0 HKAARN Cc1nc(C)c([C@@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 ZINC000065518621 569233534 /nfs/dbraw/zinc/23/35/34/569233534.db2.gz NAGLMKQTSLDQCQ-OAHLLOKOSA-N 0 0 409.580 5.630 50 0 HKAARN Cc1nc(C)c([C@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 ZINC000065518625 569233508 /nfs/dbraw/zinc/23/35/08/569233508.db2.gz NAGLMKQTSLDQCQ-HNNXBMFYSA-N 0 0 409.580 5.630 50 0 HKAARN Cc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c(C)n1CC(F)(F)F ZINC000065520930 569233493 /nfs/dbraw/zinc/23/34/93/569233493.db2.gz TVEUAPGFWFCFTN-UHFFFAOYSA-N 0 0 419.422 5.217 50 0 HKAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(C2SCCCS2)cc1 ZINC000065521277 569233522 /nfs/dbraw/zinc/23/35/22/569233522.db2.gz IYMAMDHWPVIBJT-UHFFFAOYSA-N 0 0 419.571 6.039 50 0 HKAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3cc4ccccc4[nH]3)c12 ZINC000065523066 569233905 /nfs/dbraw/zinc/23/39/05/569233905.db2.gz SZOHJGYYLBRGFE-UHFFFAOYSA-N 0 0 403.530 5.029 50 0 HKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000065529219 569233909 /nfs/dbraw/zinc/23/39/09/569233909.db2.gz XYAONWAZOIMWKV-UHFFFAOYSA-N 0 0 422.912 5.047 50 0 HKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc(F)c(N(C)C)c(F)c1 ZINC000065529827 569233879 /nfs/dbraw/zinc/23/38/79/569233879.db2.gz WVRPPMKJMPKZLA-UHFFFAOYSA-N 0 0 415.387 5.220 50 0 HKAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)C1(C)C ZINC000065533629 569234436 /nfs/dbraw/zinc/23/44/36/569234436.db2.gz LXUORYXCGLTADI-DYESRHJHSA-N 0 0 413.512 5.299 50 0 HKAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)C1(C)C ZINC000065533634 569234441 /nfs/dbraw/zinc/23/44/41/569234441.db2.gz LXUORYXCGLTADI-LAUBAEHRSA-N 0 0 413.512 5.299 50 0 HKAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)C1(C)C ZINC000065533636 569234507 /nfs/dbraw/zinc/23/45/07/569234507.db2.gz LXUORYXCGLTADI-UTKZUKDTSA-N 0 0 413.512 5.299 50 0 HKAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)C1(C)C ZINC000065533642 569234521 /nfs/dbraw/zinc/23/45/21/569234521.db2.gz LXUORYXCGLTADI-UWJYYQICSA-N 0 0 413.512 5.299 50 0 HKAARN Cc1c(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)sc2nc(C)nc(C)c12 ZINC000065533933 569234486 /nfs/dbraw/zinc/23/44/86/569234486.db2.gz DOXDOUQFXYZNNZ-UHFFFAOYSA-N 0 0 422.579 5.021 50 0 HKAARN Fc1cccc(CSc2nc3ccccc3c3nc(Cc4ccccc4)nn32)c1 ZINC000065534866 569234453 /nfs/dbraw/zinc/23/44/53/569234453.db2.gz CVRJDYOIJXROLL-UHFFFAOYSA-N 0 0 400.482 5.300 50 0 HKAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000065538852 569234662 /nfs/dbraw/zinc/23/46/62/569234662.db2.gz QQHCNEWJCXPPFH-UHFFFAOYSA-N 0 0 401.491 5.441 50 0 HKAARN O=C(Nc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccs1 ZINC000065547537 569234702 /nfs/dbraw/zinc/23/47/02/569234702.db2.gz BPHGSHRBHBCPIH-UHFFFAOYSA-N 0 0 415.518 5.613 50 0 HKAARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2c(s1)CCCCC2 ZINC000065547725 569234853 /nfs/dbraw/zinc/23/48/53/569234853.db2.gz WLJFRVTYLRJHIM-UHFFFAOYSA-N 0 0 424.488 5.125 50 0 HKAARN CC1=NN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C)c(F)c4)s3)cc2)CC1 ZINC000065548557 569234902 /nfs/dbraw/zinc/23/49/02/569234902.db2.gz RVWDTVPFKCAKJW-UHFFFAOYSA-N 0 0 408.502 5.020 50 0 HKAARN Cc1cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)s1 ZINC000065550303 569234846 /nfs/dbraw/zinc/23/48/46/569234846.db2.gz QKDFYYNWCPXXEY-GFCCVEGCSA-N 0 0 404.586 5.391 50 0 HKAARN Cc1cc([C@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)s1 ZINC000065550306 569234852 /nfs/dbraw/zinc/23/48/52/569234852.db2.gz QKDFYYNWCPXXEY-LBPRGKRZSA-N 0 0 404.586 5.391 50 0 HKAARN COc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c32)cc1NC(C)=O ZINC000065553003 569235332 /nfs/dbraw/zinc/23/53/32/569235332.db2.gz GTLFVPAZZIXFLC-UHFFFAOYSA-N 0 0 418.522 5.686 50 0 HKAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000065553143 569235250 /nfs/dbraw/zinc/23/52/50/569235250.db2.gz FZFDWKLCFKHDDM-UHFFFAOYSA-N 0 0 408.379 6.280 50 0 HKAARN O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000065553992 569235586 /nfs/dbraw/zinc/23/55/86/569235586.db2.gz RWTFUYFTWLZANF-UHFFFAOYSA-N 0 0 423.582 5.314 50 0 HKAARN CC(=O)N(c1nc(CSc2ccnc3ccccc32)cs1)c1ccc(C)c(C)c1 ZINC000065562860 569234230 /nfs/dbraw/zinc/23/42/30/569234230.db2.gz NIRSHTFSHZQJRM-UHFFFAOYSA-N 0 0 419.575 6.285 50 0 HKAARN Cc1ccc(C(=O)[C@@H](Sc2nnc(N3CCCC3)s2)c2ccc(C)cc2)cc1 ZINC000065566459 569234298 /nfs/dbraw/zinc/23/42/98/569234298.db2.gz KYZXCHSFENYTTO-FQEVSTJZSA-N 0 0 409.580 5.471 50 0 HKAARN Brc1ccsc1-c1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000065567508 569236257 /nfs/dbraw/zinc/23/62/57/569236257.db2.gz KAKZZZZWCPZSGV-INIZCTEOSA-N 0 0 421.385 5.208 50 0 HKAARN Brc1ccsc1-c1csc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000065567512 569236244 /nfs/dbraw/zinc/23/62/44/569236244.db2.gz KAKZZZZWCPZSGV-MRXNPFEDSA-N 0 0 421.385 5.208 50 0 HKAARN COc1ccccc1Oc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000065568020 569236208 /nfs/dbraw/zinc/23/62/08/569236208.db2.gz IKPLXFNZDOMPRS-UHFFFAOYSA-N 0 0 423.468 6.364 50 0 HKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000065575167 569235968 /nfs/dbraw/zinc/23/59/68/569235968.db2.gz DNQGYLFXUYQZAJ-UHFFFAOYSA-N 0 0 418.950 5.118 50 0 HKAARN Cc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1C ZINC000065575464 569235986 /nfs/dbraw/zinc/23/59/86/569235986.db2.gz JBZYBLSYQZIGAM-FQEVSTJZSA-N 0 0 410.464 5.533 50 0 HKAARN Cc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1C ZINC000065575465 569235981 /nfs/dbraw/zinc/23/59/81/569235981.db2.gz JBZYBLSYQZIGAM-HXUWFJFHSA-N 0 0 410.464 5.533 50 0 HKAARN Cc1sc(CNC(=O)C2(c3ccc(F)cc3)CC2)nc1-c1ccc(Cl)cc1 ZINC000065575678 569236003 /nfs/dbraw/zinc/23/60/03/569236003.db2.gz KMTSFBKCJVPRHT-UHFFFAOYSA-N 0 0 400.906 5.259 50 0 HKAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000065575893 569235983 /nfs/dbraw/zinc/23/59/83/569235983.db2.gz KYPZGHGNGUFYRQ-UHFFFAOYSA-N 0 0 407.882 5.275 50 0 HKAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1nc(Cl)ccc1Cl ZINC000065576523 569236129 /nfs/dbraw/zinc/23/61/29/569236129.db2.gz YESOYTBWDCRKGM-UHFFFAOYSA-N 0 0 407.301 5.049 50 0 HKAARN Cc1csc(-c2ccc(C(=O)O[C@@H](c3cccc(F)c3)c3ccccn3)cc2)n1 ZINC000065577778 569236096 /nfs/dbraw/zinc/23/60/96/569236096.db2.gz IUCFVGQQOYLCFL-NRFANRHFSA-N 0 0 404.466 5.599 50 0 HKAARN Cc1csc(-c2ccc(C(=O)O[C@H](c3cccc(F)c3)c3ccccn3)cc2)n1 ZINC000065577781 569236108 /nfs/dbraw/zinc/23/61/08/569236108.db2.gz IUCFVGQQOYLCFL-OAQYLSRUSA-N 0 0 404.466 5.599 50 0 HKAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2csc(-c3ncccn3)n2)cc1 ZINC000065589222 569236453 /nfs/dbraw/zinc/23/64/53/569236453.db2.gz BDCKIHPSKZJNAG-UHFFFAOYSA-N 0 0 422.897 5.607 50 0 HKAARN Cc1nc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2o1 ZINC000065591584 569236796 /nfs/dbraw/zinc/23/67/96/569236796.db2.gz WOWVPAVWRNTIPI-UHFFFAOYSA-N 0 0 417.412 5.460 50 0 HKAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(OCc2cscn2)cc1 ZINC000065592171 569236869 /nfs/dbraw/zinc/23/68/69/569236869.db2.gz QZLUUFZAQKGPOM-HXUWFJFHSA-N 0 0 413.930 5.352 50 0 HKAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(OCc2cscn2)cc1 ZINC000065592172 569236853 /nfs/dbraw/zinc/23/68/53/569236853.db2.gz QZLUUFZAQKGPOM-FQEVSTJZSA-N 0 0 413.930 5.352 50 0 HKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000065599052 569237025 /nfs/dbraw/zinc/23/70/25/569237025.db2.gz XQVXAQFZHDCWMG-UHFFFAOYSA-N 0 0 400.482 5.608 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000065605785 569237280 /nfs/dbraw/zinc/23/72/80/569237280.db2.gz FDAOMMYUWSTALK-OAQYLSRUSA-N 0 0 421.566 5.521 50 0 HKAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000065605789 569237288 /nfs/dbraw/zinc/23/72/88/569237288.db2.gz FDAOMMYUWSTALK-NRFANRHFSA-N 0 0 421.566 5.521 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C ZINC000065607056 569237326 /nfs/dbraw/zinc/23/73/26/569237326.db2.gz ICGUEMCJIQCEJK-UHFFFAOYSA-N 0 0 412.411 5.892 50 0 HKAARN CC(C)c1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c2ccccc2n1 ZINC000065611053 569237671 /nfs/dbraw/zinc/23/76/71/569237671.db2.gz DKXOJSMWRQNXKG-UHFFFAOYSA-N 0 0 406.536 5.613 50 0 HKAARN CCC(CC)(NC(=O)Nc1ccc(N2CCOCC2)cc1C)c1ccc(Cl)cc1 ZINC000065622820 569239122 /nfs/dbraw/zinc/23/91/22/569239122.db2.gz SRYNFOFXNSMBNI-UHFFFAOYSA-N 0 0 415.965 5.322 50 0 HKAARN Cc1c(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)[nH]c2c1C(=O)CCC2 ZINC000065622967 569239134 /nfs/dbraw/zinc/23/91/34/569239134.db2.gz MCEBJABCNJIQOG-ZDUSSCGKSA-N 0 0 404.432 5.227 50 0 HKAARN Cc1c(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)[nH]c2c1C(=O)CCC2 ZINC000065622969 569239133 /nfs/dbraw/zinc/23/91/33/569239133.db2.gz MCEBJABCNJIQOG-CYBMUJFWSA-N 0 0 404.432 5.227 50 0 HKAARN COc1ccc2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)c(C)s3)[nH]c2c1 ZINC000065680067 569240907 /nfs/dbraw/zinc/24/09/07/569240907.db2.gz XLKHFXLARFTCDW-UHFFFAOYSA-N 0 0 411.914 5.192 50 0 HKAARN CSc1nnc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)s1 ZINC000065691837 569243490 /nfs/dbraw/zinc/24/34/90/569243490.db2.gz JIJBHFCYQRKFFV-UHFFFAOYSA-N 0 0 400.529 5.302 50 0 HKAARN CSc1nnc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)s1 ZINC000065691935 569243527 /nfs/dbraw/zinc/24/35/27/569243527.db2.gz WENRXDWPYWOCIK-UHFFFAOYSA-N 0 0 409.565 5.071 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000065697073 569243786 /nfs/dbraw/zinc/24/37/86/569243786.db2.gz HNLBKGMYDFCCOV-MRXNPFEDSA-N 0 0 400.931 5.141 50 0 HKAARN O=C([O-])c1ccc(N2CC[NH+](Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000065739209 558980893 /nfs/dbraw/zinc/98/08/93/558980893.db2.gz FSHGEKXJPYDBSO-UHFFFAOYSA-N 0 0 406.913 5.027 50 0 in-vitro HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000065747255 569249541 /nfs/dbraw/zinc/24/95/41/569249541.db2.gz ILQWWKUODYDBCS-MRXNPFEDSA-N 0 0 405.256 5.513 50 0 HKAARN COc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c(Cl)c1 ZINC000065812543 569297837 /nfs/dbraw/zinc/29/78/37/569297837.db2.gz LCKRIVHQXPSDRS-UHFFFAOYSA-N 0 0 418.324 5.294 50 0 HKAARN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccnc1Oc1ccccc1 ZINC000065813206 569297810 /nfs/dbraw/zinc/29/78/10/569297810.db2.gz WEPAPEFGLNYBKD-UHFFFAOYSA-N 0 0 408.870 5.298 50 0 HKAARN COc1cc(Br)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC ZINC000065825951 569298150 /nfs/dbraw/zinc/29/81/50/569298150.db2.gz IRCMKDVAIYWQBB-UHFFFAOYSA-N 0 0 410.333 5.049 50 0 HKAARN COc1ccc2oc(C)c(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)c2c1 ZINC000065835418 569298658 /nfs/dbraw/zinc/29/86/58/569298658.db2.gz BPXULNPSMGBXCZ-UHFFFAOYSA-N 0 0 415.371 5.207 50 0 HKAARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000065854921 569299816 /nfs/dbraw/zinc/29/98/16/569299816.db2.gz DWJIFXUYYZWWHB-CQSZACIVSA-N 0 0 419.308 5.295 50 0 HKAARN O=C(C=C1CCCCC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000065936233 569304337 /nfs/dbraw/zinc/30/43/37/569304337.db2.gz WVVIIKIBFWZTKD-UHFFFAOYSA-N 0 0 417.322 5.403 50 0 HKAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000065983508 569308000 /nfs/dbraw/zinc/30/80/00/569308000.db2.gz DFMVOIKIJIZPDR-UHFFFAOYSA-N 0 0 416.447 5.371 50 0 HKAARN c1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 ZINC000066055267 558983119 /nfs/dbraw/zinc/98/31/19/558983119.db2.gz XHPBZHOZZVRDHL-UHFFFAOYSA-N 0 0 412.536 8.567 50 0 HKAARN O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089064 569314455 /nfs/dbraw/zinc/31/44/55/569314455.db2.gz QPMJWQQTEDIKFO-UHFFFAOYSA-N 0 0 414.248 5.233 50 0 HKAARN Cc1cccc(NC(=O)NC(C)(C)C)c1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000066089510 569314423 /nfs/dbraw/zinc/31/44/23/569314423.db2.gz MNLDSAZQHAZXRZ-UHFFFAOYSA-N 0 0 409.408 5.066 50 0 HKAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)Cc2ccccc2Cl)cc1OCC ZINC000066407670 568970525 /nfs/dbraw/zinc/97/05/25/568970525.db2.gz WAVRGQFCQYBGKU-UHFFFAOYSA-N 0 0 413.905 5.017 50 0 HKAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)C[C@@H](C)c2ccccc2)cc1OCC ZINC000066407671 568970480 /nfs/dbraw/zinc/97/04/80/568970480.db2.gz IRYQCKSAZAJKEB-MRXNPFEDSA-N 0 0 407.514 5.315 50 0 HKAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)C[C@H](C)c2ccccc2)cc1OCC ZINC000066407672 568970393 /nfs/dbraw/zinc/97/03/93/568970393.db2.gz IRYQCKSAZAJKEB-INIZCTEOSA-N 0 0 407.514 5.315 50 0 HKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSc2nc3ccccc3o2)n1 ZINC000066409955 568970386 /nfs/dbraw/zinc/97/03/86/568970386.db2.gz KQJGQDLEMRTJJK-UHFFFAOYSA-N 0 0 420.519 5.472 50 0 HKAARN FC(F)Sc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1 ZINC000067172365 558985609 /nfs/dbraw/zinc/98/56/09/558985609.db2.gz LWLZMRSNODBZIM-UHFFFAOYSA-N 0 0 403.845 5.527 50 0 HKAARN CCOC(=O)C1=C(C)N2C(=NC(c3ccc(C)cc3)=C[C@H]2c2ccc(Cl)cc2)S1 ZINC000067172429 558985630 /nfs/dbraw/zinc/98/56/30/558985630.db2.gz FOVCQRAEUFRANJ-FQEVSTJZSA-N 0 0 424.953 5.944 50 0 HKAARN CCOC(=O)C1=C(C)N2C(=NC(c3ccc(C)cc3)=C[C@@H]2c2ccc(Cl)cc2)S1 ZINC000067172430 558985652 /nfs/dbraw/zinc/98/56/52/558985652.db2.gz FOVCQRAEUFRANJ-HXUWFJFHSA-N 0 0 424.953 5.944 50 0 HKAARN C[C@H]1CC2=C(N=C3SCC(=O)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000067172433 558985620 /nfs/dbraw/zinc/98/56/20/558985620.db2.gz XELTXHVYKDGUON-NJGTYAIQSA-N 0 0 422.500 5.719 50 0 HKAARN C[C@@H]1CC2=C(N=C3SCC(=O)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000067172434 558985602 /nfs/dbraw/zinc/98/56/02/558985602.db2.gz XELTXHVYKDGUON-INNMCQONSA-N 0 0 422.500 5.719 50 0 HKAARN C[C@H]1CC2=C(N=C3SCC(=O)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000067172435 558985592 /nfs/dbraw/zinc/98/55/92/558985592.db2.gz XELTXHVYKDGUON-VDKXSCDSSA-N 0 0 422.500 5.719 50 0 HKAARN C[C@@H]1CC2=C(N=C3SCC(=O)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000067172436 558985849 /nfs/dbraw/zinc/98/58/49/558985849.db2.gz XELTXHVYKDGUON-DYLPKHOGSA-N 0 0 422.500 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1 ZINC000067190052 569003070 /nfs/dbraw/zinc/00/30/70/569003070.db2.gz NOHJJMWZZYBNBD-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067190059 569003027 /nfs/dbraw/zinc/00/30/27/569003027.db2.gz YZDHEWWZHPUJLP-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067190061 569003068 /nfs/dbraw/zinc/00/30/68/569003068.db2.gz RLDHHHBSXFQLDV-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067190063 569003063 /nfs/dbraw/zinc/00/30/63/569003063.db2.gz YDNYMBWMLNGSGE-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 ZINC000067190064 569003052 /nfs/dbraw/zinc/00/30/52/569003052.db2.gz HZJAFRAVJPVAFW-ROMGYVFFSA-N 0 0 409.272 6.224 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067190096 569003008 /nfs/dbraw/zinc/00/30/08/569003008.db2.gz ZPIFTIDAPXSQBI-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3)oc21 ZINC000067190107 569003059 /nfs/dbraw/zinc/00/30/59/569003059.db2.gz PNQWLARTCCRXPF-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(Cl)cc2)n1 ZINC000067190108 569003056 /nfs/dbraw/zinc/00/30/56/569003056.db2.gz GMXOSJXBTJMXSM-ROMGYVFFSA-N 0 0 424.287 5.928 50 0 HKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067190118 569003077 /nfs/dbraw/zinc/00/30/77/569003077.db2.gz JKWGKFYELXMVPN-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN CC(C)(C)c1cc(C(=O)N2c3ccccc3Sc3ccccc32)cc(C(C)(C)C)c1 ZINC000067192375 558985764 /nfs/dbraw/zinc/98/57/64/558985764.db2.gz BZQZHRIZUHSNFE-UHFFFAOYSA-N 0 0 415.602 7.725 50 0 HKAARN O=C(N[C@@H](c1ccccc1)c1ccccc1Br)c1ccccc1Cl ZINC000067192377 558985837 /nfs/dbraw/zinc/98/58/37/558985837.db2.gz KEERLIDVCPEBRV-IBGZPJMESA-N 0 0 400.703 5.622 50 0 HKAARN O=C(N[C@H](c1ccccc1)c1ccccc1Br)c1ccccc1Cl ZINC000067192379 558985822 /nfs/dbraw/zinc/98/58/22/558985822.db2.gz KEERLIDVCPEBRV-LJQANCHMSA-N 0 0 400.703 5.622 50 0 HKAARN Cc1occc1-c1nnc2sc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)nn21 ZINC000067192554 569002988 /nfs/dbraw/zinc/00/29/88/569002988.db2.gz IGORQHJCJHYTOO-UHFFFAOYSA-N 0 0 416.384 5.700 50 0 HKAARN COc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000067194132 558985805 /nfs/dbraw/zinc/98/58/05/558985805.db2.gz PHAIGOVXRAXCRU-SANMLTNESA-N 0 0 403.522 5.412 50 0 HKAARN COc1ccc([C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000067194133 558985789 /nfs/dbraw/zinc/98/57/89/558985789.db2.gz PHAIGOVXRAXCRU-AREMUKBSSA-N 0 0 403.522 5.412 50 0 HKAARN COc1ccc([C@H](NC(=O)/C=C(/c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000067194141 569003058 /nfs/dbraw/zinc/00/30/58/569003058.db2.gz KXTJATROTDXBTJ-OAANICDFSA-N 0 0 411.545 6.175 50 0 HKAARN COc1ccc([C@@H](NC(=O)/C=C(/c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000067194142 569003172 /nfs/dbraw/zinc/00/31/72/569003172.db2.gz KXTJATROTDXBTJ-WUBJHQBQSA-N 0 0 411.545 6.175 50 0 HKAARN O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000067206668 569003516 /nfs/dbraw/zinc/00/35/16/569003516.db2.gz XIXMNHDGHIAYMO-UHFFFAOYSA-N 0 0 413.502 5.100 50 0 HKAARN CCOc1ccc(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)cc1Cl ZINC000067206896 569003531 /nfs/dbraw/zinc/00/35/31/569003531.db2.gz OVPRESUNEZDTPG-UHFFFAOYSA-N 0 0 424.928 5.044 50 0 HKAARN Cc1ccc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 ZINC000067206924 569003484 /nfs/dbraw/zinc/00/34/84/569003484.db2.gz FRDPCYODMTXCFM-UHFFFAOYSA-N 0 0 413.340 5.498 50 0 HKAARN O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccccc1Cl ZINC000067206939 569003513 /nfs/dbraw/zinc/00/35/13/569003513.db2.gz PFHSDVRKEOFKLG-UHFFFAOYSA-N 0 0 419.731 5.535 50 0 HKAARN CCc1ccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nc3ccccc3s2)cc1 ZINC000067240439 571052104 /nfs/dbraw/zinc/05/21/04/571052104.db2.gz SHFHKVCKBUJPKV-HXUWFJFHSA-N 0 0 416.546 5.832 50 0 HKAARN CCc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nc3ccccc3s2)cc1 ZINC000067240442 571052121 /nfs/dbraw/zinc/05/21/21/571052121.db2.gz SHFHKVCKBUJPKV-FQEVSTJZSA-N 0 0 416.546 5.832 50 0 HKAARN COc1ccc(NC(=O)[C@@H](Cc2ccc(C)cc2)c2nc3ccccc3s2)cc1 ZINC000067240464 571052141 /nfs/dbraw/zinc/05/21/41/571052141.db2.gz 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HKAARN Cc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000067245268 571053638 /nfs/dbraw/zinc/05/36/38/571053638.db2.gz MOKRHPGHRUEGQO-UHFFFAOYSA-N 0 0 407.473 5.633 50 0 HKAARN Cc1cccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)c1 ZINC000067245275 571053742 /nfs/dbraw/zinc/05/37/42/571053742.db2.gz QYEGMVHTGAZANK-UHFFFAOYSA-N 0 0 407.473 5.633 50 0 HKAARN COc1ccccc1-c1noc(-c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 ZINC000067245279 571053645 /nfs/dbraw/zinc/05/36/45/571053645.db2.gz YZUJPUFLHOUADJ-UHFFFAOYSA-N 0 0 423.472 5.333 50 0 HKAARN COc1cccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)c1 ZINC000067245281 571053966 /nfs/dbraw/zinc/05/39/66/571053966.db2.gz QYUQKNCIZRJKDH-UHFFFAOYSA-N 0 0 423.472 5.333 50 0 HKAARN CCc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 ZINC000067245301 571053991 /nfs/dbraw/zinc/05/39/91/571053991.db2.gz NHSDWYABRJZLNF-UHFFFAOYSA-N 0 0 421.500 5.887 50 0 HKAARN Cc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1C 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571058818 /nfs/dbraw/zinc/05/88/18/571058818.db2.gz SVUBYQMCHZVJCG-UHFFFAOYSA-N 0 0 424.472 5.355 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)c(F)c2)cc1 ZINC000067259642 571058914 /nfs/dbraw/zinc/05/89/14/571058914.db2.gz BTASIOGMHKTGSJ-UHFFFAOYSA-N 0 0 424.472 5.355 50 0 HKAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2F)cc1 ZINC000067259644 571058830 /nfs/dbraw/zinc/05/88/30/571058830.db2.gz AJUVPNBFELWHBD-UHFFFAOYSA-N 0 0 424.472 5.355 50 0 HKAARN CCCCCn1c(=O)c2sccc2nc1SCc1ccc(C(C)(C)C)cc1 ZINC000067259655 571058833 /nfs/dbraw/zinc/05/88/33/571058833.db2.gz QTRCCZFMQYFEKF-UHFFFAOYSA-N 0 0 400.613 6.238 50 0 HKAARN Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 ZINC000067259888 571058923 /nfs/dbraw/zinc/05/89/23/571058923.db2.gz SNEIMVBGAXXSDE-UHFFFAOYSA-N 0 0 410.539 5.555 50 0 HKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1C ZINC000067259890 571058904 /nfs/dbraw/zinc/05/89/04/571058904.db2.gz FGHAKNPLADMTOS-UHFFFAOYSA-N 0 0 410.539 5.555 50 0 HKAARN C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067259893 571058826 /nfs/dbraw/zinc/05/88/26/571058826.db2.gz GMUUGSUHAUMVRP-UHFFFAOYSA-N 0 0 408.523 5.581 50 0 HKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1F ZINC000067259905 571058883 /nfs/dbraw/zinc/05/88/83/571058883.db2.gz CSVYUSIUHPLZJM-UHFFFAOYSA-N 0 0 400.475 5.077 50 0 HKAARN O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccccc1F ZINC000067259907 571058877 /nfs/dbraw/zinc/05/88/77/571058877.db2.gz KAQFZNRLNMSEJF-UHFFFAOYSA-N 0 0 418.465 5.216 50 0 HKAARN O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1Cc1ccccc1F ZINC000067259911 571059237 /nfs/dbraw/zinc/05/92/37/571059237.db2.gz NUOHCXVGCDADCL-UHFFFAOYSA-N 0 0 418.465 5.216 50 0 HKAARN O=c1c2sccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccccc1F ZINC000067259920 571059248 /nfs/dbraw/zinc/05/92/48/571059248.db2.gz FNWKGSIEGCZMAM-UHFFFAOYSA-N 0 0 418.465 5.216 50 0 HKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2F)n1Cc1ccccc1F ZINC000067259924 571059191 /nfs/dbraw/zinc/05/91/91/571059191.db2.gz YKRDAGHZHJISSJ-UHFFFAOYSA-N 0 0 418.465 5.216 50 0 HKAARN Cc1ccc(C)c(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)c1 ZINC000067260616 571059578 /nfs/dbraw/zinc/05/95/78/571059578.db2.gz UBOOZCIRAORKFA-UHFFFAOYSA-N 0 0 413.550 5.570 50 0 HKAARN Cc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1C ZINC000067260618 571059541 /nfs/dbraw/zinc/05/95/41/571059541.db2.gz WXVLEYNLTYWHRF-UHFFFAOYSA-N 0 0 413.550 5.570 50 0 HKAARN C=Cc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000067260622 571059599 /nfs/dbraw/zinc/05/95/99/571059599.db2.gz PRIDLCVGUPDRJY-UHFFFAOYSA-N 0 0 411.534 5.596 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccccc5F)n4ccn3n2)cc1C ZINC000067260633 571059588 /nfs/dbraw/zinc/05/95/88/571059588.db2.gz QVVOAXKXROPGNU-UHFFFAOYSA-N 0 0 403.486 5.092 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5cccc(F)c5)n4ccn3n2)cc1C ZINC000067260635 571059537 /nfs/dbraw/zinc/05/95/37/571059537.db2.gz BUGLQNLDCFNSBG-UHFFFAOYSA-N 0 0 403.486 5.092 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5)n4ccn3n2)cc1C ZINC000067260636 571059547 /nfs/dbraw/zinc/05/95/47/571059547.db2.gz LUJOTHPSZHBMKB-UHFFFAOYSA-N 0 0 403.486 5.092 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5cc(F)cc(F)c5)n4ccn3n2)cc1C ZINC000067260638 571059590 /nfs/dbraw/zinc/05/95/90/571059590.db2.gz WBGHNEKCHUFEKC-UHFFFAOYSA-N 0 0 421.476 5.231 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccccc5Cl)n4ccn3n2)cc1C ZINC000067260639 571059557 /nfs/dbraw/zinc/05/95/57/571059557.db2.gz SPBJSNQIEURRMG-UHFFFAOYSA-N 0 0 419.941 5.607 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5cccc(Cl)c5)n4ccn3n2)cc1C ZINC000067260640 571059530 /nfs/dbraw/zinc/05/95/30/571059530.db2.gz OYABFMSBQDNLEN-UHFFFAOYSA-N 0 0 419.941 5.607 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(Cl)cc5)n4ccn3n2)cc1C ZINC000067260642 571059606 /nfs/dbraw/zinc/05/96/06/571059606.db2.gz WOBNXLHBFMSPDC-UHFFFAOYSA-N 0 0 419.941 5.607 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5cc(F)ccc5F)n4ccn3n2)cc1C ZINC000067260647 571059608 /nfs/dbraw/zinc/05/96/08/571059608.db2.gz FTAMDLYZJFUBSH-UHFFFAOYSA-N 0 0 421.476 5.231 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)c(F)c5)n4ccn3n2)cc1C ZINC000067260656 571059567 /nfs/dbraw/zinc/05/95/67/571059567.db2.gz KRQCQXPYMOFWAL-UHFFFAOYSA-N 0 0 421.476 5.231 50 0 HKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5F)n4ccn3n2)cc1C ZINC000067260659 571059605 /nfs/dbraw/zinc/05/96/05/571059605.db2.gz AFDXQXDEJBEFHK-UHFFFAOYSA-N 0 0 421.476 5.231 50 0 HKAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1c(F)cccc1Cl ZINC000067260758 571059555 /nfs/dbraw/zinc/05/95/55/571059555.db2.gz IZDVNTAZYFKHIO-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1ccc(F)cc1Cl ZINC000067260759 571059622 /nfs/dbraw/zinc/05/96/22/571059622.db2.gz XYMXDPSJYXTVJN-UHFFFAOYSA-N 0 0 403.844 5.157 50 0 HKAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1cccc(C(F)(F)F)c1 ZINC000067260762 571059616 /nfs/dbraw/zinc/05/96/16/571059616.db2.gz JEBMKSUNTCBUBK-UHFFFAOYSA-N 0 0 419.406 5.383 50 0 HKAARN CC(C)c1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000067261382 571060126 /nfs/dbraw/zinc/06/01/26/571060126.db2.gz IELAKHOJUGBRTM-UHFFFAOYSA-N 0 0 411.484 5.819 50 0 HKAARN CCOc1cccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)c1 ZINC000067261385 571060284 /nfs/dbraw/zinc/06/02/84/571060284.db2.gz KDKGGYQIXUDFLD-UHFFFAOYSA-N 0 0 413.456 5.094 50 0 HKAARN CCOc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000067261387 571060159 /nfs/dbraw/zinc/06/01/59/571060159.db2.gz AEZVYKLIDVCFIJ-UHFFFAOYSA-N 0 0 413.456 5.094 50 0 HKAARN CSc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000067261393 571060227 /nfs/dbraw/zinc/06/02/27/571060227.db2.gz LUBDIVOXACCQPM-UHFFFAOYSA-N 0 0 415.497 5.418 50 0 HKAARN Fc1ccc(-c2nnn3c2nc(NCc2ccc(Cl)cc2)c2ccccc23)cc1 ZINC000067261398 571060257 /nfs/dbraw/zinc/06/02/57/571060257.db2.gz IIRVONQHPNOBDZ-UHFFFAOYSA-N 0 0 403.848 5.349 50 0 HKAARN Fc1ccc(-c2nnn3c2nc(NCc2ccc(F)cc2Cl)c2ccccc23)cc1 ZINC000067261402 571060269 /nfs/dbraw/zinc/06/02/69/571060269.db2.gz KNXFFSOVWZDONI-UHFFFAOYSA-N 0 0 421.838 5.488 50 0 HKAARN C[C@H](Nc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12)c1ccc(F)cc1 ZINC000067261412 571060294 /nfs/dbraw/zinc/06/02/94/571060294.db2.gz ZMGZSQQKWWLPCQ-AWEZNQCLSA-N 0 0 401.420 5.396 50 0 HKAARN C[C@@H](Nc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12)c1ccc(F)cc1 ZINC000067261414 571060222 /nfs/dbraw/zinc/06/02/22/571060222.db2.gz ZMGZSQQKWWLPCQ-CQSZACIVSA-N 0 0 401.420 5.396 50 0 HKAARN Fc1ccc(-c2nnn3c2nc(NCCc2ccc(Cl)cc2)c2ccccc23)cc1 ZINC000067261417 571060171 /nfs/dbraw/zinc/06/01/71/571060171.db2.gz ALLBJGKXRFWEOV-UHFFFAOYSA-N 0 0 417.875 5.392 50 0 HKAARN COc1ccc([C@H](C)Nc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 ZINC000067261437 571060288 /nfs/dbraw/zinc/06/02/88/571060288.db2.gz SKDXYCXMTLVAOF-HNNXBMFYSA-N 0 0 413.456 5.265 50 0 HKAARN COc1ccc([C@@H](C)Nc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 ZINC000067261439 571060344 /nfs/dbraw/zinc/06/03/44/571060344.db2.gz SKDXYCXMTLVAOF-OAHLLOKOSA-N 0 0 413.456 5.265 50 0 HKAARN Clc1cccc(-c2nnn3c2nc(NCCC2=CCCCC2)c2ccccc23)c1 ZINC000067261447 571060194 /nfs/dbraw/zinc/06/01/94/571060194.db2.gz FRTJQDRXCLGOMO-UHFFFAOYSA-N 0 0 403.917 5.900 50 0 HKAARN CCc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261449 571060327 /nfs/dbraw/zinc/06/03/27/571060327.db2.gz NJOGRDQIIUSIQZ-UHFFFAOYSA-N 0 0 413.912 5.772 50 0 HKAARN COc1cccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c1 ZINC000067261453 571060233 /nfs/dbraw/zinc/06/02/33/571060233.db2.gz CTPFKVOVOCVADD-UHFFFAOYSA-N 0 0 415.884 5.219 50 0 HKAARN COc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261455 571060316 /nfs/dbraw/zinc/06/03/16/571060316.db2.gz FGBUFJIGDUTJRG-UHFFFAOYSA-N 0 0 415.884 5.219 50 0 HKAARN Fc1ccccc1CNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261472 571060116 /nfs/dbraw/zinc/06/01/16/571060116.db2.gz LLUUZQFDBDDDBD-UHFFFAOYSA-N 0 0 403.848 5.349 50 0 HKAARN Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261473 571060208 /nfs/dbraw/zinc/06/02/08/571060208.db2.gz ZBEIMKPFCVTAAL-UHFFFAOYSA-N 0 0 403.848 5.349 50 0 HKAARN Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c(F)c1 ZINC000067261475 571060260 /nfs/dbraw/zinc/06/02/60/571060260.db2.gz AEPSYNUVBUAPJU-UHFFFAOYSA-N 0 0 421.838 5.488 50 0 HKAARN Fc1cc(F)cc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c1 ZINC000067261476 571060251 /nfs/dbraw/zinc/06/02/51/571060251.db2.gz GHGASDXNSPOGKN-UHFFFAOYSA-N 0 0 421.838 5.488 50 0 HKAARN Clc1cccc(-c2nnn3c2nc(NCc2ccccc2Cl)c2ccccc23)c1 ZINC000067261478 571060139 /nfs/dbraw/zinc/06/01/39/571060139.db2.gz KABXYVJOXORFQU-UHFFFAOYSA-N 0 0 420.303 5.863 50 0 HKAARN Clc1cccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)c1 ZINC000067261480 571060279 /nfs/dbraw/zinc/06/02/79/571060279.db2.gz KVAXRGKVHKIWLK-UHFFFAOYSA-N 0 0 420.303 5.863 50 0 HKAARN Clc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)cc1 ZINC000067261482 571060312 /nfs/dbraw/zinc/06/03/12/571060312.db2.gz CGCSOWQTZSUELX-UHFFFAOYSA-N 0 0 420.303 5.863 50 0 HKAARN C[C@H](Nc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21)c1ccc(F)cc1 ZINC000067261501 571060186 /nfs/dbraw/zinc/06/01/86/571060186.db2.gz ZSQLURXCXUXROF-AWEZNQCLSA-N 0 0 417.875 5.910 50 0 HKAARN C[C@@H](Nc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21)c1ccc(F)cc1 ZINC000067261503 571060106 /nfs/dbraw/zinc/06/01/06/571060106.db2.gz ZSQLURXCXUXROF-CQSZACIVSA-N 0 0 417.875 5.910 50 0 HKAARN Clc1cccc(-c2nnn3c2nc(NCCc2cccs2)c2ccccc23)c1 ZINC000067261510 571060114 /nfs/dbraw/zinc/06/01/14/571060114.db2.gz HBWYCBXOMUBDJX-UHFFFAOYSA-N 0 0 405.914 5.314 50 0 HKAARN Clc1cccc(-c2nnn3c2nc(NCCCc2ccccc2)c2ccccc23)c1 ZINC000067261511 571060203 /nfs/dbraw/zinc/06/02/03/571060203.db2.gz SWOSCJQEFNJSCC-UHFFFAOYSA-N 0 0 413.912 5.643 50 0 HKAARN Cc1ccccc1-c1nnn2c1nc(NCc1ccc(C(C)C)cc1)c1ccccc12 ZINC000067262159 571061328 /nfs/dbraw/zinc/06/13/28/571061328.db2.gz PYSVDMNKQBTMOJ-UHFFFAOYSA-N 0 0 407.521 5.988 50 0 HKAARN CCOc1ccc(CNc2nc3c(-c4ccccc4C)nnn3c3ccccc32)cc1 ZINC000067262163 571061434 /nfs/dbraw/zinc/06/14/34/571061434.db2.gz GDCCZDANOHPEMS-UHFFFAOYSA-N 0 0 409.493 5.264 50 0 HKAARN CCCOc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262182 571061451 /nfs/dbraw/zinc/06/14/51/571061451.db2.gz QUDLUZKYWYLPNP-UHFFFAOYSA-N 0 0 409.493 5.345 50 0 HKAARN Fc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c(Cl)c1 ZINC000067262201 571061457 /nfs/dbraw/zinc/06/14/57/571061457.db2.gz PGYZTGOXEHGIAK-UHFFFAOYSA-N 0 0 403.848 5.349 50 0 HKAARN FC(F)(F)c1ccccc1CNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000067262202 571061496 /nfs/dbraw/zinc/06/14/96/571061496.db2.gz VDPXWHWSBJVDJP-UHFFFAOYSA-N 0 0 419.410 5.575 50 0 HKAARN FC(F)(F)c1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262204 571061502 /nfs/dbraw/zinc/06/15/02/571061502.db2.gz MJAJIWVMHQDQJT-UHFFFAOYSA-N 0 0 419.410 5.575 50 0 HKAARN FC(F)(F)c1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262206 571061404 /nfs/dbraw/zinc/06/14/04/571061404.db2.gz SHAWJDRLTXXBLW-UHFFFAOYSA-N 0 0 419.410 5.575 50 0 HKAARN CC(C)Oc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262233 571061528 /nfs/dbraw/zinc/06/15/28/571061528.db2.gz BZBHKGSFLAPQOP-UHFFFAOYSA-N 0 0 409.493 5.344 50 0 HKAARN Fc1ccc(-c2nnn3c2nc(N2CC=C(c4ccccc4)CC2)c2ccccc23)cc1 ZINC000067262669 571061859 /nfs/dbraw/zinc/06/18/59/571061859.db2.gz PGNLEJOYDXGSLW-UHFFFAOYSA-N 0 0 421.479 5.377 50 0 HKAARN Clc1cccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)c1 ZINC000067262682 571061815 /nfs/dbraw/zinc/06/18/15/571061815.db2.gz DDLBNHDOFQEJLB-UHFFFAOYSA-N 0 0 411.896 5.161 50 0 HKAARN c1ccc(-c2nnn3c2nc(N2CC=C(c4ccccc4)CC2)c2ccccc23)cc1 ZINC000067263306 571061785 /nfs/dbraw/zinc/06/17/85/571061785.db2.gz PCUJYXIGPNPTHP-UHFFFAOYSA-N 0 0 403.489 5.238 50 0 HKAARN Clc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1 ZINC000067284744 571063548 /nfs/dbraw/zinc/06/35/48/571063548.db2.gz WERACMBQPRIQFM-UHFFFAOYSA-N 0 0 402.929 5.509 50 0 HKAARN Clc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)cc1 ZINC000067284803 571063562 /nfs/dbraw/zinc/06/35/62/571063562.db2.gz HFMZJEYXGKFMSV-UHFFFAOYSA-N 0 0 424.335 5.030 50 0 HKAARN Clc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1 ZINC000067284804 571063552 /nfs/dbraw/zinc/06/35/52/571063552.db2.gz LZPIFMXRPNKWDB-UHFFFAOYSA-N 0 0 424.335 5.030 50 0 HKAARN Clc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)cc1 ZINC000067284806 571063805 /nfs/dbraw/zinc/06/38/05/571063805.db2.gz OUYQGMKAXWXJEX-UHFFFAOYSA-N 0 0 424.335 5.030 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC000067287950 571065815 /nfs/dbraw/zinc/06/58/15/571065815.db2.gz HJMSSJRXFVMPTI-UHFFFAOYSA-N 0 0 417.528 5.069 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCCC1 ZINC000067288133 571065518 /nfs/dbraw/zinc/06/55/18/571065518.db2.gz RNAXIDKAFHDIKG-UHFFFAOYSA-N 0 0 415.512 5.294 50 0 HKAARN CCCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288224 571066180 /nfs/dbraw/zinc/06/61/80/571066180.db2.gz SHRKMMTYZUZYEQ-UHFFFAOYSA-N 0 0 407.489 5.011 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCC1 ZINC000067288255 571066273 /nfs/dbraw/zinc/06/62/73/571066273.db2.gz QGPIQJZIVJKDRH-UHFFFAOYSA-N 0 0 401.844 5.015 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCC1 ZINC000067288258 571066201 /nfs/dbraw/zinc/06/62/01/571066201.db2.gz DHFHQTKXDOPKMB-UHFFFAOYSA-N 0 0 401.844 5.015 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCCC1 ZINC000067288260 571066301 /nfs/dbraw/zinc/06/63/01/571066301.db2.gz PGJDRJBPEOIELZ-UHFFFAOYSA-N 0 0 417.406 5.241 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000067288261 571066293 /nfs/dbraw/zinc/06/62/93/571066293.db2.gz SHNICUXWRFOXLN-UHFFFAOYSA-N 0 0 417.406 5.241 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000067288264 571066136 /nfs/dbraw/zinc/06/61/36/571066136.db2.gz UDCVKIPDVRFTPE-UHFFFAOYSA-N 0 0 417.406 5.241 50 0 HKAARN CC(C)Oc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288303 571066074 /nfs/dbraw/zinc/06/60/74/571066074.db2.gz BMQDMGOJZWVVCL-UHFFFAOYSA-N 0 0 407.489 5.009 50 0 HKAARN CC(C)c1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288322 571066290 /nfs/dbraw/zinc/06/62/90/571066290.db2.gz XOCNSWFUKPFUJJ-UHFFFAOYSA-N 0 0 423.944 5.096 50 0 HKAARN CCOc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000067288455 571066173 /nfs/dbraw/zinc/06/61/73/571066173.db2.gz JBSJFNRMETWTKH-UHFFFAOYSA-N 0 0 407.489 5.011 50 0 HKAARN CCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288458 571066305 /nfs/dbraw/zinc/06/63/05/571066305.db2.gz OPEYUFGIIPQEOE-UHFFFAOYSA-N 0 0 407.489 5.011 50 0 HKAARN CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288460 571066311 /nfs/dbraw/zinc/06/63/11/571066311.db2.gz NWYXCHMQFFDABH-UHFFFAOYSA-N 0 0 421.516 5.401 50 0 HKAARN CSc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288472 571066195 /nfs/dbraw/zinc/06/61/95/571066195.db2.gz SDPGJTMHMYUBHP-UHFFFAOYSA-N 0 0 409.530 5.334 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 ZINC000067288484 571066208 /nfs/dbraw/zinc/06/62/08/571066208.db2.gz DMMSVERODIOSGC-UHFFFAOYSA-N 0 0 415.871 5.405 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000067288487 571066216 /nfs/dbraw/zinc/06/62/16/571066216.db2.gz 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ZINC000067289747 571066452 /nfs/dbraw/zinc/06/64/52/571066452.db2.gz UPINJFIIJRWJCK-UHFFFAOYSA-N 0 0 420.582 5.112 50 0 HKAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289767 571066593 /nfs/dbraw/zinc/06/65/93/571066593.db2.gz OFUANJKSUXPMTI-UHFFFAOYSA-N 0 0 416.550 5.306 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1C ZINC000067289797 571066534 /nfs/dbraw/zinc/06/65/34/571066534.db2.gz NGMSNKRBBUKVGA-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289800 571066905 /nfs/dbraw/zinc/06/69/05/571066905.db2.gz TVAQBYYGCSOOFQ-UHFFFAOYSA-N 0 0 402.523 5.052 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1C ZINC000067289807 571066834 /nfs/dbraw/zinc/06/68/34/571066834.db2.gz BXTGIZCZVBUDOC-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(C)c1 ZINC000067289818 571066846 /nfs/dbraw/zinc/06/68/46/571066846.db2.gz GYJDWIZJNFZEIH-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1C ZINC000067289826 571066898 /nfs/dbraw/zinc/06/68/98/571066898.db2.gz OAYNOTIWGICFAE-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1C ZINC000067289830 571066873 /nfs/dbraw/zinc/06/68/73/571066873.db2.gz WLBBCMOZEVEERI-UHFFFAOYSA-N 0 0 424.476 5.022 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1C ZINC000067289850 571066926 /nfs/dbraw/zinc/06/69/26/571066926.db2.gz RCFLHCPIVGZTAU-UHFFFAOYSA-N 0 0 420.513 5.191 50 0 HKAARN CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289853 571066914 /nfs/dbraw/zinc/06/69/14/571066914.db2.gz XRCAFOJCMNBPKA-UHFFFAOYSA-N 0 0 416.550 5.306 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1C ZINC000067289868 571066936 /nfs/dbraw/zinc/06/69/36/571066936.db2.gz DCNQFUSWUNKDMC-UHFFFAOYSA-N 0 0 422.941 5.397 50 0 HKAARN Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289872 571066901 /nfs/dbraw/zinc/06/69/01/571066901.db2.gz DQGZCVXBIJGBPQ-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1C ZINC000067289900 571066861 /nfs/dbraw/zinc/06/68/61/571066861.db2.gz CWPWSOVQLDAHLR-UHFFFAOYSA-N 0 0 424.476 5.022 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4C)nccn3n2)cc1C ZINC000067289944 571066892 /nfs/dbraw/zinc/06/68/92/571066892.db2.gz WUIPDXAKWPQRJH-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN Cc1cccc(N(C)C(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289947 571066950 /nfs/dbraw/zinc/06/69/50/571066950.db2.gz PEDYFMQDHPVJDM-UHFFFAOYSA-N 0 0 416.550 5.077 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1C ZINC000067290021 571066946 /nfs/dbraw/zinc/06/69/46/571066946.db2.gz OFUUMDIYEMCUDW-UHFFFAOYSA-N 0 0 416.550 5.361 50 0 HKAARN CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1 ZINC000067290088 571066829 /nfs/dbraw/zinc/06/68/29/571066829.db2.gz OBAXNUPRXTXEOD-UHFFFAOYSA-N 0 0 408.552 5.312 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290122 571066843 /nfs/dbraw/zinc/06/68/43/571066843.db2.gz NXHVBJHBOQHLQV-UHFFFAOYSA-N 0 0 414.943 5.150 50 0 HKAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c(Cl)c1 ZINC000067290127 571066943 /nfs/dbraw/zinc/06/69/43/571066943.db2.gz LSYZAXNQLLEGGG-UHFFFAOYSA-N 0 0 414.943 5.150 50 0 HKAARN CCc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290147 571066818 /nfs/dbraw/zinc/06/68/18/571066818.db2.gz WLLUIWIJWXQKLJ-UHFFFAOYSA-N 0 0 408.552 5.059 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290157 571066835 /nfs/dbraw/zinc/06/68/35/571066835.db2.gz NGHJEQPUHWBYBU-UHFFFAOYSA-N 0 0 414.943 5.150 50 0 HKAARN Cc1cccc(Cl)c1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290210 571066923 /nfs/dbraw/zinc/06/69/23/571066923.db2.gz LWMVYRMFDLOBFB-UHFFFAOYSA-N 0 0 414.943 5.150 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1 ZINC000067290213 571066930 /nfs/dbraw/zinc/06/69/30/571066930.db2.gz SEHCUROKMIETAE-UHFFFAOYSA-N 0 0 422.579 5.531 50 0 HKAARN CC(C)c1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290229 571066907 /nfs/dbraw/zinc/06/69/07/571066907.db2.gz CYHYSWMFHCVSDD-UHFFFAOYSA-N 0 0 408.552 5.312 50 0 HKAARN CC(C)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292777 571068343 /nfs/dbraw/zinc/06/83/43/571068343.db2.gz MXZCAROMKYGZBE-VUFATCQFSA-N 0 0 424.928 5.351 50 0 HKAARN CC(C)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292780 571068380 /nfs/dbraw/zinc/06/83/80/571068380.db2.gz MXZCAROMKYGZBE-XFMXRJAISA-N 0 0 424.928 5.351 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067292784 571068225 /nfs/dbraw/zinc/06/82/25/571068225.db2.gz ARCFQZFWVWKLKY-VUFATCQFSA-N 0 0 424.928 5.351 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067292792 571068261 /nfs/dbraw/zinc/06/82/61/571068261.db2.gz ARCFQZFWVWKLKY-XFMXRJAISA-N 0 0 424.928 5.351 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1C ZINC000067293136 571068784 /nfs/dbraw/zinc/06/87/84/571068784.db2.gz LCFHSTAKMUZMNF-RWEWTDSWSA-N 0 0 406.869 5.458 50 0 HKAARN Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293138 571068768 /nfs/dbraw/zinc/06/87/68/571068768.db2.gz BTXGXLDXUFEIQS-RWEWTDSWSA-N 0 0 406.869 5.458 50 0 HKAARN CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293140 571068773 /nfs/dbraw/zinc/06/87/73/571068773.db2.gz NJJVWLNLJRSGSL-RWEWTDSWSA-N 0 0 406.869 5.404 50 0 HKAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 ZINC000067293142 571068786 /nfs/dbraw/zinc/06/87/86/571068786.db2.gz QZCSAAQPUKHPED-RWEWTDSWSA-N 0 0 406.869 5.404 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 ZINC000067293144 571068735 /nfs/dbraw/zinc/06/87/35/571068735.db2.gz YYNDUFVWIOMNKT-PNHLSOANSA-N 0 0 420.896 5.965 50 0 HKAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1C ZINC000067293147 571068782 /nfs/dbraw/zinc/06/87/82/571068782.db2.gz WQUJMDIQZZTERO-RWEWTDSWSA-N 0 0 406.869 5.458 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c(C)c1 ZINC000067293149 571068792 /nfs/dbraw/zinc/06/87/92/571068792.db2.gz YHXYNFUTJHTVSG-RWEWTDSWSA-N 0 0 406.869 5.458 50 0 HKAARN Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293151 571068712 /nfs/dbraw/zinc/06/87/12/571068712.db2.gz YOJSSWFLGZJOOR-RWEWTDSWSA-N 0 0 406.869 5.458 50 0 HKAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NCc1ccco1 ZINC000067293174 571069172 /nfs/dbraw/zinc/06/91/72/571069172.db2.gz WUAIDDCECIMMDE-RWEWTDSWSA-N 0 0 422.868 5.240 50 0 HKAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 ZINC000067293175 571069019 /nfs/dbraw/zinc/06/90/19/571069019.db2.gz WATQFGBPXQKITK-RWEWTDSWSA-N 0 0 422.868 5.240 50 0 HKAARN CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293178 571069014 /nfs/dbraw/zinc/06/90/14/571069014.db2.gz ZYQJINKICSDROX-LVWGJNHUSA-N 0 0 424.909 5.564 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(C)C)c3)oc21 ZINC000067293452 571069008 /nfs/dbraw/zinc/06/90/08/571069008.db2.gz YJNMTUJCSUOGSJ-RFBIWTDZSA-N 0 0 413.477 5.445 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C(C)C)cc3)oc21 ZINC000067293456 571069142 /nfs/dbraw/zinc/06/91/42/571069142.db2.gz XYEJVQHMXFTVOS-RFBIWTDZSA-N 0 0 413.477 5.445 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(SC)c3)oc21 ZINC000067293486 571069175 /nfs/dbraw/zinc/06/91/75/571069175.db2.gz FJUJTDRRIHWSLR-BZZOAKBMSA-N 0 0 417.490 5.043 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3Cl)oc21 ZINC000067293559 571069167 /nfs/dbraw/zinc/06/91/67/571069167.db2.gz LMGFKKZEUDUMOT-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)ccc3Cl)oc21 ZINC000067293561 571069085 /nfs/dbraw/zinc/06/90/85/571069085.db2.gz ASSBXQFIJKDDMZ-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000067293565 571069140 /nfs/dbraw/zinc/06/91/40/571069140.db2.gz CEUJSCRVNHXSLH-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3F)oc21 ZINC000067293568 571069113 /nfs/dbraw/zinc/06/91/13/571069113.db2.gz QBUHHQWOKWUMBK-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)cc3F)oc21 ZINC000067293573 571069191 /nfs/dbraw/zinc/06/91/91/571069191.db2.gz SGVDWXSAAKJIFY-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067293617 571069118 /nfs/dbraw/zinc/06/91/18/571069118.db2.gz YPEKNDYQTHQGDB-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067293622 571069423 /nfs/dbraw/zinc/06/94/23/571069423.db2.gz RVMZXEHIRWDOGB-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067293627 571069453 /nfs/dbraw/zinc/06/94/53/571069453.db2.gz ZIVNBSLYNSCVIC-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067293633 571069460 /nfs/dbraw/zinc/06/94/60/571069460.db2.gz PVGJUGVFONAQOX-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067293635 571069415 /nfs/dbraw/zinc/06/94/15/571069415.db2.gz QLGJIEHUDJOAKS-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(SC)cc3)oc21 ZINC000067293647 571069403 /nfs/dbraw/zinc/06/94/03/571069403.db2.gz GJAAZSRGNSHSDH-BZZOAKBMSA-N 0 0 417.490 5.043 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067293654 571069398 /nfs/dbraw/zinc/06/93/98/571069398.db2.gz VAZKTJBMOGSETH-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067293662 571069486 /nfs/dbraw/zinc/06/94/86/571069486.db2.gz KIBDBENBYOJBJE-ROMGYVFFSA-N 0 0 423.831 5.114 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(C)C)c2)nc1 ZINC000067294237 571069723 /nfs/dbraw/zinc/06/97/23/571069723.db2.gz KUCSHTYICBDQHY-RFBIWTDZSA-N 0 0 413.477 5.450 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(C)C)cc2)nc1 ZINC000067294238 571069757 /nfs/dbraw/zinc/06/97/57/571069757.db2.gz MYSNOGBCAUWJMV-RFBIWTDZSA-N 0 0 413.477 5.450 50 0 HKAARN CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294278 571069809 /nfs/dbraw/zinc/06/98/09/571069809.db2.gz GEBBCZYHGIPDKX-BZZOAKBMSA-N 0 0 417.490 5.048 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2Cl)nc1 ZINC000067294347 571069695 /nfs/dbraw/zinc/06/96/95/571069695.db2.gz SAJGKNUSNRSXIW-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(Cl)c2)nc1 ZINC000067294355 571069831 /nfs/dbraw/zinc/06/98/31/571069831.db2.gz XLGHQTWQXVIMKD-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2F)nc1 ZINC000067294361 571069890 /nfs/dbraw/zinc/06/98/90/571069890.db2.gz RVURMVHEKCTXAX-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2F)nc1 ZINC000067294362 571069767 /nfs/dbraw/zinc/06/97/67/571069767.db2.gz DABOXKXWJBISFS-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2C)nc1 ZINC000067294395 571069762 /nfs/dbraw/zinc/06/97/62/571069762.db2.gz RLSACNLYINSYTB-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2C)nc1 ZINC000067294396 571069753 /nfs/dbraw/zinc/06/97/53/571069753.db2.gz KXRNIEHPSSSYBM-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2C)nc1 ZINC000067294398 571069872 /nfs/dbraw/zinc/06/98/72/571069872.db2.gz BNXUPDURGKMXPF-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2Cl)nc1 ZINC000067294404 571069838 /nfs/dbraw/zinc/06/98/38/571069838.db2.gz DJDXIQYJEDROIN-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(Cl)c2)nc1 ZINC000067294408 571069712 /nfs/dbraw/zinc/06/97/12/571069712.db2.gz MZHQPHBXHXHVAV-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294418 571069660 /nfs/dbraw/zinc/06/96/60/571069660.db2.gz XDPZMZDZCQJGOZ-BZZOAKBMSA-N 0 0 417.490 5.048 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)c(C)c2)nc1 ZINC000067294431 571070153 /nfs/dbraw/zinc/07/01/53/571070153.db2.gz RGORRJPNSDSCRT-RWEWTDSWSA-N 0 0 419.868 5.288 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000067294439 571070092 /nfs/dbraw/zinc/07/00/92/571070092.db2.gz ZAFAYYRGPWJBOM-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294447 571070095 /nfs/dbraw/zinc/07/00/95/571070095.db2.gz USAZOWBZJDBXFB-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294448 571070113 /nfs/dbraw/zinc/07/01/13/571070113.db2.gz SUQXDCIFYLPKKT-PNHLSOANSA-N 0 0 402.881 6.133 50 0 HKAARN CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294449 571070155 /nfs/dbraw/zinc/07/01/55/571070155.db2.gz AFTKHZWYXCOMJW-PNHLSOANSA-N 0 0 402.881 6.133 50 0 HKAARN CC(C)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294453 571070085 /nfs/dbraw/zinc/07/00/85/571070085.db2.gz SLAZBGINTRZEEN-FVDSYPCUSA-N 0 0 416.908 6.694 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294454 571070190 /nfs/dbraw/zinc/07/01/90/571070190.db2.gz MPRFMRLNJKPRFK-FVDSYPCUSA-N 0 0 416.908 6.694 50 0 HKAARN Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1C ZINC000067294457 571070125 /nfs/dbraw/zinc/07/01/25/571070125.db2.gz BJNDJSDIQDJFAA-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000067294458 571070202 /nfs/dbraw/zinc/07/02/02/571070202.db2.gz DMQHDPINNSUFMZ-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294459 571070175 /nfs/dbraw/zinc/07/01/75/571070175.db2.gz AICWYWIJLSCEPJ-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294473 571070148 /nfs/dbraw/zinc/07/01/48/571070148.db2.gz WNYPZDVBUCZLHR-PNHLSOANSA-N 0 0 418.880 5.970 50 0 HKAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294474 571070118 /nfs/dbraw/zinc/07/01/18/571070118.db2.gz OFNNSYNMMISDMN-PNHLSOANSA-N 0 0 418.880 5.970 50 0 HKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294476 571070149 /nfs/dbraw/zinc/07/01/49/571070149.db2.gz IPTSTTCDHXBDHX-RWEWTDSWSA-N 0 0 420.921 6.293 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067294478 571070201 /nfs/dbraw/zinc/07/02/01/571070201.db2.gz ZLDCMPSOKKUULC-RWEWTDSWSA-N 0 0 418.836 5.300 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000067294519 571070156 /nfs/dbraw/zinc/07/01/56/571070156.db2.gz MQNHVXLMJLJKSJ-QYQHSDTDSA-N 0 0 410.807 5.849 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F ZINC000067294522 571070180 /nfs/dbraw/zinc/07/01/80/571070180.db2.gz OJYNQCULTHRVMY-QYQHSDTDSA-N 0 0 410.807 5.849 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 ZINC000067294528 571070195 /nfs/dbraw/zinc/07/01/95/571070195.db2.gz GZEJKGWQIWIATD-QYQHSDTDSA-N 0 0 410.807 5.849 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067294531 571070104 /nfs/dbraw/zinc/07/01/04/571070104.db2.gz YHSSYNLCGCLSNF-QYQHSDTDSA-N 0 0 410.807 5.849 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccccc1Cl ZINC000067294534 571070157 /nfs/dbraw/zinc/07/01/57/571070157.db2.gz KCUGQMRWGHFYFO-ROMGYVFFSA-N 0 0 409.272 6.224 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 ZINC000067294538 571070099 /nfs/dbraw/zinc/07/00/99/571070099.db2.gz JDNPQTDBRLTICV-ROMGYVFFSA-N 0 0 409.272 6.224 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000067294570 571070145 /nfs/dbraw/zinc/07/01/45/571070145.db2.gz BYPQSQVZMLDTOD-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1F ZINC000067294576 571070102 /nfs/dbraw/zinc/07/01/02/571070102.db2.gz GWKIQKYBHVAJBK-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294579 571070107 /nfs/dbraw/zinc/07/01/07/571070107.db2.gz CLCVMQDYKMNYQX-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294582 571070186 /nfs/dbraw/zinc/07/01/86/571070186.db2.gz GNZSOHATHNJBHP-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1c(Cl)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294588 571070150 /nfs/dbraw/zinc/07/01/50/571070150.db2.gz ZJWNLQBXICMTTP-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN Cc1cc(Cl)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294592 571070140 /nfs/dbraw/zinc/07/01/40/571070140.db2.gz CYZNMSSNAPDFOG-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN Cc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294597 571070147 /nfs/dbraw/zinc/07/01/47/571070147.db2.gz CZGUJVXEZFGSMM-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000067294600 571070199 /nfs/dbraw/zinc/07/01/99/571070199.db2.gz VYYORMHAXCWILB-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000067294606 571070074 /nfs/dbraw/zinc/07/00/74/571070074.db2.gz MKKRSRYKESFWBN-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000067294610 571070081 /nfs/dbraw/zinc/07/00/81/571070081.db2.gz OGNRZXSPNTVPGQ-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000067294621 571070160 /nfs/dbraw/zinc/07/01/60/571070160.db2.gz HLAJRGPICQDMKA-RWEWTDSWSA-N 0 0 420.921 6.293 50 0 HKAARN Cc1ccc(F)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000067294624 571070143 /nfs/dbraw/zinc/07/01/43/571070143.db2.gz RGOMVERXPGPJHM-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC000067294625 571070183 /nfs/dbraw/zinc/07/01/83/571070183.db2.gz GVPKNEVQQOUIHR-VYIQYICTSA-N 0 0 423.299 6.533 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1F ZINC000067294629 571070086 /nfs/dbraw/zinc/07/00/86/571070086.db2.gz MMUMZCDKQZZHMS-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN Cc1c(F)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067294637 571070096 /nfs/dbraw/zinc/07/00/96/571070096.db2.gz KIFPYWOLYQKQCY-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)n1 ZINC000067294830 571070089 /nfs/dbraw/zinc/07/00/89/571070089.db2.gz ZOLMEXUDVIUTNY-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294834 571070110 /nfs/dbraw/zinc/07/01/10/571070110.db2.gz GMWFDVPHKPEQRU-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)c(C)c2)n1 ZINC000067294836 571070120 /nfs/dbraw/zinc/07/01/20/571070120.db2.gz CWQZKZRNBIGXEY-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294842 571070116 /nfs/dbraw/zinc/07/01/16/571070116.db2.gz FRAPEPVIINKQDT-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294846 571070151 /nfs/dbraw/zinc/07/01/51/571070151.db2.gz WVIKFPGORLZGIU-PNHLSOANSA-N 0 0 417.896 5.837 50 0 HKAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067294848 571070128 /nfs/dbraw/zinc/07/01/28/571070128.db2.gz PXYPUAJEZBAOSX-PNHLSOANSA-N 0 0 417.896 5.837 50 0 HKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2C)n1 ZINC000067294854 571070459 /nfs/dbraw/zinc/07/04/59/571070459.db2.gz WOTLKFQUEVGXGK-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c(C)c1 ZINC000067294856 571070498 /nfs/dbraw/zinc/07/04/98/571070498.db2.gz CDHVTXCFUIYEGH-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294859 571070465 /nfs/dbraw/zinc/07/04/65/571070465.db2.gz SUPQYWGQISEJHE-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067294864 571070493 /nfs/dbraw/zinc/07/04/93/571070493.db2.gz YAHVQCDGEZHJTP-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2F)n1 ZINC000067294883 571070490 /nfs/dbraw/zinc/07/04/90/571070490.db2.gz MZTNEYPCNCOTHM-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1C ZINC000067294889 571070500 /nfs/dbraw/zinc/07/05/00/571070500.db2.gz LNBDYHWUGAGKKS-GFMRDNFCSA-N 0 0 409.898 5.644 50 0 HKAARN Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000067294891 571070462 /nfs/dbraw/zinc/07/04/62/571070462.db2.gz LGMQILAUQMKZPD-GFMRDNFCSA-N 0 0 409.898 5.644 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 ZINC000067294895 571070502 /nfs/dbraw/zinc/07/05/02/571070502.db2.gz KRXRVWTVPKGLLX-DAFNUICNSA-N 0 0 423.925 6.151 50 0 HKAARN COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000067294897 571070455 /nfs/dbraw/zinc/07/04/55/571070455.db2.gz GVMKZWYKJMMFPD-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F ZINC000067294940 571070488 /nfs/dbraw/zinc/07/04/88/571070488.db2.gz YFUPAZBZMULGHQ-MOHJPFBDSA-N 0 0 417.824 5.306 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1F ZINC000067294951 571070505 /nfs/dbraw/zinc/07/05/05/571070505.db2.gz BVAIQUOIAXFUFD-MOHJPFBDSA-N 0 0 417.824 5.306 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(F)c1 ZINC000067294953 571070457 /nfs/dbraw/zinc/07/04/57/571070457.db2.gz ZOXNQLCCRICDFR-MOHJPFBDSA-N 0 0 417.824 5.306 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067294957 571070466 /nfs/dbraw/zinc/07/04/66/571070466.db2.gz BFYDHKSLMCKYKE-MOHJPFBDSA-N 0 0 417.824 5.306 50 0 HKAARN O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl ZINC000067294960 571070456 /nfs/dbraw/zinc/07/04/56/571070456.db2.gz USEALBGEMFDAPH-NKFKGCMQSA-N 0 0 416.289 5.681 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)nc1 ZINC000067295140 571070470 /nfs/dbraw/zinc/07/04/70/571070470.db2.gz QTCQAUNFQWKUBC-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2)nc1 ZINC000067295143 571070451 /nfs/dbraw/zinc/07/04/51/571070451.db2.gz BNMZWGYDUCMFMH-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067295148 571070453 /nfs/dbraw/zinc/07/04/53/571070453.db2.gz SIWGRAZTMQZHTA-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)c(C)c2)nc1 ZINC000067295150 571070482 /nfs/dbraw/zinc/07/04/82/571070482.db2.gz IFNVBALDSCOIBM-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cc(C)cc(C)c2)nc1 ZINC000067295155 571070477 /nfs/dbraw/zinc/07/04/77/571070477.db2.gz LULJTIQVOVSGLI-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067295161 571070450 /nfs/dbraw/zinc/07/04/50/571070450.db2.gz UTMUMNPNKFLFCX-PNHLSOANSA-N 0 0 417.896 5.837 50 0 HKAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067295164 571070463 /nfs/dbraw/zinc/07/04/63/571070463.db2.gz OCGIPQGCYIZLSK-PNHLSOANSA-N 0 0 417.896 5.837 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2C)nc1 ZINC000067295170 571070475 /nfs/dbraw/zinc/07/04/75/571070475.db2.gz LSXJLFCYEPYLTF-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)cc2C)nc1 ZINC000067295173 571070501 /nfs/dbraw/zinc/07/05/01/571070501.db2.gz KDYDUFRRCHXFHT-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cc(C)ccc2C)nc1 ZINC000067295179 571070489 /nfs/dbraw/zinc/07/04/89/571070489.db2.gz VQLQZSDSAOSTDS-PNHLSOANSA-N 0 0 417.896 5.891 50 0 HKAARN COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067295186 571070449 /nfs/dbraw/zinc/07/04/49/571070449.db2.gz HELQUOYLPBYHDM-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067295192 571070454 /nfs/dbraw/zinc/07/04/54/571070454.db2.gz JWINRHNHSVVSJW-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2F)nc1 ZINC000067295221 571070484 /nfs/dbraw/zinc/07/04/84/571070484.db2.gz RHVSTEQNKLVKFO-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(F)c2)nc1 ZINC000067295225 571070479 /nfs/dbraw/zinc/07/04/79/571070479.db2.gz NMBHIOMOYMMDLF-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067295501 571070468 /nfs/dbraw/zinc/07/04/68/571070468.db2.gz UQMJAFSOJDRQBJ-MEFGMAGPSA-N 0 0 412.367 5.207 50 0 HKAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067295506 571070494 /nfs/dbraw/zinc/07/04/94/571070494.db2.gz SZGHCQZOBYQJMT-MEFGMAGPSA-N 0 0 412.367 5.207 50 0 HKAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067295514 571070467 /nfs/dbraw/zinc/07/04/67/571070467.db2.gz LUNBRDAMCYIIBH-MEFGMAGPSA-N 0 0 412.367 5.207 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(C)c3)oc21 ZINC000067295600 571070495 /nfs/dbraw/zinc/07/04/95/571070495.db2.gz CIUSASWPZKRCKV-RFBIWTDZSA-N 0 0 413.477 5.246 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)cc(C)c3)oc21 ZINC000067295603 571070511 /nfs/dbraw/zinc/07/05/11/571070511.db2.gz NZXGGAOWFMYQOA-RFBIWTDZSA-N 0 0 413.477 5.246 50 0 HKAARN CCc1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067295607 571070492 /nfs/dbraw/zinc/07/04/92/571070492.db2.gz FPSMNQXUZLNSDD-RFBIWTDZSA-N 0 0 413.477 5.192 50 0 HKAARN CCc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067295610 571070460 /nfs/dbraw/zinc/07/04/60/571070460.db2.gz KOUQEINRIAJBSZ-RFBIWTDZSA-N 0 0 413.477 5.192 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C)c3C)oc21 ZINC000067295621 571070518 /nfs/dbraw/zinc/07/05/18/571070518.db2.gz JHEMDIGSYBNBFB-RFBIWTDZSA-N 0 0 413.477 5.246 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3C)oc21 ZINC000067295624 571070473 /nfs/dbraw/zinc/07/04/73/571070473.db2.gz SAVLLJBASINSDO-RFBIWTDZSA-N 0 0 413.477 5.246 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)ccc3C)oc21 ZINC000067295628 571070816 /nfs/dbraw/zinc/07/08/16/571070816.db2.gz ZNTGFDYOMJJVEU-RFBIWTDZSA-N 0 0 413.477 5.246 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3Cl)oc21 ZINC000067295709 571070818 /nfs/dbraw/zinc/07/08/18/571070818.db2.gz NYKOKCYEQBQPLB-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(Cl)c3)oc21 ZINC000067295710 571070784 /nfs/dbraw/zinc/07/07/84/571070784.db2.gz PCZZFSLSHIRWSJ-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3F)oc21 ZINC000067295763 571070838 /nfs/dbraw/zinc/07/08/38/571070838.db2.gz PSAAOEKRCCULBT-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(F)c3)oc21 ZINC000067295766 571070782 /nfs/dbraw/zinc/07/07/82/571070782.db2.gz IKKCATYZCVMRIA-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3C)oc21 ZINC000067295770 571070834 /nfs/dbraw/zinc/07/08/34/571070834.db2.gz FTLHWYCEFWLCLZ-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)ccc3C)oc21 ZINC000067295773 571070862 /nfs/dbraw/zinc/07/08/62/571070862.db2.gz PGSQTYAOZXPMNQ-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)c(C)c3)oc21 ZINC000067295790 571070853 /nfs/dbraw/zinc/07/08/53/571070853.db2.gz VONYTDPRKSNSRS-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)ccc3F)oc21 ZINC000067295815 571070790 /nfs/dbraw/zinc/07/07/90/571070790.db2.gz NXOCPOXVBOPURA-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(F)c3C)oc21 ZINC000067295833 571070860 /nfs/dbraw/zinc/07/08/60/571070860.db2.gz ROHDUVXFVSTADN-PNHLSOANSA-N 0 0 417.440 5.077 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(C)C)c3)oc21 ZINC000067295840 571070795 /nfs/dbraw/zinc/07/07/95/571070795.db2.gz LYZRKGDFGXFYSX-LVWGJNHUSA-N 0 0 419.506 5.506 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C(C)C)cc3)oc21 ZINC000067295842 571070856 /nfs/dbraw/zinc/07/08/56/571070856.db2.gz DDBIAQRSMJSIKP-LVWGJNHUSA-N 0 0 419.506 5.506 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(SC)c3)oc21 ZINC000067295851 571070812 /nfs/dbraw/zinc/07/08/12/571070812.db2.gz VMAHKPAWFPLZED-ATJXCDBQSA-N 0 0 423.519 5.105 50 0 HKAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(SC)cc3)oc21 ZINC000067295976 571070827 /nfs/dbraw/zinc/07/08/27/571070827.db2.gz MUPGPLDJFYQRFI-ATJXCDBQSA-N 0 0 423.519 5.105 50 0 HKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067296120 571070804 /nfs/dbraw/zinc/07/08/04/571070804.db2.gz BXCBPUKSTRKSLD-BWAHOGKJSA-N 0 0 415.396 5.393 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1Cl ZINC000067296171 571070802 /nfs/dbraw/zinc/07/08/02/571070802.db2.gz AJJVLKSBTKRUJN-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 ZINC000067296177 571070868 /nfs/dbraw/zinc/07/08/68/571070868.db2.gz IYUIWRTVJHGISJ-NMWGTECJSA-N 0 0 411.870 5.036 50 0 HKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067296338 571071085 /nfs/dbraw/zinc/07/10/85/571071085.db2.gz GMBHAXXJSFKTCS-MEFGMAGPSA-N 0 0 409.367 5.331 50 0 HKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067296340 571071184 /nfs/dbraw/zinc/07/11/84/571071184.db2.gz SCECEDDYNQXCQF-MEFGMAGPSA-N 0 0 409.367 5.331 50 0 HKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067296343 571071064 /nfs/dbraw/zinc/07/10/64/571071064.db2.gz QABMKCPWFLUTAB-MEFGMAGPSA-N 0 0 409.367 5.331 50 0 HKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067296490 571071159 /nfs/dbraw/zinc/07/11/59/571071159.db2.gz GPDZWMUMABXSMZ-BZZOAKBMSA-N 0 0 401.491 5.343 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)nc1 ZINC000067296553 571071127 /nfs/dbraw/zinc/07/11/27/571071127.db2.gz MPFITXKAQJVKDM-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)nc1 ZINC000067296557 571071191 /nfs/dbraw/zinc/07/11/91/571071191.db2.gz FGFNVNZGLVQCAW-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)nc1 ZINC000067296560 571071142 /nfs/dbraw/zinc/07/11/42/571071142.db2.gz OPQGAOJEGXDIDM-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)nc1 ZINC000067296564 571071133 /nfs/dbraw/zinc/07/11/33/571071133.db2.gz QGUMFKGZWLJNKA-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)nc1 ZINC000067296567 571071081 /nfs/dbraw/zinc/07/10/81/571071081.db2.gz JYELMBRQCZSQSX-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)nc1 ZINC000067296571 571071110 /nfs/dbraw/zinc/07/11/10/571071110.db2.gz BCSGEPUVFKHCQZ-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)nc1 ZINC000067296575 571071121 /nfs/dbraw/zinc/07/11/21/571071121.db2.gz OYQYLRCJBSMFDY-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)nc1 ZINC000067296579 571071200 /nfs/dbraw/zinc/07/12/00/571071200.db2.gz DIVISTFHSMRHMR-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)nc1 ZINC000067296603 571071095 /nfs/dbraw/zinc/07/10/95/571071095.db2.gz OTFFMHCMUPOVDE-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)nc1 ZINC000067296608 571071125 /nfs/dbraw/zinc/07/11/25/571071125.db2.gz XSRXRIKLUOJWKT-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)nc1 ZINC000067296610 571071153 /nfs/dbraw/zinc/07/11/53/571071153.db2.gz HOVVPGOWGLFSQK-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)nc1 ZINC000067296618 571071091 /nfs/dbraw/zinc/07/10/91/571071091.db2.gz SJTAPMOTKSWGFW-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)nc1 ZINC000067296622 571071123 /nfs/dbraw/zinc/07/11/23/571071123.db2.gz MDUKMZQCKBCTTA-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1Cl ZINC000067296623 571071036 /nfs/dbraw/zinc/07/10/36/571071036.db2.gz TVIVQNWHDBWJHJ-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cn1 ZINC000067296627 571071088 /nfs/dbraw/zinc/07/10/88/571071088.db2.gz CRPTVRSERLNXBJ-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067296631 571071165 /nfs/dbraw/zinc/07/11/65/571071165.db2.gz KZIQJRBRPRXWLO-BZZOAKBMSA-N 0 0 401.491 5.343 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)nc1 ZINC000067296637 571071130 /nfs/dbraw/zinc/07/11/30/571071130.db2.gz YXJKWXDBZUEGDY-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)nc1 ZINC000067296644 571071075 /nfs/dbraw/zinc/07/10/75/571071075.db2.gz JSXVYDNWINOGGA-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067296721 571071067 /nfs/dbraw/zinc/07/10/67/571071067.db2.gz NZPQRSBNPPVCDP-BZZOAKBMSA-N 0 0 401.491 5.343 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)n1 ZINC000067296781 571071162 /nfs/dbraw/zinc/07/11/62/571071162.db2.gz WACCAZZDIVDZIS-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)n1 ZINC000067296783 571071071 /nfs/dbraw/zinc/07/10/71/571071071.db2.gz AAOIHMSFAIVBLI-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)n1 ZINC000067296787 571071155 /nfs/dbraw/zinc/07/11/55/571071155.db2.gz YRKFNOQGSDJHQD-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)n1 ZINC000067296788 571071043 /nfs/dbraw/zinc/07/10/43/571071043.db2.gz AEFRQZOAQNLGIX-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)n1 ZINC000067296793 571071169 /nfs/dbraw/zinc/07/11/69/571071169.db2.gz DTVKOVZNOCLJBI-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)n1 ZINC000067296797 571071055 /nfs/dbraw/zinc/07/10/55/571071055.db2.gz PONQRISSAFYSQD-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)n1 ZINC000067296799 571071149 /nfs/dbraw/zinc/07/11/49/571071149.db2.gz JJFFNCWSMPWQGK-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)n1 ZINC000067296804 571071174 /nfs/dbraw/zinc/07/11/74/571071174.db2.gz LGRFJYWZZGJTEX-SLMZUGIISA-N 0 0 423.394 5.640 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)n1 ZINC000067296821 571071099 /nfs/dbraw/zinc/07/10/99/571071099.db2.gz XLFCQXIOQQALBG-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)n1 ZINC000067296825 571071449 /nfs/dbraw/zinc/07/14/49/571071449.db2.gz IJDKYBDYMRXVEE-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)n1 ZINC000067296829 571071515 /nfs/dbraw/zinc/07/15/15/571071515.db2.gz KLDITDTYTOJSGV-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(Cl)c1 ZINC000067296835 571071505 /nfs/dbraw/zinc/07/15/05/571071505.db2.gz LPMRRRGDCGBUFW-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)n1 ZINC000067296843 571071454 /nfs/dbraw/zinc/07/14/54/571071454.db2.gz YOTXGRVASWIMOJ-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl ZINC000067296846 571071514 /nfs/dbraw/zinc/07/15/14/571071514.db2.gz YKOPDAUCVZDYSP-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C)n1 ZINC000067296849 571071403 /nfs/dbraw/zinc/07/14/03/571071403.db2.gz JYPRURGPJIKTJD-RWEWTDSWSA-N 0 0 419.868 5.283 50 0 HKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067296852 571071491 /nfs/dbraw/zinc/07/14/91/571071491.db2.gz NQJCWRNWCDSODA-BZZOAKBMSA-N 0 0 401.491 5.343 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)n1 ZINC000067296859 571071509 /nfs/dbraw/zinc/07/15/09/571071509.db2.gz TWZVSHGAOMRPQN-RWEWTDSWSA-N 0 0 403.869 5.583 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)n1 ZINC000067296867 571071406 /nfs/dbraw/zinc/07/14/06/571071406.db2.gz CEALZOZKYRNKAJ-ROMGYVFFSA-N 0 0 407.832 5.413 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000067296902 571071457 /nfs/dbraw/zinc/07/14/57/571071457.db2.gz OBIZDQWRFSIWIU-RFBIWTDZSA-N 0 0 414.461 5.243 50 0 HKAARN COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 ZINC000067296907 571071480 /nfs/dbraw/zinc/07/14/80/571071480.db2.gz LUNLBCNYVHEAMM-RFBIWTDZSA-N 0 0 414.461 5.243 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1OC ZINC000067296909 571071459 /nfs/dbraw/zinc/07/14/59/571071459.db2.gz BBMXUVMEVAFPPR-QPLCGJKRSA-N 0 0 414.461 5.243 50 0 HKAARN COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc(OC)c1 ZINC000067296913 571071473 /nfs/dbraw/zinc/07/14/73/571071473.db2.gz NSAMHYRRFXMBKL-QPLCGJKRSA-N 0 0 414.461 5.243 50 0 HKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 ZINC000067296928 571071426 /nfs/dbraw/zinc/07/14/26/571071426.db2.gz KNTAMTYNWATYDT-IZHYLOQSSA-N 0 0 400.503 5.948 50 0 HKAARN COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 ZINC000067296945 571071495 /nfs/dbraw/zinc/07/14/95/571071495.db2.gz GMFZDOVTTGVCTJ-LCUIJRPUSA-N 0 0 412.445 5.013 50 0 HKAARN COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 ZINC000067296955 571071498 /nfs/dbraw/zinc/07/14/98/571071498.db2.gz HBCQDESMOWYMDR-LCUIJRPUSA-N 0 0 412.445 5.013 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067296998 571071413 /nfs/dbraw/zinc/07/14/13/571071413.db2.gz JGZAWGLGZGIQPC-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl ZINC000067297003 571071409 /nfs/dbraw/zinc/07/14/09/571071409.db2.gz SDPLZRLZDITSKL-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067297006 571071488 /nfs/dbraw/zinc/07/14/88/571071488.db2.gz YYONAFHKSQMVHT-RWEWTDSWSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F ZINC000067297013 571071478 /nfs/dbraw/zinc/07/14/78/571071478.db2.gz IIDOIJMRPUSIRJ-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F ZINC000067297017 571071420 /nfs/dbraw/zinc/07/14/20/571071420.db2.gz JEZYXVDTTMLUAL-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067297023 571071483 /nfs/dbraw/zinc/07/14/83/571071483.db2.gz JRFQYTIFXWLUNF-NFFVHWSESA-N 0 0 422.406 6.245 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067297024 571071462 /nfs/dbraw/zinc/07/14/62/571071462.db2.gz DXTNUPBBRNKVBJ-NFFVHWSESA-N 0 0 422.406 6.245 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1C ZINC000067297042 571071465 /nfs/dbraw/zinc/07/14/65/571071465.db2.gz FOORLMBEKQVOIB-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1C ZINC000067297044 571071475 /nfs/dbraw/zinc/07/14/75/571071475.db2.gz MFVPKSYRIKCWQM-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C ZINC000067297047 571071452 /nfs/dbraw/zinc/07/14/52/571071452.db2.gz QVWXWHDLIMMYSW-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c(Cl)c1 ZINC000067297054 571071477 /nfs/dbraw/zinc/07/14/77/571071477.db2.gz NVQASLCJLZXIDO-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1Cl ZINC000067297055 571071511 /nfs/dbraw/zinc/07/15/11/571071511.db2.gz NGLJUWZVQMNFIN-LCUIJRPUSA-N 0 0 402.881 6.188 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1Cl ZINC000067297060 571071441 /nfs/dbraw/zinc/07/14/41/571071441.db2.gz NAERDXDSESOLKL-LCUIJRPUSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C ZINC000067297066 571071497 /nfs/dbraw/zinc/07/14/97/571071497.db2.gz GJFDJRNJZGPDPV-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 ZINC000067297067 571071423 /nfs/dbraw/zinc/07/14/23/571071423.db2.gz ZKMHOGARBXNQRE-IZHYLOQSSA-N 0 0 400.503 5.948 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)c(C)c1 ZINC000067297072 571071399 /nfs/dbraw/zinc/07/13/99/571071399.db2.gz CVFIRFLLBYPCBZ-LCUIJRPUSA-N 0 0 402.881 6.188 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1F ZINC000067297075 571071484 /nfs/dbraw/zinc/07/14/84/571071484.db2.gz CUDBNFJUCSDSMZ-LCUIJRPUSA-N 0 0 402.425 5.374 50 0 HKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F ZINC000067297079 571071401 /nfs/dbraw/zinc/07/14/01/571071401.db2.gz CKCJSOMYCPPIIZ-VYIQYICTSA-N 0 0 406.844 6.018 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(C)C)c2)c(C)c1 ZINC000067297106 571071394 /nfs/dbraw/zinc/07/13/94/571071394.db2.gz HRAFLZXULXSLSB-DQSJHHFOSA-N 0 0 410.517 6.658 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(C)C)cc2)c(C)c1 ZINC000067297112 571071435 /nfs/dbraw/zinc/07/14/35/571071435.db2.gz OEBQGKGRBZTOLA-DQSJHHFOSA-N 0 0 410.517 6.658 50 0 HKAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1C ZINC000067297144 571071410 /nfs/dbraw/zinc/07/14/10/571071410.db2.gz YUQDJVIKEAKQFM-SGEDCAFJSA-N 0 0 412.489 5.933 50 0 HKAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000067297145 571071503 /nfs/dbraw/zinc/07/15/03/571071503.db2.gz BFZYDXKVCFSASO-RQZHXJHFSA-N 0 0 412.489 5.933 50 0 HKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000067297149 571071447 /nfs/dbraw/zinc/07/14/47/571071447.db2.gz MTVCZPPWMWEBDX-QPLCGJKRSA-N 0 0 414.530 6.256 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCO3)c(C)c1 ZINC000067297156 571071430 /nfs/dbraw/zinc/07/14/30/571071430.db2.gz ZKHWABUGETZQAF-QPLCGJKRSA-N 0 0 412.445 5.263 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)c(C)c1 ZINC000067297197 571071467 /nfs/dbraw/zinc/07/14/67/571071467.db2.gz LPTPLOYLRRHHFX-COOPMVRXSA-N 0 0 404.416 5.813 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)c(C)c1 ZINC000067297203 571071501 /nfs/dbraw/zinc/07/15/01/571071501.db2.gz YEZSUWRNFOACJY-COOPMVRXSA-N 0 0 404.416 5.813 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)c(C)c1 ZINC000067297210 571071444 /nfs/dbraw/zinc/07/14/44/571071444.db2.gz DUOPWCURNWIALS-PNHLSOANSA-N 0 0 404.416 5.813 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)c(C)c1 ZINC000067297215 571071486 /nfs/dbraw/zinc/07/14/86/571071486.db2.gz HHIBNEYPQXTRBG-PNHLSOANSA-N 0 0 404.416 5.813 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2Cl)c(C)c1 ZINC000067297216 571071481 /nfs/dbraw/zinc/07/14/81/571071481.db2.gz APKROSNCOGMAAK-PNHLSOANSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)c(C)c1 ZINC000067297222 571071414 /nfs/dbraw/zinc/07/14/14/571071414.db2.gz JUWOTKUJULIZSP-LCUIJRPUSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)c(C)c1 ZINC000067297229 571071489 /nfs/dbraw/zinc/07/14/89/571071489.db2.gz AMSNTURLWXYDMO-LCUIJRPUSA-N 0 0 402.881 6.188 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)c(C)c1 ZINC000067297232 571071840 /nfs/dbraw/zinc/07/18/40/571071840.db2.gz VFJIBPRCNNKFDR-COOPMVRXSA-N 0 0 420.871 6.327 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)c(C)c1 ZINC000067297237 571071853 /nfs/dbraw/zinc/07/18/53/571071853.db2.gz LKLYCFQKCAIYNH-PNHLSOANSA-N 0 0 420.871 6.327 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)c(C)c1 ZINC000067297239 571071834 /nfs/dbraw/zinc/07/18/34/571071834.db2.gz YBEFMBYVHCYJDR-COOPMVRXSA-N 0 0 420.871 6.327 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)c(C)c1 ZINC000067297243 571071807 /nfs/dbraw/zinc/07/18/07/571071807.db2.gz PYUBYZUROXPKPL-COOPMVRXSA-N 0 0 420.871 6.327 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2F)c(C)c1 ZINC000067297264 571071760 /nfs/dbraw/zinc/07/17/60/571071760.db2.gz NTZDOPJSXLSOQY-FVDSYPCUSA-N 0 0 400.453 5.982 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2C)c(C)c1 ZINC000067297269 571071753 /nfs/dbraw/zinc/07/17/53/571071753.db2.gz FLAJHJSCCUIJFT-FVDSYPCUSA-N 0 0 400.453 5.982 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)c(C)c1 ZINC000067297273 571071811 /nfs/dbraw/zinc/07/18/11/571071811.db2.gz CUTKYVBEFODTES-FVDSYPCUSA-N 0 0 400.453 5.982 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)c(C)c1 ZINC000067297278 571071812 /nfs/dbraw/zinc/07/18/12/571071812.db2.gz ZUFDOKOQLAAEFY-FVDSYPCUSA-N 0 0 416.908 6.496 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)c(C)c1 ZINC000067297281 571071710 /nfs/dbraw/zinc/07/17/10/571071710.db2.gz OHXQDPFQLNGLGL-FVDSYPCUSA-N 0 0 416.908 6.496 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)c(C)c1 ZINC000067297285 571071756 /nfs/dbraw/zinc/07/17/56/571071756.db2.gz IYUUFWYBRFLIIX-FVDSYPCUSA-N 0 0 416.908 6.496 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(C)c2)c(C)c1 ZINC000067297289 571071746 /nfs/dbraw/zinc/07/17/46/571071746.db2.gz MIZCWXDWDROJFC-RFBIWTDZSA-N 0 0 400.453 5.982 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)c(C)c1 ZINC000067297293 571071768 /nfs/dbraw/zinc/07/17/68/571071768.db2.gz ZBXWYGKPJFDCGH-FVDSYPCUSA-N 0 0 416.908 6.496 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)c(C)c1 ZINC000067297299 571071851 /nfs/dbraw/zinc/07/18/51/571071851.db2.gz KNCXAGNJCGQOGK-RFBIWTDZSA-N 0 0 416.908 6.496 50 0 HKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000067297312 571071715 /nfs/dbraw/zinc/07/17/15/571071715.db2.gz UYGKLHXZNPFENC-QPLCGJKRSA-N 0 0 414.530 6.256 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2F)c(C)c1 ZINC000067297315 571071733 /nfs/dbraw/zinc/07/17/33/571071733.db2.gz HOZUBMSPDRFTQA-FVDSYPCUSA-N 0 0 400.453 5.982 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)c(C)c1 ZINC000067297319 571071821 /nfs/dbraw/zinc/07/18/21/571071821.db2.gz HXYKKQVIGBAIGT-RFBIWTDZSA-N 0 0 416.908 6.496 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1F ZINC000067297322 571071777 /nfs/dbraw/zinc/07/17/77/571071777.db2.gz FQYUFFJCOSFKHM-RFBIWTDZSA-N 0 0 416.452 5.682 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)c(C)c1 ZINC000067297324 571071805 /nfs/dbraw/zinc/07/18/05/571071805.db2.gz QJICSKINPLWJSY-COOPMVRXSA-N 0 0 420.871 6.327 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2C)c(C)c1 ZINC000067297328 571071831 /nfs/dbraw/zinc/07/18/31/571071831.db2.gz BPDFIYPAWDWISY-FVDSYPCUSA-N 0 0 400.453 5.982 50 0 HKAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 ZINC000067297394 571071786 /nfs/dbraw/zinc/07/17/86/571071786.db2.gz ZASCIDRFYYNRIH-PNHLSOANSA-N 0 0 412.445 5.094 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067297430 571071818 /nfs/dbraw/zinc/07/18/18/571071818.db2.gz JRUOCLKUMORJLJ-SLMZUGIISA-N 0 0 408.379 5.936 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067297439 571071842 /nfs/dbraw/zinc/07/18/42/571071842.db2.gz XUKPGQCZAOWSGR-SLMZUGIISA-N 0 0 424.378 5.816 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067297443 571071856 /nfs/dbraw/zinc/07/18/56/571071856.db2.gz XPFWFSSHRFFZHK-SLMZUGIISA-N 0 0 424.378 5.816 50 0 HKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1Cl ZINC000067297495 571071719 /nfs/dbraw/zinc/07/17/19/571071719.db2.gz YBJHXUMFGFJLKL-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000067297500 571071764 /nfs/dbraw/zinc/07/17/64/571071764.db2.gz ABISJIXYDBPFIF-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(C)C)c2)cc1 ZINC000067297550 571071750 /nfs/dbraw/zinc/07/17/50/571071750.db2.gz WGIMKKLOGXVVMM-SGEDCAFJSA-N 0 0 412.489 6.050 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(C)C)cc2)cc1 ZINC000067297557 571071736 /nfs/dbraw/zinc/07/17/36/571071736.db2.gz FSRJQKDQDFBVQV-SGEDCAFJSA-N 0 0 412.489 6.050 50 0 HKAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(OC)cc1 ZINC000067297590 571071846 /nfs/dbraw/zinc/07/18/46/571071846.db2.gz VAEVWLMYHGCPHS-RFBIWTDZSA-N 0 0 414.461 5.325 50 0 HKAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000067297592 571071741 /nfs/dbraw/zinc/07/17/41/571071741.db2.gz PXZIDNUEKFQIGJ-RFBIWTDZSA-N 0 0 414.461 5.325 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(SC)c2)cc1 ZINC000067297596 571071850 /nfs/dbraw/zinc/07/18/50/571071850.db2.gz MEPOZGLACBPBCG-LCUIJRPUSA-N 0 0 416.502 5.648 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)cc1 ZINC000067297647 571071815 /nfs/dbraw/zinc/07/18/15/571071815.db2.gz ZZKMNVDHCDXLNA-VYIQYICTSA-N 0 0 406.388 5.204 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)cc1 ZINC000067297648 571071724 /nfs/dbraw/zinc/07/17/24/571071724.db2.gz VGKWHJLRJDQFCU-VYIQYICTSA-N 0 0 406.388 5.204 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)cc1 ZINC000067297651 571071793 /nfs/dbraw/zinc/07/17/93/571071793.db2.gz FMINIPVBVZCCDL-VYIQYICTSA-N 0 0 406.388 5.204 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)cc1 ZINC000067297657 571071796 /nfs/dbraw/zinc/07/17/96/571071796.db2.gz ASJCIERWFGULTI-VYIQYICTSA-N 0 0 406.388 5.204 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)cc1 ZINC000067297660 571071781 /nfs/dbraw/zinc/07/17/81/571071781.db2.gz KQBVBMOXWIADCZ-RWEWTDSWSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)cc1 ZINC000067297665 571071706 /nfs/dbraw/zinc/07/17/06/571071706.db2.gz JETSEIPHAQPUFO-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)cc1 ZINC000067297671 571071823 /nfs/dbraw/zinc/07/18/23/571071823.db2.gz YYRYYZMNJQXCEX-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)cc1 ZINC000067297676 571071790 /nfs/dbraw/zinc/07/17/90/571071790.db2.gz GBZDNVKOABIVOI-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)cc1 ZINC000067297679 571071816 /nfs/dbraw/zinc/07/18/16/571071816.db2.gz PNGYTKGTVMDWFR-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2F)cc1 ZINC000067297708 571071848 /nfs/dbraw/zinc/07/18/48/571071848.db2.gz CMDMAOVFRPWQOK-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2C)cc1 ZINC000067297716 571071837 /nfs/dbraw/zinc/07/18/37/571071837.db2.gz FAVVADZHRQUERK-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)cc1 ZINC000067297718 571071800 /nfs/dbraw/zinc/07/18/00/571071800.db2.gz DIBCUIDABCRBAY-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)cc1 ZINC000067297724 571071773 /nfs/dbraw/zinc/07/17/73/571071773.db2.gz LMWXIENXRNPUAH-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)cc1 ZINC000067297727 571071839 /nfs/dbraw/zinc/07/18/39/571071839.db2.gz OTTVCRMZTHUFOL-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)cc1 ZINC000067297731 571072270 /nfs/dbraw/zinc/07/22/70/571072270.db2.gz GJRKURHAMWKDEX-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(C)c2)cc1 ZINC000067297738 571071971 /nfs/dbraw/zinc/07/19/71/571071971.db2.gz LKROGYOXYRKKEX-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)cc1 ZINC000067297741 571072130 /nfs/dbraw/zinc/07/21/30/571072130.db2.gz APRIWOKHHYNBOQ-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1 ZINC000067297745 571072167 /nfs/dbraw/zinc/07/21/67/571072167.db2.gz KOBDTSYBQXSJTF-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(SC)cc2)cc1 ZINC000067297755 571072073 /nfs/dbraw/zinc/07/20/73/571072073.db2.gz FOMZXZSLVZQIBY-LCUIJRPUSA-N 0 0 416.502 5.648 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2F)cc1 ZINC000067297762 571072123 /nfs/dbraw/zinc/07/21/23/571072123.db2.gz CEZOZMHAZFWPEA-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)cc1 ZINC000067297769 571072093 /nfs/dbraw/zinc/07/20/93/571072093.db2.gz FZRUDDSBFNRAPF-PNHLSOANSA-N 0 0 418.880 5.888 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(F)c2)cc1 ZINC000067297771 571072222 /nfs/dbraw/zinc/07/22/22/571072222.db2.gz PCIVONKFIUCYRT-PNHLSOANSA-N 0 0 418.424 5.074 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)cc1 ZINC000067297784 571072127 /nfs/dbraw/zinc/07/21/27/571072127.db2.gz QRBNYUTVCUBUMQ-VYIQYICTSA-N 0 0 422.843 5.719 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2C)cc1 ZINC000067297793 571071967 /nfs/dbraw/zinc/07/19/67/571071967.db2.gz LUOWSCGGGMGNBF-PNHLSOANSA-N 0 0 402.425 5.374 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(C)C)cc2)n1 ZINC000067297831 571072225 /nfs/dbraw/zinc/07/22/25/571072225.db2.gz KGDQEELTWGRHFN-RFBIWTDZSA-N 0 0 413.477 5.450 50 0 HKAARN CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297871 571072140 /nfs/dbraw/zinc/07/21/40/571072140.db2.gz ZAZCEDBPVQYQHW-BZZOAKBMSA-N 0 0 417.490 5.048 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2Cl)n1 ZINC000067297939 571072110 /nfs/dbraw/zinc/07/21/10/571072110.db2.gz HTFBMOHCOMMVPZ-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2Cl)n1 ZINC000067297944 571071998 /nfs/dbraw/zinc/07/19/98/571071998.db2.gz CIXJILRJGVFJMI-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(Cl)c2)n1 ZINC000067297948 571072150 /nfs/dbraw/zinc/07/21/50/571072150.db2.gz AKKHLJXRQCBPAQ-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2F)n1 ZINC000067297954 571072009 /nfs/dbraw/zinc/07/20/09/571072009.db2.gz WVDNPZDBLCRXFQ-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2F)n1 ZINC000067297958 571072104 /nfs/dbraw/zinc/07/21/04/571072104.db2.gz QJSHWYOZQVUFCT-ROMGYVFFSA-N 0 0 423.831 5.119 50 0 HKAARN CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298014 571072182 /nfs/dbraw/zinc/07/21/82/571072182.db2.gz FCAJYKJJCVXECH-FLFQWRMESA-N 0 0 405.479 5.203 50 0 HKAARN CC(C)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298018 571072097 /nfs/dbraw/zinc/07/20/97/571072097.db2.gz CNAMDMVWFJGEQJ-FLFQWRMESA-N 0 0 405.479 5.203 50 0 HKAARN Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298202 571072250 /nfs/dbraw/zinc/07/22/50/571072250.db2.gz IINBTQJNDDZXBV-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN Cc1cc(Cl)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298204 571072152 /nfs/dbraw/zinc/07/21/52/571072152.db2.gz CKWASFORAJQMCB-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN Cc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298208 571072170 /nfs/dbraw/zinc/07/21/70/571072170.db2.gz OTRVMLIDBXPEHA-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(Cl)c1 ZINC000067298216 571072019 /nfs/dbraw/zinc/07/20/19/571072019.db2.gz RMDCEJOEJBJUKO-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1Cl ZINC000067298218 571072133 /nfs/dbraw/zinc/07/21/33/571072133.db2.gz OOANMIACVWIQOG-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)ccc1Cl ZINC000067298237 571072530 /nfs/dbraw/zinc/07/25/30/571072530.db2.gz TZOYZPZDXDWTTQ-NMWGTECJSA-N 0 0 411.870 5.041 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C(C)C)c3)oc21 ZINC000067298920 571073001 /nfs/dbraw/zinc/07/30/01/571073001.db2.gz NPOXMMXMMOPPFO-RFBIWTDZSA-N 0 0 416.477 5.320 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(C)C)cc3)oc21 ZINC000067298922 571073004 /nfs/dbraw/zinc/07/30/04/571073004.db2.gz SVJOFHMNXSYORJ-RFBIWTDZSA-N 0 0 416.477 5.320 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067299107 571072930 /nfs/dbraw/zinc/07/29/30/571072930.db2.gz WDXWCJWXFPBFKE-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067299110 571072936 /nfs/dbraw/zinc/07/29/36/571072936.db2.gz KSHVCMGYQOQOSE-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067299112 571072932 /nfs/dbraw/zinc/07/29/32/571072932.db2.gz BQFXPNDTOPFORO-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067299114 571072926 /nfs/dbraw/zinc/07/29/26/571072926.db2.gz SKOIBKSXTGKOQZ-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067299117 571072974 /nfs/dbraw/zinc/07/29/74/571072974.db2.gz UHJTZLOMPHJQJM-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067299129 571072905 /nfs/dbraw/zinc/07/29/05/571072905.db2.gz SFOXTVJRXWTADF-RWEWTDSWSA-N 0 0 422.868 5.159 50 0 HKAARN CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299179 571072995 /nfs/dbraw/zinc/07/29/95/571072995.db2.gz JTGFGZDYXGTPCT-LCUIJRPUSA-N 0 0 402.450 5.017 50 0 HKAARN CC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000067299828 571073360 /nfs/dbraw/zinc/07/33/60/571073360.db2.gz SDCZNJNPKXOXBD-UHFFFAOYSA-N 0 0 422.786 6.349 50 0 HKAARN FC(F)(F)c1cccc(-c2ccc(C3=Nn4c(nnc4-c4ccco4)SC3)o2)c1 ZINC000067299884 571073333 /nfs/dbraw/zinc/07/33/33/571073333.db2.gz VYUJGAJZRNAXMG-UHFFFAOYSA-N 0 0 416.384 5.175 50 0 HKAARN Cc1cc(C)c2nc(-c3c(O)cc(C(C)(C)C)cc(C(C)(C)C)c3=O)cc(Cl)c2c1 ZINC000067317179 571076173 /nfs/dbraw/zinc/07/61/73/571076173.db2.gz KWQQWLSRJMJZPL-UHFFFAOYSA-N 0 0 423.984 6.833 50 0 HKAARN CC[C@H](NC(=O)CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000067317252 571076254 /nfs/dbraw/zinc/07/62/54/571076254.db2.gz RJVYYMOOEXEGKL-NAVXVDNBSA-N 0 0 400.613 5.500 50 0 HKAARN CC[C@@H](NC(=O)CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000067317254 571076167 /nfs/dbraw/zinc/07/61/67/571076167.db2.gz RJVYYMOOEXEGKL-FRXJQHJJSA-N 0 0 400.613 5.500 50 0 HKAARN O=C(Nc1cccc(Br)c1)N(C1=NCCS1)c1ccc(Cl)cc1 ZINC000067321231 571077367 /nfs/dbraw/zinc/07/73/67/571077367.db2.gz NJDZJLRBSKWZGU-UHFFFAOYSA-N 0 0 410.724 5.244 50 0 HKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000067321281 571077286 /nfs/dbraw/zinc/07/72/86/571077286.db2.gz SLJDXFOUPQNNNG-GFCCVEGCSA-N 0 0 403.301 5.171 50 0 HKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000067321284 571077227 /nfs/dbraw/zinc/07/72/27/571077227.db2.gz SLJDXFOUPQNNNG-LBPRGKRZSA-N 0 0 403.301 5.171 50 0 HKAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 ZINC000067321515 571077365 /nfs/dbraw/zinc/07/73/65/571077365.db2.gz KNFIVZHOWWRIOS-BKMJKUGQSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 ZINC000067321517 571077273 /nfs/dbraw/zinc/07/72/73/571077273.db2.gz KNFIVZHOWWRIOS-NVQXNPDNSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc(C)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000067321520 571077249 /nfs/dbraw/zinc/07/72/49/571077249.db2.gz KRYSMUHJOXJMMU-BKMJKUGQSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000067321524 571077355 /nfs/dbraw/zinc/07/73/55/571077355.db2.gz KRYSMUHJOXJMMU-NVQXNPDNSA-N 0 0 412.489 5.317 50 0 HKAARN CCCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321559 571077320 /nfs/dbraw/zinc/07/73/20/571077320.db2.gz RAADUKIDQWFMTD-ZRTADFRUSA-N 0 0 418.537 5.688 50 0 HKAARN CCCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321563 571077388 /nfs/dbraw/zinc/07/73/88/571077388.db2.gz RAADUKIDQWFMTD-LEVHZFOFSA-N 0 0 418.537 5.688 50 0 HKAARN CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321572 571077294 /nfs/dbraw/zinc/07/72/94/571077294.db2.gz VAKLUAPIYLOGJV-TUHXZXAOSA-N 0 0 404.510 5.298 50 0 HKAARN CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321576 571077297 /nfs/dbraw/zinc/07/72/97/571077297.db2.gz VAKLUAPIYLOGJV-VHCIKCAMSA-N 0 0 404.510 5.298 50 0 HKAARN Brc1cccc(-c2csc(Nc3ccccc3Br)n2)c1 ZINC000067321933 568709056 /nfs/dbraw/zinc/70/90/56/568709056.db2.gz DVORJZFUTANBHO-UHFFFAOYSA-N 0 0 410.134 6.079 50 0 HKAARN Brc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 ZINC000067321936 568709069 /nfs/dbraw/zinc/70/90/69/568709069.db2.gz ZTXMRIYNGXWJGZ-UHFFFAOYSA-N 0 0 410.134 6.079 50 0 HKAARN Brc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000067321940 568709670 /nfs/dbraw/zinc/70/96/70/568709670.db2.gz GDILSRRCUIZTTC-UHFFFAOYSA-N 0 0 410.134 6.079 50 0 HKAARN CC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 ZINC000067322068 571077949 /nfs/dbraw/zinc/07/79/49/571077949.db2.gz WXZDIXYVZNPMMR-UHFFFAOYSA-N 0 0 402.317 5.583 50 0 HKAARN O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 ZINC000067323727 571079142 /nfs/dbraw/zinc/07/91/42/571079142.db2.gz NYOLZDOBGBJICM-UHFFFAOYSA-N 0 0 406.891 5.184 50 0 HKAARN O=c1c2sccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccco1 ZINC000067323730 571079207 /nfs/dbraw/zinc/07/92/07/571079207.db2.gz NKRPBPHEIMYNNC-UHFFFAOYSA-N 0 0 422.453 5.410 50 0 HKAARN CC[C@@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000067335119 571079523 /nfs/dbraw/zinc/07/95/23/571079523.db2.gz PCHCFLMUVSUSDA-GFCCVEGCSA-N 0 0 421.975 5.122 50 0 HKAARN CC[C@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000067335121 571079537 /nfs/dbraw/zinc/07/95/37/571079537.db2.gz PCHCFLMUVSUSDA-LBPRGKRZSA-N 0 0 421.975 5.122 50 0 HKAARN O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 ZINC000067335405 571079681 /nfs/dbraw/zinc/07/96/81/571079681.db2.gz ZKWGJICQXOQLFW-UHFFFAOYSA-N 0 0 415.848 5.666 50 0 HKAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1 ZINC000067335407 571079809 /nfs/dbraw/zinc/07/98/09/571079809.db2.gz TUYNCXNLDTZQCP-UHFFFAOYSA-N 0 0 417.383 5.291 50 0 HKAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1 ZINC000067335413 571079692 /nfs/dbraw/zinc/07/96/92/571079692.db2.gz KMHZVMJTCPJKKY-UHFFFAOYSA-N 0 0 417.383 5.291 50 0 HKAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1 ZINC000067335421 571079751 /nfs/dbraw/zinc/07/97/51/571079751.db2.gz HEQJGGYLDWNFDT-UHFFFAOYSA-N 0 0 417.383 5.291 50 0 HKAARN Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 ZINC000067339199 571080462 /nfs/dbraw/zinc/08/04/62/571080462.db2.gz RWGSMGAUVCSIJD-VQHVLOKHSA-N 0 0 408.910 6.094 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 ZINC000067339211 571080466 /nfs/dbraw/zinc/08/04/66/571080466.db2.gz WKTYPDURUBJVPQ-CSKARUKUSA-N 0 0 422.937 6.348 50 0 HKAARN Cc1cc(C)cc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)c1 ZINC000067339293 571080501 /nfs/dbraw/zinc/08/05/01/571080501.db2.gz UUICXCXFYKTQDM-GQCTYLIASA-N 0 0 422.937 6.402 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccccc3o2)sc2c1CC[C@@H](CC)C2 ZINC000067339311 571080434 /nfs/dbraw/zinc/08/04/34/571080434.db2.gz DEKSFJCTKRADHD-HBIYDYFMSA-N 0 0 423.534 5.838 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccccc3o2)sc2c1CC[C@H](CC)C2 ZINC000067339313 571080489 /nfs/dbraw/zinc/08/04/89/571080489.db2.gz DEKSFJCTKRADHD-PABFRNLHSA-N 0 0 423.534 5.838 50 0 HKAARN CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 ZINC000067339372 571080388 /nfs/dbraw/zinc/08/03/88/571080388.db2.gz VYIGZILFODUICA-VQHVLOKHSA-N 0 0 414.255 5.024 50 0 HKAARN O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1cccc(C(F)(F)F)c1 ZINC000067339411 571080433 /nfs/dbraw/zinc/08/04/33/571080433.db2.gz GAJWEZPRPNOBPP-FNORWQNLSA-N 0 0 410.189 5.866 50 0 HKAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 ZINC000067339481 571080583 /nfs/dbraw/zinc/08/05/83/571080583.db2.gz MBKOBMRDAXTMTJ-CMDGGOBGSA-N 0 0 413.857 5.314 50 0 HKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)oc21 ZINC000067339482 571080567 /nfs/dbraw/zinc/08/05/67/571080567.db2.gz FCEHRGCNZFXJLC-CMDGGOBGSA-N 0 0 413.857 5.312 50 0 HKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cccc(C(=O)OC(C)C)c3)oc21 ZINC000067339509 571080551 /nfs/dbraw/zinc/08/05/51/571080551.db2.gz AMOUEJDGEOBVIM-BQYQJAHWSA-N 0 0 413.857 5.312 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)c(C)c4)s3)cc2c1 ZINC000067339531 571080448 /nfs/dbraw/zinc/08/04/48/571080448.db2.gz HVDLTPWBPLILTD-VQHVLOKHSA-N 0 0 418.518 5.757 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cc(C)cc(C)c4)s3)cc2c1 ZINC000067339536 571080407 /nfs/dbraw/zinc/08/04/07/571080407.db2.gz SNRDGFQMQDXFSH-FNORWQNLSA-N 0 0 418.518 5.757 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc2c1 ZINC000067339553 571080587 /nfs/dbraw/zinc/08/05/87/571080587.db2.gz HLSJNYRZADXGKX-VQHVLOKHSA-N 0 0 424.909 5.794 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cccc(C)c4)s3)cc2c1 ZINC000067339564 571080487 /nfs/dbraw/zinc/08/04/87/571080487.db2.gz LLLHTOBFVQNCAG-VQHVLOKHSA-N 0 0 404.491 5.449 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2c1 ZINC000067339566 571080555 /nfs/dbraw/zinc/08/05/55/571080555.db2.gz CHRNSDMEAPLSNP-VQHVLOKHSA-N 0 0 408.454 5.280 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2c1 ZINC000067339569 571080410 /nfs/dbraw/zinc/08/04/10/571080410.db2.gz WKXYRZJPPFMHEH-SOFGYWHQSA-N 0 0 424.909 5.794 50 0 HKAARN CCc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(OC)ccc4o3)s2)cc1 ZINC000067339574 571080514 /nfs/dbraw/zinc/08/05/14/571080514.db2.gz IDOMNMBCWQZTLC-PKNBQFBNSA-N 0 0 418.518 5.703 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)cc2c1 ZINC000067339581 571080420 /nfs/dbraw/zinc/08/04/20/571080420.db2.gz IAVWSZDOAXWLPM-CSKARUKUSA-N 0 0 404.491 5.449 50 0 HKAARN COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2c1 ZINC000067339588 571080402 /nfs/dbraw/zinc/08/04/02/571080402.db2.gz VNMCSWYAIGHGIO-VQHVLOKHSA-N 0 0 408.454 5.280 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cc3cc(C)ccc3o1)C[C@H](C)CC2 ZINC000067339707 571080840 /nfs/dbraw/zinc/08/08/40/571080840.db2.gz UABCXMFRYJDFRI-VIIAAUOXSA-N 0 0 409.507 5.366 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cc3cc(C)ccc3o1)C[C@@H](C)CC2 ZINC000067339708 571080777 /nfs/dbraw/zinc/08/07/77/571080777.db2.gz UABCXMFRYJDFRI-MRZGDXHCSA-N 0 0 409.507 5.366 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@@H](C)C2 ZINC000067339744 571080838 /nfs/dbraw/zinc/08/08/38/571080838.db2.gz BRCBTCDDYYKDCI-TUPIDYKKSA-N 0 0 423.534 5.756 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@H](C)C2 ZINC000067339746 571080811 /nfs/dbraw/zinc/08/08/11/571080811.db2.gz BRCBTCDDYYKDCI-HQPKTYMTSA-N 0 0 423.534 5.756 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cc3ccc(C)cc3o1)C[C@H](C)CC2 ZINC000067339794 571080804 /nfs/dbraw/zinc/08/08/04/571080804.db2.gz WMGJHMPWGYQOPZ-RCQQVGEISA-N 0 0 409.507 5.366 50 0 HKAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cc3ccc(C)cc3o1)C[C@@H](C)CC2 ZINC000067339796 571080755 /nfs/dbraw/zinc/08/07/55/571080755.db2.gz WMGJHMPWGYQOPZ-KGXGESDWSA-N 0 0 409.507 5.366 50 0 HKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccccc4)s3)oc21 ZINC000067339944 571080856 /nfs/dbraw/zinc/08/08/56/571080856.db2.gz KVENBMPVQWGMFL-BQYQJAHWSA-N 0 0 424.909 5.794 50 0 HKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)NC(c3ccccc3)c3ccccc3)oc21 ZINC000067339957 571080786 /nfs/dbraw/zinc/08/07/86/571080786.db2.gz WDVZICKFOQPXFV-OUKQBFOZSA-N 0 0 417.892 6.014 50 0 HKAARN Cc1cccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)c1 ZINC000067340024 571080834 /nfs/dbraw/zinc/08/08/34/571080834.db2.gz BXJZNJPACBOCML-SOFGYWHQSA-N 0 0 408.910 6.094 50 0 HKAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)Nc1ncc(Cc2ccccc2F)s1 ZINC000067340038 571080803 /nfs/dbraw/zinc/08/08/03/571080803.db2.gz RLFUSOPMORCGJW-SOFGYWHQSA-N 0 0 412.873 5.925 50 0 HKAARN COc1ccc(C(C)=O)cc1NC(=O)C=Cc1cc2cc(Br)ccc2o1 ZINC000067340057 571080888 /nfs/dbraw/zinc/08/08/88/571080888.db2.gz MHCKRNLTWHFFRX-VMPITWQZSA-N 0 0 414.255 5.058 50 0 HKAARN Cc1c2c(c(-c3ccccc3)n1Cc1ccccc1)CC(c1ccccc1)=NN=C2C ZINC000067340106 571080767 /nfs/dbraw/zinc/08/07/67/571080767.db2.gz FCRNSCZQHMIZBF-UHFFFAOYSA-N 0 0 403.529 6.281 50 0 HKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1F ZINC000067341369 571081284 /nfs/dbraw/zinc/08/12/84/571081284.db2.gz VYEOLZGBZQVJMA-UHFFFAOYSA-N 0 0 411.546 5.729 50 0 HKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc(F)cc1F ZINC000067341370 571081243 /nfs/dbraw/zinc/08/12/43/571081243.db2.gz XXTHOYFINSFROI-UHFFFAOYSA-N 0 0 415.509 5.559 50 0 HKAARN Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccccc1F ZINC000067341630 558986388 /nfs/dbraw/zinc/98/63/88/558986388.db2.gz RFFGRHHRPVUHGJ-UHFFFAOYSA-N 0 0 415.291 5.268 50 0 HKAARN Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccc(F)cc1 ZINC000067341682 558986411 /nfs/dbraw/zinc/98/64/11/558986411.db2.gz RLSYFQFFKYBSHE-UHFFFAOYSA-N 0 0 415.291 5.268 50 0 HKAARN Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(OCc2ccccc2)cc1 ZINC000067341705 558986389 /nfs/dbraw/zinc/98/63/89/558986389.db2.gz FAUZDQNHVQRJEO-UHFFFAOYSA-N 0 0 424.529 5.945 50 0 HKAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1Cl ZINC000067341720 571081101 /nfs/dbraw/zinc/08/11/01/571081101.db2.gz BMKPCIJGVXWXRP-UHFFFAOYSA-N 0 0 415.946 5.163 50 0 HKAARN COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=N)oc21 ZINC000067350779 571081563 /nfs/dbraw/zinc/08/15/63/571081563.db2.gz TVNTXOMBHCGTIT-UHFFFAOYSA-N 0 0 403.290 6.018 50 0 HKAARN Cc1c([C@H](C)NCc2cnc(-c3ccccc3C)nc2)cnn1-c1ccc(F)cc1F ZINC000067540581 558987135 /nfs/dbraw/zinc/98/71/35/558987135.db2.gz DLJCINWECMSHGB-INIZCTEOSA-N 0 0 419.479 5.075 50 0 HKAARN Cc1c([C@@H](C)NCc2cnc(-c3ccccc3C)nc2)cnn1-c1ccc(F)cc1F ZINC000067540586 558987127 /nfs/dbraw/zinc/98/71/27/558987127.db2.gz DLJCINWECMSHGB-MRXNPFEDSA-N 0 0 419.479 5.075 50 0 HKAARN Cc1[nH]c2ccccc2c(=O)c1CNc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000067601738 558987530 /nfs/dbraw/zinc/98/75/30/558987530.db2.gz DNVKUGUMMHNTNC-UHFFFAOYSA-N 0 0 405.567 5.373 50 0 HKAARN Cc1ccccc1C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067643465 558990796 /nfs/dbraw/zinc/99/07/96/558990796.db2.gz IHJFVZLNVWDMGE-UHFFFAOYSA-N 0 0 416.502 5.012 50 0 HKAARN CCOc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)ccc1OC ZINC000067677330 558991385 /nfs/dbraw/zinc/99/13/85/558991385.db2.gz YXYCAEUQUSWAHQ-UHFFFAOYSA-N 0 0 402.498 5.013 50 0 HKAARN Cc1ncsc1CN(Cc1nc(-c2cccc(F)c2)oc1C)Cc1ccccc1 ZINC000067756835 558992509 /nfs/dbraw/zinc/99/25/09/558992509.db2.gz YXVZVQKJDDRLCH-UHFFFAOYSA-N 0 0 407.514 5.756 50 0 HKAARN Cc1cccnc1C(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067756988 558992520 /nfs/dbraw/zinc/99/25/20/558992520.db2.gz NERQEWCNMAJRIO-UHFFFAOYSA-N 0 0 416.502 5.012 50 0 HKAARN COc1ccc2ccc(OCc3nc(C(=O)N4CC[C@@H]4c4ccccc4)co3)cc2c1 ZINC000067872656 558994262 /nfs/dbraw/zinc/99/42/62/558994262.db2.gz PIPBYGLRAWVHPI-HSZRJFAPSA-N 0 0 414.461 5.003 50 0 HKAARN COc1ccc2ccc(OCc3nc(C(=O)N4CC[C@H]4c4ccccc4)co3)cc2c1 ZINC000067872657 558994211 /nfs/dbraw/zinc/99/42/11/558994211.db2.gz PIPBYGLRAWVHPI-QHCPKHFHSA-N 0 0 414.461 5.003 50 0 HKAARN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(c2ccc3ccccc3n2)CC1 ZINC000067894951 558994610 /nfs/dbraw/zinc/99/46/10/558994610.db2.gz IJRYYHKOHAPRGX-UHFFFAOYSA-N 0 0 400.444 5.075 50 0 HKAARN COCCN1CCOc2c(O)cc(-c3ccc4sc5ccccc5c4c3)cc2C1 ZINC000067896504 558994547 /nfs/dbraw/zinc/99/45/47/558994547.db2.gz MVEPTRKSJYNBCB-UHFFFAOYSA-N 0 0 405.519 5.268 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC([C@H](O)c2cccs2)CC1 ZINC000067946614 558994896 /nfs/dbraw/zinc/99/48/96/558994896.db2.gz IZARMWAJSIMISM-FQEVSTJZSA-N 0 0 402.947 5.311 50 0 HKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC([C@@H](O)c2cccs2)CC1 ZINC000067946616 558994878 /nfs/dbraw/zinc/99/48/78/558994878.db2.gz IZARMWAJSIMISM-HXUWFJFHSA-N 0 0 402.947 5.311 50 0 HKAARN CCc1ncc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)cn1 ZINC000067974592 558862466 /nfs/dbraw/zinc/86/24/66/558862466.db2.gz WRGSEJMQDZHKEJ-UHFFFAOYSA-N 0 0 417.534 5.021 50 0 HKAARN Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncn1C1CC1)C2 ZINC000067975333 558862566 /nfs/dbraw/zinc/86/25/66/558862566.db2.gz YOSVSPBGXCMYMC-UHFFFAOYSA-N 0 0 417.534 5.200 50 0 HKAARN CCc1nccc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)n1 ZINC000067982065 558862578 /nfs/dbraw/zinc/86/25/78/558862578.db2.gz KEHOTLQQDZZBGD-UHFFFAOYSA-N 0 0 417.534 5.021 50 0 HKAARN Cc1c(C(=O)Nc2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccccc1 ZINC000068706781 558864344 /nfs/dbraw/zinc/86/43/44/558864344.db2.gz ZIMOXWMHDBVGPG-UHFFFAOYSA-N 0 0 411.486 5.341 50 0 HKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccs1 ZINC000068732092 558864746 /nfs/dbraw/zinc/86/47/46/558864746.db2.gz FWWCDXJSMLGRRL-UHFFFAOYSA-N 0 0 401.460 5.016 50 0 HKAARN C[C@]1(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1(Cl)Cl ZINC000069004251 571160456 /nfs/dbraw/zinc/16/04/56/571160456.db2.gz CYLBERUSNKOPMB-MGPUTAFESA-N 0 0 421.755 5.653 50 0 HKAARN C[C@@]1(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1(Cl)Cl ZINC000069004252 571160554 /nfs/dbraw/zinc/16/05/54/571160554.db2.gz CYLBERUSNKOPMB-YWZLYKJASA-N 0 0 421.755 5.653 50 0 HKAARN C[C@]1(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1(Cl)Cl ZINC000069004254 571160496 /nfs/dbraw/zinc/16/04/96/571160496.db2.gz CYLBERUSNKOPMB-FOIQADDNSA-N 0 0 421.755 5.653 50 0 HKAARN C[C@@]1(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1(Cl)Cl ZINC000069004256 571160562 /nfs/dbraw/zinc/16/05/62/571160562.db2.gz CYLBERUSNKOPMB-QRWLVFNGSA-N 0 0 421.755 5.653 50 0 HKAARN COc1cccc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1OC(F)F ZINC000069231122 571214979 /nfs/dbraw/zinc/21/49/79/571214979.db2.gz CRBAJVFMZMHCOT-QMMMGPOBSA-N 0 0 408.203 5.234 50 0 HKAARN COc1cccc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1OC(F)F ZINC000069231123 571214972 /nfs/dbraw/zinc/21/49/72/571214972.db2.gz CRBAJVFMZMHCOT-MRVPVSSYSA-N 0 0 408.203 5.234 50 0 HKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cccnc2SC(F)F)n1 ZINC000069325174 571219962 /nfs/dbraw/zinc/21/99/62/571219962.db2.gz SXYCGOWANJETHP-UHFFFAOYSA-N 0 0 407.467 5.089 50 0 HKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C)Cc3ccccc3Cl)c2)cs1 ZINC000069350977 571221778 /nfs/dbraw/zinc/22/17/78/571221778.db2.gz JTHHFEMNCFBRKZ-ZHACJKMWSA-N 0 0 412.942 5.356 50 0 HKAARN C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000069351032 571221765 /nfs/dbraw/zinc/22/17/65/571221765.db2.gz PHKJGBDEHLYKEW-NSHDSACASA-N 0 0 407.301 6.034 50 0 HKAARN C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1nc(C(C)(C)C)no1 ZINC000069351033 571221800 /nfs/dbraw/zinc/22/18/00/571221800.db2.gz PHKJGBDEHLYKEW-LLVKDONJSA-N 0 0 407.301 6.034 50 0 HKAARN CC(C)(C)OCc1cccc(CNC(=O)NCc2cccc(COC(C)(C)C)c2)c1 ZINC000069351468 571221833 /nfs/dbraw/zinc/22/18/33/571221833.db2.gz UOQPAIBEJBHGCE-UHFFFAOYSA-N 0 0 412.574 5.316 50 0 HKAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)cc2c1 ZINC000069351889 571222017 /nfs/dbraw/zinc/22/20/17/571222017.db2.gz MOEZKQLDFNNNGW-NRFANRHFSA-N 0 0 411.864 5.124 50 0 HKAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)cc2c1 ZINC000069351890 571222073 /nfs/dbraw/zinc/22/20/73/571222073.db2.gz MOEZKQLDFNNNGW-OAQYLSRUSA-N 0 0 411.864 5.124 50 0 HKAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)cc1C ZINC000069370191 571223858 /nfs/dbraw/zinc/22/38/58/571223858.db2.gz MXDLORQDOGECFC-UHFFFAOYSA-N 0 0 420.563 5.836 50 0 HKAARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000069374847 571224851 /nfs/dbraw/zinc/22/48/51/571224851.db2.gz DQRLUTAAHXEULP-QHCPKHFHSA-N 0 0 412.518 5.298 50 0 HKAARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000069374852 571224788 /nfs/dbraw/zinc/22/47/88/571224788.db2.gz DQRLUTAAHXEULP-HSZRJFAPSA-N 0 0 412.518 5.298 50 0 HKAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000069375011 571224781 /nfs/dbraw/zinc/22/47/81/571224781.db2.gz CWATYFOZPIZQBX-FQEVSTJZSA-N 0 0 418.547 5.360 50 0 HKAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000069375013 571224760 /nfs/dbraw/zinc/22/47/60/571224760.db2.gz CWATYFOZPIZQBX-HXUWFJFHSA-N 0 0 418.547 5.360 50 0 HKAARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000069382956 571225752 /nfs/dbraw/zinc/22/57/52/571225752.db2.gz WAQOBZMIDIRXOK-FQEVSTJZSA-N 0 0 411.864 5.124 50 0 HKAARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000069382962 571225718 /nfs/dbraw/zinc/22/57/18/571225718.db2.gz WAQOBZMIDIRXOK-HXUWFJFHSA-N 0 0 411.864 5.124 50 0 HKAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1nccs1 ZINC000069387023 571225971 /nfs/dbraw/zinc/22/59/71/571225971.db2.gz WXKPCEIGDPAGKR-NRFANRHFSA-N 0 0 416.999 5.368 50 0 HKAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1nccs1 ZINC000069387028 571225881 /nfs/dbraw/zinc/22/58/81/571225881.db2.gz WXKPCEIGDPAGKR-OAQYLSRUSA-N 0 0 416.999 5.368 50 0 HKAARN CCc1ccc(-c2cc(NC(=O)Nc3cc(-c4ccc(CC)cc4)no3)on2)cc1 ZINC000069417793 571227723 /nfs/dbraw/zinc/22/77/23/571227723.db2.gz IGGJNTJERICWDH-UHFFFAOYSA-N 0 0 402.454 5.765 50 0 HKAARN COC(=O)c1cn(-c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)cn1 ZINC000069419057 571227785 /nfs/dbraw/zinc/22/77/85/571227785.db2.gz WOQQOLZEGLUJKV-UHFFFAOYSA-N 0 0 418.503 5.059 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1C ZINC000069454282 571228211 /nfs/dbraw/zinc/22/82/11/571228211.db2.gz MKQIVCMIVGWDIR-UHFFFAOYSA-N 0 0 424.504 5.118 50 0 HKAARN O=C(c1ccc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)cc1)N1CCCC1 ZINC000069455561 571228185 /nfs/dbraw/zinc/22/81/85/571228185.db2.gz SYRVXMPLKDYUMV-UHFFFAOYSA-N 0 0 406.476 5.408 50 0 HKAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@H](C)O1 ZINC000069458925 571228174 /nfs/dbraw/zinc/22/81/74/571228174.db2.gz AMOXPNGDDDEVGE-YRNRMSPPSA-N 0 0 401.576 5.271 50 0 HKAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 ZINC000069458931 571228193 /nfs/dbraw/zinc/22/81/93/571228193.db2.gz AMOXPNGDDDEVGE-QINHECLXSA-N 0 0 401.576 5.271 50 0 HKAARN Nc1c(Cl)cc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1Cl ZINC000069460787 571228459 /nfs/dbraw/zinc/22/84/59/571228459.db2.gz ZLELZSZKNVEILY-UHFFFAOYSA-N 0 0 415.202 5.032 50 0 HKAARN O=C(Nc1ccc(NC2CCCCC2)cc1)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000069492962 571228770 /nfs/dbraw/zinc/22/87/70/571228770.db2.gz RVMLUVJQTGUNGH-UHFFFAOYSA-N 0 0 412.965 5.335 50 0 HKAARN Clc1ccc(-c2nc(-c3ccc(-n4nncc4-c4cccs4)cc3)cs2)cc1 ZINC000069534032 571228984 /nfs/dbraw/zinc/22/89/84/571228984.db2.gz BXQRVZIISJPMDQ-UHFFFAOYSA-N 0 0 420.950 6.440 50 0 HKAARN Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)cn2)cc1 ZINC000069538912 571228997 /nfs/dbraw/zinc/22/89/97/571228997.db2.gz UIEKUELQUQMVIB-UHFFFAOYSA-N 0 0 422.916 5.086 50 0 HKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1C(=O)c1cccs1 ZINC000069614724 571234244 /nfs/dbraw/zinc/23/42/44/571234244.db2.gz BIIGRNRVVZTDRZ-UHFFFAOYSA-N 0 0 403.425 5.270 50 0 HKAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000069653528 571236632 /nfs/dbraw/zinc/23/66/32/571236632.db2.gz TUPIFMUJZQPAIU-KRWDZBQOSA-N 0 0 404.457 5.611 50 0 HKAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000069653530 571236643 /nfs/dbraw/zinc/23/66/43/571236643.db2.gz TUPIFMUJZQPAIU-QGZVFWFLSA-N 0 0 404.457 5.611 50 0 HKAARN Clc1cccc(-c2noc([C@H]3CC34CCN(c3ncnc5ccccc53)CC4)n2)c1 ZINC000069668598 571237779 /nfs/dbraw/zinc/23/77/79/571237779.db2.gz SAVXJHNHVFDJEB-GOSISDBHSA-N 0 0 417.900 5.107 50 0 HKAARN Clc1cccc(-c2noc([C@@H]3CC34CCN(c3ncnc5ccccc53)CC4)n2)c1 ZINC000069668602 571237784 /nfs/dbraw/zinc/23/77/84/571237784.db2.gz SAVXJHNHVFDJEB-SFHVURJKSA-N 0 0 417.900 5.107 50 0 HKAARN Clc1cccc(-c2noc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 ZINC000069668761 571237715 /nfs/dbraw/zinc/23/77/15/571237715.db2.gz JWTFNNAGCODEKH-MRXNPFEDSA-N 0 0 406.873 5.305 50 0 HKAARN Clc1cccc(-c2noc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 ZINC000069668763 571237697 /nfs/dbraw/zinc/23/76/97/571237697.db2.gz JWTFNNAGCODEKH-INIZCTEOSA-N 0 0 406.873 5.305 50 0 HKAARN Clc1ccc([C@H]2C=C(c3ccc(Br)cc3)N=C3N=NNN32)cc1Cl ZINC000069701156 571239644 /nfs/dbraw/zinc/23/96/44/571239644.db2.gz FBGDZJAGSDVYQX-OAHLLOKOSA-N 0 0 423.101 5.395 50 0 HKAARN Clc1ccc([C@@H]2C=C(c3ccc(Br)cc3)N=C3N=NNN32)cc1Cl ZINC000069701159 571239630 /nfs/dbraw/zinc/23/96/30/571239630.db2.gz FBGDZJAGSDVYQX-HNNXBMFYSA-N 0 0 423.101 5.395 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000069713635 571240408 /nfs/dbraw/zinc/24/04/08/571240408.db2.gz ZLPNSMITPOQOPG-UHFFFAOYSA-N 0 0 405.517 5.099 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000069713652 571240366 /nfs/dbraw/zinc/24/03/66/571240366.db2.gz LDTHGWSZGFCNAC-UHFFFAOYSA-N 0 0 405.517 5.099 50 0 HKAARN CC(C)c1noc([C@@H](C)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)n1 ZINC000069738711 571241711 /nfs/dbraw/zinc/24/17/11/571241711.db2.gz VXQHZKXBDKSJSF-OAHLLOKOSA-N 0 0 408.477 5.098 50 0 HKAARN CC(C)c1noc([C@H](C)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)n1 ZINC000069738712 571241731 /nfs/dbraw/zinc/24/17/31/571241731.db2.gz VXQHZKXBDKSJSF-HNNXBMFYSA-N 0 0 408.477 5.098 50 0 HKAARN O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3o2)CC1 ZINC000069776656 571244408 /nfs/dbraw/zinc/24/44/08/571244408.db2.gz WZGROUNGNIRBGI-JOCHJYFZSA-N 0 0 403.526 5.129 50 0 HKAARN O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3o2)CC1 ZINC000069776658 571244286 /nfs/dbraw/zinc/24/42/86/571244286.db2.gz WZGROUNGNIRBGI-QFIPXVFZSA-N 0 0 403.526 5.129 50 0 HKAARN CCCCCCc1cc2cc(-c3nnc(-c4cccc(C)c4)o3)c(=O)oc2cc1O ZINC000069871444 571247364 /nfs/dbraw/zinc/24/73/64/571247364.db2.gz CSOZORHZNZDYJO-UHFFFAOYSA-N 0 0 404.466 5.647 50 0 HKAARN O=C(Nc1cccc2ccccc21)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000069902517 558596411 /nfs/dbraw/zinc/59/64/11/558596411.db2.gz VTXBBVUCQHWOCI-UHFFFAOYSA-N 0 0 415.802 5.950 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1NC(=O)c1ccco1 ZINC000069925909 558617408 /nfs/dbraw/zinc/61/74/08/558617408.db2.gz OWBASYKXXYTJGM-UHFFFAOYSA-N 0 0 417.509 5.837 50 0 HKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3o2)CC1 ZINC000069929159 571250145 /nfs/dbraw/zinc/25/01/45/571250145.db2.gz POEUFJLLDGSYGY-JOCHJYFZSA-N 0 0 418.541 5.521 50 0 HKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3o2)CC1 ZINC000069929161 571250132 /nfs/dbraw/zinc/25/01/32/571250132.db2.gz POEUFJLLDGSYGY-QFIPXVFZSA-N 0 0 418.541 5.521 50 0 HKAARN COc1ccc(C[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000069930451 558632055 /nfs/dbraw/zinc/63/20/55/558632055.db2.gz FNBINDXKKPGXQI-IBGZPJMESA-N 0 0 407.485 5.261 50 0 HKAARN COc1ccc(C[C@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000069930457 571250244 /nfs/dbraw/zinc/25/02/44/571250244.db2.gz FNBINDXKKPGXQI-LJQANCHMSA-N 0 0 407.485 5.261 50 0 HKAARN CC1(C)CC[C@H](NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc21 ZINC000069951773 571251162 /nfs/dbraw/zinc/25/11/62/571251162.db2.gz MFKLCLLJQRBBEG-QFIPXVFZSA-N 0 0 405.542 5.037 50 0 HKAARN CC1(C)CC[C@@H](NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc21 ZINC000069951774 571251154 /nfs/dbraw/zinc/25/11/54/571251154.db2.gz MFKLCLLJQRBBEG-JOCHJYFZSA-N 0 0 405.542 5.037 50 0 HKAARN CCCCCCc1cc2cc(-c3n[nH]c(-c4cccc(OC)c4)n3)c(=O)oc2cc1O ZINC000069967613 571251680 /nfs/dbraw/zinc/25/16/80/571251680.db2.gz CWODQDMYPGUEKT-UHFFFAOYSA-N 0 0 419.481 5.082 50 0 HKAARN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Sc2ccccn2)cc1 ZINC000069978736 571252394 /nfs/dbraw/zinc/25/23/94/571252394.db2.gz FVRWBDVNPNYJEK-UHFFFAOYSA-N 0 0 423.925 5.265 50 0 HKAARN Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1-c1ccccc1C ZINC000070004631 558890441 /nfs/dbraw/zinc/89/04/41/558890441.db2.gz KFUDSDLXDYCEPM-UHFFFAOYSA-N 0 0 409.704 5.206 50 0 HKAARN Cc1ccc(C(=O)C2CCN(C(=O)NCc3cccc(OC4CCCC4)c3)CC2)cc1 ZINC000070007638 571253744 /nfs/dbraw/zinc/25/37/44/571253744.db2.gz MSRNQHIRXVRKIG-UHFFFAOYSA-N 0 0 420.553 5.121 50 0 HKAARN O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000070008151 571253721 /nfs/dbraw/zinc/25/37/21/571253721.db2.gz VGILCTIAHIAJNU-UHFFFAOYSA-N 0 0 408.910 5.128 50 0 HKAARN COc1ccc2oc(C)c(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)c2c1 ZINC000070008153 571253657 /nfs/dbraw/zinc/25/36/57/571253657.db2.gz UMYUEVJTBVPUMZ-UHFFFAOYSA-N 0 0 421.497 5.410 50 0 HKAARN CC(=O)N(c1nc(CSc2nc(C)c(C)o2)cs1)c1c(C)cc(C)cc1Cl ZINC000070011239 519479683 /nfs/dbraw/zinc/47/96/83/519479683.db2.gz JYKPAKDKTZZVKP-UHFFFAOYSA-N 0 0 421.975 5.995 50 0 HKAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(F)c(F)c1F ZINC000070012873 571254222 /nfs/dbraw/zinc/25/42/22/571254222.db2.gz LDGXEHBJEMTAAH-UHFFFAOYSA-N 0 0 408.376 5.118 50 0 HKAARN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000070012898 571254233 /nfs/dbraw/zinc/25/42/33/571254233.db2.gz NUPSGQCSENQOKM-FQEVSTJZSA-N 0 0 417.534 5.118 50 0 HKAARN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000070012907 571254345 /nfs/dbraw/zinc/25/43/45/571254345.db2.gz NUPSGQCSENQOKM-HXUWFJFHSA-N 0 0 417.534 5.118 50 0 HKAARN CCc1nc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cs1 ZINC000070038009 571254794 /nfs/dbraw/zinc/25/47/94/571254794.db2.gz GPYNIKKFOBJMHH-SFHVURJKSA-N 0 0 403.429 5.495 50 0 HKAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000070039799 571254914 /nfs/dbraw/zinc/25/49/14/571254914.db2.gz PLQHKAOQFNGCLA-CVDCTZTESA-N 0 0 415.537 5.270 50 0 HKAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000070039800 571254876 /nfs/dbraw/zinc/25/48/76/571254876.db2.gz PLQHKAOQFNGCLA-WMZHIEFXSA-N 0 0 415.537 5.270 50 0 HKAARN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000070039801 571254958 /nfs/dbraw/zinc/25/49/58/571254958.db2.gz PLQHKAOQFNGCLA-XXBNENTESA-N 0 0 415.537 5.270 50 0 HKAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000070039802 571254926 /nfs/dbraw/zinc/25/49/26/571254926.db2.gz PLQHKAOQFNGCLA-AUSIDOKSSA-N 0 0 415.537 5.270 50 0 HKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1nc2ccccc2s1 ZINC000070635067 571270323 /nfs/dbraw/zinc/27/03/23/571270323.db2.gz BMYXLYTWVPYVTI-UHFFFAOYSA-N 0 0 418.956 5.346 50 0 HKAARN O=C(N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1 ZINC000070635463 571270396 /nfs/dbraw/zinc/27/03/96/571270396.db2.gz QISFMNVMEVMBQS-KRWDZBQOSA-N 0 0 409.473 5.179 50 0 HKAARN O=C(N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1 ZINC000070635465 571270414 /nfs/dbraw/zinc/27/04/14/571270414.db2.gz QISFMNVMEVMBQS-QGZVFWFLSA-N 0 0 409.473 5.179 50 0 HKAARN O=C(NCc1cccc2ccccc21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000070635496 571270442 /nfs/dbraw/zinc/27/04/42/571270442.db2.gz JCINWLFRSNOTEP-NRFANRHFSA-N 0 0 414.427 5.142 50 0 HKAARN O=C(NCc1cccc2ccccc21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000070635498 571270392 /nfs/dbraw/zinc/27/03/92/571270392.db2.gz JCINWLFRSNOTEP-OAQYLSRUSA-N 0 0 414.427 5.142 50 0 HKAARN CC(C)(C)c1ccc(NC(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 ZINC000070637135 571270532 /nfs/dbraw/zinc/27/05/32/571270532.db2.gz RGZHHIUFWYJIDU-UHFFFAOYSA-N 0 0 410.905 5.319 50 0 HKAARN O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000070637140 571270555 /nfs/dbraw/zinc/27/05/55/571270555.db2.gz GGFTZKXXXJSMJA-UHFFFAOYSA-N 0 0 422.794 5.040 50 0 HKAARN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000070640045 571270678 /nfs/dbraw/zinc/27/06/78/571270678.db2.gz KTWLDWNTNXPOPC-GOSISDBHSA-N 0 0 411.851 5.020 50 0 HKAARN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000070640047 571270815 /nfs/dbraw/zinc/27/08/15/571270815.db2.gz KTWLDWNTNXPOPC-SFHVURJKSA-N 0 0 411.851 5.020 50 0 HKAARN Fc1ccc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cc1 ZINC000070641636 571270884 /nfs/dbraw/zinc/27/08/84/571270884.db2.gz GHVDHTVTBXNNRP-UHFFFAOYSA-N 0 0 420.513 5.379 50 0 HKAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc2c1ccn2C(C)C ZINC000070666429 571272134 /nfs/dbraw/zinc/27/21/34/571272134.db2.gz GHOMYNONIIKKRV-UHFFFAOYSA-N 0 0 418.493 5.217 50 0 biogenic HKAARN O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccc2cc[nH]c2c1 ZINC000070666615 571272270 /nfs/dbraw/zinc/27/22/70/571272270.db2.gz NXMUBFGSUITIDX-UHFFFAOYSA-N 0 0 409.489 5.730 50 0 biogenic HKAARN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070688039 569413460 /nfs/dbraw/zinc/41/34/60/569413460.db2.gz WQLVFSAGQJTQCK-VPCISJBQSA-N 0 0 414.630 5.714 50 0 biogenic HKAARN COc1cccc2sc(N(C)CC(=O)Nc3ccccc3-c3ccccc3)nc21 ZINC000070973353 571283951 /nfs/dbraw/zinc/28/39/51/571283951.db2.gz RTWAZWDCOBUCLQ-UHFFFAOYSA-N 0 0 403.507 5.047 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(CSCc3ccccc3Cl)o2)cc1 ZINC000071008690 571284732 /nfs/dbraw/zinc/28/47/32/571284732.db2.gz RTTHENQUBGFQSV-UHFFFAOYSA-N 0 0 414.914 5.577 50 0 HKAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000071184910 569251198 /nfs/dbraw/zinc/25/11/98/569251198.db2.gz KWXHXWAEJPENNG-UHFFFAOYSA-N 0 0 413.493 5.173 50 0 HKAARN CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000071195070 569251327 /nfs/dbraw/zinc/25/13/27/569251327.db2.gz WADGZCJAHIEWAF-FQEVSTJZSA-N 0 0 409.505 5.690 50 0 HKAARN CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000071195071 569251276 /nfs/dbraw/zinc/25/12/76/569251276.db2.gz WADGZCJAHIEWAF-HXUWFJFHSA-N 0 0 409.505 5.690 50 0 HKAARN Cc1ccc(-c2nc(-n3c(-c4ccccc4)csc3=O)c(-c3ccccc3)o2)cc1 ZINC000071195108 569251308 /nfs/dbraw/zinc/25/13/08/569251308.db2.gz QZZCYOWUSXPETH-UHFFFAOYSA-N 0 0 410.498 6.196 50 0 HKAARN CSc1nnc(-c2nc(-c3ccccc3)oc2N2CCCCC2)n1-c1ccccc1 ZINC000071195131 569251274 /nfs/dbraw/zinc/25/12/74/569251274.db2.gz IGRGRYXUQSHMPY-UHFFFAOYSA-N 0 0 417.538 5.302 50 0 HKAARN CCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000071259821 569251717 /nfs/dbraw/zinc/25/17/17/569251717.db2.gz WSHZTWRIYGUEPJ-UHFFFAOYSA-N 0 0 413.546 5.435 50 0 HKAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O ZINC000071279537 571290367 /nfs/dbraw/zinc/29/03/67/571290367.db2.gz PYOCKINPSLOLGV-IBGZPJMESA-N 0 0 401.532 5.062 50 0 HKAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O ZINC000071279538 571290429 /nfs/dbraw/zinc/29/04/29/571290429.db2.gz PYOCKINPSLOLGV-LJQANCHMSA-N 0 0 401.532 5.062 50 0 HKAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(-c4ccncc4)cs3)s2)ccn1 ZINC000071279654 571290411 /nfs/dbraw/zinc/29/04/11/571290411.db2.gz QCJSORGCLPEENN-UHFFFAOYSA-N 0 0 421.551 5.237 50 0 HKAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000071279900 571290409 /nfs/dbraw/zinc/29/04/09/571290409.db2.gz GDERHWVZGBAYMZ-CQSZACIVSA-N 0 0 400.276 5.610 50 0 HKAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000071279901 571290392 /nfs/dbraw/zinc/29/03/92/571290392.db2.gz GDERHWVZGBAYMZ-AWEZNQCLSA-N 0 0 400.276 5.610 50 0 HKAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)ccn1 ZINC000071280231 571290521 /nfs/dbraw/zinc/29/05/21/571290521.db2.gz GYLPXNZJQXWKND-UHFFFAOYSA-N 0 0 421.551 5.237 50 0 HKAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O ZINC000071281242 558763615 /nfs/dbraw/zinc/76/36/15/558763615.db2.gz WQYUZZNEVXKRBC-IBGZPJMESA-N 0 0 401.532 5.474 50 0 HKAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O ZINC000071281244 558763638 /nfs/dbraw/zinc/76/36/38/558763638.db2.gz WQYUZZNEVXKRBC-LJQANCHMSA-N 0 0 401.532 5.474 50 0 HKAARN O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc(Cl)cc1Cl ZINC000071283577 569251874 /nfs/dbraw/zinc/25/18/74/569251874.db2.gz ITHHJFWKMJYFIB-UHFFFAOYSA-N 0 0 424.287 5.009 50 0 HKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(Br)s1)CC(=O)N2 ZINC000071283746 558765600 /nfs/dbraw/zinc/76/56/00/558765600.db2.gz FLAPQHKPPCZCDG-NSHDSACASA-N 0 0 410.337 5.019 50 0 HKAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Br)s1)CC(=O)N2 ZINC000071283747 569251935 /nfs/dbraw/zinc/25/19/35/569251935.db2.gz FLAPQHKPPCZCDG-LLVKDONJSA-N 0 0 410.337 5.019 50 0 HKAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000071283788 569251972 /nfs/dbraw/zinc/25/19/72/569251972.db2.gz DLFNIEWJHVOGMN-LBPRGKRZSA-N 0 0 406.269 5.448 50 0 HKAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000071283789 569251997 /nfs/dbraw/zinc/25/19/97/569251997.db2.gz DLFNIEWJHVOGMN-GFCCVEGCSA-N 0 0 406.269 5.448 50 0 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O=c1c2sccc2nc(SCc2ccccn2)n1CCc1ccc(Cl)cc1 ZINC000071327668 571292290 /nfs/dbraw/zinc/29/22/90/571292290.db2.gz HMVTUZDIRCYAKE-UHFFFAOYSA-N 0 0 413.955 5.041 50 0 HKAARN O=c1c2sccc2nc(SCc2cccnc2)n1CCc1ccc(Cl)cc1 ZINC000071327669 571292233 /nfs/dbraw/zinc/29/22/33/571292233.db2.gz OQPIIHKLWOBQRB-UHFFFAOYSA-N 0 0 413.955 5.041 50 0 HKAARN O=c1c2sccc2nc(SCc2ccncc2)n1CCc1ccc(Cl)cc1 ZINC000071327670 571292375 /nfs/dbraw/zinc/29/23/75/571292375.db2.gz IOISHNHNJOCVLM-UHFFFAOYSA-N 0 0 413.955 5.041 50 0 HKAARN COc1ccc(-n2c(SCc3c(C)cc(C)cc3C)nc3ccsc3c2=O)cc1 ZINC000071327673 571292361 /nfs/dbraw/zinc/29/23/61/571292361.db2.gz SZIFZLNESBIVNX-UHFFFAOYSA-N 0 0 422.575 5.673 50 0 HKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2C)cc1 ZINC000071328026 571292538 /nfs/dbraw/zinc/29/25/38/571292538.db2.gz XPVSXURODHGVTM-UHFFFAOYSA-N 0 0 423.582 5.483 50 0 HKAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000071328027 571292536 /nfs/dbraw/zinc/29/25/36/571292536.db2.gz 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/nfs/dbraw/zinc/83/13/61/558831361.db2.gz NQSGAAWNHKNJTK-HNNXBMFYSA-N 0 0 424.957 5.336 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)[C@H](C)c3ccncc3)cc12 ZINC000071939464 558831375 /nfs/dbraw/zinc/83/13/75/558831375.db2.gz NQSGAAWNHKNJTK-OAHLLOKOSA-N 0 0 424.957 5.336 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2)n[nH]1 ZINC000071945354 558833080 /nfs/dbraw/zinc/83/30/80/558833080.db2.gz DHHSDAAHEMHUQC-OAQYLSRUSA-N 0 0 400.507 5.252 50 0 HKAARN Cc1nc(-c2cccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2)n[nH]1 ZINC000071945355 558833126 /nfs/dbraw/zinc/83/31/26/558833126.db2.gz DHHSDAAHEMHUQC-NRFANRHFSA-N 0 0 400.507 5.252 50 0 HKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000071965924 558956712 /nfs/dbraw/zinc/95/67/12/558956712.db2.gz UAWYJNGBPLSOBN-UHFFFAOYSA-N 0 0 416.506 5.570 50 0 HKAARN Cc1ncsc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000071971517 558259888 /nfs/dbraw/zinc/25/98/88/558259888.db2.gz ZCKJGQNEINWXJG-UHFFFAOYSA-N 0 0 417.865 5.423 50 0 HKAARN Cc1ccc(I)cc1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000071973905 569284894 /nfs/dbraw/zinc/28/48/94/569284894.db2.gz UCEUYWYTFYVWBY-UHFFFAOYSA-N 0 0 422.262 5.698 50 0 HKAARN Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000071978184 568919707 /nfs/dbraw/zinc/91/97/07/568919707.db2.gz GUQGIWUWTWDUFU-UHFFFAOYSA-N 0 0 402.295 5.822 50 0 HKAARN Nc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc(Br)c2)n1 ZINC000071978189 568919786 /nfs/dbraw/zinc/91/97/86/568919786.db2.gz UKLKNLJODMEVKI-UHFFFAOYSA-N 0 0 402.295 5.822 50 0 HKAARN O=c1oc2ccccc2n1CCNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000071983168 558369121 /nfs/dbraw/zinc/36/91/21/558369121.db2.gz ILLHEBXAPKZQMN-UHFFFAOYSA-N 0 0 416.264 5.201 50 0 HKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000071983198 558371029 /nfs/dbraw/zinc/37/10/29/558371029.db2.gz ONHBXOGOLWGJME-OKILXGFUSA-N 0 0 408.329 5.382 50 0 HKAARN C[C@H]1CCC[C@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000071983199 558370960 /nfs/dbraw/zinc/37/09/60/558370960.db2.gz ONHBXOGOLWGJME-KBPBESRZSA-N 0 0 408.329 5.382 50 0 HKAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000071983200 558371013 /nfs/dbraw/zinc/37/10/13/558371013.db2.gz ONHBXOGOLWGJME-ZIAGYGMSSA-N 0 0 408.329 5.382 50 0 HKAARN Cc1oc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c1Br ZINC000072000916 558417318 /nfs/dbraw/zinc/41/73/18/558417318.db2.gz UYWBTZOMJUHCCU-UHFFFAOYSA-N 0 0 413.271 5.164 50 0 HKAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000072002145 558413865 /nfs/dbraw/zinc/41/38/65/558413865.db2.gz QFRNWHYKYMDSJO-HNNXBMFYSA-N 0 0 422.504 5.272 50 0 HKAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000072002146 558413879 /nfs/dbraw/zinc/41/38/79/558413879.db2.gz QFRNWHYKYMDSJO-OAHLLOKOSA-N 0 0 422.504 5.272 50 0 HKAARN O=C(c1cnc(NCc2ccc(F)cc2C(F)(F)F)c(Cl)c1)N1CCCCC1 ZINC000072014020 558426140 /nfs/dbraw/zinc/42/61/40/558426140.db2.gz BACRLDHCHOPHPK-UHFFFAOYSA-N 0 0 415.818 5.131 50 0 HKAARN Cc1nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)oc1C ZINC000072014586 558428249 /nfs/dbraw/zinc/42/82/49/558428249.db2.gz QRSZPDIXKHGXLR-UHFFFAOYSA-N 0 0 417.456 6.001 50 0 HKAARN Cc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)ccc1Oc1cccnc1 ZINC000072028849 558434053 /nfs/dbraw/zinc/43/40/53/558434053.db2.gz OFPCCZDZSWPGHS-UHFFFAOYSA-N 0 0 401.470 5.069 50 0 HKAARN O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1nc(Cl)ccc1Cl ZINC000072047120 558438894 /nfs/dbraw/zinc/43/88/94/558438894.db2.gz LVPLAMNNGXJGBZ-UHFFFAOYSA-N 0 0 406.700 5.906 50 0 HKAARN CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2SC(C)C)CC1)c1ccccc1 ZINC000072056881 558442635 /nfs/dbraw/zinc/44/26/35/558442635.db2.gz QVJYRKVXWHCCOV-NRFANRHFSA-N 0 0 424.610 5.102 50 0 HKAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2SC(C)C)CC1)c1ccccc1 ZINC000072056882 558442619 /nfs/dbraw/zinc/44/26/19/558442619.db2.gz QVJYRKVXWHCCOV-OAQYLSRUSA-N 0 0 424.610 5.102 50 0 HKAARN CCc1c(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)[nH]c(C)c1C(C)=O ZINC000072057492 558934227 /nfs/dbraw/zinc/93/42/27/558934227.db2.gz NUKKVWIKCTWQLJ-UHFFFAOYSA-N 0 0 423.509 5.018 50 0 HKAARN FC(F)(F)c1cccc(-c2noc(COc3nc(-c4ccccc4Cl)no3)n2)c1 ZINC000072068273 558448258 /nfs/dbraw/zinc/44/82/58/558448258.db2.gz XDZNXZLKICOLPT-UHFFFAOYSA-N 0 0 422.750 5.038 50 0 HKAARN O=C(Cc1cccc(Br)c1)NCc1ccccc1COCc1ccccc1 ZINC000072068835 558448282 /nfs/dbraw/zinc/44/82/82/558448282.db2.gz OGQHPKVJRCQAFX-UHFFFAOYSA-N 0 0 424.338 5.025 50 0 HKAARN CC(=O)c1c(C)[nH]c(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c1C ZINC000072079638 558454299 /nfs/dbraw/zinc/45/42/99/558454299.db2.gz UNCWJKHUMUNDND-UHFFFAOYSA-N 0 0 419.337 5.503 50 0 HKAARN Cc1ccc2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2n1 ZINC000072090943 558939367 /nfs/dbraw/zinc/93/93/67/558939367.db2.gz YPXBBWYPSDGTIX-UHFFFAOYSA-N 0 0 410.564 5.429 50 0 HKAARN COc1ccccc1/C=C\c1ccc(-c2ccc(/C=C\c3ccccc3OC)cc2)cc1 ZINC000072099099 558926112 /nfs/dbraw/zinc/92/61/12/558926112.db2.gz HZAWHDJKNZWAAR-BMJUYKDLSA-N 0 0 418.536 7.712 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000072115417 558926493 /nfs/dbraw/zinc/92/64/93/558926493.db2.gz UHSNKWMVRSQGQF-UHFFFAOYSA-N 0 0 402.502 5.081 50 0 HKAARN CCc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000072115584 558926689 /nfs/dbraw/zinc/92/66/89/558926689.db2.gz VPVUYHODBGAVCA-UHFFFAOYSA-N 0 0 416.529 5.335 50 0 HKAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1ccc2ccccc2c1 ZINC000072115848 558926990 /nfs/dbraw/zinc/92/69/90/558926990.db2.gz BPVFOBJFXFYGFZ-UHFFFAOYSA-N 0 0 421.464 5.203 50 0 HKAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000072116139 558926914 /nfs/dbraw/zinc/92/69/14/558926914.db2.gz VGKYSOZQAGETTO-UHFFFAOYSA-N 0 0 416.529 5.335 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(-n2ccnc2)n1 ZINC000072117229 558927332 /nfs/dbraw/zinc/92/73/32/558927332.db2.gz JUAZMAUGHOUDKX-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000072117494 558927542 /nfs/dbraw/zinc/92/75/42/558927542.db2.gz LUOZBURNMCQFHE-UHFFFAOYSA-N 0 0 402.502 5.081 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)n1 ZINC000072117515 558927436 /nfs/dbraw/zinc/92/74/36/558927436.db2.gz MBMWYXPIRGHJEN-UHFFFAOYSA-N 0 0 420.492 5.220 50 0 HKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)n1 ZINC000072117555 558927446 /nfs/dbraw/zinc/92/74/46/558927446.db2.gz STGVQMWUQMXVQN-UHFFFAOYSA-N 0 0 408.531 5.326 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)n1 ZINC000072117563 558927469 /nfs/dbraw/zinc/92/74/69/558927469.db2.gz XOQFTBAAUZMVBZ-UHFFFAOYSA-N 0 0 416.529 5.390 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)n1 ZINC000072117621 558927535 /nfs/dbraw/zinc/92/75/35/558927535.db2.gz HQPXYOLPKTXNMW-UHFFFAOYSA-N 0 0 422.920 5.426 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(Cl)c1 ZINC000072117657 558927567 /nfs/dbraw/zinc/92/75/67/558927567.db2.gz ORSJQNKYIUDXHU-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(-n2ccnc2)n1 ZINC000072117666 558927463 /nfs/dbraw/zinc/92/74/63/558927463.db2.gz QSCFJPPINMYEJS-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1Cl ZINC000072117875 558927712 /nfs/dbraw/zinc/92/77/12/558927712.db2.gz LXIOOBQQRFDLMT-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n1 ZINC000072117895 558927768 /nfs/dbraw/zinc/92/77/68/558927768.db2.gz VBUSTHZABAJDGL-UHFFFAOYSA-N 0 0 424.455 5.051 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000072140651 558929297 /nfs/dbraw/zinc/92/92/97/558929297.db2.gz AJVKFRXQABOYJN-UHFFFAOYSA-N 0 0 416.529 5.390 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 ZINC000072140661 558929271 /nfs/dbraw/zinc/92/92/71/558929271.db2.gz UWFFFGMZMKWZFN-UHFFFAOYSA-N 0 0 419.876 5.012 50 0 HKAARN O=C(CC(=O)Nc1ccc(SC(F)F)cc1)Nc1ccc(SC(F)F)cc1 ZINC000072193615 558930809 /nfs/dbraw/zinc/93/08/09/558930809.db2.gz WEHYXTJPLXBGIO-UHFFFAOYSA-N 0 0 418.437 5.283 50 0 HKAARN O=C(Nc1ccc(NCC2CCCC2)cc1)c1cnc2c(cnn2C2CCCC2)c1 ZINC000072232616 558631103 /nfs/dbraw/zinc/63/11/03/558631103.db2.gz MTKLZBYUFOPSDF-UHFFFAOYSA-N 0 0 403.530 5.401 50 0 HKAARN CCCC1(CCC)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000072232703 558932236 /nfs/dbraw/zinc/93/22/36/558932236.db2.gz QQTBEFPDRHYPLE-UHFFFAOYSA-N 0 0 408.177 7.078 50 0 HKAARN COc1cccc(-c2nc3nc(-c4ccccc4C)oc3c(N3CCCCC3)n2)c1 ZINC000072238496 558637763 /nfs/dbraw/zinc/63/77/63/558637763.db2.gz PJLGRAKJIDXJNR-UHFFFAOYSA-N 0 0 400.482 5.259 50 0 HKAARN O=C(CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000072238666 558638200 /nfs/dbraw/zinc/63/82/00/558638200.db2.gz QHHGXPOZSIYMHC-UHFFFAOYSA-N 0 0 414.486 5.569 50 0 HKAARN O=C(COc1ccc2ccccc2c1)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000072243340 558642965 /nfs/dbraw/zinc/64/29/65/558642965.db2.gz RPOCFWGCAGJUHJ-UHFFFAOYSA-N 0 0 408.910 5.312 50 0 HKAARN Cc1ccc(-c2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)cs3)[nH]n2)cc1 ZINC000072243342 558642987 /nfs/dbraw/zinc/64/29/87/558642987.db2.gz WIOOIWMNRRCXES-UHFFFAOYSA-N 0 0 408.914 5.092 50 0 HKAARN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2ccccc2F)on1 ZINC000072260048 558654005 /nfs/dbraw/zinc/65/40/05/558654005.db2.gz ALFDIGDBCVHEHC-UHFFFAOYSA-N 0 0 413.861 5.188 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3C)nc2c1 ZINC000072260283 558932566 /nfs/dbraw/zinc/93/25/66/558932566.db2.gz QEXNTKMIOCBTES-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(OC)ccc4o3)c2C)cc1 ZINC000072260286 558932794 /nfs/dbraw/zinc/93/27/94/558932794.db2.gz SIZCGYFSAFMFTF-UHFFFAOYSA-N 0 0 416.477 5.392 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3C)nc2c1 ZINC000072260287 558932722 /nfs/dbraw/zinc/93/27/22/558932722.db2.gz TWGFENSOZZGRJR-UHFFFAOYSA-N 0 0 402.450 5.138 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3C)nc2c1 ZINC000072260288 558932720 /nfs/dbraw/zinc/93/27/20/558932720.db2.gz VRGCTXMRKQMRAD-UHFFFAOYSA-N 0 0 416.477 5.446 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3C)nc2c1 ZINC000072260290 558932726 /nfs/dbraw/zinc/93/27/26/558932726.db2.gz XFXIRCKVKSAQJU-UHFFFAOYSA-N 0 0 416.477 5.446 50 0 HKAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3C)nc2c1 ZINC000072260291 558932785 /nfs/dbraw/zinc/93/27/85/558932785.db2.gz GNMBPAUJMKNUDQ-UHFFFAOYSA-N 0 0 422.868 5.483 50 0 HKAARN COc1cccc(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c1OC(F)F ZINC000072264318 558663992 /nfs/dbraw/zinc/66/39/92/558663992.db2.gz UJEDYMKASPKQCZ-KRWDZBQOSA-N 0 0 423.868 5.531 50 0 HKAARN COc1cccc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c1OC(F)F ZINC000072264320 558664005 /nfs/dbraw/zinc/66/40/05/558664005.db2.gz UJEDYMKASPKQCZ-QGZVFWFLSA-N 0 0 423.868 5.531 50 0 HKAARN COc1ccc(-c2csc(CNC(=O)c3cc(SC)ccc3Cl)n2)cc1 ZINC000072264949 558663921 /nfs/dbraw/zinc/66/39/21/558663921.db2.gz FYKICVKQGGWTKM-UHFFFAOYSA-N 0 0 404.944 5.124 50 0 HKAARN COc1ccc([C@H](C)N(C(=O)c2scnc2C)C2CCC(C)CC2)c(OC)c1 ZINC000072269947 558673047 /nfs/dbraw/zinc/67/30/47/558673047.db2.gz GVIIHOUAPJEARG-WIHSUSGWSA-N 0 0 402.560 5.251 50 0 HKAARN COc1ccc([C@@H](C)N(C(=O)c2scnc2C)C2CCC(C)CC2)c(OC)c1 ZINC000072269948 558673131 /nfs/dbraw/zinc/67/31/31/558673131.db2.gz GVIIHOUAPJEARG-ARWYELJZSA-N 0 0 402.560 5.251 50 0 HKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 ZINC000072270802 558673209 /nfs/dbraw/zinc/67/32/09/558673209.db2.gz AFXATBZALFWSGZ-UHFFFAOYSA-N 0 0 405.285 5.486 50 0 HKAARN CCC(CC)(NC(=O)Nc1cccc(-c2nnco2)c1)c1ccc(Cl)c(Cl)c1 ZINC000072271038 558673507 /nfs/dbraw/zinc/67/35/07/558673507.db2.gz SQBLZCOFIMHCAG-UHFFFAOYSA-N 0 0 419.312 5.880 50 0 HKAARN CC[C@](C)(NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000072271546 558673946 /nfs/dbraw/zinc/67/39/46/558673946.db2.gz DBDRQCGVSDGXJP-VWLOTQADSA-N 0 0 401.510 5.410 50 0 HKAARN CC[C@@](C)(NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000072271547 559014374 /nfs/dbraw/zinc/01/43/74/559014374.db2.gz DBDRQCGVSDGXJP-RUZDIDTESA-N 0 0 401.510 5.410 50 0 HKAARN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cccc(Cl)c1Cl ZINC000072272005 558677306 /nfs/dbraw/zinc/67/73/06/558677306.db2.gz PRKHTXRQAGKYQK-UHFFFAOYSA-N 0 0 406.338 5.265 50 0 HKAARN O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1cccc(OC(F)F)c1 ZINC000072272692 558692544 /nfs/dbraw/zinc/69/25/44/558692544.db2.gz UONRYFLSYOEINU-LBPRGKRZSA-N 0 0 418.292 5.826 50 0 HKAARN O=C(Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1cccc(OC(F)F)c1 ZINC000072272693 558692525 /nfs/dbraw/zinc/69/25/25/558692525.db2.gz UONRYFLSYOEINU-GFCCVEGCSA-N 0 0 418.292 5.826 50 0 HKAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000072272856 558692665 /nfs/dbraw/zinc/69/26/65/558692665.db2.gz JXEYXWHJNRRQCQ-UHFFFAOYSA-N 0 0 416.304 5.783 50 0 HKAARN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000072272862 558692668 /nfs/dbraw/zinc/69/26/68/558692668.db2.gz WMWICAXBSSWFFW-UHFFFAOYSA-N 0 0 402.321 5.147 50 0 HKAARN COc1cccc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c1OC(F)F ZINC000072273091 558693124 /nfs/dbraw/zinc/69/31/24/558693124.db2.gz ZRBFRKHXIYJXLO-KRWDZBQOSA-N 0 0 423.868 5.531 50 0 HKAARN COc1cccc(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c1OC(F)F ZINC000072273092 558693101 /nfs/dbraw/zinc/69/31/01/558693101.db2.gz ZRBFRKHXIYJXLO-QGZVFWFLSA-N 0 0 423.868 5.531 50 0 HKAARN CSc1ccc(-c2csc(CN3CCC(NC(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000072273306 558694247 /nfs/dbraw/zinc/69/42/47/558694247.db2.gz IRRHTRVKHDNRNS-UHFFFAOYSA-N 0 0 419.616 5.021 50 0 HKAARN Cc1ccc(F)c(NC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000072274382 558699764 /nfs/dbraw/zinc/69/97/64/558699764.db2.gz XUOGHSURUBTPPG-UHFFFAOYSA-N 0 0 412.484 5.540 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1c[nH]c3ccccc31)CC2 ZINC000072274635 558700451 /nfs/dbraw/zinc/70/04/51/558700451.db2.gz ZSVAATNHWMJESP-HSZRJFAPSA-N 0 0 418.518 5.035 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1c[nH]c3ccccc31)CC2 ZINC000072274636 558700416 /nfs/dbraw/zinc/70/04/16/558700416.db2.gz ZSVAATNHWMJESP-QHCPKHFHSA-N 0 0 418.518 5.035 50 0 HKAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC000072274778 558700660 /nfs/dbraw/zinc/70/06/60/558700660.db2.gz QZVRPQJILFWEAO-GUYCJALGSA-N 0 0 424.690 5.300 50 0 HKAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC000072274779 558701017 /nfs/dbraw/zinc/70/10/17/558701017.db2.gz QZVRPQJILFWEAO-DYVFJYSZSA-N 0 0 424.690 5.300 50 0 HKAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC000072274780 558700889 /nfs/dbraw/zinc/70/08/89/558700889.db2.gz QZVRPQJILFWEAO-CXAGYDPISA-N 0 0 424.690 5.300 50 0 HKAARN CC[C@H](NC(=O)Nc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275175 558701391 /nfs/dbraw/zinc/70/13/91/558701391.db2.gz UABWBCJZKOPWLJ-INIZCTEOSA-N 0 0 415.291 5.080 50 0 HKAARN CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275176 558701456 /nfs/dbraw/zinc/70/14/56/558701456.db2.gz UABWBCJZKOPWLJ-MRXNPFEDSA-N 0 0 415.291 5.080 50 0 HKAARN O=C(Nc1cccc(Cn2cccn2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000072275394 558701760 /nfs/dbraw/zinc/70/17/60/558701760.db2.gz OHBFOICCTQJIKG-UHFFFAOYSA-N 0 0 406.505 5.437 50 0 HKAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000072275396 558701865 /nfs/dbraw/zinc/70/18/65/558701865.db2.gz KLHYHXUITUNYKT-UHFFFAOYSA-N 0 0 423.532 5.849 50 0 HKAARN O=C(Nc1ccc(N2CCOC2=O)cc1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000072275398 559021283 /nfs/dbraw/zinc/02/12/83/559021283.db2.gz RPLHLHBCHPSERU-UHFFFAOYSA-N 0 0 411.477 5.149 50 0 HKAARN Cn1c2ccc(F)cc2nc1-c1cccc(OC(=O)c2csc(-c3ccco3)n2)c1 ZINC000072275458 558701142 /nfs/dbraw/zinc/70/11/42/558701142.db2.gz IDLLLDVAHZPETN-UHFFFAOYSA-N 0 0 419.437 5.315 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276804 558702266 /nfs/dbraw/zinc/70/22/66/558702266.db2.gz XMDFUQTWFDBKHW-OAQYLSRUSA-N 0 0 407.949 5.256 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000072276805 559022075 /nfs/dbraw/zinc/02/20/75/559022075.db2.gz XMDFUQTWFDBKHW-NRFANRHFSA-N 0 0 407.949 5.256 50 0 HKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000072277170 558702107 /nfs/dbraw/zinc/70/21/07/558702107.db2.gz GFMGYHIJZLHQKW-SFTDATJTSA-N 0 0 405.460 5.564 50 0 HKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000072277171 558702026 /nfs/dbraw/zinc/70/20/26/558702026.db2.gz GFMGYHIJZLHQKW-RTWAWAEBSA-N 0 0 405.460 5.564 50 0 HKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000072277172 559023051 /nfs/dbraw/zinc/02/30/51/559023051.db2.gz GFMGYHIJZLHQKW-NHCUHLMSSA-N 0 0 405.460 5.564 50 0 HKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000072277173 558702113 /nfs/dbraw/zinc/70/21/13/558702113.db2.gz ORPBBZXWLMYROY-RXVVDRJESA-N 0 0 424.491 5.737 50 0 HKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000072277174 559023058 /nfs/dbraw/zinc/02/30/58/559023058.db2.gz ORPBBZXWLMYROY-NQIIRXRSSA-N 0 0 424.491 5.737 50 0 HKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000072277175 558702337 /nfs/dbraw/zinc/70/23/37/558702337.db2.gz ORPBBZXWLMYROY-GHTZIAJQSA-N 0 0 424.491 5.737 50 0 HKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000072277176 558702355 /nfs/dbraw/zinc/70/23/55/558702355.db2.gz ORPBBZXWLMYROY-WIYYLYMNSA-N 0 0 424.491 5.737 50 0 HKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000072277181 558702372 /nfs/dbraw/zinc/70/23/72/558702372.db2.gz JUDSVFLBUAYWTP-VXKWHMMOSA-N 0 0 403.526 5.162 50 0 HKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000072277182 558702542 /nfs/dbraw/zinc/70/25/42/558702542.db2.gz JUDSVFLBUAYWTP-YADHBBJMSA-N 0 0 403.526 5.162 50 0 HKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000072277183 559023289 /nfs/dbraw/zinc/02/32/89/559023289.db2.gz JUDSVFLBUAYWTP-FCHUYYIVSA-N 0 0 403.526 5.162 50 0 HKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000072277184 558702500 /nfs/dbraw/zinc/70/25/00/558702500.db2.gz JUDSVFLBUAYWTP-FGZHOGPDSA-N 0 0 403.526 5.162 50 0 HKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000072277185 558702601 /nfs/dbraw/zinc/70/26/01/558702601.db2.gz RTWRGJPZMPDTNF-GMAHTHKFSA-N 0 0 417.553 5.229 50 0 HKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000072277186 558702373 /nfs/dbraw/zinc/70/23/73/558702373.db2.gz RTWRGJPZMPDTNF-GGAORHGYSA-N 0 0 417.553 5.229 50 0 HKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000072277187 558702275 /nfs/dbraw/zinc/70/22/75/558702275.db2.gz RTWRGJPZMPDTNF-JTHBVZDNSA-N 0 0 417.553 5.229 50 0 HKAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000072277188 558702384 /nfs/dbraw/zinc/70/23/84/558702384.db2.gz RTWRGJPZMPDTNF-FYYLOGMGSA-N 0 0 417.553 5.229 50 0 HKAARN CCOc1cc(C(=O)Nc2ccc(N3CCCC3)cn2)cc(-c2ccccc2)c1OC ZINC000072277352 558703283 /nfs/dbraw/zinc/70/32/83/558703283.db2.gz JAKFQERNWSBBRS-UHFFFAOYSA-N 0 0 417.509 5.008 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000072277757 558703217 /nfs/dbraw/zinc/70/32/17/558703217.db2.gz USRASHHDMYUCKE-UHFFFAOYSA-N 0 0 422.495 6.076 50 0 HKAARN O=C(CCCc1nc2ccccc2s1)N1CCC(Nc2ccccc2Cl)CC1 ZINC000072278850 558704201 /nfs/dbraw/zinc/70/42/01/558704201.db2.gz RPFMOEYMJMBINB-UHFFFAOYSA-N 0 0 413.974 5.376 50 0 HKAARN CCCC(=O)N1CCC(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 ZINC000072280647 558705656 /nfs/dbraw/zinc/70/56/56/558705656.db2.gz UBJRXTKHTOYXQG-UHFFFAOYSA-N 0 0 416.974 5.468 50 0 HKAARN CCC1CCC(N(C(=O)[C@@H](C)c2c(C)noc2C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072283488 558714704 /nfs/dbraw/zinc/71/47/04/558714704.db2.gz ZKCXFQKVLPUVPF-KLRBPTLVSA-N 0 0 400.538 6.093 50 0 HKAARN CCC1CCC(N(C(=O)[C@@H](C)c2c(C)noc2C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072283490 559064402 /nfs/dbraw/zinc/06/44/02/559064402.db2.gz ZKCXFQKVLPUVPF-BDEBUNFJSA-N 0 0 400.538 6.093 50 0 HKAARN CCC1CCC(N(C(=O)[C@H](C)c2c(C)noc2C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072283491 558714693 /nfs/dbraw/zinc/71/46/93/558714693.db2.gz ZKCXFQKVLPUVPF-IUJGPBQQSA-N 0 0 400.538 6.093 50 0 HKAARN CCC1CCC(N(C(=O)[C@H](C)c2c(C)noc2C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072283492 558714752 /nfs/dbraw/zinc/71/47/52/558714752.db2.gz ZKCXFQKVLPUVPF-CWYLHAJTSA-N 0 0 400.538 6.093 50 0 HKAARN Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)cc1 ZINC000072284522 558932728 /nfs/dbraw/zinc/93/27/28/558932728.db2.gz GTLFIPATVBZEAE-UHFFFAOYSA-N 0 0 403.550 8.120 50 0 HKAARN CC(=O)c1c(C)[nH]c(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)c1C ZINC000072284609 558715112 /nfs/dbraw/zinc/71/51/12/558715112.db2.gz DBXFKOZVEOBZHB-UHFFFAOYSA-N 0 0 421.566 5.547 50 0 HKAARN CCc1c(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)[nH]c(C)c1C(C)=O ZINC000072284613 558715116 /nfs/dbraw/zinc/71/51/16/558715116.db2.gz DAGSTNWCEMTUJQ-UHFFFAOYSA-N 0 0 421.566 5.411 50 0 HKAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C=C1CCC(C)CC1)CC2 ZINC000072285117 559068748 /nfs/dbraw/zinc/06/87/48/559068748.db2.gz DCJOTMUWBXLLJM-OODIQHKMSA-N 0 0 411.567 5.376 50 0 HKAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C=C1CCC(C)CC1)CC2 ZINC000072285118 558715561 /nfs/dbraw/zinc/71/55/61/558715561.db2.gz DCJOTMUWBXLLJM-ODOSRFNGSA-N 0 0 411.567 5.376 50 0 HKAARN CCCCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@@H](CC)c1ccccc1 ZINC000072285126 558715517 /nfs/dbraw/zinc/71/55/17/558715517.db2.gz VJSVDRGHNHNMRS-NRFANRHFSA-N 0 0 424.566 5.276 50 0 HKAARN CCCCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@H](CC)c1ccccc1 ZINC000072285127 558715585 /nfs/dbraw/zinc/71/55/85/558715585.db2.gz VJSVDRGHNHNMRS-OAQYLSRUSA-N 0 0 424.566 5.276 50 0 HKAARN CCCCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)[C@@H](CC)c1ccccc1 ZINC000072285132 558715470 /nfs/dbraw/zinc/71/54/70/558715470.db2.gz RVHQVGKKCPQZGA-LOSJGSFVSA-N 0 0 404.554 5.731 50 0 HKAARN CCCCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)[C@H](CC)c1ccccc1 ZINC000072285133 558715482 /nfs/dbraw/zinc/71/54/82/558715482.db2.gz RVHQVGKKCPQZGA-JWQCQUIFSA-N 0 0 404.554 5.731 50 0 HKAARN CCCCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[C@@H](CC)c1ccccc1 ZINC000072285134 558715510 /nfs/dbraw/zinc/71/55/10/558715510.db2.gz RVHQVGKKCPQZGA-DQEYMECFSA-N 0 0 404.554 5.731 50 0 HKAARN CCCCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[C@H](CC)c1ccccc1 ZINC000072285135 558715496 /nfs/dbraw/zinc/71/54/96/558715496.db2.gz RVHQVGKKCPQZGA-RPBOFIJWSA-N 0 0 404.554 5.731 50 0 HKAARN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc[n+]([O-])c3)cc2F)cc1 ZINC000072285203 558715527 /nfs/dbraw/zinc/71/55/27/558715527.db2.gz DDOWMEBHMSSDKH-QGZVFWFLSA-N 0 0 424.541 5.567 50 0 HKAARN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)c3ccc[n+]([O-])c3)cc2F)cc1 ZINC000072285204 558715617 /nfs/dbraw/zinc/71/56/17/558715617.db2.gz DDOWMEBHMSSDKH-KRWDZBQOSA-N 0 0 424.541 5.567 50 0 HKAARN CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000072285573 558716611 /nfs/dbraw/zinc/71/66/11/558716611.db2.gz PBHVWKJTTBXZRB-DEOSSOPVSA-N 0 0 422.500 5.164 50 0 HKAARN CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000072285574 558716635 /nfs/dbraw/zinc/71/66/35/558716635.db2.gz PBHVWKJTTBXZRB-XMMPIXPASA-N 0 0 422.500 5.164 50 0 HKAARN Cc1csc(C2(NC(=O)c3sc4nc(C(C)(C)C)nc(C)c4c3C)CCC2)n1 ZINC000072286074 558716823 /nfs/dbraw/zinc/71/68/23/558716823.db2.gz FYQQOAHDHZYKCN-UHFFFAOYSA-N 0 0 414.600 5.180 50 0 HKAARN CC(C)n1c(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)nc2ccccc21 ZINC000072288880 558721074 /nfs/dbraw/zinc/72/10/74/558721074.db2.gz GKUKYHUWDJWBMJ-CYBMUJFWSA-N 0 0 406.313 5.008 50 0 HKAARN CC(C)n1c(CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)nc2ccccc21 ZINC000072288881 558721062 /nfs/dbraw/zinc/72/10/62/558721062.db2.gz GKUKYHUWDJWBMJ-ZDUSSCGKSA-N 0 0 406.313 5.008 50 0 HKAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1Cl ZINC000072289150 559077008 /nfs/dbraw/zinc/07/70/08/559077008.db2.gz UOSZHXCXICEDTP-UHFFFAOYSA-N 0 0 412.946 5.578 50 0 HKAARN Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4cccc(Cl)c4)no3)CCCC2)c1 ZINC000072289736 558722542 /nfs/dbraw/zinc/72/25/42/558722542.db2.gz SPJDIAWIUJMULS-UHFFFAOYSA-N 0 0 416.930 5.250 50 0 HKAARN CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 ZINC000072289887 559077960 /nfs/dbraw/zinc/07/79/60/559077960.db2.gz UCUDHVBGWRBIPU-INIZCTEOSA-N 0 0 401.329 5.454 50 0 HKAARN CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 ZINC000072289888 559077912 /nfs/dbraw/zinc/07/79/12/559077912.db2.gz UCUDHVBGWRBIPU-MRXNPFEDSA-N 0 0 401.329 5.454 50 0 HKAARN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(Cl)ccc1Br ZINC000072290242 558723830 /nfs/dbraw/zinc/72/38/30/558723830.db2.gz GRXUQQFEDOSQMC-GFCCVEGCSA-N 0 0 420.738 5.524 50 0 HKAARN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc(Cl)ccc1Br ZINC000072290243 558723723 /nfs/dbraw/zinc/72/37/23/558723723.db2.gz GRXUQQFEDOSQMC-LBPRGKRZSA-N 0 0 420.738 5.524 50 0 HKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000072290775 559078447 /nfs/dbraw/zinc/07/84/47/559078447.db2.gz IERBRIWJGHDIKD-GOSISDBHSA-N 0 0 410.543 5.043 50 0 HKAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000072290776 558724887 /nfs/dbraw/zinc/72/48/87/558724887.db2.gz IERBRIWJGHDIKD-SFHVURJKSA-N 0 0 410.543 5.043 50 0 HKAARN Cc1ncsc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000072293333 558735822 /nfs/dbraw/zinc/73/58/22/558735822.db2.gz DMNSNRBBOWDIIZ-UHFFFAOYSA-N 0 0 400.369 5.377 50 0 HKAARN CC(C)N(Cc1cccnc1)C(=O)c1cc(Cl)c2cccc(Br)c2n1 ZINC000072294391 558739092 /nfs/dbraw/zinc/73/90/92/558739092.db2.gz XULRSMZUXKPCON-UHFFFAOYSA-N 0 0 418.722 5.097 50 0 HKAARN Cc1cc(-c2csc(Cc3nc(-c4ccccc4)n[nH]3)n2)c(C)n1CC(F)(F)F ZINC000072294559 558741756 /nfs/dbraw/zinc/74/17/56/558741756.db2.gz JUDBFIDBFZBMBF-UHFFFAOYSA-N 0 0 417.460 5.167 50 0 HKAARN Brc1ccsc1-c1csc(Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000072294560 559088591 /nfs/dbraw/zinc/08/85/91/559088591.db2.gz GZHGPCVUHGYZCS-UHFFFAOYSA-N 0 0 403.330 5.010 50 0 HKAARN Cn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)c2)cn1 ZINC000072295265 558748060 /nfs/dbraw/zinc/74/80/60/558748060.db2.gz FHEBSEWZEDDPKI-HXUWFJFHSA-N 0 0 402.523 5.064 50 0 HKAARN Cn1cc(-c2cccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)c2)cn1 ZINC000072295266 558747990 /nfs/dbraw/zinc/74/79/90/558747990.db2.gz FHEBSEWZEDDPKI-FQEVSTJZSA-N 0 0 402.523 5.064 50 0 HKAARN Cn1cc(-c2cccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)c2)cn1 ZINC000072295267 558748042 /nfs/dbraw/zinc/74/80/42/558748042.db2.gz COKFBVHPCYWCBZ-UHFFFAOYSA-N 0 0 403.869 5.785 50 0 HKAARN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000072297249 525520301 /nfs/dbraw/zinc/52/03/01/525520301.db2.gz USAUIIWSTYMGEV-RBUKOAKNSA-N 0 0 412.599 5.491 50 0 HKAARN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000072297250 558749750 /nfs/dbraw/zinc/74/97/50/558749750.db2.gz USAUIIWSTYMGEV-OALUTQOASA-N 0 0 412.599 5.491 50 0 HKAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000072297251 525514143 /nfs/dbraw/zinc/51/41/43/525514143.db2.gz USAUIIWSTYMGEV-RTBURBONSA-N 0 0 412.599 5.491 50 0 HKAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000072297252 558749816 /nfs/dbraw/zinc/74/98/16/558749816.db2.gz USAUIIWSTYMGEV-MOPGFXCFSA-N 0 0 412.599 5.491 50 0 HKAARN COc1ccccc1CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000072297877 558750327 /nfs/dbraw/zinc/75/03/27/558750327.db2.gz DDIBCNXYHBXYBD-UHFFFAOYSA-N 0 0 401.388 5.034 50 0 HKAARN COc1ccc(-c2cc(C(=O)Nc3c(C)ccnc3Cl)c3ccccc3n2)cc1 ZINC000072300851 558750541 /nfs/dbraw/zinc/75/05/41/558750541.db2.gz YJNUKGNCDGZFHK-UHFFFAOYSA-N 0 0 403.869 5.520 50 0 HKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(c1ccccc1F)C1CCCC1 ZINC000072300863 558750602 /nfs/dbraw/zinc/75/06/02/558750602.db2.gz LQQNERITTVQNKE-UHFFFAOYSA-N 0 0 414.427 5.667 50 0 HKAARN CC(C)(C)SCC(=O)Nc1cccc(N(CC2CC2)C(=O)CSC(C)(C)C)c1 ZINC000072300878 558750588 /nfs/dbraw/zinc/75/05/88/558750588.db2.gz NPEJXSAWDHTTKV-UHFFFAOYSA-N 0 0 422.660 5.432 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N[C@@H](c2ncc(C)s2)C2CC2)n1 ZINC000072301678 559122317 /nfs/dbraw/zinc/12/23/17/559122317.db2.gz YTKZPXMQXWKOOO-LJQANCHMSA-N 0 0 422.579 5.833 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N[C@H](c2ncc(C)s2)C2CC2)n1 ZINC000072301679 558751843 /nfs/dbraw/zinc/75/18/43/558751843.db2.gz YTKZPXMQXWKOOO-IBGZPJMESA-N 0 0 422.579 5.833 50 0 HKAARN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000072302775 558755454 /nfs/dbraw/zinc/75/54/54/558755454.db2.gz WSVFPAJLUHNRNW-MRXNPFEDSA-N 0 0 415.468 5.412 50 0 HKAARN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000072302776 558755570 /nfs/dbraw/zinc/75/55/70/558755570.db2.gz WSVFPAJLUHNRNW-INIZCTEOSA-N 0 0 415.468 5.412 50 0 HKAARN C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000072303584 559124283 /nfs/dbraw/zinc/12/42/83/559124283.db2.gz RWKWCJFPXXKKHS-HNNXBMFYSA-N 0 0 403.413 5.159 50 0 HKAARN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000072303585 559124253 /nfs/dbraw/zinc/12/42/53/559124253.db2.gz RWKWCJFPXXKKHS-OAHLLOKOSA-N 0 0 403.413 5.159 50 0 HKAARN Cc1oc(C2CCN([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)nc1-c1ccccc1 ZINC000072304926 558757283 /nfs/dbraw/zinc/75/72/83/558757283.db2.gz YCKPBRUMJGFKSE-LJQANCHMSA-N 0 0 417.553 5.473 50 0 HKAARN Cc1oc(C2CCN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)nc1-c1ccccc1 ZINC000072304927 558757400 /nfs/dbraw/zinc/75/74/00/558757400.db2.gz YCKPBRUMJGFKSE-IBGZPJMESA-N 0 0 417.553 5.473 50 0 HKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072305175 558757865 /nfs/dbraw/zinc/75/78/65/558757865.db2.gz JRQMVNNRLDBFOK-LJQANCHMSA-N 0 0 408.502 5.578 50 0 HKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072305176 558757891 /nfs/dbraw/zinc/75/78/91/558757891.db2.gz JRQMVNNRLDBFOK-IBGZPJMESA-N 0 0 408.502 5.578 50 0 HKAARN COc1cc(C(C)=O)ccc1O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000072305371 558759573 /nfs/dbraw/zinc/75/95/73/558759573.db2.gz NATIGDWSCLOAFT-LBPRGKRZSA-N 0 0 406.360 5.107 50 0 HKAARN COc1cc(C(C)=O)ccc1O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000072305372 522179988 /nfs/dbraw/zinc/17/99/88/522179988.db2.gz NATIGDWSCLOAFT-GFCCVEGCSA-N 0 0 406.360 5.107 50 0 HKAARN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000072305850 558762094 /nfs/dbraw/zinc/76/20/94/558762094.db2.gz KXZFOQUDDUBZBQ-CYBMUJFWSA-N 0 0 423.473 5.190 50 0 HKAARN Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000072305851 558762107 /nfs/dbraw/zinc/76/21/07/558762107.db2.gz KXZFOQUDDUBZBQ-ZDUSSCGKSA-N 0 0 423.473 5.190 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000072305877 558762347 /nfs/dbraw/zinc/76/23/47/558762347.db2.gz LIIIQQMJKBCMQE-IBGZPJMESA-N 0 0 406.534 5.148 50 0 HKAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000072305878 558762278 /nfs/dbraw/zinc/76/22/78/558762278.db2.gz LIIIQQMJKBCMQE-LJQANCHMSA-N 0 0 406.534 5.148 50 0 HKAARN COc1ncccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000072305884 558762286 /nfs/dbraw/zinc/76/22/86/558762286.db2.gz IDGYOIWIAWUYQP-SFHVURJKSA-N 0 0 406.486 5.238 50 0 HKAARN COc1ncccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000072305885 525069789 /nfs/dbraw/zinc/06/97/89/525069789.db2.gz IDGYOIWIAWUYQP-GOSISDBHSA-N 0 0 406.486 5.238 50 0 HKAARN Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000072306015 558762741 /nfs/dbraw/zinc/76/27/41/558762741.db2.gz YEKAFWIOIYJPFA-UHFFFAOYSA-N 0 0 414.534 5.748 50 0 HKAARN CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H](Cc1ccccn1)C(C)(C)C ZINC000072306477 558765939 /nfs/dbraw/zinc/76/59/39/558765939.db2.gz DGOINEGDXCMTQU-LJQANCHMSA-N 0 0 413.974 5.588 50 0 HKAARN CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H](Cc1ccccn1)C(C)(C)C ZINC000072306478 558765941 /nfs/dbraw/zinc/76/59/41/558765941.db2.gz DGOINEGDXCMTQU-IBGZPJMESA-N 0 0 413.974 5.588 50 0 HKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2c(C)noc2C)cc1 ZINC000072306743 558765880 /nfs/dbraw/zinc/76/58/80/558765880.db2.gz VUOYNJKVEVFVFO-UHFFFAOYSA-N 0 0 403.482 5.044 50 0 HKAARN Cc1ccccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000072306814 558766113 /nfs/dbraw/zinc/76/61/13/558766113.db2.gz XXSJSZKUENVWIN-UHFFFAOYSA-N 0 0 413.321 5.471 50 0 HKAARN CC1CCC(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000072306884 558766129 /nfs/dbraw/zinc/76/61/29/558766129.db2.gz OLTYMMXFGZOYPH-UHFFFAOYSA-N 0 0 419.369 5.218 50 0 HKAARN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000072307260 521574577 /nfs/dbraw/zinc/57/45/77/521574577.db2.gz ZTOXDXNFHOEXSO-HXUWFJFHSA-N 0 0 412.555 5.556 50 0 HKAARN CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000072307261 521585205 /nfs/dbraw/zinc/58/52/05/521585205.db2.gz ZTOXDXNFHOEXSO-FQEVSTJZSA-N 0 0 412.555 5.556 50 0 HKAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 ZINC000072307387 558767349 /nfs/dbraw/zinc/76/73/49/558767349.db2.gz JZUDVXZUMKKEIA-HXUWFJFHSA-N 0 0 410.539 5.299 50 0 HKAARN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 ZINC000072307388 558767453 /nfs/dbraw/zinc/76/74/53/558767453.db2.gz JZUDVXZUMKKEIA-FQEVSTJZSA-N 0 0 410.539 5.299 50 0 HKAARN O[C@@H](c1ccccc1)C1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000072307801 558767868 /nfs/dbraw/zinc/76/78/68/558767868.db2.gz BMFSNDSSQUYEJK-NRFANRHFSA-N 0 0 415.306 5.086 50 0 HKAARN O[C@H](c1ccccc1)C1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000072307802 558767937 /nfs/dbraw/zinc/76/79/37/558767937.db2.gz BMFSNDSSQUYEJK-OAQYLSRUSA-N 0 0 415.306 5.086 50 0 HKAARN CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N1C(=O)c1cccc(F)c1 ZINC000072307942 558768069 /nfs/dbraw/zinc/76/80/69/558768069.db2.gz NKLJXQXJDVSCEY-QHCPKHFHSA-N 0 0 420.459 5.297 50 0 HKAARN CC(C)[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N1C(=O)c1cccc(F)c1 ZINC000072307943 558768129 /nfs/dbraw/zinc/76/81/29/558768129.db2.gz NKLJXQXJDVSCEY-HSZRJFAPSA-N 0 0 420.459 5.297 50 0 HKAARN CCc1ccc(C(=O)N2C[C@H](C(C)C)N(C(=O)c3ccc(CC)o3)c3ccccc32)o1 ZINC000072307944 558768041 /nfs/dbraw/zinc/76/80/41/558768041.db2.gz KTAFTDFXKFQEAE-OAQYLSRUSA-N 0 0 420.509 5.329 50 0 HKAARN CCc1ccc(C(=O)N2C[C@@H](C(C)C)N(C(=O)c3ccc(CC)o3)c3ccccc32)o1 ZINC000072307945 558768108 /nfs/dbraw/zinc/76/81/08/558768108.db2.gz KTAFTDFXKFQEAE-NRFANRHFSA-N 0 0 420.509 5.329 50 0 HKAARN CC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000072307947 558768054 /nfs/dbraw/zinc/76/80/54/558768054.db2.gz CTTXJRODFRSDDH-CABCVRRESA-N 0 0 412.496 5.442 50 0 HKAARN CC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000072307948 558768234 /nfs/dbraw/zinc/76/82/34/558768234.db2.gz CTTXJRODFRSDDH-GJZGRUSLSA-N 0 0 412.496 5.442 50 0 HKAARN CC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC000072307949 558768289 /nfs/dbraw/zinc/76/82/89/558768289.db2.gz CTTXJRODFRSDDH-HUUCEWRRSA-N 0 0 412.496 5.442 50 0 HKAARN CC[C@@H](C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H](C)CC)CC1 ZINC000072307950 559161124 /nfs/dbraw/zinc/16/11/24/559161124.db2.gz CTTXJRODFRSDDH-LSDHHAIUSA-N 0 0 412.496 5.442 50 0 HKAARN O=C(CSc1ccccc1Cl)N1c2ccccc2NC(=O)C[C@H]1c1ccccc1 ZINC000072307951 558768221 /nfs/dbraw/zinc/76/82/21/558768221.db2.gz HGEYEIHUVLGGAC-FQEVSTJZSA-N 0 0 422.937 5.549 50 0 HKAARN O=C(CSc1ccccc1Cl)N1c2ccccc2NC(=O)C[C@@H]1c1ccccc1 ZINC000072307952 558768271 /nfs/dbraw/zinc/76/82/71/558768271.db2.gz HGEYEIHUVLGGAC-HXUWFJFHSA-N 0 0 422.937 5.549 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(CN(C(=O)c3ccc(C)o3)c3ccccc3)cc2)o1 ZINC000072307981 558768292 /nfs/dbraw/zinc/76/82/92/558768292.db2.gz AQFZTIAIAWOZEH-UHFFFAOYSA-N 0 0 414.461 5.589 50 0 HKAARN C[C@@](OC(=O)c1ccc(Cl)nc1)(c1cccc(Br)c1)C(F)(F)F ZINC000072307986 558768220 /nfs/dbraw/zinc/76/82/20/558768220.db2.gz LIQUFTNVWOZCTC-CQSZACIVSA-N 0 0 408.601 5.132 50 0 HKAARN C[C@](OC(=O)c1ccc(Cl)nc1)(c1cccc(Br)c1)C(F)(F)F ZINC000072307987 558768275 /nfs/dbraw/zinc/76/82/75/558768275.db2.gz LIQUFTNVWOZCTC-AWEZNQCLSA-N 0 0 408.601 5.132 50 0 HKAARN Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(C)c(F)c3)c3ccccc32)cc1F ZINC000072307992 558768244 /nfs/dbraw/zinc/76/82/44/558768244.db2.gz HWJKQFDHSVWPAM-KRWDZBQOSA-N 0 0 420.459 5.277 50 0 HKAARN Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)c(F)c3)c3ccccc32)cc1F ZINC000072307993 558768308 /nfs/dbraw/zinc/76/83/08/558768308.db2.gz HWJKQFDHSVWPAM-QGZVFWFLSA-N 0 0 420.459 5.277 50 0 HKAARN C[C@@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 ZINC000072308039 524386474 /nfs/dbraw/zinc/38/64/74/524386474.db2.gz KPCIUGKIUJEIEU-KRWDZBQOSA-N 0 0 421.928 5.794 50 0 HKAARN C[C@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 ZINC000072308040 526249095 /nfs/dbraw/zinc/24/90/95/526249095.db2.gz KPCIUGKIUJEIEU-QGZVFWFLSA-N 0 0 421.928 5.794 50 0 HKAARN Cc1nc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308405 558770521 /nfs/dbraw/zinc/77/05/21/558770521.db2.gz QIAHVRGHZQMYSK-JOCHJYFZSA-N 0 0 412.537 6.054 50 0 HKAARN Cc1nc(CN2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 ZINC000072308406 558770452 /nfs/dbraw/zinc/77/04/52/558770452.db2.gz QIAHVRGHZQMYSK-QFIPXVFZSA-N 0 0 412.537 6.054 50 0 HKAARN CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc2ccccc2n1 ZINC000072308528 558769391 /nfs/dbraw/zinc/76/93/91/558769391.db2.gz HMWZZKRFAWAESZ-UHFFFAOYSA-N 0 0 422.743 5.656 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2nnc(C(C)C)o2)CCC3)c1 ZINC000072308725 558770746 /nfs/dbraw/zinc/77/07/46/558770746.db2.gz CDCFVJRTSYTCHM-UHFFFAOYSA-N 0 0 405.502 5.098 50 0 HKAARN O=C(CN(Cc1ccccc1)CC(F)F)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072308840 526699708 /nfs/dbraw/zinc/69/97/08/526699708.db2.gz NTHXWUVQWICZTL-UHFFFAOYSA-N 0 0 406.782 5.065 50 0 HKAARN Cc1csc(C2(NCc3coc(-c4ccc(Br)cc4)n3)CCCC2)n1 ZINC000072308884 558771644 /nfs/dbraw/zinc/77/16/44/558771644.db2.gz DACJRWPPYWWBRI-UHFFFAOYSA-N 0 0 418.360 5.428 50 0 HKAARN CC(C)c1cc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)on1 ZINC000072309936 558778682 /nfs/dbraw/zinc/77/86/82/558778682.db2.gz QBOGZTUNCWTQPM-UHFFFAOYSA-N 0 0 412.877 5.025 50 0 HKAARN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl ZINC000072310289 558777078 /nfs/dbraw/zinc/77/70/78/558777078.db2.gz RHZGKZDHJGECGX-HUUCEWRRSA-N 0 0 421.372 5.038 50 0 HKAARN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl ZINC000072310290 558777081 /nfs/dbraw/zinc/77/70/81/558777081.db2.gz RHZGKZDHJGECGX-LSDHHAIUSA-N 0 0 421.372 5.038 50 0 HKAARN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl ZINC000072310291 558777088 /nfs/dbraw/zinc/77/70/88/558777088.db2.gz RHZGKZDHJGECGX-CABCVRRESA-N 0 0 421.372 5.038 50 0 HKAARN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl ZINC000072310292 558777041 /nfs/dbraw/zinc/77/70/41/558777041.db2.gz RHZGKZDHJGECGX-GJZGRUSLSA-N 0 0 421.372 5.038 50 0 HKAARN Cc1ccc(CCC(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)o1 ZINC000072310744 558777843 /nfs/dbraw/zinc/77/78/43/558777843.db2.gz BIQYTHQYMCVUOU-FQEVSTJZSA-N 0 0 406.404 5.170 50 0 HKAARN Cc1ccc(CCC(=O)O[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)o1 ZINC000072310745 558777863 /nfs/dbraw/zinc/77/78/63/558777863.db2.gz BIQYTHQYMCVUOU-HXUWFJFHSA-N 0 0 406.404 5.170 50 0 HKAARN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310797 558777901 /nfs/dbraw/zinc/77/79/01/558777901.db2.gz MLLDFJKOMKIRPC-HWPZZCPQSA-N 0 0 422.369 5.081 50 0 HKAARN Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310798 558777887 /nfs/dbraw/zinc/77/78/87/558777887.db2.gz MLLDFJKOMKIRPC-QFYYESIMSA-N 0 0 422.369 5.081 50 0 HKAARN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310799 558777909 /nfs/dbraw/zinc/77/79/09/558777909.db2.gz MLLDFJKOMKIRPC-QLJPJBMISA-N 0 0 422.369 5.081 50 0 HKAARN Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000072310800 558777839 /nfs/dbraw/zinc/77/78/39/558777839.db2.gz MLLDFJKOMKIRPC-MGPLVRAMSA-N 0 0 422.369 5.081 50 0 HKAARN Fc1ccc(-c2csc3ncnc(NCCc4nnc(-c5ccccc5)o4)c23)cc1 ZINC000072310941 558778215 /nfs/dbraw/zinc/77/82/15/558778215.db2.gz FGEMNVUVNZRNJM-UHFFFAOYSA-N 0 0 417.469 5.202 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N[C@H](COC)c2ccc(C)o2)n1 ZINC000072310986 558778170 /nfs/dbraw/zinc/77/81/70/558778170.db2.gz KASFOOZNXRAWPN-QGZVFWFLSA-N 0 0 409.511 5.206 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N[C@@H](COC)c2ccc(C)o2)n1 ZINC000072310987 558778218 /nfs/dbraw/zinc/77/82/18/558778218.db2.gz KASFOOZNXRAWPN-KRWDZBQOSA-N 0 0 409.511 5.206 50 0 HKAARN O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ncoc1-c1cccs1 ZINC000072311541 558787581 /nfs/dbraw/zinc/78/75/81/558787581.db2.gz MMNBSXPZDMQCOK-UHFFFAOYSA-N 0 0 405.357 5.329 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000072311620 558788490 /nfs/dbraw/zinc/78/84/90/558788490.db2.gz YSUARZKTCLNTNO-VWLOTQADSA-N 0 0 411.505 5.201 50 0 HKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000072311621 558788519 /nfs/dbraw/zinc/78/85/19/558788519.db2.gz YSUARZKTCLNTNO-RUZDIDTESA-N 0 0 411.505 5.201 50 0 HKAARN O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(CNc2ccccc2)cc1 ZINC000072311623 558788505 /nfs/dbraw/zinc/78/85/05/558788505.db2.gz MHUVDWNRZDIOGD-UHFFFAOYSA-N 0 0 411.505 5.915 50 0 HKAARN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072313402 558840161 /nfs/dbraw/zinc/84/01/61/558840161.db2.gz BAITXEHXPVYVCH-GOSISDBHSA-N 0 0 401.384 5.179 50 0 HKAARN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072313403 558840201 /nfs/dbraw/zinc/84/02/01/558840201.db2.gz BAITXEHXPVYVCH-SFHVURJKSA-N 0 0 401.384 5.179 50 0 HKAARN CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1csc(-c2ccoc2)n1 ZINC000072314161 558842173 /nfs/dbraw/zinc/84/21/73/558842173.db2.gz WKRYFVGIJXSVQJ-LJQANCHMSA-N 0 0 407.495 5.150 50 0 HKAARN CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1csc(-c2ccoc2)n1 ZINC000072314162 558842128 /nfs/dbraw/zinc/84/21/28/558842128.db2.gz WKRYFVGIJXSVQJ-IBGZPJMESA-N 0 0 407.495 5.150 50 0 HKAARN Cc1csc(-c2ccc(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)cc2)n1 ZINC000072314319 526302482 /nfs/dbraw/zinc/30/24/82/526302482.db2.gz HIHFLANSXHOMMZ-OAQYLSRUSA-N 0 0 407.539 5.022 50 0 HKAARN Cc1csc(-c2ccc(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)cc2)n1 ZINC000072314320 558844272 /nfs/dbraw/zinc/84/42/72/558844272.db2.gz HIHFLANSXHOMMZ-NRFANRHFSA-N 0 0 407.539 5.022 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc21 ZINC000072314566 558847161 /nfs/dbraw/zinc/84/71/61/558847161.db2.gz VSJNAZFDHLMHDM-QFIPXVFZSA-N 0 0 409.518 5.178 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314567 558847061 /nfs/dbraw/zinc/84/70/61/558847061.db2.gz VSJNAZFDHLMHDM-JOCHJYFZSA-N 0 0 409.518 5.178 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccc2nccnc21 ZINC000072314570 558847175 /nfs/dbraw/zinc/84/71/75/558847175.db2.gz RHBCZGVUIUCFBT-IBGZPJMESA-N 0 0 415.547 5.239 50 0 HKAARN S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccc2nccnc21 ZINC000072314571 558847470 /nfs/dbraw/zinc/84/74/70/558847470.db2.gz RHBCZGVUIUCFBT-LJQANCHMSA-N 0 0 415.547 5.239 50 0 HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 ZINC000072324819 558861819 /nfs/dbraw/zinc/86/18/19/558861819.db2.gz ZESYYKVHASWWGJ-UZUQRXQVSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 ZINC000072324820 558861823 /nfs/dbraw/zinc/86/18/23/558861823.db2.gz ZESYYKVHASWWGJ-GAJHUEQPSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 ZINC000072324822 558861783 /nfs/dbraw/zinc/86/17/83/558861783.db2.gz ZESYYKVHASWWGJ-HXOBKFHXSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 ZINC000072324824 558861788 /nfs/dbraw/zinc/86/17/88/558861788.db2.gz ZESYYKVHASWWGJ-SBUREZEXSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 ZINC000072324847 558861739 /nfs/dbraw/zinc/86/17/39/558861739.db2.gz LGCOGIPCKJPRBP-UZUQRXQVSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 ZINC000072324848 558861817 /nfs/dbraw/zinc/86/18/17/558861817.db2.gz LGCOGIPCKJPRBP-GAJHUEQPSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 ZINC000072324850 522109679 /nfs/dbraw/zinc/10/96/79/522109679.db2.gz LGCOGIPCKJPRBP-HXOBKFHXSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 ZINC000072324851 558861821 /nfs/dbraw/zinc/86/18/21/558861821.db2.gz LGCOGIPCKJPRBP-SBUREZEXSA-N 0 0 415.537 5.457 50 0 biogenic HKAARN Cc1ccccc1CSCC(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000072328181 525181432 /nfs/dbraw/zinc/18/14/32/525181432.db2.gz VQYDHIVEBMEKRC-UHFFFAOYSA-N 0 0 414.423 5.585 50 0 HKAARN CCN(Cc1ccccc1)c1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21 ZINC000072328384 558863782 /nfs/dbraw/zinc/86/37/82/558863782.db2.gz ITZZPGOZWHFJDZ-UHFFFAOYSA-N 0 0 407.945 5.541 50 0 HKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CC=C(c2ccccc2)CC1 ZINC000072328431 558863752 /nfs/dbraw/zinc/86/37/52/558863752.db2.gz ANTNEDOKYWEXDP-UHFFFAOYSA-N 0 0 419.956 5.664 50 0 HKAARN CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccccc32)cc1 ZINC000072328446 558863818 /nfs/dbraw/zinc/86/38/18/558863818.db2.gz ZABBHRWVHNJTBS-UHFFFAOYSA-N 0 0 403.526 5.262 50 0 HKAARN O=C(c1cnc2ccccc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000072328453 558863878 /nfs/dbraw/zinc/86/38/78/558863878.db2.gz WRUJCWUGZFRXHP-UHFFFAOYSA-N 0 0 413.443 5.492 50 0 HKAARN O=C(c1cnc2ccccc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000072328454 558863835 /nfs/dbraw/zinc/86/38/35/558863835.db2.gz QLDCMLWKMYMQAF-UHFFFAOYSA-N 0 0 413.443 5.492 50 0 HKAARN CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000072328458 558863757 /nfs/dbraw/zinc/86/37/57/558863757.db2.gz ONQAHEMVQFNJCV-UHFFFAOYSA-N 0 0 407.945 5.689 50 0 HKAARN COc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21 ZINC000072328459 558863840 /nfs/dbraw/zinc/86/38/40/558863840.db2.gz YSSWEOKBTOZLPS-UHFFFAOYSA-N 0 0 409.917 5.135 50 0 HKAARN COc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c1 ZINC000072328460 558863884 /nfs/dbraw/zinc/86/38/84/558863884.db2.gz RVHFOORYMMFIRH-UHFFFAOYSA-N 0 0 409.917 5.135 50 0 HKAARN COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000072328461 558863744 /nfs/dbraw/zinc/86/37/44/558863744.db2.gz YEURTADAUJDDHS-UHFFFAOYSA-N 0 0 409.917 5.135 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1F)N1CCCCC1 ZINC000072328467 558863789 /nfs/dbraw/zinc/86/37/89/558863789.db2.gz JMJYQJIDFXYTKT-UHFFFAOYSA-N 0 0 415.871 5.405 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 ZINC000072328468 558863846 /nfs/dbraw/zinc/86/38/46/558863846.db2.gz TYVIOMSYXYFASE-UHFFFAOYSA-N 0 0 415.871 5.405 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000072328469 558863796 /nfs/dbraw/zinc/86/37/96/558863796.db2.gz VQVRVXMAJGDROF-UHFFFAOYSA-N 0 0 414.336 5.780 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Cl)c1)N1CCCCC1 ZINC000072328470 558863732 /nfs/dbraw/zinc/86/37/32/558863732.db2.gz GWJYJLVXHCDOQF-UHFFFAOYSA-N 0 0 414.336 5.780 50 0 HKAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000072328471 558863770 /nfs/dbraw/zinc/86/37/70/558863770.db2.gz HMCHTOCUYHMVJC-UHFFFAOYSA-N 0 0 414.336 5.780 50 0 HKAARN C[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000072328482 558863873 /nfs/dbraw/zinc/86/38/73/558863873.db2.gz ODTMFWHDWKGVBF-HNNXBMFYSA-N 0 0 411.908 5.827 50 0 HKAARN C[C@@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000072328483 525695161 /nfs/dbraw/zinc/69/51/61/525695161.db2.gz ODTMFWHDWKGVBF-OAHLLOKOSA-N 0 0 411.908 5.827 50 0 HKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1F ZINC000072328529 559176721 /nfs/dbraw/zinc/17/67/21/559176721.db2.gz BTNYUVZQVBXXAG-UHFFFAOYSA-N 0 0 403.860 5.261 50 0 HKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl ZINC000072328535 559176683 /nfs/dbraw/zinc/17/66/83/559176683.db2.gz XXOLFNCVWAWARX-UHFFFAOYSA-N 0 0 420.315 5.775 50 0 HKAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)c(F)c4)nccn3n2)cc1C ZINC000072328551 559176767 /nfs/dbraw/zinc/17/67/67/559176767.db2.gz CCFGAPQVIWOEFA-UHFFFAOYSA-N 0 0 424.476 5.022 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000072328705 558864236 /nfs/dbraw/zinc/86/42/36/558864236.db2.gz VSJPMOFVESORQR-UHFFFAOYSA-N 0 0 423.944 5.224 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CC=C(c3ccccc3)CC2)cc1Cl ZINC000072328709 558864324 /nfs/dbraw/zinc/86/43/24/558864324.db2.gz NENHPYGDAYLIPU-UHFFFAOYSA-N 0 0 407.901 5.058 50 0 HKAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000072328998 558864427 /nfs/dbraw/zinc/86/44/27/558864427.db2.gz UJMUDCLOGCWSJA-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000072328999 558864472 /nfs/dbraw/zinc/86/44/72/558864472.db2.gz JYLJTMZSAZSNPN-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000072329000 520849122 /nfs/dbraw/zinc/84/91/22/520849122.db2.gz HFUFXGCDYJKWGY-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2C(F)(F)F)cc1Cl ZINC000072329333 520803455 /nfs/dbraw/zinc/80/34/55/520803455.db2.gz ZMZAKWGSBWSOLC-UHFFFAOYSA-N 0 0 423.822 5.078 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000072329334 558864647 /nfs/dbraw/zinc/86/46/47/558864647.db2.gz WDDZZKNKADQIPJ-UHFFFAOYSA-N 0 0 423.822 5.078 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000072329335 558864727 /nfs/dbraw/zinc/86/47/27/558864727.db2.gz NLEFVCLIJKUALV-UHFFFAOYSA-N 0 0 423.822 5.078 50 0 HKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2c1 ZINC000072329798 558934560 /nfs/dbraw/zinc/93/45/60/558934560.db2.gz AHMFEOKEFNWJSH-UHFFFAOYSA-N 0 0 402.686 5.036 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2ccc(Cl)cc2c1Cl ZINC000072329799 527271742 /nfs/dbraw/zinc/27/17/42/527271742.db2.gz YPVBDKQONWYFOQ-UHFFFAOYSA-N 0 0 407.105 5.681 50 0 HKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl ZINC000072329801 558934520 /nfs/dbraw/zinc/93/45/20/558934520.db2.gz BEZPXHSZFVRNIM-UHFFFAOYSA-N 0 0 407.105 5.681 50 0 HKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2ccc(Cl)cc2c1Cl ZINC000072329803 527265228 /nfs/dbraw/zinc/26/52/28/527265228.db2.gz IPUMKPHWUAGITG-UHFFFAOYSA-N 0 0 407.105 5.681 50 0 HKAARN COc1ccc2ncc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(Cl)c2c1 ZINC000072329805 558934562 /nfs/dbraw/zinc/93/45/62/558934562.db2.gz XXJNVZHIFDPAID-UHFFFAOYSA-N 0 0 402.686 5.036 50 0 HKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1Cl ZINC000072329811 558865233 /nfs/dbraw/zinc/86/52/33/558865233.db2.gz DSDJAAIBRGGEPJ-UHFFFAOYSA-N 0 0 402.686 5.036 50 0 HKAARN COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1Cl ZINC000072329812 558865258 /nfs/dbraw/zinc/86/52/58/558865258.db2.gz DNPRDDJMZVAMAK-UHFFFAOYSA-N 0 0 402.686 5.036 50 0 HKAARN O=C(c1ccc(F)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072331305 558867369 /nfs/dbraw/zinc/86/73/69/558867369.db2.gz NHMAGJDKAITOGW-UHFFFAOYSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1cc(F)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072331373 558868058 /nfs/dbraw/zinc/86/80/58/558868058.db2.gz BYGZNSRXKNYVES-UHFFFAOYSA-N 0 0 408.904 5.027 50 0 HKAARN O=C(c1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072331387 558868005 /nfs/dbraw/zinc/86/80/05/558868005.db2.gz ZZJCZYWDOFQNPH-UHFFFAOYSA-N 0 0 408.904 5.027 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)[nH]n2)cc1 ZINC000072331566 559178167 /nfs/dbraw/zinc/17/81/67/559178167.db2.gz VBJINYLGOKMOKY-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000072331567 558868268 /nfs/dbraw/zinc/86/82/68/558868268.db2.gz NIFMRQSOYARVPL-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)[nH]n2)cc1 ZINC000072331568 558868176 /nfs/dbraw/zinc/86/81/76/558868176.db2.gz REGHSRKLZWZQOZ-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C(F)(F)F)[nH]n1 ZINC000072331598 558868226 /nfs/dbraw/zinc/86/82/26/558868226.db2.gz ZTNPEOCXTBLNMK-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000072331599 558868223 /nfs/dbraw/zinc/86/82/23/558868223.db2.gz QBNXQURPLDFCMP-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000072331600 520909281 /nfs/dbraw/zinc/90/92/81/520909281.db2.gz RCZBIAJMMWNZGT-UHFFFAOYSA-N 0 0 417.431 5.204 50 0 HKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000072331937 558868403 /nfs/dbraw/zinc/86/84/03/558868403.db2.gz YFKYYHFONPBHEK-UHFFFAOYSA-N 0 0 416.428 5.169 50 0 HKAARN CCCCc1ccc(NC(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)cc1 ZINC000072331980 558868442 /nfs/dbraw/zinc/86/84/42/558868442.db2.gz JQDLFUZEHRNHLI-UHFFFAOYSA-N 0 0 404.539 5.493 50 0 HKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cc(Cl)cc(Cl)c3)c2c1 ZINC000072331988 558868439 /nfs/dbraw/zinc/86/84/39/558868439.db2.gz SUOKXMBESXGPTP-UHFFFAOYSA-N 0 0 417.321 5.457 50 0 HKAARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccs2)C1C(=O)OCc1ccccc1 ZINC000072332451 558892652 /nfs/dbraw/zinc/89/26/52/558892652.db2.gz VQIQLVHPFRSPBO-NRFANRHFSA-N 0 0 401.491 5.130 50 0 HKAARN CC1=Nc2nc3ccccc3n2[C@H](c2cccs2)C1C(=O)OCc1ccccc1 ZINC000072332452 558892600 /nfs/dbraw/zinc/89/26/00/558892600.db2.gz VQIQLVHPFRSPBO-OAQYLSRUSA-N 0 0 401.491 5.130 50 0 HKAARN CC(C)(C)c1ccc(C(=O)NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)cc1 ZINC000072332496 558892696 /nfs/dbraw/zinc/89/26/96/558892696.db2.gz BLIUGPBOXAZYJN-SGEDCAFJSA-N 0 0 424.500 5.533 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000072332589 526240591 /nfs/dbraw/zinc/24/05/91/526240591.db2.gz RAHRZNVFVOYGDE-LBNVMWSVSA-N 0 0 418.496 5.901 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000072332590 558892575 /nfs/dbraw/zinc/89/25/75/558892575.db2.gz RAHRZNVFVOYGDE-LSYYVWMOSA-N 0 0 418.496 5.901 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Cl ZINC000072332617 526962621 /nfs/dbraw/zinc/96/26/21/526962621.db2.gz GTFQQYYEOOREKG-PXNSSMCTSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Cl ZINC000072332618 558892899 /nfs/dbraw/zinc/89/28/99/558892899.db2.gz GTFQQYYEOOREKG-XLIONFOSSA-N 0 0 401.318 6.297 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1Cl ZINC000072332643 558892839 /nfs/dbraw/zinc/89/28/39/558892839.db2.gz YBEJGCJYDDAMPR-WIOPSUGQSA-N 0 0 418.924 6.289 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1Cl ZINC000072332644 520932292 /nfs/dbraw/zinc/93/22/92/520932292.db2.gz YBEJGCJYDDAMPR-RCZVLFRGSA-N 0 0 418.924 6.289 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1Cl ZINC000072332657 558892886 /nfs/dbraw/zinc/89/28/86/558892886.db2.gz QDHRKMZQZDBMLG-XUZZJYLKSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1Cl ZINC000072332658 558892807 /nfs/dbraw/zinc/89/28/07/558892807.db2.gz QDHRKMZQZDBMLG-ZJSXRUAMSA-N 0 0 422.887 6.120 50 0 HKAARN Fc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000072332659 558892906 /nfs/dbraw/zinc/89/29/06/558892906.db2.gz ZFYRVRUVNSHWPN-UNMCSNQZSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000072332660 558892901 /nfs/dbraw/zinc/89/29/01/558892901.db2.gz ZFYRVRUVNSHWPN-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Brc1ccccc1-c1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000072333533 518223785 /nfs/dbraw/zinc/22/37/85/518223785.db2.gz SURJTNXKLSREOF-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN Brc1cccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000072333534 558891885 /nfs/dbraw/zinc/89/18/85/558891885.db2.gz DHANRIGDSZNQSJ-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN Brc1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333535 558891844 /nfs/dbraw/zinc/89/18/44/558891844.db2.gz XHYYPWYQAPBPOW-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN Clc1ccc(Cl)c(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000072333542 558891829 /nfs/dbraw/zinc/89/18/29/558891829.db2.gz VIWHWEPBSIUCHZ-UHFFFAOYSA-N 0 0 405.354 5.627 50 0 HKAARN Clc1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1Cl ZINC000072333543 558891873 /nfs/dbraw/zinc/89/18/73/558891873.db2.gz JTFGXLPAWJMZQJ-UHFFFAOYSA-N 0 0 405.354 5.627 50 0 HKAARN c1cc2c(cc1Cc1nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s1)CCCC2 ZINC000072333563 526439408 /nfs/dbraw/zinc/43/94/08/526439408.db2.gz WEVARZQRVMNNBC-UHFFFAOYSA-N 0 0 404.583 5.123 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000072333662 526416509 /nfs/dbraw/zinc/41/65/09/526416509.db2.gz SKLIOORIKRLJSM-UNMCSNQZSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000072333663 558892092 /nfs/dbraw/zinc/89/20/92/558892092.db2.gz SKLIOORIKRLJSM-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN Cc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1Cl ZINC000072334082 558892221 /nfs/dbraw/zinc/89/22/21/558892221.db2.gz SESSKXNXRKKFIS-UHFFFAOYSA-N 0 0 422.355 7.646 50 0 HKAARN CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(C)cc4)c(C)s3)c(C)c21 ZINC000072370083 558919035 /nfs/dbraw/zinc/91/90/35/558919035.db2.gz SEXHGFRDBSNLQV-UHFFFAOYSA-N 0 0 404.535 5.747 50 0 HKAARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072400325 527044876 /nfs/dbraw/zinc/04/48/76/527044876.db2.gz KSBJQSWBCFFOFW-SXGWCWSVSA-N 0 0 415.396 5.265 50 0 HKAARN COc1cccc(NC2=NC(=O)SC2=Cc2cccc(OCc3ccccn3)c2)c1 ZINC000072400599 526206769 /nfs/dbraw/zinc/20/67/69/526206769.db2.gz IYTCTFSMKMUGKU-BKUYFWCQSA-N 0 0 417.490 5.388 50 0 HKAARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2ccc3nccnc3c2)S1 ZINC000072400844 527044599 /nfs/dbraw/zinc/04/45/99/527044599.db2.gz YBSJFRBMCOIRQP-SXGWCWSVSA-N 0 0 400.385 5.367 50 0 HKAARN O=C1N=C(Nc2ccc(F)c(F)c2)C(=Cc2cccc(Oc3ncccn3)c2)S1 ZINC000072400945 527044544 /nfs/dbraw/zinc/04/45/44/527044544.db2.gz BCMSXLYJFDRLPM-YVLHZVERSA-N 0 0 410.405 5.265 50 0 HKAARN O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)C(=Cc2ccc3nccnc3c2)S1 ZINC000072400989 558935425 /nfs/dbraw/zinc/93/54/25/558935425.db2.gz MRJWPWHKMZRIRU-YBEGLDIGSA-N 0 0 416.384 5.247 50 0 HKAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000072401058 558935508 /nfs/dbraw/zinc/93/55/08/558935508.db2.gz DCDNNLWKTUBSTL-QFIPXVFZSA-N 0 0 417.553 5.214 50 0 HKAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000072401059 558935515 /nfs/dbraw/zinc/93/55/15/558935515.db2.gz DCDNNLWKTUBSTL-JOCHJYFZSA-N 0 0 417.553 5.214 50 0 HKAARN COc1cccc(NC2=NC(=O)SC2=Cc2cccc(OCc3cccnc3)c2)c1 ZINC000072401150 558935703 /nfs/dbraw/zinc/93/57/03/558935703.db2.gz ZTPJLOKKEJSNSE-MTJSOVHGSA-N 0 0 417.490 5.388 50 0 HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 ZINC000072401227 558935716 /nfs/dbraw/zinc/93/57/16/558935716.db2.gz UDQFZDDNHXYBAZ-UZUQRXQVSA-N 0 0 418.537 5.179 50 0 HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 ZINC000072401228 523947397 /nfs/dbraw/zinc/94/73/97/523947397.db2.gz UDQFZDDNHXYBAZ-GAJHUEQPSA-N 0 0 418.537 5.179 50 0 HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 ZINC000072401229 559189414 /nfs/dbraw/zinc/18/94/14/559189414.db2.gz UDQFZDDNHXYBAZ-HXOBKFHXSA-N 0 0 418.537 5.179 50 0 HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 ZINC000072401230 558935680 /nfs/dbraw/zinc/93/56/80/558935680.db2.gz UDQFZDDNHXYBAZ-SBUREZEXSA-N 0 0 418.537 5.179 50 0 HKAARN COc1cccc(NC2=NC(=O)SC2=Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000072401485 558936209 /nfs/dbraw/zinc/93/62/09/558936209.db2.gz VMRQLZWDPVAFJL-BKUYFWCQSA-N 0 0 417.490 5.388 50 0 HKAARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)C(=Cc2cccc3nccnc23)S1 ZINC000072401509 558936169 /nfs/dbraw/zinc/93/61/69/558936169.db2.gz GXQMCINLXPACDY-DHDCSXOGSA-N 0 0 400.385 5.367 50 0 HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 ZINC000072401625 558936348 /nfs/dbraw/zinc/93/63/48/558936348.db2.gz QGKYOVWVBVELJU-WIYYLYMNSA-N 0 0 405.542 5.070 50 0 HKAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 ZINC000072401626 558936410 /nfs/dbraw/zinc/93/64/10/558936410.db2.gz QGKYOVWVBVELJU-GHTZIAJQSA-N 0 0 405.542 5.070 50 0 HKAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCCC2 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ZINC000072405395 524468422 /nfs/dbraw/zinc/46/84/22/524468422.db2.gz UDLNXFOOMFWHKO-MRXNPFEDSA-N 0 0 424.324 5.161 50 0 HKAARN COc1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc4[nH]ccc43)nc2)cc1OC ZINC000072405763 559193128 /nfs/dbraw/zinc/19/31/28/559193128.db2.gz WDFFOJRRBNROBO-JXMROGBWSA-N 0 0 415.449 5.024 50 0 HKAARN Cc1nn(C(C)C)c(C)c1-c1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000072405963 558985196 /nfs/dbraw/zinc/98/51/96/558985196.db2.gz PLIYTPNDMJONDT-UHFFFAOYSA-N 0 0 407.330 5.221 50 0 HKAARN COc1ccc2oc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc54)nc3)c(C)c2c1 ZINC000072406214 525685125 /nfs/dbraw/zinc/68/51/25/525685125.db2.gz DLVUCUFVNZUYLX-UHFFFAOYSA-N 0 0 413.433 5.671 50 0 HKAARN COc1ccc(OC)c(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)c1 ZINC000072406335 558987160 /nfs/dbraw/zinc/98/71/60/558987160.db2.gz JYBMIUOMIIGVDX-INIZCTEOSA-N 0 0 424.324 5.161 50 0 HKAARN COc1ccc(OC)c(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)c1 ZINC000072406336 524846979 /nfs/dbraw/zinc/84/69/79/524846979.db2.gz JYBMIUOMIIGVDX-MRXNPFEDSA-N 0 0 424.324 5.161 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC000072406458 558987139 /nfs/dbraw/zinc/98/71/39/558987139.db2.gz JHIZISFZVDROAI-SFHVURJKSA-N 0 0 421.324 5.102 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)cc1 ZINC000072406459 519721647 /nfs/dbraw/zinc/72/16/47/519721647.db2.gz JHIZISFZVDROAI-GOSISDBHSA-N 0 0 421.324 5.102 50 0 HKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C)Cc2ccon2)c1 ZINC000072407355 558977118 /nfs/dbraw/zinc/97/71/18/558977118.db2.gz BATSTTIDIITBML-UHFFFAOYSA-N 0 0 405.523 5.252 50 0 HKAARN COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C)Cc2ccno2)c1 ZINC000072410922 558977706 /nfs/dbraw/zinc/97/77/06/558977706.db2.gz MYDXIVXZVOAJKM-UHFFFAOYSA-N 0 0 405.523 5.252 50 0 HKAARN CCC[C@@H](CNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000072427524 558988591 /nfs/dbraw/zinc/98/85/91/558988591.db2.gz NLSUOEVDVZOXHE-QFIPXVFZSA-N 0 0 407.941 6.233 50 0 HKAARN CCC[C@H](CNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000072427525 558988564 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COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2CN(C)Cc2ccno2)c1 ZINC000072479578 558984074 /nfs/dbraw/zinc/98/40/74/558984074.db2.gz MQXKQSYXXTXLGX-UHFFFAOYSA-N 0 0 423.900 5.192 50 0 HKAARN COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 ZINC000073274621 558986092 /nfs/dbraw/zinc/98/60/92/558986092.db2.gz QHVSQUYCVUHYKT-UHFFFAOYSA-N 0 0 416.864 5.316 50 0 in-vitro HKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2)n1Cc1ccccc1 ZINC000073686193 527455048 /nfs/dbraw/zinc/45/50/48/527455048.db2.gz QZHZIWYOEGEXQK-UHFFFAOYSA-N 0 0 423.541 5.732 50 0 HKAARN Cc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2ccccc2)cc1 ZINC000073686354 568880002 /nfs/dbraw/zinc/88/00/02/568880002.db2.gz YVOJMHLVYDMXNH-UHFFFAOYSA-N 0 0 423.541 5.982 50 0 HKAARN Cc1ccccc1-n1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccccc1 ZINC000073686398 568880016 /nfs/dbraw/zinc/88/00/16/568880016.db2.gz OERFVSWBDMORJP-UHFFFAOYSA-N 0 0 423.541 5.982 50 0 HKAARN Cc1cccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCc2ccccc2)c1 ZINC000073686441 568880053 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O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC(OCc2ccccc2)CC1 ZINC000076922229 558997992 /nfs/dbraw/zinc/99/79/92/558997992.db2.gz MORSOFJUYQTOJB-UHFFFAOYSA-N 0 0 418.537 5.697 50 0 HKAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000076941130 523558620 /nfs/dbraw/zinc/55/86/20/523558620.db2.gz ULXGHZHMDSCTOI-UHFFFAOYSA-N 0 0 422.916 5.677 50 0 HKAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000076949836 558998841 /nfs/dbraw/zinc/99/88/41/558998841.db2.gz KRLIWTAHTXECDB-UHFFFAOYSA-N 0 0 408.929 5.294 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000076989301 558998996 /nfs/dbraw/zinc/99/89/96/558998996.db2.gz SRUVCZIZUFQQRM-GOSISDBHSA-N 0 0 408.498 5.045 50 0 HKAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000076989309 527308804 /nfs/dbraw/zinc/30/88/04/527308804.db2.gz SRUVCZIZUFQQRM-SFHVURJKSA-N 0 0 408.498 5.045 50 0 HKAARN COC(=O)[C@@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CCNC(=O)OC(C)(C)C ZINC000077024484 558999146 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0 0 403.454 5.439 50 0 HKAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000078648536 569414613 /nfs/dbraw/zinc/41/46/13/569414613.db2.gz RAVUMXPMUFKXLO-HNNXBMFYSA-N 0 0 403.454 5.439 50 0 HKAARN C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078656532 569414588 /nfs/dbraw/zinc/41/45/88/569414588.db2.gz AEUAUSVFJXUDQE-NSHDSACASA-N 0 0 417.834 5.027 50 0 HKAARN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078656536 569414637 /nfs/dbraw/zinc/41/46/37/569414637.db2.gz AEUAUSVFJXUDQE-LLVKDONJSA-N 0 0 417.834 5.027 50 0 HKAARN Cc1nn(C)c2sc(C(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)cc12 ZINC000078721616 569419944 /nfs/dbraw/zinc/41/99/44/569419944.db2.gz YVEQJZWMEPSRAQ-UHFFFAOYSA-N 0 0 410.930 5.461 50 0 HKAARN Cc1csc(N(CCc2ccccc2)C(=O)c2cc3ccc(C)cc3nc2C)n1 ZINC000078732978 560540504 /nfs/dbraw/zinc/54/05/04/560540504.db2.gz ZPDDEAAEBIJMOH-UHFFFAOYSA-N 0 0 401.535 5.506 50 0 HKAARN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078732999 569420145 /nfs/dbraw/zinc/42/01/45/569420145.db2.gz HCTXIVATOSVGHO-HXUWFJFHSA-N 0 0 419.443 5.213 50 0 HKAARN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000078733003 569420178 /nfs/dbraw/zinc/42/01/78/569420178.db2.gz HCTXIVATOSVGHO-FQEVSTJZSA-N 0 0 419.443 5.213 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1C(F)(F)F ZINC000078743240 569420303 /nfs/dbraw/zinc/42/03/03/569420303.db2.gz RBMKNJCKSBUFJY-UHFFFAOYSA-N 0 0 414.811 5.803 50 0 HKAARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000078743449 569420261 /nfs/dbraw/zinc/42/02/61/569420261.db2.gz DBVDYQXHNCZLIV-UHFFFAOYSA-N 0 0 418.472 5.088 50 0 HKAARN Cc1nc(C2(NC(=O)c3ccccc3)CCCCC2)sc1C(=O)Nc1ccccc1 ZINC000078809101 569420504 /nfs/dbraw/zinc/42/05/04/569420504.db2.gz PEEZAFBVXFDMLL-UHFFFAOYSA-N 0 0 419.550 5.293 50 0 HKAARN CC[C@@H]1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000078813814 569420701 /nfs/dbraw/zinc/42/07/01/569420701.db2.gz NCKDKPRUYQQZQX-QGZVFWFLSA-N 0 0 402.523 5.036 50 0 HKAARN CC[C@H]1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000078813818 569420653 /nfs/dbraw/zinc/42/06/53/569420653.db2.gz NCKDKPRUYQQZQX-KRWDZBQOSA-N 0 0 402.523 5.036 50 0 HKAARN CC(C)n1c(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000078821392 569420650 /nfs/dbraw/zinc/42/06/50/569420650.db2.gz LXUNTYVXWIGNQC-OAHLLOKOSA-N 0 0 403.448 5.446 50 0 HKAARN CC(C)n1c(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000078821401 569420702 /nfs/dbraw/zinc/42/07/02/569420702.db2.gz LXUNTYVXWIGNQC-HNNXBMFYSA-N 0 0 403.448 5.446 50 0 HKAARN C[C@H](NCc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 ZINC000078823204 560540847 /nfs/dbraw/zinc/54/08/47/560540847.db2.gz WPJCAVPUKKYFFP-HNNXBMFYSA-N 0 0 408.552 5.091 50 0 HKAARN C[C@@H](NCc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 ZINC000078823216 569420732 /nfs/dbraw/zinc/42/07/32/569420732.db2.gz WPJCAVPUKKYFFP-OAHLLOKOSA-N 0 0 408.552 5.091 50 0 HKAARN CN(Cc1ccccc1NC(=O)c1cc2ccccc2o1)C(=O)c1cc2ccccc2o1 ZINC000078824260 569420759 /nfs/dbraw/zinc/42/07/59/569420759.db2.gz RJRPFKQTCQWMDO-UHFFFAOYSA-N 0 0 424.456 5.704 50 0 HKAARN C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000078868905 569420841 /nfs/dbraw/zinc/42/08/41/569420841.db2.gz KRSMKSCOABORPV-CQSZACIVSA-N 0 0 409.486 5.118 50 0 HKAARN C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000078868906 569420850 /nfs/dbraw/zinc/42/08/50/569420850.db2.gz KRSMKSCOABORPV-AWEZNQCLSA-N 0 0 409.486 5.118 50 0 HKAARN Cc1nc(C(C)C)sc1C(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 ZINC000078868992 569420942 /nfs/dbraw/zinc/42/09/42/569420942.db2.gz QBUGECJDLGOYCO-UHFFFAOYSA-N 0 0 419.550 5.159 50 0 HKAARN COc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)c(OC)c1 ZINC000078869783 569420966 /nfs/dbraw/zinc/42/09/66/569420966.db2.gz UQIWWTVCOSSQHD-UHFFFAOYSA-N 0 0 408.523 5.027 50 0 HKAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3Nc3ccc(C)cc3)cc2)co1 ZINC000078873628 560540513 /nfs/dbraw/zinc/54/05/13/560540513.db2.gz QJHLTLXKKHHIDQ-UHFFFAOYSA-N 0 0 419.506 5.503 50 0 HKAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc([S@](C)=O)c(F)c3)cs2)cc1 ZINC000078879245 569421396 /nfs/dbraw/zinc/42/13/96/569421396.db2.gz UIUZDMGDVUDFDY-HHHXNRCGSA-N 0 0 402.516 5.062 50 0 HKAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)cs2)cc1 ZINC000078879249 569421494 /nfs/dbraw/zinc/42/14/94/569421494.db2.gz UIUZDMGDVUDFDY-MHZLTWQESA-N 0 0 402.516 5.062 50 0 HKAARN CN(C(=O)c1ccccc1F)c1ccc(NC(=O)c2ccccc2F)cc1Cl ZINC000078899389 569421489 /nfs/dbraw/zinc/42/14/89/569421489.db2.gz LDFOOEFSBHJOIE-UHFFFAOYSA-N 0 0 400.812 5.147 50 0 HKAARN c1csc([C@H](Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)C2CC2)n1 ZINC000078903337 569421577 /nfs/dbraw/zinc/42/15/77/569421577.db2.gz VMHZJBFWJVFGBG-QGZVFWFLSA-N 0 0 420.567 5.047 50 0 HKAARN c1csc([C@@H](Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)C2CC2)n1 ZINC000078903342 560540609 /nfs/dbraw/zinc/54/06/09/560540609.db2.gz VMHZJBFWJVFGBG-KRWDZBQOSA-N 0 0 420.567 5.047 50 0 HKAARN CC(=O)c1c(C)cc(C)c(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)c1C ZINC000078921329 569421683 /nfs/dbraw/zinc/42/16/83/569421683.db2.gz VVVXBPZFUULPTA-UHFFFAOYSA-N 0 0 412.961 5.706 50 0 HKAARN C[C@H](Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2c(s1)CCCC2 ZINC000078931180 569421677 /nfs/dbraw/zinc/42/16/77/569421677.db2.gz IGTASZXEVPPHFH-NSHDSACASA-N 0 0 405.449 5.066 50 0 HKAARN C[C@@H](Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2c(s1)CCCC2 ZINC000078931184 569421707 /nfs/dbraw/zinc/42/17/07/569421707.db2.gz IGTASZXEVPPHFH-LLVKDONJSA-N 0 0 405.449 5.066 50 0 HKAARN O=[S@@]1CC[C@@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)C1 ZINC000078967893 569422266 /nfs/dbraw/zinc/42/22/66/569422266.db2.gz DFMKRJUPISCLJX-ASHKIFAZSA-N 0 0 411.577 5.020 50 0 HKAARN O=[S@@]1CC[C@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)C1 ZINC000078967899 569422290 /nfs/dbraw/zinc/42/22/90/569422290.db2.gz DFMKRJUPISCLJX-PWFNWSNSSA-N 0 0 411.577 5.020 50 0 HKAARN O=[S@]1CC[C@@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)C1 ZINC000078967906 569422275 /nfs/dbraw/zinc/42/22/75/569422275.db2.gz DFMKRJUPISCLJX-LOKFHWFJSA-N 0 0 411.577 5.020 50 0 HKAARN O=[S@]1CC[C@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)C1 ZINC000078967910 569422344 /nfs/dbraw/zinc/42/23/44/569422344.db2.gz DFMKRJUPISCLJX-PGGUUEOZSA-N 0 0 411.577 5.020 50 0 HKAARN Cc1nc2cc(C(=O)Nc3c(F)cccc3NC3CC3)ccc2n1-c1ccccc1 ZINC000078968583 569422257 /nfs/dbraw/zinc/42/22/57/569422257.db2.gz PNJHLIFBXZKPEJ-UHFFFAOYSA-N 0 0 400.457 5.300 50 0 HKAARN CC(C)c1ocnc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000078968727 560541160 /nfs/dbraw/zinc/54/11/60/560541160.db2.gz UCPFSQLRDLYCJA-UHFFFAOYSA-N 0 0 412.877 5.025 50 0 HKAARN Cc1ccc(-c2nnc([C@@H](C)Oc3ccc4c(c3)oc(=O)cc4C(F)(F)F)o2)cc1 ZINC000078991540 569423024 /nfs/dbraw/zinc/42/30/24/569423024.db2.gz RLFUFWHPQCOMFP-GFCCVEGCSA-N 0 0 416.355 5.310 50 0 HKAARN Cc1ccc(-c2nnc([C@H](C)Oc3ccc4c(c3)oc(=O)cc4C(F)(F)F)o2)cc1 ZINC000078991545 569423034 /nfs/dbraw/zinc/42/30/34/569423034.db2.gz RLFUFWHPQCOMFP-LBPRGKRZSA-N 0 0 416.355 5.310 50 0 HKAARN O=C(Nc1ccc(CNc2ccccc2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000078994883 569423169 /nfs/dbraw/zinc/42/31/69/569423169.db2.gz RXQXAPHHYYHGHZ-DEOSSOPVSA-N 0 0 402.494 5.109 50 0 HKAARN O=C(Nc1ccc(CNc2ccccc2)cc1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000078994887 569423137 /nfs/dbraw/zinc/42/31/37/569423137.db2.gz RXQXAPHHYYHGHZ-XMMPIXPASA-N 0 0 402.494 5.109 50 0 HKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000078996370 569423320 /nfs/dbraw/zinc/42/33/20/569423320.db2.gz YTLXGBAIIXURRU-UHFFFAOYSA-N 0 0 424.863 5.023 50 0 HKAARN CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2ccccc2OC(F)F)cs1 ZINC000078999378 569423375 /nfs/dbraw/zinc/42/33/75/569423375.db2.gz AWVJANWZWLRZGR-NRFANRHFSA-N 0 0 402.466 5.467 50 0 HKAARN CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2ccccc2OC(F)F)cs1 ZINC000078999385 569423397 /nfs/dbraw/zinc/42/33/97/569423397.db2.gz AWVJANWZWLRZGR-OAQYLSRUSA-N 0 0 402.466 5.467 50 0 HKAARN COc1cccc([C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 ZINC000079001632 569423569 /nfs/dbraw/zinc/42/35/69/569423569.db2.gz JITLJUNXUFWOIL-IBGZPJMESA-N 0 0 422.598 5.174 50 0 HKAARN COc1cccc([C@@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 ZINC000079001635 569423486 /nfs/dbraw/zinc/42/34/86/569423486.db2.gz JITLJUNXUFWOIL-LJQANCHMSA-N 0 0 422.598 5.174 50 0 HKAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000079015101 569423815 /nfs/dbraw/zinc/42/38/15/569423815.db2.gz RBQGAEWJPAIMFH-FQEVSTJZSA-N 0 0 413.518 5.173 50 0 HKAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000079015103 569423773 /nfs/dbraw/zinc/42/37/73/569423773.db2.gz RBQGAEWJPAIMFH-HXUWFJFHSA-N 0 0 413.518 5.173 50 0 HKAARN FC(F)(F)c1c2nnc(CC3CC3)n2ccc1N1CCC(c2ccccc2)CC1 ZINC000079017198 559151822 /nfs/dbraw/zinc/15/18/22/559151822.db2.gz BQAVZGJJQFJSMW-UHFFFAOYSA-N 0 0 400.448 5.085 50 0 in-vitro HKAARN CC(C)n1nccc1NC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000079017426 569424060 /nfs/dbraw/zinc/42/40/60/569424060.db2.gz LHDVRRBTAMMHDI-UHFFFAOYSA-N 0 0 420.300 5.009 50 0 HKAARN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSCc1ccccn1 ZINC000079019170 569424171 /nfs/dbraw/zinc/42/41/71/569424171.db2.gz PBNATMAKLAEIRD-ZDUSSCGKSA-N 0 0 421.353 5.066 50 0 HKAARN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSCc1ccccn1 ZINC000079019173 569424261 /nfs/dbraw/zinc/42/42/61/569424261.db2.gz PBNATMAKLAEIRD-CYBMUJFWSA-N 0 0 421.353 5.066 50 0 HKAARN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1noc2ccccc12 ZINC000079019186 569424212 /nfs/dbraw/zinc/42/42/12/569424212.db2.gz GXYRRYPLSISWJE-LBPRGKRZSA-N 0 0 415.280 5.122 50 0 HKAARN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1noc2ccccc12 ZINC000079019191 569424247 /nfs/dbraw/zinc/42/42/47/569424247.db2.gz GXYRRYPLSISWJE-GFCCVEGCSA-N 0 0 415.280 5.122 50 0 HKAARN CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000079019461 569424232 /nfs/dbraw/zinc/42/42/32/569424232.db2.gz XQBOTVUNDAIJLQ-LJQANCHMSA-N 0 0 410.518 5.697 50 0 HKAARN CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000079019465 569424251 /nfs/dbraw/zinc/42/42/51/569424251.db2.gz XQBOTVUNDAIJLQ-IBGZPJMESA-N 0 0 410.518 5.697 50 0 HKAARN Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000079019519 569424260 /nfs/dbraw/zinc/42/42/60/569424260.db2.gz LCQLMEZGWQSGOW-UHFFFAOYSA-N 0 0 416.525 5.219 50 0 HKAARN CC[C@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2 ZINC000079019564 569424241 /nfs/dbraw/zinc/42/42/41/569424241.db2.gz APEKQMTVOZFTSD-KRWDZBQOSA-N 0 0 413.591 5.312 50 0 HKAARN CC[C@@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2 ZINC000079019567 569424254 /nfs/dbraw/zinc/42/42/54/569424254.db2.gz APEKQMTVOZFTSD-QGZVFWFLSA-N 0 0 413.591 5.312 50 0 HKAARN COc1cc([C@@H](C)NC(=O)c2cccc(Oc3ccncc3)c2)ccc1OCC(C)C ZINC000079034174 569424991 /nfs/dbraw/zinc/42/49/91/569424991.db2.gz WBBKMPLNYWSNLJ-GOSISDBHSA-N 0 0 420.509 5.408 50 0 HKAARN COc1cc([C@H](C)NC(=O)c2cccc(Oc3ccncc3)c2)ccc1OCC(C)C ZINC000079034181 569425042 /nfs/dbraw/zinc/42/50/42/569425042.db2.gz WBBKMPLNYWSNLJ-SFHVURJKSA-N 0 0 420.509 5.408 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4C)cc3)o2)cc1 ZINC000079045112 569425175 /nfs/dbraw/zinc/42/51/75/569425175.db2.gz DMPCAZGOXBJOMC-MRXNPFEDSA-N 0 0 413.477 5.134 50 0 HKAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4C)cc3)o2)cc1 ZINC000079045117 569425133 /nfs/dbraw/zinc/42/51/33/569425133.db2.gz DMPCAZGOXBJOMC-INIZCTEOSA-N 0 0 413.477 5.134 50 0 HKAARN COc1cc(Nc2nc3cc(Cl)ccc3c(-c3ccccc3)n2)cc(OC)c1OC ZINC000079046850 569425331 /nfs/dbraw/zinc/42/53/31/569425331.db2.gz BYRHOLUVIVXOPF-UHFFFAOYSA-N 0 0 421.884 5.720 50 0 HKAARN O=C(c1ccc(Br)o1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccco1 ZINC000079046898 569425260 /nfs/dbraw/zinc/42/52/60/569425260.db2.gz CMSRODUIBCNDLV-AWEZNQCLSA-N 0 0 419.662 5.280 50 0 HKAARN O=C(c1ccc(Br)o1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccco1 ZINC000079046906 569425308 /nfs/dbraw/zinc/42/53/08/569425308.db2.gz CMSRODUIBCNDLV-CQSZACIVSA-N 0 0 419.662 5.280 50 0 HKAARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000079047213 569425373 /nfs/dbraw/zinc/42/53/73/569425373.db2.gz RSNFXEBXSNFVGG-FQEVSTJZSA-N 0 0 411.864 5.124 50 0 HKAARN CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000079047220 569425335 /nfs/dbraw/zinc/42/53/35/569425335.db2.gz RSNFXEBXSNFVGG-HXUWFJFHSA-N 0 0 411.864 5.124 50 0 HKAARN Cc1nc2ccc(N(C)Cc3nnc(-c4cccc(Br)c4)o3)cc2s1 ZINC000079051280 560541466 /nfs/dbraw/zinc/54/14/66/560541466.db2.gz CDGPOBPOIKWBQI-UHFFFAOYSA-N 0 0 415.316 5.054 50 0 HKAARN Cc1cccc(CN(Cc2ccc(OC(F)(F)F)cc2)Cc2cccc(C)n2)n1 ZINC000079052058 569425664 /nfs/dbraw/zinc/42/56/64/569425664.db2.gz WFGSNVVQXKLYQS-UHFFFAOYSA-N 0 0 401.432 5.194 50 0 HKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N(CCC(F)(F)F)CC1CC1 ZINC000079053714 569425837 /nfs/dbraw/zinc/42/58/37/569425837.db2.gz YHTZSZREWVTOAJ-UHFFFAOYSA-N 0 0 402.869 5.197 50 0 HKAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ncc(-c4ccc(F)cc4)o3)n2)c1 ZINC000079058851 560541552 /nfs/dbraw/zinc/54/15/52/560541552.db2.gz PXVYZYVGQLKUBF-NRFANRHFSA-N 0 0 418.472 5.217 50 0 HKAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ncc(-c4ccc(F)cc4)o3)n2)c1 ZINC000079058858 569426215 /nfs/dbraw/zinc/42/62/15/569426215.db2.gz PXVYZYVGQLKUBF-OAQYLSRUSA-N 0 0 418.472 5.217 50 0 HKAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ncc(-c4ccccc4)o3)n2)c1 ZINC000079058865 569426174 /nfs/dbraw/zinc/42/61/74/569426174.db2.gz MSLGZUQNIOTJRM-NRFANRHFSA-N 0 0 400.482 5.077 50 0 HKAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ncc(-c4ccccc4)o3)n2)c1 ZINC000079058872 569426164 /nfs/dbraw/zinc/42/61/64/569426164.db2.gz MSLGZUQNIOTJRM-OAQYLSRUSA-N 0 0 400.482 5.077 50 0 HKAARN Cc1ccc2c(c1)nc(-c1ccc(NC(=O)CN3CCCC3)cc1)cc2-c1ccccc1 ZINC000079060675 569426280 /nfs/dbraw/zinc/42/62/80/569426280.db2.gz ZLVBAVCWYKKQCU-UHFFFAOYSA-N 0 0 421.544 5.912 50 0 HKAARN COCCCN(C(=O)c1cc(C)oc1C)c1cccc(NC(=O)c2cc(C)oc2C)c1 ZINC000079061337 569426235 /nfs/dbraw/zinc/42/62/35/569426235.db2.gz RJPGVSAXZNCFGF-UHFFFAOYSA-N 0 0 424.497 5.042 50 0 HKAARN COc1ccc(-c2csc3ncnc(NCc4ncoc4-c4ccccc4)c23)cc1 ZINC000079061645 569426300 /nfs/dbraw/zinc/42/63/00/569426300.db2.gz SYTZYFUSSMHBKP-UHFFFAOYSA-N 0 0 414.490 5.634 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(N[C@@H](c2nnc3n2CCC3)C(C)C)n1 ZINC000079063653 569426383 /nfs/dbraw/zinc/42/63/83/569426383.db2.gz KAYSAWAQWVOZOA-LJQANCHMSA-N 0 0 404.543 5.014 50 0 HKAARN Cc1nc2sc(-c3ccccc3)cc2c(N[C@H](c2nnc3n2CCC3)C(C)C)n1 ZINC000079063661 569426454 /nfs/dbraw/zinc/42/64/54/569426454.db2.gz KAYSAWAQWVOZOA-IBGZPJMESA-N 0 0 404.543 5.014 50 0 HKAARN Cc1nc2scc(-c3ccccc3)c2c(N[C@@H](c2nnc3n2CCC3)C(C)C)n1 ZINC000079063667 569426395 /nfs/dbraw/zinc/42/63/95/569426395.db2.gz QGVSEBXHPIUXTP-LJQANCHMSA-N 0 0 404.543 5.014 50 0 HKAARN Cc1nc2scc(-c3ccccc3)c2c(N[C@H](c2nnc3n2CCC3)C(C)C)n1 ZINC000079063671 569426385 /nfs/dbraw/zinc/42/63/85/569426385.db2.gz QGVSEBXHPIUXTP-IBGZPJMESA-N 0 0 404.543 5.014 50 0 HKAARN O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000079066523 569426576 /nfs/dbraw/zinc/42/65/76/569426576.db2.gz ZXPDDHFMGLRFLX-JKSUJKDBSA-N 0 0 418.609 5.442 50 0 HKAARN O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000079066530 569426495 /nfs/dbraw/zinc/42/64/95/569426495.db2.gz ZXPDDHFMGLRFLX-HOTGVXAUSA-N 0 0 418.609 5.442 50 0 HKAARN O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000079066540 569426492 /nfs/dbraw/zinc/42/64/92/569426492.db2.gz ZXPDDHFMGLRFLX-HZPDHXFCSA-N 0 0 418.609 5.442 50 0 HKAARN O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000079066550 569426580 /nfs/dbraw/zinc/42/65/80/569426580.db2.gz ZXPDDHFMGLRFLX-CVEARBPZSA-N 0 0 418.609 5.442 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)o2)cc1 ZINC000079066651 569426585 /nfs/dbraw/zinc/42/65/85/569426585.db2.gz LBMGXKCVHZKJJW-LEWJYISDSA-N 0 0 408.542 5.113 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)o2)cc1 ZINC000079066658 569426529 /nfs/dbraw/zinc/42/65/29/569426529.db2.gz LBMGXKCVHZKJJW-SFTDATJTSA-N 0 0 408.542 5.113 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)o2)cc1 ZINC000079066666 569426623 /nfs/dbraw/zinc/42/66/23/569426623.db2.gz LBMGXKCVHZKJJW-NHCUHLMSSA-N 0 0 408.542 5.113 50 0 HKAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@H]3[C@H]3CCCCC3=O)o2)cc1 ZINC000079066674 569426534 /nfs/dbraw/zinc/42/65/34/569426534.db2.gz LBMGXKCVHZKJJW-RTWAWAEBSA-N 0 0 408.542 5.113 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000079067841 569426591 /nfs/dbraw/zinc/42/65/91/569426591.db2.gz UQKVFDIKWNJSLC-OAQYLSRUSA-N 0 0 423.875 5.710 50 0 HKAARN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000079067849 560541545 /nfs/dbraw/zinc/54/15/45/560541545.db2.gz UQKVFDIKWNJSLC-NRFANRHFSA-N 0 0 423.875 5.710 50 0 HKAARN Clc1ccc2c(c1)nc(N1CCN(c3ccccc3)CC1)nc2-c1ccccc1 ZINC000079068641 569426705 /nfs/dbraw/zinc/42/67/05/569426705.db2.gz VSGBOYOTLCUERS-UHFFFAOYSA-N 0 0 400.913 5.277 50 0 HKAARN COc1ccc(-c2ccc3c(Cl)nc(Cl)nc3n2)cc1COC(=O)C(C)(C)C ZINC000079069797 559015387 /nfs/dbraw/zinc/01/53/87/559015387.db2.gz JXJZCYZMHHQKEE-UHFFFAOYSA-N 0 0 420.296 5.097 50 0 HKAARN COc1ccc(NC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000079073053 569426799 /nfs/dbraw/zinc/42/67/99/569426799.db2.gz GLQCGCUEXDOKRQ-UHFFFAOYSA-N 0 0 406.269 5.287 50 0 HKAARN Cc1nc(CNC(=O)Nc2cccc(OC(F)F)c2)oc1-c1ccc(Cl)cc1 ZINC000079073082 569426833 /nfs/dbraw/zinc/42/68/33/569426833.db2.gz NFDJEWOJHXAZLC-UHFFFAOYSA-N 0 0 407.804 5.227 50 0 HKAARN Cc1nc(CNC(=O)Nc2c(C)cccc2OC(F)F)oc1-c1ccc(Cl)cc1 ZINC000079073158 569426782 /nfs/dbraw/zinc/42/67/82/569426782.db2.gz CXDYKENRNWKBEA-UHFFFAOYSA-N 0 0 421.831 5.535 50 0 HKAARN Cc1nc(CNC(=O)COc2ccc3ccccc3c2)oc1-c1ccc(Cl)cc1 ZINC000079074020 569426929 /nfs/dbraw/zinc/42/69/29/569426929.db2.gz HPLWAHIAJUVTFR-UHFFFAOYSA-N 0 0 406.869 5.152 50 0 HKAARN O=C(CSc1ccncc1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000079096637 569427294 /nfs/dbraw/zinc/42/72/94/569427294.db2.gz DDJVVZBIZFDVBG-UHFFFAOYSA-N 0 0 417.456 5.443 50 0 HKAARN CCn1nc(C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000079096641 569427231 /nfs/dbraw/zinc/42/72/31/569427231.db2.gz MBWBKIHNURWVJZ-UHFFFAOYSA-N 0 0 402.420 5.095 50 0 HKAARN CC(C)c1ccc(CSc2nnc(SCCNC(=O)C3CCCC3)s2)cc1 ZINC000079098658 569427321 /nfs/dbraw/zinc/42/73/21/569427321.db2.gz POWBJOXGYMPMEE-UHFFFAOYSA-N 0 0 421.657 5.352 50 0 HKAARN CCOc1ccccc1OC1CCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000079102166 569427497 /nfs/dbraw/zinc/42/74/97/569427497.db2.gz NTSJFNCWRACLEY-IBGZPJMESA-N 0 0 421.541 5.357 50 0 HKAARN CCOc1ccccc1OC1CCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000079102172 569427485 /nfs/dbraw/zinc/42/74/85/569427485.db2.gz NTSJFNCWRACLEY-LJQANCHMSA-N 0 0 421.541 5.357 50 0 HKAARN CCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F ZINC000079102285 569427463 /nfs/dbraw/zinc/42/74/63/569427463.db2.gz VZQORUVQPJFPSO-FQEVSTJZSA-N 0 0 414.452 5.219 50 0 HKAARN CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F ZINC000079102288 569427511 /nfs/dbraw/zinc/42/75/11/569427511.db2.gz VZQORUVQPJFPSO-HXUWFJFHSA-N 0 0 414.452 5.219 50 0 HKAARN CNC(=O)c1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)c1 ZINC000079102405 569427453 /nfs/dbraw/zinc/42/74/53/569427453.db2.gz HTNLLZRTWBRRLD-UHFFFAOYSA-N 0 0 403.482 5.088 50 0 HKAARN Cc1nc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000079103609 569427616 /nfs/dbraw/zinc/42/76/16/569427616.db2.gz GYXYZFBJCMFWHT-SFHVURJKSA-N 0 0 416.880 5.612 50 0 HKAARN Cc1nc(CNc2cc(F)ccc2OC[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 ZINC000079103611 569427599 /nfs/dbraw/zinc/42/75/99/569427599.db2.gz GYXYZFBJCMFWHT-GOSISDBHSA-N 0 0 416.880 5.612 50 0 HKAARN Cc1nc(COc2cccc(NC(=O)c3ccco3)c2)oc1-c1ccc(Cl)cc1 ZINC000079104345 569427577 /nfs/dbraw/zinc/42/75/77/569427577.db2.gz ZTCMFMHECJXMBR-UHFFFAOYSA-N 0 0 408.841 5.728 50 0 HKAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000079104954 569427631 /nfs/dbraw/zinc/42/76/31/569427631.db2.gz FKTIWDITOQRKSW-UHFFFAOYSA-N 0 0 421.501 5.231 50 0 HKAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1Cn1cccn1 ZINC000079104973 569427581 /nfs/dbraw/zinc/42/75/81/569427581.db2.gz IKIJYFTXVDCSFM-UHFFFAOYSA-N 0 0 421.501 5.231 50 0 HKAARN CCc1n[nH]c(=O)c(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1CC ZINC000079108476 569427902 /nfs/dbraw/zinc/42/79/02/569427902.db2.gz DYWXWANCZRNZBP-UHFFFAOYSA-N 0 0 410.543 5.082 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000079111208 569428128 /nfs/dbraw/zinc/42/81/28/569428128.db2.gz SGZCUHVAICYMJM-INIZCTEOSA-N 0 0 409.536 5.309 50 0 HKAARN O=C(Cc1csc(-c2cccs2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000079111210 569428064 /nfs/dbraw/zinc/42/80/64/569428064.db2.gz SGZCUHVAICYMJM-MRXNPFEDSA-N 0 0 409.536 5.309 50 0 HKAARN COc1cc(N[C@@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)cc(OC)c1 ZINC000079111414 569428082 /nfs/dbraw/zinc/42/80/82/569428082.db2.gz KYGCZRRHUOJMTA-CQSZACIVSA-N 0 0 424.328 5.119 50 0 HKAARN COc1cc(N[C@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)cc(OC)c1 ZINC000079111416 569428102 /nfs/dbraw/zinc/42/81/02/569428102.db2.gz KYGCZRRHUOJMTA-AWEZNQCLSA-N 0 0 424.328 5.119 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1cccc(C)c1 ZINC000079112129 569428229 /nfs/dbraw/zinc/42/82/29/569428229.db2.gz KNZJJBATWJJLOB-SANMLTNESA-N 0 0 419.528 6.216 50 0 HKAARN CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000079112130 569428257 /nfs/dbraw/zinc/42/82/57/569428257.db2.gz KNZJJBATWJJLOB-AREMUKBSSA-N 0 0 419.528 6.216 50 0 HKAARN Fc1cccc([C@@H]2CC(c3cccs3)=NN2C(=S)NCCc2ccccc2)c1 ZINC000079112541 569428261 /nfs/dbraw/zinc/42/82/61/569428261.db2.gz QFWRCGKBDZYOIO-FQEVSTJZSA-N 0 0 409.555 5.156 50 0 HKAARN Fc1cccc([C@H]2CC(c3cccs3)=NN2C(=S)NCCc2ccccc2)c1 ZINC000079112542 569428243 /nfs/dbraw/zinc/42/82/43/569428243.db2.gz QFWRCGKBDZYOIO-HXUWFJFHSA-N 0 0 409.555 5.156 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3sc(C)cc3OC(F)F)sc2C)cc1 ZINC000079309335 569429896 /nfs/dbraw/zinc/42/98/96/569429896.db2.gz VDCVSOGKBRSYKN-UHFFFAOYSA-N 0 0 410.467 5.351 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ncoc1[C@@H]1CCCO1 ZINC000079357575 560541713 /nfs/dbraw/zinc/54/17/13/560541713.db2.gz BTLBVQVTRBIBOH-INIZCTEOSA-N 0 0 400.887 5.583 50 0 HKAARN O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ncoc1[C@H]1CCCO1 ZINC000079357577 560541734 /nfs/dbraw/zinc/54/17/34/560541734.db2.gz BTLBVQVTRBIBOH-MRXNPFEDSA-N 0 0 400.887 5.583 50 0 HKAARN COc1ccc(-c2nc(NC(=O)c3c(C)[nH]c4ccccc43)sc2C)cc1OC ZINC000079361651 569430444 /nfs/dbraw/zinc/43/04/44/569430444.db2.gz RROKZBAKIZREFP-UHFFFAOYSA-N 0 0 407.495 5.178 50 0 HKAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)n1 ZINC000079474267 569431370 /nfs/dbraw/zinc/43/13/70/569431370.db2.gz GYVYKBZBMUYNHB-UHFFFAOYSA-N 0 0 408.310 5.538 50 0 HKAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1c(Cl)cccc1Cl ZINC000079475553 569431521 /nfs/dbraw/zinc/43/15/21/569431521.db2.gz MQMUQIQDDOPALT-UHFFFAOYSA-N 0 0 400.221 5.383 50 0 HKAARN CC(C)n1cc(CC(=O)NCCc2nc3ccccc3n2C(C)C)c2ccccc21 ZINC000079480355 569431702 /nfs/dbraw/zinc/43/17/02/569431702.db2.gz YGDWAMXXVOTWPC-UHFFFAOYSA-N 0 0 402.542 5.054 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 ZINC000079484932 569432129 /nfs/dbraw/zinc/43/21/29/569432129.db2.gz LUUWKJOCYUWIIP-OAQYLSRUSA-N 0 0 405.542 5.071 50 0 HKAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCCC2 ZINC000079484938 569432099 /nfs/dbraw/zinc/43/20/99/569432099.db2.gz LUUWKJOCYUWIIP-NRFANRHFSA-N 0 0 405.542 5.071 50 0 HKAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccc(-c2ccccc2)cc1 ZINC000079487054 569432219 /nfs/dbraw/zinc/43/22/19/569432219.db2.gz FUTFCGFSJOGMSA-UHFFFAOYSA-N 0 0 407.429 5.743 50 0 HKAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccc(Br)cc1F ZINC000080343689 568602723 /nfs/dbraw/zinc/60/27/23/568602723.db2.gz GFNSIWXENRKAHF-UHFFFAOYSA-N 0 0 423.669 5.135 50 0 HKAARN Cc1ccc(OCC(=O)Oc2cc3sc(=O)oc3c(-c3ccc(C)cc3)c2)cc1 ZINC000080343704 568602696 /nfs/dbraw/zinc/60/26/96/568602696.db2.gz YCDCSQDWRYZKCZ-UHFFFAOYSA-N 0 0 406.459 5.123 50 0 HKAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1cccc(C(=O)OCC(C)C)c1 ZINC000080343715 568602711 /nfs/dbraw/zinc/60/27/11/568602711.db2.gz QLQOZELDLXTTGC-UHFFFAOYSA-N 0 0 412.873 5.369 50 0 HKAARN CCCCSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344167 568602684 /nfs/dbraw/zinc/60/26/84/568602684.db2.gz ZKNMGDYAQGMQKC-CHWSQXEVSA-N 0 0 402.372 5.479 50 0 HKAARN CCCCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344169 568602705 /nfs/dbraw/zinc/60/27/05/568602705.db2.gz ZKNMGDYAQGMQKC-OLZOCXBDSA-N 0 0 402.372 5.479 50 0 HKAARN CCCCSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344172 568602926 /nfs/dbraw/zinc/60/29/26/568602926.db2.gz ZKNMGDYAQGMQKC-QWHCGFSZSA-N 0 0 402.372 5.479 50 0 HKAARN CCCCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344175 568602919 /nfs/dbraw/zinc/60/29/19/568602919.db2.gz ZKNMGDYAQGMQKC-STQMWFEESA-N 0 0 402.372 5.479 50 0 HKAARN COc1ccc(O[C@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000080344429 568602804 /nfs/dbraw/zinc/60/28/04/568602804.db2.gz LEVFDZMEZDWMDI-FQEVSTJZSA-N 0 0 402.277 5.761 50 0 HKAARN COc1ccc(O[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000080344433 568602877 /nfs/dbraw/zinc/60/28/77/568602877.db2.gz LEVFDZMEZDWMDI-HXUWFJFHSA-N 0 0 402.277 5.761 50 0 HKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1c(C)onc1-c1ccc(Cl)cc1 ZINC000080345491 568602812 /nfs/dbraw/zinc/60/28/12/568602812.db2.gz FVCVTJMOSJDHHD-UHFFFAOYSA-N 0 0 418.902 5.411 50 0 HKAARN CCCOP(=O)(OCCC)c1nc(Cc2cccc3ccccc32)oc1NC ZINC000080345678 560541958 /nfs/dbraw/zinc/54/19/58/560541958.db2.gz RQGRMSLLMYLVNY-UHFFFAOYSA-N 0 0 402.431 5.132 50 0 HKAARN CCCOP(=O)(OCCC)c1nc(Cc2cccc3ccccc32)oc1NCC ZINC000080345681 560541926 /nfs/dbraw/zinc/54/19/26/560541926.db2.gz XQHKRAWLDZPTLY-UHFFFAOYSA-N 0 0 416.458 5.522 50 0 HKAARN COc1ccc(-c2csc(-c3ccc(Oc4ccc(Cl)cc4)cc3)n2)cc1OC ZINC000080346107 568602910 /nfs/dbraw/zinc/60/29/10/568602910.db2.gz VXIKKAHVUWGDAF-UHFFFAOYSA-N 0 0 423.921 6.940 50 0 HKAARN c1ccc2c(c1)cccc2Cc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346169 568602808 /nfs/dbraw/zinc/60/28/08/568602808.db2.gz GTFCNHVRWIKRGI-UHFFFAOYSA-N 0 0 400.551 5.398 50 0 HKAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000080346173 568602871 /nfs/dbraw/zinc/60/28/71/568602871.db2.gz PHGRKBBKJPNODX-UHFFFAOYSA-N 0 0 422.598 5.530 50 0 HKAARN c1ccc2c(c1)cccc2OCc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346203 568602767 /nfs/dbraw/zinc/60/27/67/568602767.db2.gz BNDOENGIIVHDQO-UHFFFAOYSA-N 0 0 416.550 5.386 50 0 HKAARN c1ccc2cc(OCc3nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s3)ccc2c1 ZINC000080346207 568602900 /nfs/dbraw/zinc/60/29/00/568602900.db2.gz JMAHMEONZUZQHI-UHFFFAOYSA-N 0 0 416.550 5.386 50 0 HKAARN Cc1ccc(C(C)C)c(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000080346215 568602884 /nfs/dbraw/zinc/60/28/84/568602884.db2.gz SFPOMHNUPLQZHP-UHFFFAOYSA-N 0 0 422.598 5.664 50 0 HKAARN Cc1cc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c2ccccc2n1 ZINC000080346351 568602866 /nfs/dbraw/zinc/60/28/66/568602866.db2.gz PFWOQXOMKDFCNK-UHFFFAOYSA-N 0 0 401.539 5.177 50 0 HKAARN Brc1ccccc1-c1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn21 ZINC000080346405 568602914 /nfs/dbraw/zinc/60/29/14/568602914.db2.gz FSMKIBBQCPOPIY-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN Brc1cccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)c1 ZINC000080346408 568602853 /nfs/dbraw/zinc/60/28/53/568602853.db2.gz QFNRFYSGJKAGFB-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN Brc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)cc1 ZINC000080346411 568602857 /nfs/dbraw/zinc/60/28/57/568602857.db2.gz ZCIXDIIRVWZTGU-UHFFFAOYSA-N 0 0 415.360 5.083 50 0 HKAARN c1ccc2c(c1)cccc2Cc1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 ZINC000080346459 568602835 /nfs/dbraw/zinc/60/28/35/568602835.db2.gz DQRVHWDHSNMNCU-UHFFFAOYSA-N 0 0 400.551 5.398 50 0 HKAARN c1ccc2c(c1)cccc2OCc1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 ZINC000080346482 568602912 /nfs/dbraw/zinc/60/29/12/568602912.db2.gz AASNPAOXTJENNQ-UHFFFAOYSA-N 0 0 416.550 5.386 50 0 HKAARN CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000080720195 559024948 /nfs/dbraw/zinc/02/49/48/559024948.db2.gz QCRXXWNFJYKLHB-UHFFFAOYSA-N 0 0 404.463 7.488 50 0 HKAARN FC(F)(F)c1cnc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn32)c(Cl)c1 ZINC000081223948 569400637 /nfs/dbraw/zinc/40/06/37/569400637.db2.gz PIDJOFDVINHIKH-UHFFFAOYSA-N 0 0 409.198 5.784 50 0 HKAARN CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21 ZINC000082048518 559036038 /nfs/dbraw/zinc/03/60/38/559036038.db2.gz LCSMGMWMTSWXDD-UHFFFAOYSA-N 0 0 401.553 8.043 50 0 HKAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccccc2Cl)c1 ZINC000082086794 568820971 /nfs/dbraw/zinc/82/09/71/568820971.db2.gz KZEGUKXGELOXDW-SFHVURJKSA-N 0 0 422.912 5.017 50 0 HKAARN Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2Cl)c1 ZINC000082086796 568821001 /nfs/dbraw/zinc/82/10/01/568821001.db2.gz KZEGUKXGELOXDW-GOSISDBHSA-N 0 0 422.912 5.017 50 0 HKAARN CCCOCN(C(=O)CSc1nc2ccccc2s1)c1c(C)cccc1CC ZINC000082086817 568820987 /nfs/dbraw/zinc/82/09/87/568820987.db2.gz XKEWIOOAPYPTTN-UHFFFAOYSA-N 0 0 414.596 5.677 50 0 HKAARN CCOCN(C(=O)CSc1nc2ccccc2s1)c1c(CC)cccc1CC ZINC000082086819 568821017 /nfs/dbraw/zinc/82/10/17/568821017.db2.gz KYQZKQAAKASNRU-UHFFFAOYSA-N 0 0 414.596 5.540 50 0 HKAARN FC(F)(F)c1cc(-c2cccs2)nc(SCc2c(Cl)cccc2Cl)n1 ZINC000082086896 568820990 /nfs/dbraw/zinc/82/09/90/568820990.db2.gz LNRCBAWSYUTHJL-UHFFFAOYSA-N 0 0 421.296 6.823 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)c(-c3ccc(F)cc3)s2)cc1 ZINC000082087243 568820763 /nfs/dbraw/zinc/82/07/63/568820763.db2.gz LMBYSTJKSXJUOG-UHFFFAOYSA-N 0 0 423.534 5.899 50 0 HKAARN Cc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3)s2)cc1 ZINC000082087252 568820791 /nfs/dbraw/zinc/82/07/91/568820791.db2.gz QWJLKALKVDPIAO-UHFFFAOYSA-N 0 0 416.543 5.099 50 0 HKAARN Fc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2SCc2ccccc2)cc1 ZINC000082087280 568820988 /nfs/dbraw/zinc/82/09/88/568820988.db2.gz QHCGFIJYAQFKCZ-UHFFFAOYSA-N 0 0 411.954 7.562 50 0 HKAARN O=C(N[C@@H](SCc1ccccc1)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000082087328 568821162 /nfs/dbraw/zinc/82/11/62/568821162.db2.gz XPMTWYCNIGXYNN-QFIPXVFZSA-N 0 0 413.901 5.351 50 0 HKAARN O=C(N[C@H](SCc1ccccc1)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000082087330 568821166 /nfs/dbraw/zinc/82/11/66/568821166.db2.gz XPMTWYCNIGXYNN-JOCHJYFZSA-N 0 0 413.901 5.351 50 0 HKAARN CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1 ZINC000082097831 568821680 /nfs/dbraw/zinc/82/16/80/568821680.db2.gz XKBDVNXLBXQSIL-MDWZMJQESA-N 0 0 422.912 6.071 50 0 HKAARN Cc1c2cc(CNC(=O)CCc3cc(Cl)no3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082107913 559038468 /nfs/dbraw/zinc/03/84/68/559038468.db2.gz DKCXQKLKEQNZKW-UHFFFAOYSA-N 0 0 411.864 5.173 50 0 HKAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)n1 ZINC000082230391 559042774 /nfs/dbraw/zinc/04/27/74/559042774.db2.gz KHMMHZTWTKHVPE-UHFFFAOYSA-N 0 0 424.455 5.051 50 0 HKAARN CC(=O)Oc1ccc(Br)cc1/C=C\c1nc2ccccc2nc1Cl ZINC000083261005 568909455 /nfs/dbraw/zinc/90/94/55/568909455.db2.gz HPJDVZVIVYHJNK-VURMDHGXSA-N 0 0 403.663 5.141 50 0 HKAARN CC(C)(C)c1cc(/C=C\c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1 ZINC000083261856 559051808 /nfs/dbraw/zinc/05/18/08/559051808.db2.gz COYBCPIRNMSVNL-YPKPFQOOSA-N 0 0 404.682 9.047 50 0 HKAARN CCCCCCc1c(Br)sc(Br)c1CCCCCC ZINC000083316861 559052031 /nfs/dbraw/zinc/05/20/31/559052031.db2.gz YJMJDAXLNHAHAQ-UHFFFAOYSA-N 0 0 410.259 7.519 50 0 HKAARN Oc1cccc2ccc(/C=C\c3cc(Br)cc(Br)c3O)nc12 ZINC000083330320 568914965 /nfs/dbraw/zinc/91/49/65/568914965.db2.gz RPWDPJBSGSHYCB-ALCCZGGFSA-N 0 0 421.088 5.341 50 0 HKAARN CCc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000083830604 568918071 /nfs/dbraw/zinc/91/80/71/568918071.db2.gz ULCUJJWTQACOAL-BETUJISGSA-N 0 0 405.951 5.014 50 0 HKAARN CCc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000083830606 568918053 /nfs/dbraw/zinc/91/80/53/568918053.db2.gz ULCUJJWTQACOAL-CHWSQXEVSA-N 0 0 405.951 5.014 50 0 HKAARN CCn1c(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000083843335 568918179 /nfs/dbraw/zinc/91/81/79/568918179.db2.gz VSOBFTHJDVQKAG-GOSISDBHSA-N 0 0 417.340 5.410 50 0 HKAARN CCn1c(CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000083843336 568918163 /nfs/dbraw/zinc/91/81/63/568918163.db2.gz VSOBFTHJDVQKAG-SFHVURJKSA-N 0 0 417.340 5.410 50 0 HKAARN CCn1ccc2cc(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)ccc21 ZINC000083843607 568918245 /nfs/dbraw/zinc/91/82/45/568918245.db2.gz OSBCOOGMWDIWGD-UHFFFAOYSA-N 0 0 414.292 6.184 50 0 HKAARN CN(C)c1c(F)cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1F ZINC000083852358 568919819 /nfs/dbraw/zinc/91/98/19/568919819.db2.gz GPEFKWBKEIYMBU-UHFFFAOYSA-N 0 0 415.054 5.292 50 0 HKAARN CN(C)c1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1F ZINC000083854333 568919771 /nfs/dbraw/zinc/91/97/71/568919771.db2.gz DFUDYBYIJBUSMD-UHFFFAOYSA-N 0 0 420.271 5.638 50 0 HKAARN CC(=O)c1cccc(NC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000083862083 568921623 /nfs/dbraw/zinc/92/16/23/568921623.db2.gz GDQZKWDUYCGKKU-UHFFFAOYSA-N 0 0 422.504 5.295 50 0 HKAARN COC(=O)N(C)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000083869358 568922038 /nfs/dbraw/zinc/92/20/38/568922038.db2.gz DPBLKTGEBSJXKM-UHFFFAOYSA-N 0 0 423.083 5.150 50 0 HKAARN COc1cc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc(Cl)c1OC ZINC000083921342 568925708 /nfs/dbraw/zinc/92/57/08/568925708.db2.gz CILLXNDPGMEIRG-UHFFFAOYSA-N 0 0 403.812 5.555 50 0 HKAARN C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000083927602 568926107 /nfs/dbraw/zinc/92/61/07/568926107.db2.gz CLGGXXPJFIBYNQ-ZDUSSCGKSA-N 0 0 411.552 5.677 50 0 HKAARN C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000083927603 568926272 /nfs/dbraw/zinc/92/62/72/568926272.db2.gz CLGGXXPJFIBYNQ-CYBMUJFWSA-N 0 0 411.552 5.677 50 0 HKAARN C[S@@](=O)Cc1c2ccccc2sc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000083990135 568931442 /nfs/dbraw/zinc/93/14/42/568931442.db2.gz UHSXCHJAGUDMNF-NDEPHWFRSA-N 0 0 413.564 5.354 50 0 HKAARN C[S@](=O)Cc1c2ccccc2sc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000083990138 568931395 /nfs/dbraw/zinc/93/13/95/568931395.db2.gz UHSXCHJAGUDMNF-MUUNZHRXSA-N 0 0 413.564 5.354 50 0 HKAARN C[S@@](=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 ZINC000083990278 568931367 /nfs/dbraw/zinc/93/13/67/568931367.db2.gz GTIBISMINCZDHU-NDEPHWFRSA-N 0 0 403.425 5.362 50 0 HKAARN C[S@](=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 ZINC000083990283 568931454 /nfs/dbraw/zinc/93/14/54/568931454.db2.gz GTIBISMINCZDHU-MUUNZHRXSA-N 0 0 403.425 5.362 50 0 HKAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 ZINC000084001953 568932745 /nfs/dbraw/zinc/93/27/45/568932745.db2.gz MNIASSZNGDOTLK-ZDUSSCGKSA-N 0 0 410.520 5.630 50 0 HKAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 ZINC000084001958 568932766 /nfs/dbraw/zinc/93/27/66/568932766.db2.gz MNIASSZNGDOTLK-CYBMUJFWSA-N 0 0 410.520 5.630 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)c1C ZINC000084007884 568932735 /nfs/dbraw/zinc/93/27/35/568932735.db2.gz JIQFTIGLIIHFOK-JTQLQIEISA-N 0 0 410.461 5.384 50 0 HKAARN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C ZINC000084007889 568932915 /nfs/dbraw/zinc/93/29/15/568932915.db2.gz JIQFTIGLIIHFOK-SNVBAGLBSA-N 0 0 410.461 5.384 50 0 HKAARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000084008535 568932945 /nfs/dbraw/zinc/93/29/45/568932945.db2.gz GOBCKGUJFRACGW-UHFFFAOYSA-N 0 0 424.278 6.050 50 0 HKAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000084012031 568933071 /nfs/dbraw/zinc/93/30/71/568933071.db2.gz XIHYYIRYRXVUHS-ZDUSSCGKSA-N 0 0 405.527 5.196 50 0 HKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)Cc1cccc2ccccc21 ZINC000084014158 568933102 /nfs/dbraw/zinc/93/31/02/568933102.db2.gz XPMKHIWOJLHCRJ-MUUNZHRXSA-N 0 0 408.954 5.495 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC000084019801 568933305 /nfs/dbraw/zinc/93/33/05/568933305.db2.gz FQHXGXWMCYVPBG-UHFFFAOYSA-N 0 0 417.248 5.061 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000084019827 568933292 /nfs/dbraw/zinc/93/32/92/568933292.db2.gz ILQWWKUODYDBCS-INIZCTEOSA-N 0 0 405.256 5.513 50 0 HKAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)Cc1cc(Br)ccc1F ZINC000084023310 568933085 /nfs/dbraw/zinc/93/30/85/568933085.db2.gz PNSOMDZTTOCXLA-UHFFFAOYSA-N 0 0 422.298 5.000 50 0 HKAARN Cc1sc2[nH]c(COCC(F)(F)F)nc(=O)c2c1-c1ccc(Cl)cc1Cl ZINC000084026875 568933081 /nfs/dbraw/zinc/93/30/81/568933081.db2.gz FNSFPPKWNGIKTK-UHFFFAOYSA-N 0 0 423.243 5.346 50 0 HKAARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000084027104 568933301 /nfs/dbraw/zinc/93/33/01/568933301.db2.gz TZNVHLCRDDSINM-UHFFFAOYSA-N 0 0 419.472 5.503 50 0 HKAARN Cc1nc(CN(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccc(F)cc2)cs1 ZINC000084028713 568933311 /nfs/dbraw/zinc/93/33/11/568933311.db2.gz KBYNKYGAKNYCLH-UHFFFAOYSA-N 0 0 409.408 5.160 50 0 HKAARN COC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)c1C ZINC000084041357 568933577 /nfs/dbraw/zinc/93/35/77/568933577.db2.gz WKZNLCSQRUVPRQ-UHFFFAOYSA-N 0 0 400.887 5.119 50 0 HKAARN Cc1occc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1C ZINC000084044288 568933551 /nfs/dbraw/zinc/93/35/51/568933551.db2.gz JXKPQCJMZWCPQS-UHFFFAOYSA-N 0 0 400.504 5.023 50 0 HKAARN Cc1nc(SCc2cn3cc(Br)ccc3n2)[nH]c1Cc1ccccc1 ZINC000084052219 568933822 /nfs/dbraw/zinc/93/38/22/568933822.db2.gz QESWFWTYVBEDEB-UHFFFAOYSA-N 0 0 413.344 5.011 50 0 HKAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000084053134 568933721 /nfs/dbraw/zinc/93/37/21/568933721.db2.gz HNLBKGMYDFCCOV-INIZCTEOSA-N 0 0 400.931 5.141 50 0 HKAARN Cc1nc2cc(F)cc(C(=O)Oc3ccc(C4SCCS4)cc3)c2nc1C ZINC000084057294 568933533 /nfs/dbraw/zinc/93/35/33/568933533.db2.gz ZUOYAXHGOOENQA-UHFFFAOYSA-N 0 0 400.500 5.084 50 0 HKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)s1 ZINC000084062391 568934751 /nfs/dbraw/zinc/93/47/51/568934751.db2.gz VYSJDSFDLFJLQO-LLVKDONJSA-N 0 0 422.337 5.745 50 0 HKAARN Cc1nc(C)c([C@H](C)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)s1 ZINC000084062394 568934726 /nfs/dbraw/zinc/93/47/26/568934726.db2.gz VYSJDSFDLFJLQO-NSHDSACASA-N 0 0 422.337 5.745 50 0 HKAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000084064414 568934684 /nfs/dbraw/zinc/93/46/84/568934684.db2.gz KIRYDYPKRMVUQT-UHFFFAOYSA-N 0 0 412.605 5.773 50 0 HKAARN Cc1nc(-c2c[nH]c(C(=O)Nc3nc(C)c(Cc4ccccc4F)s3)c2)cs1 ZINC000084064527 568934275 /nfs/dbraw/zinc/93/42/75/568934275.db2.gz JGWBRIIPHXWDHY-UHFFFAOYSA-N 0 0 412.515 5.194 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000084064626 568934199 /nfs/dbraw/zinc/93/41/99/568934199.db2.gz IDRXVHCHVZQLQS-INIZCTEOSA-N 0 0 411.958 5.028 50 0 HKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000084064627 568934320 /nfs/dbraw/zinc/93/43/20/568934320.db2.gz IDRXVHCHVZQLQS-MRXNPFEDSA-N 0 0 411.958 5.028 50 0 HKAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1sc(-c2ccccc2Cl)nc1C ZINC000084064717 568934516 /nfs/dbraw/zinc/93/45/16/568934516.db2.gz BMEXVTMKRYWSHN-CQSZACIVSA-N 0 0 400.931 5.614 50 0 HKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c12 ZINC000084066746 568934877 /nfs/dbraw/zinc/93/48/77/568934877.db2.gz CWPGWBRFHQBETQ-UHFFFAOYSA-N 0 0 413.264 5.340 50 0 HKAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1cccc(C2SCCCS2)c1 ZINC000084068153 568935950 /nfs/dbraw/zinc/93/59/50/568935950.db2.gz HYJRZIIZKCTWDA-OAHLLOKOSA-N 0 0 412.580 6.493 50 0 HKAARN Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1cccc(C2SCCCS2)c1 ZINC000084068154 568935882 /nfs/dbraw/zinc/93/58/82/568935882.db2.gz HYJRZIIZKCTWDA-HNNXBMFYSA-N 0 0 412.580 6.493 50 0 HKAARN Cc1cc(C)c(NC(=S)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000084074960 568935694 /nfs/dbraw/zinc/93/56/94/568935694.db2.gz PPKXUDFVTBHHCU-GFCCVEGCSA-N 0 0 404.898 5.194 50 0 HKAARN CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1C ZINC000084076882 568935936 /nfs/dbraw/zinc/93/59/36/568935936.db2.gz DSGZMOJGWIOCGT-MUUNZHRXSA-N 0 0 420.958 5.078 50 0 HKAARN CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1C ZINC000084076886 568935941 /nfs/dbraw/zinc/93/59/41/568935941.db2.gz DSGZMOJGWIOCGT-NDEPHWFRSA-N 0 0 420.958 5.078 50 0 HKAARN Cc1cc(NC(=O)C2=C(Cl)CCCC2)c(C)cc1NC(=O)C1=C(Cl)CCCC1 ZINC000084077354 568936097 /nfs/dbraw/zinc/93/60/97/568936097.db2.gz UBACLGFWCMSSFR-UHFFFAOYSA-N 0 0 421.368 6.314 50 0 HKAARN Cc1cc(C(=O)CSCc2cc3c(c(Cl)c2)OCO3)c(C)n1-c1nccs1 ZINC000084081464 568936159 /nfs/dbraw/zinc/93/61/59/568936159.db2.gz MNRDCCYMJRJVJV-UHFFFAOYSA-N 0 0 420.943 5.049 50 0 HKAARN Cc1cc(-c2cc(C(=O)NNc3cccc(Cl)c3)c3c(C)noc3n2)c(C)s1 ZINC000084081901 560734399 /nfs/dbraw/zinc/73/43/99/560734399.db2.gz VKWAWXIEJWGSKG-UHFFFAOYSA-N 0 0 412.902 5.287 50 0 HKAARN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1ccc(-n2cncn2)cc1C ZINC000084090026 568937090 /nfs/dbraw/zinc/93/70/90/568937090.db2.gz MAPJWEWBSGNEDM-HNNXBMFYSA-N 0 0 422.485 5.065 50 0 HKAARN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1ccc(-n2cncn2)cc1C ZINC000084090031 568937140 /nfs/dbraw/zinc/93/71/40/568937140.db2.gz MAPJWEWBSGNEDM-OAHLLOKOSA-N 0 0 422.485 5.065 50 0 HKAARN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(SC2CCCCC2)cc1C ZINC000084093297 568937073 /nfs/dbraw/zinc/93/70/73/568937073.db2.gz NSTXIRBXIRRNOO-UHFFFAOYSA-N 0 0 424.595 5.894 50 0 HKAARN Cc1csc(Sc2ccc(NC(=O)c3ccccc3C(F)(F)F)c(C)c2)n1 ZINC000084093386 568937052 /nfs/dbraw/zinc/93/70/52/568937052.db2.gz ZVVKUQNGEBUCTC-UHFFFAOYSA-N 0 0 408.470 6.182 50 0 HKAARN Cc1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cnc1Cl ZINC000084101599 568937820 /nfs/dbraw/zinc/93/78/20/568937820.db2.gz LGVOAKALAFYRDX-HNNXBMFYSA-N 0 0 405.951 5.155 50 0 HKAARN Cc1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cnc1Cl ZINC000084101603 568937797 /nfs/dbraw/zinc/93/77/97/568937797.db2.gz LGVOAKALAFYRDX-OAHLLOKOSA-N 0 0 405.951 5.155 50 0 HKAARN Cc1cc(NCc2csc(-c3ccccn3)n2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000084105207 568937983 /nfs/dbraw/zinc/93/79/83/568937983.db2.gz VDBFNEAAVBVROS-UHFFFAOYSA-N 0 0 415.444 5.330 50 0 HKAARN Cc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000084114670 568938637 /nfs/dbraw/zinc/93/86/37/568938637.db2.gz ARMRUEZRTRFRTK-UHFFFAOYSA-N 0 0 423.788 5.422 50 0 HKAARN Cc1cc2oc(=O)cc(COc3nc(-c4ccccc4Cl)no3)c2cc1Cl ZINC000084129056 568939350 /nfs/dbraw/zinc/93/93/50/568939350.db2.gz CPHYDFSKAFRZGQ-UHFFFAOYSA-N 0 0 403.221 5.037 50 0 HKAARN Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000084142462 568940095 /nfs/dbraw/zinc/94/00/95/568940095.db2.gz GBXJXDPLLPVINB-CEXHIMGSSA-N 0 0 417.880 5.252 50 0 HKAARN Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000084142463 568940138 /nfs/dbraw/zinc/94/01/38/568940138.db2.gz GBXJXDPLLPVINB-JGTBNHKDSA-N 0 0 417.880 5.252 50 0 HKAARN Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000084142468 568940158 /nfs/dbraw/zinc/94/01/58/568940158.db2.gz GBXJXDPLLPVINB-QWVSSGJLSA-N 0 0 417.880 5.252 50 0 HKAARN Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000084142471 568940155 /nfs/dbraw/zinc/94/01/55/568940155.db2.gz GBXJXDPLLPVINB-PFUSGODGSA-N 0 0 417.880 5.252 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(SCc3csc(Br)c3)o2)c1 ZINC000084146359 568940351 /nfs/dbraw/zinc/94/03/51/568940351.db2.gz YKBMEZDTBZFPEA-UHFFFAOYSA-N 0 0 411.346 5.382 50 0 HKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3ccccc3)ns2)n1 ZINC000084147628 568940381 /nfs/dbraw/zinc/94/03/81/568940381.db2.gz DBEVXVSJPOSILW-UHFFFAOYSA-N 0 0 407.520 5.503 50 0 HKAARN COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)n1 ZINC000084147697 568940460 /nfs/dbraw/zinc/94/04/60/568940460.db2.gz QNPWTQZCCRGLGO-UHFFFAOYSA-N 0 0 419.431 5.387 50 0 HKAARN CC(=O)N(c1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1)c1ccc(C)cc1 ZINC000084150456 568941133 /nfs/dbraw/zinc/94/11/33/568941133.db2.gz CMIZEQACXMKMKC-JPYJTQIMSA-N 0 0 421.566 5.098 50 0 HKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cnc(C(C)(C)C)nc4)cc3)o2)cc1 ZINC000084174728 568941497 /nfs/dbraw/zinc/94/14/97/568941497.db2.gz QSPDECNKECHKFX-UHFFFAOYSA-N 0 0 413.481 5.052 50 0 HKAARN Cc1ccc(-n2ncc(NCc3cccc4cccnc43)c(Cl)c2=O)cc1Cl ZINC000084183119 568942348 /nfs/dbraw/zinc/94/23/48/568942348.db2.gz FLRDOMQSZQVWSI-UHFFFAOYSA-N 0 0 411.292 5.008 50 0 HKAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCCc4cccc(OC(F)F)c43)s2)o1 ZINC000084195523 568944475 /nfs/dbraw/zinc/94/44/75/568944475.db2.gz BALJXVZIGPGLIC-UHFFFAOYSA-N 0 0 404.438 5.214 50 0 HKAARN Cc1cccc(NC(=O)[C@H](Sc2nnc3sc4ccccc4n23)C(C)C)c1C ZINC000084218648 568944655 /nfs/dbraw/zinc/94/46/55/568944655.db2.gz HPXRYMPYLAZRHT-GOSISDBHSA-N 0 0 410.568 5.316 50 0 HKAARN Cc1cccc(NC(=O)[C@@H](Sc2nnc3sc4ccccc4n23)C(C)C)c1C ZINC000084218649 568944600 /nfs/dbraw/zinc/94/46/00/568944600.db2.gz HPXRYMPYLAZRHT-SFHVURJKSA-N 0 0 410.568 5.316 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccnc2cc(Br)ccc21 ZINC000084224841 568944911 /nfs/dbraw/zinc/94/49/11/568944911.db2.gz YDGAJPOOLGABLW-UHFFFAOYSA-N 0 0 413.315 5.447 50 0 HKAARN Cc1cccc(C)c1OC1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000084225205 568944699 /nfs/dbraw/zinc/94/46/99/568944699.db2.gz WHPORCAWLIDGPY-UHFFFAOYSA-N 0 0 401.938 5.098 50 0 HKAARN Cc1ccccc1[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000084234795 568944981 /nfs/dbraw/zinc/94/49/81/568944981.db2.gz WVGLNRLJOYEVAC-OAHLLOKOSA-N 0 0 419.352 5.667 50 0 HKAARN Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000084234800 568945058 /nfs/dbraw/zinc/94/50/58/568945058.db2.gz WVGLNRLJOYEVAC-HNNXBMFYSA-N 0 0 419.352 5.667 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)n(-c2ccccn2)n1 ZINC000084241155 568944856 /nfs/dbraw/zinc/94/48/56/568944856.db2.gz VENOHXGGYPAGST-UHFFFAOYSA-N 0 0 405.889 5.019 50 0 HKAARN Cc1occc1-c1nn(CN(Cc2ccccc2)Cc2ccccc2C)c(=S)n1C ZINC000084243868 568944789 /nfs/dbraw/zinc/94/47/89/568944789.db2.gz PHWLQDZKVMYJMT-UHFFFAOYSA-N 0 0 418.566 5.488 50 0 HKAARN Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4C)cc3)nc12 ZINC000084247938 568945062 /nfs/dbraw/zinc/94/50/62/568945062.db2.gz PUYOJFCCKXPKIX-UHFFFAOYSA-N 0 0 410.399 5.284 50 0 HKAARN Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)n1 ZINC000084271347 568945560 /nfs/dbraw/zinc/94/55/60/568945560.db2.gz ODCBSMQSEYBQAM-LJQANCHMSA-N 0 0 413.543 6.111 50 0 HKAARN Cc1nc(-c2c[nH]c(C(=O)N[C@H](c3ccsc3)c3ccc(Cl)cc3)c2)cs1 ZINC000084274927 568945585 /nfs/dbraw/zinc/94/55/85/568945585.db2.gz QYWAVIVWDIDQAW-IBGZPJMESA-N 0 0 413.955 5.681 50 0 HKAARN Cc1nc(-c2c[nH]c(C(=O)N[C@@H](c3ccsc3)c3ccc(Cl)cc3)c2)cs1 ZINC000084274928 568945558 /nfs/dbraw/zinc/94/55/58/568945558.db2.gz QYWAVIVWDIDQAW-LJQANCHMSA-N 0 0 413.955 5.681 50 0 HKAARN CN(C(=O)Nc1ccccc1C(C)(C)C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000084284583 568945396 /nfs/dbraw/zinc/94/53/96/568945396.db2.gz PIHCTWUXQPHPTB-QFIPXVFZSA-N 0 0 407.945 6.286 50 0 HKAARN CN(C(=O)Nc1ccccc1C(C)(C)C)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000084284585 568945375 /nfs/dbraw/zinc/94/53/75/568945375.db2.gz PIHCTWUXQPHPTB-JOCHJYFZSA-N 0 0 407.945 6.286 50 0 HKAARN Cc1noc([C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 ZINC000084286532 568945364 /nfs/dbraw/zinc/94/53/64/568945364.db2.gz RTWGTSSMGXIWBV-MFKMUULPSA-N 0 0 404.561 5.494 50 0 HKAARN Cc1noc([C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 ZINC000084286534 568945417 /nfs/dbraw/zinc/94/54/17/568945417.db2.gz RTWGTSSMGXIWBV-GWCFXTLKSA-N 0 0 404.561 5.494 50 0 HKAARN Cc1noc([C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 ZINC000084286536 568945437 /nfs/dbraw/zinc/94/54/37/568945437.db2.gz RTWGTSSMGXIWBV-ZWNOBZJWSA-N 0 0 404.561 5.494 50 0 HKAARN Cc1noc([C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 ZINC000084286538 568945420 /nfs/dbraw/zinc/94/54/20/568945420.db2.gz RTWGTSSMGXIWBV-GXFFZTMASA-N 0 0 404.561 5.494 50 0 HKAARN Cc1nc2ccc(NC(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)cc2o1 ZINC000084290349 568945816 /nfs/dbraw/zinc/94/58/16/568945816.db2.gz WHOLCXGFPJXEPI-UHFFFAOYSA-N 0 0 410.804 6.275 50 0 HKAARN Cn1ncc2c1CCC[C@H]2NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000084310574 568945989 /nfs/dbraw/zinc/94/59/89/568945989.db2.gz PSIKQRRIJSMJHA-GFCCVEGCSA-N 0 0 413.852 5.114 50 0 HKAARN Cn1ncc2c1CCC[C@@H]2NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000084310579 568946024 /nfs/dbraw/zinc/94/60/24/568946024.db2.gz PSIKQRRIJSMJHA-LBPRGKRZSA-N 0 0 413.852 5.114 50 0 HKAARN CC(C)(C)c1nnc(COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)o1 ZINC000084325361 568946163 /nfs/dbraw/zinc/94/61/63/568946163.db2.gz UOARJJBPGIHOGS-UHFFFAOYSA-N 0 0 418.824 5.611 50 0 HKAARN CC(C)(C)c1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 ZINC000084325415 568946158 /nfs/dbraw/zinc/94/61/58/568946158.db2.gz TUOUIGLSZKMCMZ-UHFFFAOYSA-N 0 0 422.485 5.549 50 0 HKAARN CC(C)(C)n1nc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1C1CC1 ZINC000084325552 568946229 /nfs/dbraw/zinc/94/62/29/568946229.db2.gz PDECWGYFIVADAC-UHFFFAOYSA-N 0 0 402.470 5.170 50 0 HKAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000084325680 568946185 /nfs/dbraw/zinc/94/61/85/568946185.db2.gz BBSHZPOWHSJOCC-HNNXBMFYSA-N 0 0 402.951 5.156 50 0 HKAARN CC(C)(CC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000084325837 568946233 /nfs/dbraw/zinc/94/62/33/568946233.db2.gz NDGUJTIMSHBRHV-QHCPKHFHSA-N 0 0 413.521 5.036 50 0 HKAARN CC(C)(CC(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000084325839 568946216 /nfs/dbraw/zinc/94/62/16/568946216.db2.gz NDGUJTIMSHBRHV-HSZRJFAPSA-N 0 0 413.521 5.036 50 0 HKAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCC[C@H]1c1ccc[nH]1 ZINC000084338989 568946890 /nfs/dbraw/zinc/94/68/90/568946890.db2.gz UEWNYXOYCPFTOX-KRWDZBQOSA-N 0 0 405.445 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ZINC000084625078 568953513 /nfs/dbraw/zinc/95/35/13/568953513.db2.gz KWPPDUOTVJZDAY-HNNXBMFYSA-N 0 0 415.868 5.351 50 0 HKAARN CC(C)c1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000084625320 568953637 /nfs/dbraw/zinc/95/36/37/568953637.db2.gz AYTDIYYJBVZWFI-UHFFFAOYSA-N 0 0 401.535 6.002 50 0 HKAARN CC(C)c1cnc(CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)o1 ZINC000084630737 568953765 /nfs/dbraw/zinc/95/37/65/568953765.db2.gz CXVBNUWLPRRACG-UHFFFAOYSA-N 0 0 408.068 5.208 50 0 HKAARN C[C@@H](CNC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000084638320 568954112 /nfs/dbraw/zinc/95/41/12/568954112.db2.gz OTBYTIZZOUOGQN-HNNXBMFYSA-N 0 0 409.580 5.539 50 0 HKAARN C[C@H](CNC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000084638321 568954025 /nfs/dbraw/zinc/95/40/25/568954025.db2.gz OTBYTIZZOUOGQN-OAHLLOKOSA-N 0 0 409.580 5.539 50 0 HKAARN C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccs1 ZINC000084667318 568955068 /nfs/dbraw/zinc/95/50/68/568955068.db2.gz GJRBREPQZRIJSV-NSHDSACASA-N 0 0 421.291 5.328 50 0 HKAARN C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccs1 ZINC000084667320 568954980 /nfs/dbraw/zinc/95/49/80/568954980.db2.gz GJRBREPQZRIJSV-LLVKDONJSA-N 0 0 421.291 5.328 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000084667866 568955011 /nfs/dbraw/zinc/95/50/11/568955011.db2.gz LXJRKJAKZOCKCU-SWLSCSKDSA-N 0 0 401.532 5.375 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000084667868 568955249 /nfs/dbraw/zinc/95/52/49/568955249.db2.gz LXJRKJAKZOCKCU-IUODEOHRSA-N 0 0 401.532 5.375 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000084667870 568955239 /nfs/dbraw/zinc/95/52/39/568955239.db2.gz LXJRKJAKZOCKCU-WFASDCNBSA-N 0 0 401.532 5.375 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000084667872 568955199 /nfs/dbraw/zinc/95/51/99/568955199.db2.gz LXJRKJAKZOCKCU-DOMZBBRYSA-N 0 0 401.532 5.375 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1[nH]c2ccccc2c1Br ZINC000084667880 568955242 /nfs/dbraw/zinc/95/52/42/568955242.db2.gz DMFORMMYMKGWMT-NSHDSACASA-N 0 0 414.328 5.373 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1[nH]c2ccccc2c1Br ZINC000084667882 568955203 /nfs/dbraw/zinc/95/52/03/568955203.db2.gz DMFORMMYMKGWMT-LLVKDONJSA-N 0 0 414.328 5.373 50 0 HKAARN CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000084668337 568955344 /nfs/dbraw/zinc/95/53/44/568955344.db2.gz UMMQCTPMFSDMMM-UQBPGWFLSA-N 0 0 420.940 6.058 50 0 HKAARN C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC(C)(C)O1 ZINC000084705734 568956332 /nfs/dbraw/zinc/95/63/32/568956332.db2.gz SSSRAVNTQNCHFV-CQSZACIVSA-N 0 0 401.553 5.426 50 0 HKAARN C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC(C)(C)O1 ZINC000084705737 568956342 /nfs/dbraw/zinc/95/63/42/568956342.db2.gz SSSRAVNTQNCHFV-AWEZNQCLSA-N 0 0 401.553 5.426 50 0 HKAARN CC[C@H](NC(=O)c1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734906 568957413 /nfs/dbraw/zinc/95/74/13/568957413.db2.gz ZWKSAVMKFNSCLC-HNNXBMFYSA-N 0 0 420.694 5.034 50 0 HKAARN CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000084734907 568957428 /nfs/dbraw/zinc/95/74/28/568957428.db2.gz ZWKSAVMKFNSCLC-OAHLLOKOSA-N 0 0 420.694 5.034 50 0 HKAARN CCCc1ccc(-c2ccc(NC(=O)c3sc(-c4nc[nH]n4)nc3C)cc2)cc1 ZINC000084759002 568958460 /nfs/dbraw/zinc/95/84/60/568958460.db2.gz IJSFKUCLQAWPOT-UHFFFAOYSA-N 0 0 403.511 5.108 50 0 HKAARN CCCn1c(C)cc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)c1C ZINC000084759131 568958383 /nfs/dbraw/zinc/95/83/83/568958383.db2.gz LAAFEVHICRTSCX-UHFFFAOYSA-N 0 0 411.424 5.447 50 0 HKAARN CCN(Cc1cccc(Cl)c1)C(=O)c1sc2ccccc2c1C[S@](C)=O ZINC000084777516 568959156 /nfs/dbraw/zinc/95/91/56/568959156.db2.gz CUMNSWIEHTUFTB-AREMUKBSSA-N 0 0 405.972 5.096 50 0 HKAARN CCN(Cc1cccc(Cl)c1)C(=O)c1sc2ccccc2c1C[S@@](C)=O ZINC000084777522 568959205 /nfs/dbraw/zinc/95/92/05/568959205.db2.gz CUMNSWIEHTUFTB-SANMLTNESA-N 0 0 405.972 5.096 50 0 HKAARN CCOC(=O)c1sc(N(CC)C(=O)CC(c2ccccc2)c2ccccc2)nc1C ZINC000084779689 568959153 /nfs/dbraw/zinc/95/91/53/568959153.db2.gz USUPULAADLRIMY-UHFFFAOYSA-N 0 0 422.550 5.203 50 0 HKAARN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C)nc2ccccc21 ZINC000084795680 568959852 /nfs/dbraw/zinc/95/98/52/568959852.db2.gz VJBJAQOMYBHIGL-UHFFFAOYSA-N 0 0 405.479 5.062 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084796786 568959846 /nfs/dbraw/zinc/95/98/46/568959846.db2.gz XXRRMHJFHOWNTA-LJQANCHMSA-N 0 0 405.420 5.423 50 0 HKAARN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084796787 568959850 /nfs/dbraw/zinc/95/98/50/568959850.db2.gz XXRRMHJFHOWNTA-IBGZPJMESA-N 0 0 405.420 5.423 50 0 HKAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000084796816 568959877 /nfs/dbraw/zinc/95/98/77/568959877.db2.gz UMILCRVFQMDUHY-UHFFFAOYSA-N 0 0 422.916 5.141 50 0 HKAARN CCOc1ccccc1Oc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000084811039 568960513 /nfs/dbraw/zinc/96/05/13/568960513.db2.gz CNQOSXLKUSMDAN-UHFFFAOYSA-N 0 0 406.526 5.105 50 0 HKAARN CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 ZINC000085210714 559056508 /nfs/dbraw/zinc/05/65/08/559056508.db2.gz YUKFLTKJFMBYJM-XBIABUBVSA-N 0 0 416.602 5.983 50 0 HKAARN Cn1c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc2ccccc21 ZINC000085210720 559056524 /nfs/dbraw/zinc/05/65/24/559056524.db2.gz PFJAHDIIEPTASS-UHFFFAOYSA-N 0 0 403.550 7.618 50 0 HKAARN CC(C)CCCCCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCCCCCCC(C)C ZINC000085221284 559056531 /nfs/dbraw/zinc/05/65/31/559056531.db2.gz HORIEOQXBKUKGQ-PSWAGMNNSA-N 0 0 424.666 7.092 50 0 HKAARN CC(C)CCCCCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)OCCCCCCC(C)C ZINC000085221288 559056530 /nfs/dbraw/zinc/05/65/30/559056530.db2.gz HORIEOQXBKUKGQ-ZEQRLZLVSA-N 0 0 424.666 7.092 50 0 HKAARN CC(C)CCCCCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)OCCCCCCC(C)C ZINC000085221291 559056518 /nfs/dbraw/zinc/05/65/18/559056518.db2.gz HORIEOQXBKUKGQ-DNQXCXABSA-N 0 0 424.666 7.092 50 0 HKAARN CCCCC(CCc1ccc(C(F)(F)F)cc1)CCc1ccc(C(F)(F)F)cc1 ZINC000085221685 559056515 /nfs/dbraw/zinc/05/65/15/559056515.db2.gz GHHGNCHAZXFBQN-UHFFFAOYSA-N 0 0 416.449 8.096 50 0 HKAARN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@]13C ZINC000085221717 559056533 /nfs/dbraw/zinc/05/65/33/559056533.db2.gz KPUDOJPVQQJLGI-HAYQXXOZSA-N 0 0 424.713 8.521 50 0 HKAARN CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1 ZINC000085224784 559056542 /nfs/dbraw/zinc/05/65/42/559056542.db2.gz GOLHJMJCRFQWNY-UHFFFAOYSA-N 0 0 424.220 7.474 50 0 HKAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl ZINC000085345110 568982840 /nfs/dbraw/zinc/98/28/40/568982840.db2.gz GSDQMNCRHXHWQU-UHFFFAOYSA-N 0 0 407.105 5.681 50 0 HKAARN Brc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Br)c1 ZINC000085345550 568982817 /nfs/dbraw/zinc/98/28/17/568982817.db2.gz HSORITGKGQDQFL-UHFFFAOYSA-N 0 0 418.088 6.015 50 0 HKAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000085382189 568983959 /nfs/dbraw/zinc/98/39/59/568983959.db2.gz CERUOKKWIFCEEH-HSZRJFAPSA-N 0 0 400.478 5.093 50 0 HKAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000085382194 568983998 /nfs/dbraw/zinc/98/39/98/568983998.db2.gz CERUOKKWIFCEEH-QHCPKHFHSA-N 0 0 400.478 5.093 50 0 HKAARN O=C(c1ccccc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000085384612 568984057 /nfs/dbraw/zinc/98/40/57/568984057.db2.gz VANOJEVSCUVPOY-UHFFFAOYSA-N 0 0 404.263 5.189 50 0 HKAARN CCCOc1ccc(C(=O)N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000085388639 568984214 /nfs/dbraw/zinc/98/42/14/568984214.db2.gz AHWSZTDQVGYRRD-UHFFFAOYSA-N 0 0 406.448 5.211 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccnc1 ZINC000085388772 568984197 /nfs/dbraw/zinc/98/41/97/568984197.db2.gz XDOQRPBRMDOMFC-IFMALSPDSA-N 0 0 402.885 5.291 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccnc1 ZINC000085388777 568984200 /nfs/dbraw/zinc/98/42/00/568984200.db2.gz XDOQRPBRMDOMFC-RBBKRZOGSA-N 0 0 402.885 5.291 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccnc1 ZINC000085388784 568984183 /nfs/dbraw/zinc/98/41/83/568984183.db2.gz XDOQRPBRMDOMFC-IRLDBZIGSA-N 0 0 402.885 5.291 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccnc1 ZINC000085388788 568984210 /nfs/dbraw/zinc/98/42/10/568984210.db2.gz XDOQRPBRMDOMFC-UNMCSNQZSA-N 0 0 402.885 5.291 50 0 HKAARN C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000085388905 568984377 /nfs/dbraw/zinc/98/43/77/568984377.db2.gz YWMHHJCQMNXQPO-KSFYIVLOSA-N 0 0 421.903 5.753 50 0 HKAARN C[C@@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000085388909 568984409 /nfs/dbraw/zinc/98/44/09/568984409.db2.gz YWMHHJCQMNXQPO-OPAMFIHVSA-N 0 0 421.903 5.753 50 0 HKAARN C[C@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000085388913 568984399 /nfs/dbraw/zinc/98/43/99/568984399.db2.gz YWMHHJCQMNXQPO-AOMKIAJQSA-N 0 0 421.903 5.753 50 0 HKAARN C[C@@H](NC(=O)N1C[C@@H](c2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000085388916 568984428 /nfs/dbraw/zinc/98/44/28/568984428.db2.gz YWMHHJCQMNXQPO-ZHRRBRCNSA-N 0 0 421.903 5.753 50 0 HKAARN CO[P@](C)(=O)[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000085389557 568984205 /nfs/dbraw/zinc/98/42/05/568984205.db2.gz YAUDIWMBBIZGCQ-LMKMVOKYSA-N 0 0 402.214 5.473 50 0 HKAARN CO[P@@](C)(=O)[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000085389559 568984175 /nfs/dbraw/zinc/98/41/75/568984175.db2.gz YAUDIWMBBIZGCQ-IVCQMTBJSA-N 0 0 402.214 5.473 50 0 HKAARN CO[P@](C)(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000085389562 568984194 /nfs/dbraw/zinc/98/41/94/568984194.db2.gz YAUDIWMBBIZGCQ-CPJLOUKISA-N 0 0 402.214 5.473 50 0 HKAARN CO[P@@](C)(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000085389564 568984198 /nfs/dbraw/zinc/98/41/98/568984198.db2.gz YAUDIWMBBIZGCQ-PUAOIOHZSA-N 0 0 402.214 5.473 50 0 HKAARN O=C(Nc1cccc(OCc2ccccc2)c1)c1scnc1CCc1ccncc1 ZINC000085391789 568984211 /nfs/dbraw/zinc/98/42/11/568984211.db2.gz NNEBTVYHOORSKA-UHFFFAOYSA-N 0 0 415.518 5.155 50 0 HKAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1scnc1CCc1ccncc1 ZINC000085391799 568984170 /nfs/dbraw/zinc/98/41/70/568984170.db2.gz ACYQCOHJXQNBBQ-UHFFFAOYSA-N 0 0 401.491 5.368 50 0 HKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1scnc1CCc1ccncc1 ZINC000085391808 568984172 /nfs/dbraw/zinc/98/41/72/568984172.db2.gz BAVLAZVUTRWWJJ-UHFFFAOYSA-N 0 0 415.518 5.155 50 0 HKAARN CCc1noc(NCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000085391833 568984213 /nfs/dbraw/zinc/98/42/13/568984213.db2.gz ALTQMZLLKSMZAI-UHFFFAOYSA-N 0 0 421.497 5.128 50 0 HKAARN Cc1noc(NCc2ccc(Cl)cc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000085391951 568984181 /nfs/dbraw/zinc/98/41/81/568984181.db2.gz GPZRKKDXNTWWAO-UHFFFAOYSA-N 0 0 409.795 5.520 50 0 HKAARN Cc1noc(NCc2ccc(F)c(F)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000085391968 568984179 /nfs/dbraw/zinc/98/41/79/568984179.db2.gz WYQYVPPXACAWPP-UHFFFAOYSA-N 0 0 411.330 5.144 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)n1c2ccccc2nc1NCc1ccncc1 ZINC000085392129 568984805 /nfs/dbraw/zinc/98/48/05/568984805.db2.gz SNPGMOQMWFMKGN-UHFFFAOYSA-N 0 0 411.387 5.142 50 0 HKAARN CCCN(C)C(=O)[C@@H](C)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407082 559056704 /nfs/dbraw/zinc/05/67/04/559056704.db2.gz MAZJFUMEQSRMQD-CYBMUJFWSA-N 0 0 422.331 5.502 50 0 HKAARN CCCN(C)C(=O)[C@H](C)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407086 559056710 /nfs/dbraw/zinc/05/67/10/559056710.db2.gz MAZJFUMEQSRMQD-ZDUSSCGKSA-N 0 0 422.331 5.502 50 0 HKAARN CC(C)CNC(=O)[C@@H](C)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407291 559056713 /nfs/dbraw/zinc/05/67/13/559056713.db2.gz GYUSDOIYUPAPGP-CYBMUJFWSA-N 0 0 422.331 5.406 50 0 HKAARN CC(C)CNC(=O)[C@H](C)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407295 559056708 /nfs/dbraw/zinc/05/67/08/559056708.db2.gz GYUSDOIYUPAPGP-ZDUSSCGKSA-N 0 0 422.331 5.406 50 0 HKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NC(C)C)n3c2)c1 ZINC000085409095 568985941 /nfs/dbraw/zinc/98/59/41/568985941.db2.gz ZBRXDIFOKIVKDH-UHFFFAOYSA-N 0 0 411.549 5.742 50 0 HKAARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CCC(=O)N4CCCC4)n3c2)c1 ZINC000085410354 568985911 /nfs/dbraw/zinc/98/59/11/568985911.db2.gz LLMFIHKXGABMCA-UHFFFAOYSA-N 0 0 423.560 5.840 50 0 HKAARN O=C(CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3)cn21)NCc1ccco1 ZINC000085410988 568986130 /nfs/dbraw/zinc/98/61/30/568986130.db2.gz KAQOSWZVTDBZOK-UHFFFAOYSA-N 0 0 421.500 5.510 50 0 HKAARN CC(C)NC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000085411011 568986077 /nfs/dbraw/zinc/98/60/77/568986077.db2.gz QWHGQOXNECDKQU-UHFFFAOYSA-N 0 0 417.940 5.779 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000085411827 568986115 /nfs/dbraw/zinc/98/61/15/568986115.db2.gz LPYDHLVFZXNVKA-FQEVSTJZSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000085411831 568986132 /nfs/dbraw/zinc/98/61/32/568986132.db2.gz LPYDHLVFZXNVKA-HXUWFJFHSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)S1 ZINC000085411834 568986066 /nfs/dbraw/zinc/98/60/66/568986066.db2.gz LPOFSJAKTQUDBK-KRWDZBQOSA-N 0 0 409.477 5.977 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)S1 ZINC000085411838 568986142 /nfs/dbraw/zinc/98/61/42/568986142.db2.gz LPOFSJAKTQUDBK-QGZVFWFLSA-N 0 0 409.477 5.977 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000085411996 568986124 /nfs/dbraw/zinc/98/61/24/568986124.db2.gz OEKNJISUYSTUHL-KRWDZBQOSA-N 0 0 410.370 6.265 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000085411999 568986155 /nfs/dbraw/zinc/98/61/55/568986155.db2.gz OEKNJISUYSTUHL-QGZVFWFLSA-N 0 0 410.370 6.265 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccccc3F)cc2)S1 ZINC000085412256 568986264 /nfs/dbraw/zinc/98/62/64/568986264.db2.gz LYJNKEJWRFZTBD-FQEVSTJZSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3F)cc2)S1 ZINC000085412258 568986296 /nfs/dbraw/zinc/98/62/96/568986296.db2.gz LYJNKEJWRFZTBD-HXUWFJFHSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2F)S1 ZINC000085412265 568986251 /nfs/dbraw/zinc/98/62/51/568986251.db2.gz XIEAMKGPTGTQND-FQEVSTJZSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2F)S1 ZINC000085412269 568986330 /nfs/dbraw/zinc/98/63/30/568986330.db2.gz XIEAMKGPTGTQND-HXUWFJFHSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000085412280 568986205 /nfs/dbraw/zinc/98/62/05/568986205.db2.gz UNKLHDHNRAKKFA-FQEVSTJZSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000085412282 568986197 /nfs/dbraw/zinc/98/61/97/568986197.db2.gz UNKLHDHNRAKKFA-HXUWFJFHSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccc(F)cc2)S1 ZINC000085412354 568986281 /nfs/dbraw/zinc/98/62/81/568986281.db2.gz RWZPEQJKRRWZMG-FQEVSTJZSA-N 0 0 411.502 5.362 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccc(F)cc2)S1 ZINC000085412357 568986192 /nfs/dbraw/zinc/98/61/92/568986192.db2.gz RWZPEQJKRRWZMG-HXUWFJFHSA-N 0 0 411.502 5.362 50 0 HKAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC(C)C ZINC000085412754 568986411 /nfs/dbraw/zinc/98/64/11/568986411.db2.gz QVIHIQJQMDOQBK-FQEVSTJZSA-N 0 0 415.559 5.364 50 0 HKAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC(C)C ZINC000085412759 568986427 /nfs/dbraw/zinc/98/64/27/568986427.db2.gz QVIHIQJQMDOQBK-HXUWFJFHSA-N 0 0 415.559 5.364 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1 ZINC000085414339 568987011 /nfs/dbraw/zinc/98/70/11/568987011.db2.gz YAUOJCTWISMXDK-UHFFFAOYSA-N 0 0 413.304 6.115 50 0 HKAARN COc1ccc([C@@H]2c3cc(Cl)c4ccccc4c3Oc3ncnc(N)c32)cc1OC ZINC000085417154 568986828 /nfs/dbraw/zinc/98/68/28/568986828.db2.gz CYRIWOWLILLWTM-LJQANCHMSA-N 0 0 419.868 5.169 50 0 HKAARN COc1ccc([C@H]2c3cc(Cl)c4ccccc4c3Oc3ncnc(N)c32)cc1OC ZINC000085417158 568986814 /nfs/dbraw/zinc/98/68/14/568986814.db2.gz CYRIWOWLILLWTM-IBGZPJMESA-N 0 0 419.868 5.169 50 0 HKAARN Clc1ccccc1-c1ccc2nc(-c3ccccc3)c(CN3CCOCC3)n2c1 ZINC000085421376 568987764 /nfs/dbraw/zinc/98/77/64/568987764.db2.gz DGBBBFRAXSXPEE-UHFFFAOYSA-N 0 0 403.913 5.154 50 0 HKAARN Cc1ccccc1-n1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1C(C)C ZINC000085421625 568987855 /nfs/dbraw/zinc/98/78/55/568987855.db2.gz XDSMFTGOPHFCRQ-UHFFFAOYSA-N 0 0 420.582 5.227 50 0 HKAARN Cc1cc(C)c(Cn2nnc3c2c(-c2ccccc2)nnc3-c2ccccc2)c(C)c1 ZINC000085423580 568987692 /nfs/dbraw/zinc/98/76/92/568987692.db2.gz KCYSOMFJHRFOAH-UHFFFAOYSA-N 0 0 405.505 5.529 50 0 HKAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)c1ccccc1)CC(C)(C)CC3 ZINC000085425896 568987679 /nfs/dbraw/zinc/98/76/79/568987679.db2.gz QKUQRFWZCUVNSZ-UHFFFAOYSA-N 0 0 408.523 5.240 50 0 HKAARN COc1ccc([C@@H]2[C@@H](C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000085428921 568989142 /nfs/dbraw/zinc/98/91/42/568989142.db2.gz PLONLJTTXZOZJN-FCHUYYIVSA-N 0 0 421.443 5.724 50 0 HKAARN O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)c1ccc(Cl)cc1Cl ZINC000085430289 559056961 /nfs/dbraw/zinc/05/69/61/559056961.db2.gz BGBHEGVGSOATFV-UHFFFAOYSA-N 0 0 419.333 5.185 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1CCO ZINC000085430332 559056992 /nfs/dbraw/zinc/05/69/92/559056992.db2.gz KJAORDDIWGODLW-QHCPKHFHSA-N 0 0 402.881 5.026 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1CCO ZINC000085430333 559056954 /nfs/dbraw/zinc/05/69/54/559056954.db2.gz KJAORDDIWGODLW-HSZRJFAPSA-N 0 0 402.881 5.026 50 0 HKAARN Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CCO)c1-c1ccc(Cl)cc1 ZINC000085430343 559056985 /nfs/dbraw/zinc/05/69/85/559056985.db2.gz VLRCAURHGNDHNF-DEOSSOPVSA-N 0 0 416.908 5.036 50 0 HKAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CCO)c1-c1ccc(Cl)cc1 ZINC000085430345 559057004 /nfs/dbraw/zinc/05/70/04/559057004.db2.gz VLRCAURHGNDHNF-XMMPIXPASA-N 0 0 416.908 5.036 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2CCCOC(C)C)c1 ZINC000085430350 559056997 /nfs/dbraw/zinc/05/69/97/559056997.db2.gz MZSANBIGXXXPHT-QFIPXVFZSA-N 0 0 406.526 5.322 50 0 HKAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2CCCOC(C)C)c1 ZINC000085430352 559057002 /nfs/dbraw/zinc/05/70/02/559057002.db2.gz MZSANBIGXXXPHT-JOCHJYFZSA-N 0 0 406.526 5.322 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc3ccccc3c2)N1CCO ZINC000085430417 559056978 /nfs/dbraw/zinc/05/69/78/559056978.db2.gz BHZLWJXYQNMISX-MHZLTWQESA-N 0 0 418.496 5.526 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc3ccccc3c2)N1CCO ZINC000085430419 559057008 /nfs/dbraw/zinc/05/70/08/559057008.db2.gz BHZLWJXYQNMISX-HHHXNRCGSA-N 0 0 418.496 5.526 50 0 HKAARN O=C1c2ccccc2[C@@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1CCCO ZINC000085430424 559056999 /nfs/dbraw/zinc/05/69/99/559056999.db2.gz QXSIGKLKBWUMRH-DEOSSOPVSA-N 0 0 416.908 5.416 50 0 HKAARN O=C1c2ccccc2[C@H](c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)N1CCCO ZINC000085430426 559056964 /nfs/dbraw/zinc/05/69/64/559056964.db2.gz QXSIGKLKBWUMRH-XMMPIXPASA-N 0 0 416.908 5.416 50 0 HKAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccc(C)cc1 ZINC000085434151 559056981 /nfs/dbraw/zinc/05/69/81/559056981.db2.gz ICOLARHHHROGNC-HAHDFKILSA-N 0 0 412.489 5.260 50 0 HKAARN COc1ccc2c(c1)nc(SCc1c(F)cccc1Cl)cc2C(F)(F)F ZINC000085565126 569000883 /nfs/dbraw/zinc/00/08/83/569000883.db2.gz YQXGDWARHORNQM-UHFFFAOYSA-N 0 0 401.812 6.347 50 0 HKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000085565167 569000834 /nfs/dbraw/zinc/00/08/34/569000834.db2.gz OOVOQJVBCXLCPQ-UHFFFAOYSA-N 0 0 415.320 7.035 50 0 HKAARN Cc1ccc2ccc3cc(C(=O)N[C@@H](C)CC45CC6CC(CC(C6)C4)C5)[nH]c3c2n1 ZINC000085577787 569002337 /nfs/dbraw/zinc/00/23/37/569002337.db2.gz UQCOHEIEFUNDEN-BTVKBFDZSA-N 0 0 401.554 5.749 50 0 HKAARN Cc1ccc2ccc3cc(C(=O)N[C@H](C)CC45CC6CC(CC(C6)C4)C5)[nH]c3c2n1 ZINC000085577789 569002335 /nfs/dbraw/zinc/00/23/35/569002335.db2.gz UQCOHEIEFUNDEN-KRGUIMPISA-N 0 0 401.554 5.749 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000085590933 569002611 /nfs/dbraw/zinc/00/26/11/569002611.db2.gz PKZIJBDXXPDCHS-UHFFFAOYSA-N 0 0 419.912 6.703 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000085590954 569002786 /nfs/dbraw/zinc/00/27/86/569002786.db2.gz GLGROHBXQSDIKS-UHFFFAOYSA-N 0 0 403.913 7.003 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000085590975 569002810 /nfs/dbraw/zinc/00/28/10/569002810.db2.gz QUBZKVZGIDITEI-UHFFFAOYSA-N 0 0 403.913 7.003 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000085590987 569002784 /nfs/dbraw/zinc/00/27/84/569002784.db2.gz YICZTJJBMYHTCD-UHFFFAOYSA-N 0 0 403.913 7.003 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000085590990 569002721 /nfs/dbraw/zinc/00/27/21/569002721.db2.gz IXRJEUXVIHRYQM-UHFFFAOYSA-N 0 0 423.438 7.060 50 0 HKAARN CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4)no3)o2)cc1 ZINC000085644028 569005230 /nfs/dbraw/zinc/00/52/30/569005230.db2.gz GQBBKDYUIXOOMK-UHFFFAOYSA-N 0 0 422.506 5.169 50 0 HKAARN Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4cc(C)c(C)cc4C)o3)n2)c1 ZINC000085644092 569005240 /nfs/dbraw/zinc/00/52/40/569005240.db2.gz FJYDVEXBEZPTMZ-UHFFFAOYSA-N 0 0 422.506 5.204 50 0 HKAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4cc(C)c(C)cc4C)o3)n2)cc1 ZINC000085644098 569005235 /nfs/dbraw/zinc/00/52/35/569005235.db2.gz ZXCQSARAFFDSGW-UHFFFAOYSA-N 0 0 422.506 5.204 50 0 HKAARN Cc1cccc(-c2nccc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)n2)c1 ZINC000085649092 569005539 /nfs/dbraw/zinc/00/55/39/569005539.db2.gz AYPFHTOTAJSBMH-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1cccc(-c2nccc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)c1 ZINC000085649101 569005545 /nfs/dbraw/zinc/00/55/45/569005545.db2.gz BSBMHQSETMLEDQ-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(F)cc4)n3)CC2)cc1Cl ZINC000085649175 569005562 /nfs/dbraw/zinc/00/55/62/569005562.db2.gz KVXJDBHOTAJFKC-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)n2)cc1 ZINC000085649251 569005603 /nfs/dbraw/zinc/00/56/03/569005603.db2.gz KVSLBBZIZKLCPC-UHFFFAOYSA-N 0 0 420.944 5.269 50 0 HKAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2)cc1 ZINC000085649270 569005565 /nfs/dbraw/zinc/00/55/65/569005565.db2.gz WXQVGOLKXBXEIT-UHFFFAOYSA-N 0 0 424.907 5.100 50 0 HKAARN CCCCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000085649330 569005597 /nfs/dbraw/zinc/00/55/97/569005597.db2.gz XCSNLLOMWZVSIP-UHFFFAOYSA-N 0 0 414.553 5.341 50 0 HKAARN Cc1cccc(-c2nccc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)n2)c1 ZINC000085649363 569005573 /nfs/dbraw/zinc/00/55/73/569005573.db2.gz SBXBPONHSHBWLL-UHFFFAOYSA-N 0 0 400.526 5.600 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000085649371 569005608 /nfs/dbraw/zinc/00/56/08/569005608.db2.gz GQHOTLOFASOIOU-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649408 569005617 /nfs/dbraw/zinc/00/56/17/569005617.db2.gz BPZZZRFTQXKEBK-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649416 569005567 /nfs/dbraw/zinc/00/55/67/569005567.db2.gz IEBXUJOXZYADHP-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649421 569005580 /nfs/dbraw/zinc/00/55/80/569005580.db2.gz NRWOGKFLVHYGDK-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649429 569005605 /nfs/dbraw/zinc/00/56/05/569005605.db2.gz XBZUAEYSJOSSLH-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649436 569005615 /nfs/dbraw/zinc/00/56/15/569005615.db2.gz ASEOFVUOXSDVMA-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1C ZINC000085649455 569005529 /nfs/dbraw/zinc/00/55/29/569005529.db2.gz KNLUXXKPMVFUJP-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649459 569005543 /nfs/dbraw/zinc/00/55/43/569005543.db2.gz YNVFTUXJDDVZMT-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649486 569005564 /nfs/dbraw/zinc/00/55/64/569005564.db2.gz PEASZZUGSALHCG-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649488 569005569 /nfs/dbraw/zinc/00/55/69/569005569.db2.gz CFNXMDFNKCFDMQ-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c(C)c1 ZINC000085649498 569005631 /nfs/dbraw/zinc/00/56/31/569005631.db2.gz QLUYHYFSHCZBKM-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccccc1CNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649530 569005663 /nfs/dbraw/zinc/00/56/63/569005663.db2.gz DTWFSFAZTVGOJQ-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649534 569005639 /nfs/dbraw/zinc/00/56/39/569005639.db2.gz HPJDBGWMVVXYPM-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649547 569005626 /nfs/dbraw/zinc/00/56/26/569005626.db2.gz PHHKPYMVEDUABP-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649561 569005632 /nfs/dbraw/zinc/00/56/32/569005632.db2.gz QNNHCXKPMWJBDO-UHFFFAOYSA-N 0 0 412.468 5.299 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)n2)cc1 ZINC000085649581 569005643 /nfs/dbraw/zinc/00/56/43/569005643.db2.gz UYMJXRHUKVBHDB-UHFFFAOYSA-N 0 0 400.526 5.648 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649583 569005633 /nfs/dbraw/zinc/00/56/33/569005633.db2.gz KJAQFJQKGZEVGD-UHFFFAOYSA-N 0 0 408.505 6.010 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000085649586 569005630 /nfs/dbraw/zinc/00/56/30/569005630.db2.gz QMVYIUGDDFWSQZ-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 ZINC000085649589 569005619 /nfs/dbraw/zinc/00/56/19/569005619.db2.gz XBOPZUTXNAHOEQ-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)c1 ZINC000085649592 569005644 /nfs/dbraw/zinc/00/56/44/569005644.db2.gz PGVSZWIKHPPLCD-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 ZINC000085649603 569005642 /nfs/dbraw/zinc/00/56/42/569005642.db2.gz HPBIVEIWCCZRJQ-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649607 569005658 /nfs/dbraw/zinc/00/56/58/569005658.db2.gz YOFNQBPTAZYXFS-UHFFFAOYSA-N 0 0 424.504 5.847 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)n2)cc1 ZINC000085649610 569005662 /nfs/dbraw/zinc/00/56/62/569005662.db2.gz QWEYSJAMEYJFNN-UHFFFAOYSA-N 0 0 422.532 6.571 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 ZINC000085649612 569005653 /nfs/dbraw/zinc/00/56/53/569005653.db2.gz FBYRSHNSJVYSMK-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000085649617 569005657 /nfs/dbraw/zinc/00/56/57/569005657.db2.gz AFXQNIFFFBVEEN-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000085649643 569005621 /nfs/dbraw/zinc/00/56/21/569005621.db2.gz JEALQRZPXXJOJQ-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649645 569005641 /nfs/dbraw/zinc/00/56/41/569005641.db2.gz PZXQDNDMKJQRDV-UHFFFAOYSA-N 0 0 410.477 5.457 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)n2)cc1 ZINC000085649647 569005654 /nfs/dbraw/zinc/00/56/54/569005654.db2.gz XVRSWZZDSDOFJO-UHFFFAOYSA-N 0 0 408.505 6.065 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)n2)cc1 ZINC000085649660 569005624 /nfs/dbraw/zinc/00/56/24/569005624.db2.gz KTPMTGKCTKBYQR-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccccc4C)cc3)n2)cc1 ZINC000085649664 569005635 /nfs/dbraw/zinc/00/56/35/569005635.db2.gz ZZTQPJMMNFWOEJ-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCCCc4ccccc4)cc3)n2)cc1 ZINC000085649671 569005651 /nfs/dbraw/zinc/00/56/51/569005651.db2.gz NFVAHNNHOLQWDE-UHFFFAOYSA-N 0 0 422.532 5.558 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649674 569005637 /nfs/dbraw/zinc/00/56/37/569005637.db2.gz RYIDRQNETDRKLS-UHFFFAOYSA-N 0 0 408.505 5.434 50 0 HKAARN COc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)c1 ZINC000085649678 569005625 /nfs/dbraw/zinc/00/56/25/569005625.db2.gz LPYUQKSHRHKRMY-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN COc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649680 569005705 /nfs/dbraw/zinc/00/57/05/569005705.db2.gz RLRMWWDGCNTMRC-UHFFFAOYSA-N 0 0 424.504 5.134 50 0 HKAARN O=C(NC1CCCCCC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649691 569005718 /nfs/dbraw/zinc/00/57/18/569005718.db2.gz SBVGFAZAUYBKEK-UHFFFAOYSA-N 0 0 404.489 5.479 50 0 HKAARN CCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649701 569005674 /nfs/dbraw/zinc/00/56/74/569005674.db2.gz VMGUBPDVNQQHGG-UHFFFAOYSA-N 0 0 412.468 5.841 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000085649705 569005708 /nfs/dbraw/zinc/00/57/08/569005708.db2.gz ROBDLPISORLXLA-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1cccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000085649710 569005683 /nfs/dbraw/zinc/00/56/83/569005683.db2.gz CONAWBLQWDDTKM-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1cccc(F)c1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649713 569005693 /nfs/dbraw/zinc/00/56/93/569005693.db2.gz DLGFDDXRFNVQIJ-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649716 569005701 /nfs/dbraw/zinc/00/57/01/569005701.db2.gz IPCHCXQIJZFFTN-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1C ZINC000085649728 569005670 /nfs/dbraw/zinc/00/56/70/569005670.db2.gz ADJQWTISHSCTDE-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN COc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649729 569005720 /nfs/dbraw/zinc/00/57/20/569005720.db2.gz HUKWYSVDRMUBRA-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649740 569005688 /nfs/dbraw/zinc/00/56/88/569005688.db2.gz YXQSPQVMUCJVHT-UHFFFAOYSA-N 0 0 402.404 5.418 50 0 HKAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649749 569005672 /nfs/dbraw/zinc/00/56/72/569005672.db2.gz YWRUIIYGPPEPHZ-UHFFFAOYSA-N 0 0 420.394 5.557 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649757 569005669 /nfs/dbraw/zinc/00/56/69/569005669.db2.gz KXDGDWULBDCPAI-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649759 569005689 /nfs/dbraw/zinc/00/56/89/569005689.db2.gz QDFJYBAZAVEWQD-UHFFFAOYSA-N 0 0 414.440 5.287 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c(C)c1 ZINC000085649767 569005694 /nfs/dbraw/zinc/00/56/94/569005694.db2.gz VEAWQJKCZJSTEH-UHFFFAOYSA-N 0 0 412.468 5.895 50 0 HKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649792 569005719 /nfs/dbraw/zinc/00/57/19/569005719.db2.gz MTHDUQJQPZYVPW-UHFFFAOYSA-N 0 0 412.468 5.265 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649830 569005684 /nfs/dbraw/zinc/00/56/84/569005684.db2.gz DUPXTQBNUUVPNK-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN CCCCc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649834 569005681 /nfs/dbraw/zinc/00/56/81/569005681.db2.gz OZAIVPPHZWUZME-UHFFFAOYSA-N 0 0 422.532 6.482 50 0 HKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1Cl ZINC000085649836 569005709 /nfs/dbraw/zinc/00/57/09/569005709.db2.gz HEXNEAZLINSQNX-UHFFFAOYSA-N 0 0 414.896 6.101 50 0 HKAARN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649841 569005673 /nfs/dbraw/zinc/00/56/73/569005673.db2.gz KGKRPGIGVCYNRF-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN CCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649843 569005692 /nfs/dbraw/zinc/00/56/92/569005692.db2.gz YHYIDWMDWQYSLF-UHFFFAOYSA-N 0 0 410.477 5.538 50 0 HKAARN CC(C)c1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649850 569005671 /nfs/dbraw/zinc/00/56/71/569005671.db2.gz URXUFIBFHCTXBF-UHFFFAOYSA-N 0 0 408.505 6.263 50 0 HKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649867 569005685 /nfs/dbraw/zinc/00/56/85/569005685.db2.gz FTUVAKZXYVTIAE-UHFFFAOYSA-N 0 0 418.859 5.932 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649871 569005680 /nfs/dbraw/zinc/00/56/80/569005680.db2.gz ADBASYLHCQBWMD-UHFFFAOYSA-N 0 0 400.869 5.793 50 0 HKAARN COc1cccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649875 569005713 /nfs/dbraw/zinc/00/57/13/569005713.db2.gz NKZLEBARBPJGLM-SFHVURJKSA-N 0 0 424.504 5.387 50 0 HKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649877 569005714 /nfs/dbraw/zinc/00/57/14/569005714.db2.gz NKZLEBARBPJGLM-GOSISDBHSA-N 0 0 424.504 5.387 50 0 HKAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649891 569005695 /nfs/dbraw/zinc/00/56/95/569005695.db2.gz RYYFYCNJONRWLD-LJQANCHMSA-N 0 0 408.505 5.687 50 0 HKAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649893 569005707 /nfs/dbraw/zinc/00/57/07/569005707.db2.gz RYYFYCNJONRWLD-IBGZPJMESA-N 0 0 408.505 5.687 50 0 HKAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649898 569005706 /nfs/dbraw/zinc/00/57/06/569005706.db2.gz ZGHCVBAUWCBKHK-UHFFFAOYSA-N 0 0 414.896 5.471 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649905 569005696 /nfs/dbraw/zinc/00/56/96/569005696.db2.gz MAEGZDBSPATFDI-FQEVSTJZSA-N 0 0 422.532 5.638 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649907 569005676 /nfs/dbraw/zinc/00/56/76/569005676.db2.gz MAEGZDBSPATFDI-HXUWFJFHSA-N 0 0 422.532 5.638 50 0 HKAARN CC(C)c1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649912 569005679 /nfs/dbraw/zinc/00/56/79/569005679.db2.gz AURZYPOQLUIBRW-UHFFFAOYSA-N 0 0 422.532 5.941 50 0 HKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000085650249 569005566 /nfs/dbraw/zinc/00/55/66/569005566.db2.gz DARWOVWNEGCYLM-UHFFFAOYSA-N 0 0 407.417 5.645 50 0 HKAARN COc1ccc(Nc2nc(C(=O)N[C@@H](C)CCc3ccccc3)cc3occc32)cc1 ZINC000085651137 569005884 /nfs/dbraw/zinc/00/58/84/569005884.db2.gz YGTIJUVVTXNPDP-KRWDZBQOSA-N 0 0 415.493 5.331 50 0 HKAARN COc1ccc(Nc2nc(C(=O)N[C@H](C)CCc3ccccc3)cc3occc32)cc1 ZINC000085651139 569005881 /nfs/dbraw/zinc/00/58/81/569005881.db2.gz YGTIJUVVTXNPDP-QGZVFWFLSA-N 0 0 415.493 5.331 50 0 HKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651183 569005869 /nfs/dbraw/zinc/00/58/69/569005869.db2.gz UYXQAZLBYFRBGJ-INIZCTEOSA-N 0 0 419.912 5.976 50 0 HKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651184 569005863 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CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccccc2C)c1C ZINC000085711114 569007127 /nfs/dbraw/zinc/00/71/27/569007127.db2.gz MYKSOSNAJCCKAU-UHFFFAOYSA-N 0 0 418.537 5.268 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(C)c2)c1C ZINC000085711117 569007138 /nfs/dbraw/zinc/00/71/38/569007138.db2.gz BDVKSTRPEXGZIU-UHFFFAOYSA-N 0 0 418.537 5.268 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(C)cc2)c1C ZINC000085711121 569007147 /nfs/dbraw/zinc/00/71/47/569007147.db2.gz FJPCSGUSIHLUOJ-UHFFFAOYSA-N 0 0 418.537 5.268 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)C2CCCCC2)c1C ZINC000085711127 569007130 /nfs/dbraw/zinc/00/71/30/569007130.db2.gz ZCMWVGKOEWIYAA-UHFFFAOYSA-N 0 0 410.558 5.226 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)CC2CCCC2)c1C ZINC000085711134 569007107 /nfs/dbraw/zinc/00/71/07/569007107.db2.gz ORJDBELMIYLWCW-UHFFFAOYSA-N 0 0 410.558 5.226 50 0 HKAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000085711160 569007114 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/nfs/dbraw/zinc/89/71/23/560897123.db2.gz PLLIGSNNFCSCDB-UHFFFAOYSA-N 0 0 421.884 6.150 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)c1 ZINC000085807996 560897107 /nfs/dbraw/zinc/89/71/07/560897107.db2.gz DLFAYLJAXGOGET-UHFFFAOYSA-N 0 0 421.884 6.150 50 0 HKAARN COC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000085808029 560897109 /nfs/dbraw/zinc/89/71/09/560897109.db2.gz GSKXJFGDJCLEDF-UHFFFAOYSA-N 0 0 419.868 5.919 50 0 HKAARN COc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)c(OC)c1 ZINC000085808037 560897136 /nfs/dbraw/zinc/89/71/36/560897136.db2.gz PYSKQCMGEONYKS-UHFFFAOYSA-N 0 0 421.884 6.150 50 0 HKAARN COc1cc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc(OC)c1 ZINC000085808042 560897072 /nfs/dbraw/zinc/89/70/72/560897072.db2.gz FHKSYSLBXGZVSX-UHFFFAOYSA-N 0 0 421.884 6.150 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000085808048 560897134 /nfs/dbraw/zinc/89/71/34/560897134.db2.gz MBDBSVQNEDDXHR-UHFFFAOYSA-N 0 0 405.841 5.861 50 0 HKAARN COC(=O)c1cccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)c1 ZINC000085808058 560897188 /nfs/dbraw/zinc/89/71/88/560897188.db2.gz XHUARFWOZUFGHQ-UHFFFAOYSA-N 0 0 419.868 5.919 50 0 HKAARN COc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1OC ZINC000085808107 560897213 /nfs/dbraw/zinc/89/72/13/560897213.db2.gz OSQDSDWIQHCHCZ-UHFFFAOYSA-N 0 0 405.429 5.635 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000085808113 560897198 /nfs/dbraw/zinc/89/71/98/560897198.db2.gz ZGGLTWNGSAZEJU-UHFFFAOYSA-N 0 0 409.848 6.280 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)c1 ZINC000085808119 560897228 /nfs/dbraw/zinc/89/72/28/560897228.db2.gz UUFSGVPCAMOKTB-UHFFFAOYSA-N 0 0 405.429 5.635 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000085808147 560897205 /nfs/dbraw/zinc/89/72/05/560897205.db2.gz MUTCOPDTQQCPPM-UHFFFAOYSA-N 0 0 424.273 6.381 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000085808159 560897212 /nfs/dbraw/zinc/89/72/12/560897212.db2.gz PTALIRALUNUGCB-UHFFFAOYSA-N 0 0 424.273 6.381 50 0 HKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000085808173 560897076 /nfs/dbraw/zinc/89/70/76/560897076.db2.gz WKEGZBJZVGKAKX-UHFFFAOYSA-N 0 0 413.374 6.637 50 0 HKAARN COc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)c(OC)c1 ZINC000085808198 560897142 /nfs/dbraw/zinc/89/71/42/560897142.db2.gz HDGNJXUJNHKTGS-UHFFFAOYSA-N 0 0 405.429 5.635 50 0 HKAARN COc1cc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc(OC)c1 ZINC000085808204 560897086 /nfs/dbraw/zinc/89/70/86/560897086.db2.gz TZIWREDEFDPJHK-UHFFFAOYSA-N 0 0 405.429 5.635 50 0 HKAARN COc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1OC ZINC000085808273 560897216 /nfs/dbraw/zinc/89/72/16/560897216.db2.gz BORDMRLMGNHTRH-UHFFFAOYSA-N 0 0 401.466 5.805 50 0 HKAARN COc1ccc(Cl)cc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000085808278 560897223 /nfs/dbraw/zinc/89/72/23/560897223.db2.gz DGPWRRYPUXRANB-UHFFFAOYSA-N 0 0 405.885 6.449 50 0 HKAARN COc1ccc(OC)c(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)c1 ZINC000085808286 560897208 /nfs/dbraw/zinc/89/72/08/560897208.db2.gz KIGAJGFGVFUSOP-UHFFFAOYSA-N 0 0 401.466 5.805 50 0 HKAARN CCOC(=O)c1ccccc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000085808295 560897234 /nfs/dbraw/zinc/89/72/34/560897234.db2.gz YEFOFMWWWKLVTG-UHFFFAOYSA-N 0 0 413.477 5.964 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccccc2Br)cc1 ZINC000085808305 560897295 /nfs/dbraw/zinc/89/72/95/560897295.db2.gz OHXZLKHOOZDHMS-UHFFFAOYSA-N 0 0 420.310 6.550 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Br)c2)cc1 ZINC000085808315 560897302 /nfs/dbraw/zinc/89/73/02/560897302.db2.gz FISKXTDWFFKZAA-UHFFFAOYSA-N 0 0 420.310 6.550 50 0 HKAARN CCOC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1 ZINC000085808319 560897278 /nfs/dbraw/zinc/89/72/78/560897278.db2.gz WXCYNGUNBYGWSP-UHFFFAOYSA-N 0 0 413.477 5.964 50 0 HKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000085808331 560897311 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CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000085808441 560897207 /nfs/dbraw/zinc/89/72/07/560897207.db2.gz GFWUKRPANWHQHK-UHFFFAOYSA-N 0 0 415.493 6.059 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000085808454 560897195 /nfs/dbraw/zinc/89/71/95/560897195.db2.gz QICQTPXEBAXQNP-UHFFFAOYSA-N 0 0 413.477 5.828 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000085808458 560897218 /nfs/dbraw/zinc/89/72/18/560897218.db2.gz FBLQYMODPXFEIW-UHFFFAOYSA-N 0 0 415.493 6.059 50 0 HKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000085808463 560897319 /nfs/dbraw/zinc/89/73/19/560897319.db2.gz JZMSQYHTQXORTO-UHFFFAOYSA-N 0 0 415.493 6.059 50 0 HKAARN CCn1c(-c2cc(NC(=O)c3ccc(C)c(Br)c3)n[nH]2)cc2ccccc21 ZINC000085824784 568455018 /nfs/dbraw/zinc/45/50/18/568455018.db2.gz RTAVQAMZQJCUPS-UHFFFAOYSA-N 0 0 423.314 5.375 50 0 HKAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3cccc4[nH]ccc43)c(=O)oc1c2C ZINC000085879068 569009766 /nfs/dbraw/zinc/00/97/66/569009766.db2.gz QAGHOQASQPZTIO-UHFFFAOYSA-N 0 0 400.434 5.127 50 0 biogenic HKAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C\c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 ZINC000085907206 569009878 /nfs/dbraw/zinc/00/98/78/569009878.db2.gz RROWJIDBOKEPEV-TVPNILDHSA-N 0 0 408.545 5.689 50 0 biogenic HKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988108 568743828 /nfs/dbraw/zinc/74/38/28/568743828.db2.gz SBSPNYIJCQTSKL-DLBZAZTESA-N 0 0 415.242 5.522 50 0 HKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988134 568743812 /nfs/dbraw/zinc/74/38/12/568743812.db2.gz UUEZFPBYCYDAJA-DLBZAZTESA-N 0 0 416.135 5.810 50 0 HKAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000085988199 569010010 /nfs/dbraw/zinc/01/00/10/569010010.db2.gz IRFSSAVFIPYCBC-MAUKXSAKSA-N 0 0 411.716 5.165 50 0 HKAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccc(Cl)cc1Cl ZINC000085988207 569010003 /nfs/dbraw/zinc/01/00/03/569010003.db2.gz KGUJNLUCSUFVID-MAUKXSAKSA-N 0 0 411.716 5.165 50 0 HKAARN CCCC[C@@H](CC)CN1C(=O)c2c(Br)sc(Br)c2C1=O ZINC000086003207 559058061 /nfs/dbraw/zinc/05/80/61/559058061.db2.gz AOZLCBYWDXFKCJ-MRVPVSSYSA-N 0 0 423.170 5.086 50 0 HKAARN CCCC[C@H](CC)CN1C(=O)c2c(Br)sc(Br)c2C1=O ZINC000086003211 559058033 /nfs/dbraw/zinc/05/80/33/559058033.db2.gz AOZLCBYWDXFKCJ-QMMMGPOBSA-N 0 0 423.170 5.086 50 0 HKAARN O=C(c1ccccc1)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000086012919 559058019 /nfs/dbraw/zinc/05/80/19/559058019.db2.gz OPZDFVSDLPAHRO-UHFFFAOYSA-N 0 0 406.550 7.246 50 0 HKAARN Cn1c2ccccc2nc1-c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000086029390 559058137 /nfs/dbraw/zinc/05/81/37/559058137.db2.gz IBOIHFPCQHFOOP-UHFFFAOYSA-N 0 0 404.538 7.013 50 0 HKAARN Cc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1-c1ccccc1 ZINC000086036959 559058280 /nfs/dbraw/zinc/05/82/80/559058280.db2.gz SCUAHDHRGREECJ-UHFFFAOYSA-N 0 0 412.514 6.480 50 0 HKAARN Brc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1 ZINC000086037117 559058269 /nfs/dbraw/zinc/05/82/69/559058269.db2.gz WAMFJXQPJPAGHX-UHFFFAOYSA-N 0 0 403.448 8.592 50 0 HKAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)C4CCCCC4)ccc32)C1 ZINC000086040366 559058409 /nfs/dbraw/zinc/05/84/09/559058409.db2.gz NIIMAXZXSSVZHA-SFHVURJKSA-N 0 0 402.542 5.132 50 0 HKAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)C4CCCCC4)ccc32)C1 ZINC000086040367 559058381 /nfs/dbraw/zinc/05/83/81/559058381.db2.gz NIIMAXZXSSVZHA-GOSISDBHSA-N 0 0 402.542 5.132 50 0 HKAARN CCCCn1c(CN2CCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000086048548 568749227 /nfs/dbraw/zinc/74/92/27/568749227.db2.gz JLCLROHFQFMUDR-UHFFFAOYSA-N 0 0 410.949 5.338 50 0 HKAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000086056786 568753760 /nfs/dbraw/zinc/75/37/60/568753760.db2.gz INHNDJNHSADTNS-UHFFFAOYSA-N 0 0 410.539 5.687 50 0 HKAARN c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000087489322 557841290 /nfs/dbraw/zinc/84/12/90/557841290.db2.gz FPMQTZDVSUPPCB-UHFFFAOYSA-N 0 0 408.504 7.881 50 0 HKAARN CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089269881 569053873 /nfs/dbraw/zinc/05/38/73/569053873.db2.gz YWJXDWCRCBBJPX-QFIPXVFZSA-N 0 0 407.901 5.293 50 0 HKAARN CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089269882 569053850 /nfs/dbraw/zinc/05/38/50/569053850.db2.gz YWJXDWCRCBBJPX-JOCHJYFZSA-N 0 0 407.901 5.293 50 0 HKAARN CCc1ccc(NC(=O)c2nnc(CN(C3CC3)[C@@H]3CCc4ccccc43)s2)cc1 ZINC000089286294 569057362 /nfs/dbraw/zinc/05/73/62/569057362.db2.gz USTVRZOGMGJYAK-OAQYLSRUSA-N 0 0 418.566 5.005 50 0 HKAARN CCc1ccc(NC(=O)c2nnc(CN(C3CC3)[C@H]3CCc4ccccc43)s2)cc1 ZINC000089286296 569057366 /nfs/dbraw/zinc/05/73/66/569057366.db2.gz USTVRZOGMGJYAK-NRFANRHFSA-N 0 0 418.566 5.005 50 0 HKAARN CCc1nc2sc(C(=O)N(C)[C@@H](C)c3sc(C(C)C)nc3C)c(C)c2c(C)n1 ZINC000089289890 569058016 /nfs/dbraw/zinc/05/80/16/569058016.db2.gz LNJBRTLLHQELSJ-AWEZNQCLSA-N 0 0 416.616 5.592 50 0 HKAARN CCc1nc2sc(C(=O)N(C)[C@H](C)c3sc(C(C)C)nc3C)c(C)c2c(C)n1 ZINC000089289891 569058084 /nfs/dbraw/zinc/05/80/84/569058084.db2.gz LNJBRTLLHQELSJ-CQSZACIVSA-N 0 0 416.616 5.592 50 0 HKAARN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2SC2CCCC2)c(Cl)c1 ZINC000089312053 569058433 /nfs/dbraw/zinc/05/84/33/569058433.db2.gz SXEXYLHXHODIQC-UHFFFAOYSA-N 0 0 417.962 5.721 50 0 HKAARN CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000089361458 569058721 /nfs/dbraw/zinc/05/87/21/569058721.db2.gz ZSPIBLFFKFGJKS-UHFFFAOYSA-N 0 0 414.811 5.184 50 0 HKAARN COC(=O)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccnc1 ZINC000089396378 569059159 /nfs/dbraw/zinc/05/91/59/569059159.db2.gz OZSSCPJBBBPHNM-OAQYLSRUSA-N 0 0 402.475 5.410 50 0 HKAARN COC(=O)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccnc1 ZINC000089396382 569059157 /nfs/dbraw/zinc/05/91/57/569059157.db2.gz OZSSCPJBBBPHNM-NRFANRHFSA-N 0 0 402.475 5.410 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@@H]2c2nccs2)n1 ZINC000089420395 569060105 /nfs/dbraw/zinc/06/01/05/569060105.db2.gz MSABYMZDRJHMSQ-QGZVFWFLSA-N 0 0 422.579 5.693 50 0 HKAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@H]2c2nccs2)n1 ZINC000089420396 569060106 /nfs/dbraw/zinc/06/01/06/569060106.db2.gz MSABYMZDRJHMSQ-KRWDZBQOSA-N 0 0 422.579 5.693 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c(OC)c1 ZINC000089434785 569060394 /nfs/dbraw/zinc/06/03/94/569060394.db2.gz LCCPPUIDSDHHPW-QFIPXVFZSA-N 0 0 417.534 5.252 50 0 HKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c(OC)c1 ZINC000089434787 569060359 /nfs/dbraw/zinc/06/03/59/569060359.db2.gz LCCPPUIDSDHHPW-JOCHJYFZSA-N 0 0 417.534 5.252 50 0 HKAARN COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000089469781 569060943 /nfs/dbraw/zinc/06/09/43/569060943.db2.gz IWLKNQLVYOQMBR-DFFJHKNISA-N 0 0 414.549 5.589 50 0 HKAARN COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000089469783 569060952 /nfs/dbraw/zinc/06/09/52/569060952.db2.gz IWLKNQLVYOQMBR-GUMMOOENSA-N 0 0 414.549 5.589 50 0 HKAARN COc1cccc(-c2nc(CN3CC=C(c4c[nH]c5ccccc54)CC3)cs2)c1 ZINC000089471382 569060985 /nfs/dbraw/zinc/06/09/85/569060985.db2.gz AEHTXNFBSLREGT-UHFFFAOYSA-N 0 0 401.535 5.589 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2cnoc2-c2ccc(Cl)cc2)n1 ZINC000089483963 569061100 /nfs/dbraw/zinc/06/11/00/569061100.db2.gz QQTUVIFRZGPNJT-UHFFFAOYSA-N 0 0 411.870 5.379 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000089526021 569064185 /nfs/dbraw/zinc/06/41/85/569064185.db2.gz ABJFTIQXFLVAFS-UHFFFAOYSA-N 0 0 414.292 5.411 50 0 HKAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 ZINC000089526210 569064174 /nfs/dbraw/zinc/06/41/74/569064174.db2.gz FPRHTRDQJGWBDF-LLVKDONJSA-N 0 0 414.552 5.266 50 0 HKAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 ZINC000089526217 569064195 /nfs/dbraw/zinc/06/41/95/569064195.db2.gz FPRHTRDQJGWBDF-NSHDSACASA-N 0 0 414.552 5.266 50 0 HKAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000089529311 569069805 /nfs/dbraw/zinc/06/98/05/569069805.db2.gz DNYLDEYAEGAOEC-UHFFFAOYSA-N 0 0 419.403 5.766 50 0 HKAARN COC(=O)c1cc(COC(=O)c2ccccc2-c2nc3ccccc3s2)oc1C ZINC000089536630 569069868 /nfs/dbraw/zinc/06/98/68/569069868.db2.gz PGQJEWYIYVFCEQ-UHFFFAOYSA-N 0 0 407.447 5.008 50 0 HKAARN C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000089552998 569070206 /nfs/dbraw/zinc/07/02/06/569070206.db2.gz XYHGJWJTGIGEMX-AWEZNQCLSA-N 0 0 423.519 5.710 50 0 HKAARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000089553000 569070175 /nfs/dbraw/zinc/07/01/75/569070175.db2.gz XYHGJWJTGIGEMX-CQSZACIVSA-N 0 0 423.519 5.710 50 0 HKAARN Cc1nc(CN(Cc2nnc(C(C)(C)C)o2)[C@@H](C)c2ccc(Cl)cc2)oc1C ZINC000089558292 569070252 /nfs/dbraw/zinc/07/02/52/569070252.db2.gz OQVXCGGZAPKPGX-AWEZNQCLSA-N 0 0 402.926 5.389 50 0 HKAARN Cc1nc(CN(Cc2nnc(C(C)(C)C)o2)[C@H](C)c2ccc(Cl)cc2)oc1C ZINC000089558296 569070274 /nfs/dbraw/zinc/07/02/74/569070274.db2.gz OQVXCGGZAPKPGX-CQSZACIVSA-N 0 0 402.926 5.389 50 0 HKAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1csc(CCc2ccccc2)n1 ZINC000089558919 569070267 /nfs/dbraw/zinc/07/02/67/569070267.db2.gz MKQOLERUOUPCKV-MRXNPFEDSA-N 0 0 413.612 5.650 50 0 HKAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1csc(CCc2ccccc2)n1 ZINC000089558923 569070247 /nfs/dbraw/zinc/07/02/47/569070247.db2.gz MKQOLERUOUPCKV-INIZCTEOSA-N 0 0 413.612 5.650 50 0 HKAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558943 569070248 /nfs/dbraw/zinc/07/02/48/569070248.db2.gz NMCMLTYXZDZNPJ-GFCCVEGCSA-N 0 0 400.375 5.513 50 0 HKAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000089558947 569070259 /nfs/dbraw/zinc/07/02/59/569070259.db2.gz NMCMLTYXZDZNPJ-LBPRGKRZSA-N 0 0 400.375 5.513 50 0 HKAARN COC(=O)c1cc2ccccc2cc1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000089562846 569070287 /nfs/dbraw/zinc/07/02/87/569070287.db2.gz WOXAEHISMUFYER-UHFFFAOYSA-N 0 0 408.504 5.372 50 0 HKAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574037 569070456 /nfs/dbraw/zinc/07/04/56/569070456.db2.gz INFSSCCIZVHUAZ-FQEVSTJZSA-N 0 0 421.544 5.951 50 0 HKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574038 569070417 /nfs/dbraw/zinc/07/04/17/569070417.db2.gz INFSSCCIZVHUAZ-HXUWFJFHSA-N 0 0 421.544 5.951 50 0 HKAARN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(C)n1CC(F)(F)F ZINC000089575702 569070429 /nfs/dbraw/zinc/07/04/29/569070429.db2.gz RAMYFTICCWPUMO-UHFFFAOYSA-N 0 0 413.871 5.563 50 0 HKAARN Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000089610756 569261175 /nfs/dbraw/zinc/26/11/75/569261175.db2.gz JKJDNNZMDMRFRB-ZWNOBZJWSA-N 0 0 423.382 5.346 50 0 HKAARN Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000089610758 569261252 /nfs/dbraw/zinc/26/12/52/569261252.db2.gz JKJDNNZMDMRFRB-GXFFZTMASA-N 0 0 423.382 5.346 50 0 HKAARN Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000089610760 569261222 /nfs/dbraw/zinc/26/12/22/569261222.db2.gz JKJDNNZMDMRFRB-MFKMUULPSA-N 0 0 423.382 5.346 50 0 HKAARN Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000089610763 569261290 /nfs/dbraw/zinc/26/12/90/569261290.db2.gz JKJDNNZMDMRFRB-GWCFXTLKSA-N 0 0 423.382 5.346 50 0 HKAARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cn1 ZINC000089623580 569261319 /nfs/dbraw/zinc/26/13/19/569261319.db2.gz VLUIVGXJNXMDHK-UHFFFAOYSA-N 0 0 421.884 5.588 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(C)c3)C2)cc1 ZINC000089632072 569261511 /nfs/dbraw/zinc/26/15/11/569261511.db2.gz IOCOFNSLPBJXJQ-DEOSSOPVSA-N 0 0 404.535 5.152 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000089632074 569261536 /nfs/dbraw/zinc/26/15/36/569261536.db2.gz IOCOFNSLPBJXJQ-XMMPIXPASA-N 0 0 404.535 5.152 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000089632084 569261425 /nfs/dbraw/zinc/26/14/25/569261425.db2.gz JYDMCYWBZQFGFY-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000089632086 569261486 /nfs/dbraw/zinc/26/14/86/569261486.db2.gz JYDMCYWBZQFGFY-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000089632127 569261451 /nfs/dbraw/zinc/26/14/51/569261451.db2.gz YQYRVZFUJAFNQX-XXBNENTESA-N 0 0 407.558 5.386 50 0 HKAARN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000089632129 569261496 /nfs/dbraw/zinc/26/14/96/569261496.db2.gz YQYRVZFUJAFNQX-AUSIDOKSSA-N 0 0 407.558 5.386 50 0 HKAARN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000089632131 569261475 /nfs/dbraw/zinc/26/14/75/569261475.db2.gz YQYRVZFUJAFNQX-CVDCTZTESA-N 0 0 407.558 5.386 50 0 HKAARN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000089632133 569261453 /nfs/dbraw/zinc/26/14/53/569261453.db2.gz YQYRVZFUJAFNQX-WMZHIEFXSA-N 0 0 407.558 5.386 50 0 HKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 ZINC000089640959 569261735 /nfs/dbraw/zinc/26/17/35/569261735.db2.gz YKRQSZFCILUPST-UHFFFAOYSA-N 0 0 423.538 5.871 50 0 HKAARN Cc1ccc(-c2nnc(CCC(=O)N3CCCc4cc(Cl)cc(Cl)c43)o2)cc1 ZINC000089642608 569261731 /nfs/dbraw/zinc/26/17/31/569261731.db2.gz YJKSUWRZYNJQDX-UHFFFAOYSA-N 0 0 416.308 5.264 50 0 HKAARN CC(=O)N(c1nc(CSc2ccc(N)cc2Cl)cs1)c1ccc(C)c(C)c1 ZINC000089643213 569261701 /nfs/dbraw/zinc/26/17/01/569261701.db2.gz VGOIQEIOMUCLIW-UHFFFAOYSA-N 0 0 417.987 5.972 50 0 HKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)cc2)n1 ZINC000089646792 569261682 /nfs/dbraw/zinc/26/16/82/569261682.db2.gz CYAGOFBFZJJUKF-UHFFFAOYSA-N 0 0 420.513 5.397 50 0 HKAARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccccc2C(F)(F)F)c1 ZINC000089652265 558886007 /nfs/dbraw/zinc/88/60/07/558886007.db2.gz JCWXVAKVUXJWDC-UHFFFAOYSA-N 0 0 407.823 5.523 50 0 HKAARN Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccsc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000089657559 569261825 /nfs/dbraw/zinc/26/18/25/569261825.db2.gz YHEYRMGAISCYFA-IBGZPJMESA-N 0 0 421.909 5.843 50 0 HKAARN Cc1ccc2nc(Cl)c([C@H]3CC(c4ccsc4)=NN3C(=O)c3ccco3)cc2c1 ZINC000089657562 569261796 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O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000091695591 559073230 /nfs/dbraw/zinc/07/32/30/559073230.db2.gz PCKBMGADWGLCEH-UHFFFAOYSA-N 0 0 411.210 6.327 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000091695619 559073219 /nfs/dbraw/zinc/07/32/19/559073219.db2.gz XQGBYJANZBXJPI-UHFFFAOYSA-N 0 0 411.210 6.327 50 0 HKAARN COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(C(=O)OC)cc3)n2)cc1 ZINC000091695627 559073170 /nfs/dbraw/zinc/07/31/70/559073170.db2.gz ABYOIKUROGOTRP-UHFFFAOYSA-N 0 0 415.367 5.008 50 0 HKAARN COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(-c3cccc(C(=O)OC)c3)n2)c1 ZINC000091695629 559073225 /nfs/dbraw/zinc/07/32/25/559073225.db2.gz QRGNFQLUPDIZLI-UHFFFAOYSA-N 0 0 415.367 5.008 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl ZINC000091695655 559073168 /nfs/dbraw/zinc/07/31/68/559073168.db2.gz LHXMCKSBLWZPAD-UHFFFAOYSA-N 0 0 401.175 5.351 50 0 HKAARN FC(F)(F)c1cnc(-c2ccnc(SCc3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000091695737 559073241 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HKAARN O=C(CCn1ccc2c1cccc2Cl)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000094992981 568593444 /nfs/dbraw/zinc/59/34/44/568593444.db2.gz GPGZUKNFFYJFNY-UHFFFAOYSA-N 0 0 400.309 5.178 50 0 HKAARN CC(C)[C@H]1COC(c2ccccc2Nc2ccccc2C2=N[C@@H](C(C)(C)C)CO2)=N1 ZINC000095100131 559079422 /nfs/dbraw/zinc/07/94/22/559079422.db2.gz FIJNPJIMVUCDHH-FGZHOGPDSA-N 0 0 405.542 5.423 50 0 HKAARN COc1ccc(CCNc2c3ccccc3oc(=O)c2Cc2ccccc2)cc1OC ZINC000095115822 559079450 /nfs/dbraw/zinc/07/94/50/559079450.db2.gz LJJQQBSVKUHWOS-UHFFFAOYSA-N 0 0 415.489 5.056 50 0 HKAARN CCOC(=O)CP(=O)(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 ZINC000095215247 559079440 /nfs/dbraw/zinc/07/94/40/559079440.db2.gz WZDRXRQRWUGARV-UHFFFAOYSA-N 0 0 420.401 6.207 50 0 HKAARN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3cc(F)c(F)cc3s2)n1 ZINC000095348693 568600276 /nfs/dbraw/zinc/60/02/76/568600276.db2.gz YOICGMLVKFVHSF-UHFFFAOYSA-N 0 0 414.437 5.174 50 0 HKAARN Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nc1-c1ccccc1 ZINC000095348752 568600238 /nfs/dbraw/zinc/60/02/38/568600238.db2.gz XCXGUKFPHZZQDX-IAGOWNOFSA-N 0 0 418.497 5.092 50 0 HKAARN Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)nc1-c1ccccc1 ZINC000095348753 568600269 /nfs/dbraw/zinc/60/02/69/568600269.db2.gz XCXGUKFPHZZQDX-SJORKVTESA-N 0 0 418.497 5.092 50 0 HKAARN Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1 ZINC000095348754 568600278 /nfs/dbraw/zinc/60/02/78/568600278.db2.gz XCXGUKFPHZZQDX-DLBZAZTESA-N 0 0 418.497 5.092 50 0 HKAARN Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1 ZINC000095348755 568600216 /nfs/dbraw/zinc/60/02/16/568600216.db2.gz XCXGUKFPHZZQDX-IRXDYDNUSA-N 0 0 418.497 5.092 50 0 HKAARN CC(C)COc1cccc(OCC(=O)N2c3ccccc3CCc3ccccc32)c1 ZINC000095348920 568600232 /nfs/dbraw/zinc/60/02/32/568600232.db2.gz WAVLNODTRAZOBB-UHFFFAOYSA-N 0 0 401.506 5.564 50 0 HKAARN COc1ccc(Sc2ccc(NC(=O)c3cc4c(C)nn(C)c4s3)cc2)cc1 ZINC000095349137 568600516 /nfs/dbraw/zinc/60/05/16/568600516.db2.gz KVDMRYLHEDQCHP-UHFFFAOYSA-N 0 0 409.536 5.355 50 0 HKAARN CC(C)c1ccc(-c2nc(CNc3cc4c(cc3Cl)NC(=O)CO4)cs2)cc1 ZINC000095349847 568600683 /nfs/dbraw/zinc/60/06/83/568600683.db2.gz HCDCCXLAJQWLHA-UHFFFAOYSA-N 0 0 413.930 5.530 50 0 HKAARN O=C(Oc1ccc(C2SCCS2)cc1)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000095350259 568600711 /nfs/dbraw/zinc/60/07/11/568600711.db2.gz MFORQRXNQDDBMR-UHFFFAOYSA-N 0 0 420.987 5.036 50 0 HKAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCCC2)C1 ZINC000095351616 568601033 /nfs/dbraw/zinc/60/10/33/568601033.db2.gz BMYKCFZOGAYVIL-PMERELPUSA-N 0 0 420.497 6.295 50 0 HKAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095352044 568601312 /nfs/dbraw/zinc/60/13/12/568601312.db2.gz TZUVINPRDKWLNG-IBGZPJMESA-N 0 0 414.431 5.569 50 0 HKAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095352045 568601345 /nfs/dbraw/zinc/60/13/45/568601345.db2.gz TZUVINPRDKWLNG-LJQANCHMSA-N 0 0 414.431 5.569 50 0 HKAARN CN(Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356874 568601475 /nfs/dbraw/zinc/60/14/75/568601475.db2.gz YBKRXEMNQHRPKO-DOTOQJQBSA-N 0 0 411.379 5.269 50 0 HKAARN CN(Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356875 568601534 /nfs/dbraw/zinc/60/15/34/568601534.db2.gz YBKRXEMNQHRPKO-RDJZCZTQSA-N 0 0 411.379 5.269 50 0 HKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(O)cc1 ZINC000095356897 568601655 /nfs/dbraw/zinc/60/16/55/568601655.db2.gz VJEHXHNGBIOFSM-UHFFFAOYSA-N 0 0 406.429 5.115 50 0 HKAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095360977 568601695 /nfs/dbraw/zinc/60/16/95/568601695.db2.gz XNQCBLZMQGVUPK-UHFFFAOYSA-N 0 0 401.262 5.083 50 0 HKAARN Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SC(F)(F)F)cc2F)n1 ZINC000095364846 568602058 /nfs/dbraw/zinc/60/20/58/568602058.db2.gz RYKUQIZPRIZGDF-UHFFFAOYSA-N 0 0 409.408 5.492 50 0 HKAARN CCCn1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)ccc1=O ZINC000095365046 568602126 /nfs/dbraw/zinc/60/21/26/568602126.db2.gz KITFRVXRIZLQKG-UHFFFAOYSA-N 0 0 414.836 5.398 50 0 HKAARN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000095365201 568602037 /nfs/dbraw/zinc/60/20/37/568602037.db2.gz RRJJPTKTVOSNFJ-LJQANCHMSA-N 0 0 412.331 5.012 50 0 HKAARN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000095365202 568602034 /nfs/dbraw/zinc/60/20/34/568602034.db2.gz RRJJPTKTVOSNFJ-IBGZPJMESA-N 0 0 412.331 5.012 50 0 HKAARN Cc1ncc(COc2cc(OCc3cnc(C)s3)c(Cl)cc2Cl)s1 ZINC000095369579 568602773 /nfs/dbraw/zinc/60/27/73/568602773.db2.gz KBZREFVQEKCEIA-UHFFFAOYSA-N 0 0 401.340 5.681 50 0 HKAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnc(-c2ccccc2F)s1 ZINC000095373560 568603092 /nfs/dbraw/zinc/60/30/92/568603092.db2.gz QBKAITBWEBODLW-UHFFFAOYSA-N 0 0 423.513 5.218 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000095385631 568603692 /nfs/dbraw/zinc/60/36/92/568603692.db2.gz FRAKMGRVWBMMTE-LBPRGKRZSA-N 0 0 419.344 5.023 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000095385632 568603734 /nfs/dbraw/zinc/60/37/34/568603734.db2.gz FRAKMGRVWBMMTE-GFCCVEGCSA-N 0 0 419.344 5.023 50 0 HKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000095385759 568603808 /nfs/dbraw/zinc/60/38/08/568603808.db2.gz WYRCBVZSWRLKJO-LBPRGKRZSA-N 0 0 413.955 5.906 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000095385760 568603705 /nfs/dbraw/zinc/60/37/05/568603705.db2.gz WYRCBVZSWRLKJO-GFCCVEGCSA-N 0 0 413.955 5.906 50 0 HKAARN O=C(Nc1ccc(F)c(F)c1F)c1oc2ccccc2c1CSc1ncccn1 ZINC000095389732 568603978 /nfs/dbraw/zinc/60/39/78/568603978.db2.gz ULOIGBZXSPGAEQ-UHFFFAOYSA-N 0 0 415.396 5.185 50 0 HKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1COc2ccccc21 ZINC000095390000 568604205 /nfs/dbraw/zinc/60/42/05/568604205.db2.gz YFCVDQMTXFXACU-HNNXBMFYSA-N 0 0 404.413 5.001 50 0 HKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000095390003 568604218 /nfs/dbraw/zinc/60/42/18/568604218.db2.gz UILHGNJBOFUHJO-UHFFFAOYSA-N 0 0 423.803 5.583 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2ccc(-c3nc(C)cs3)cc2)n1 ZINC000095392997 568604244 /nfs/dbraw/zinc/60/42/44/568604244.db2.gz OCICDYHTVMOLMI-UHFFFAOYSA-N 0 0 407.520 5.503 50 0 HKAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(C)C1CCCCCCC1 ZINC000095393341 568604234 /nfs/dbraw/zinc/60/42/34/568604234.db2.gz ASJSBIXGRHZOQW-UHFFFAOYSA-N 0 0 422.495 5.017 50 0 HKAARN Cc1cc(OC(F)F)c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)s1 ZINC000095397150 568604386 /nfs/dbraw/zinc/60/43/86/568604386.db2.gz WGFLEEXDIXWUCB-UHFFFAOYSA-N 0 0 418.918 5.117 50 0 HKAARN Cc1cc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)n(-c2ccc(C)cc2)n1 ZINC000095403787 568605777 /nfs/dbraw/zinc/60/57/77/568605777.db2.gz UZJZEBCMVYLAHW-IBGZPJMESA-N 0 0 406.555 5.135 50 0 HKAARN Cc1cc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)n(-c2ccc(C)cc2)n1 ZINC000095403788 568605706 /nfs/dbraw/zinc/60/57/06/568605706.db2.gz UZJZEBCMVYLAHW-LJQANCHMSA-N 0 0 406.555 5.135 50 0 HKAARN Cc1nc(-c2ccccc2Cl)nc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c1C ZINC000095406127 568606131 /nfs/dbraw/zinc/60/61/31/568606131.db2.gz WXTQPZHYUAKABP-INIZCTEOSA-N 0 0 409.921 5.058 50 0 HKAARN Cc1nc(-c2ccccc2Cl)nc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1C ZINC000095406128 568606127 /nfs/dbraw/zinc/60/61/27/568606127.db2.gz WXTQPZHYUAKABP-MRXNPFEDSA-N 0 0 409.921 5.058 50 0 HKAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccc(O)c(C)c2)s1 ZINC000095430588 568608929 /nfs/dbraw/zinc/60/89/29/568608929.db2.gz QCSQHTDIUKLYDV-UHFFFAOYSA-N 0 0 411.508 5.151 50 0 HKAARN Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2)c1 ZINC000095430997 568609002 /nfs/dbraw/zinc/60/90/02/568609002.db2.gz WRCRAOLECWUPMV-UHFFFAOYSA-N 0 0 404.514 5.007 50 0 HKAARN CC(C)c1nccc(C2CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)CC2)n1 ZINC000095431188 568609173 /nfs/dbraw/zinc/60/91/73/568609173.db2.gz BIYLEYGQIBMTMH-CQSZACIVSA-N 0 0 422.356 5.080 50 0 HKAARN CC(C)c1nccc(C2CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)CC2)n1 ZINC000095431189 568609074 /nfs/dbraw/zinc/60/90/74/568609074.db2.gz BIYLEYGQIBMTMH-AWEZNQCLSA-N 0 0 422.356 5.080 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N3CC=C(C(F)(F)F)CC3)cc12 ZINC000095441548 568610774 /nfs/dbraw/zinc/61/07/74/568610774.db2.gz JQKJKDGRLOSJSJ-UHFFFAOYSA-N 0 0 419.472 5.098 50 0 HKAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000095441809 568610808 /nfs/dbraw/zinc/61/08/08/568610808.db2.gz NXFDEKJFJIFCIK-HHHXNRCGSA-N 0 0 421.544 5.174 50 0 HKAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000095441810 568610793 /nfs/dbraw/zinc/61/07/93/568610793.db2.gz NXFDEKJFJIFCIK-MHZLTWQESA-N 0 0 421.544 5.174 50 0 HKAARN Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F ZINC000095446455 568611962 /nfs/dbraw/zinc/61/19/62/568611962.db2.gz LXUCCFOXLXYKEE-IBGZPJMESA-N 0 0 418.419 5.254 50 0 HKAARN Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F ZINC000095446456 568612078 /nfs/dbraw/zinc/61/20/78/568612078.db2.gz LXUCCFOXLXYKEE-LJQANCHMSA-N 0 0 418.419 5.254 50 0 HKAARN COC(=O)c1c(CN(C)[C@@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446714 568612223 /nfs/dbraw/zinc/61/22/23/568612223.db2.gz GBMVCAMFIIZKEW-SFHVURJKSA-N 0 0 411.505 5.276 50 0 HKAARN COC(=O)c1c(CN(C)[C@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 ZINC000095446715 568612233 /nfs/dbraw/zinc/61/22/33/568612233.db2.gz GBMVCAMFIIZKEW-GOSISDBHSA-N 0 0 411.505 5.276 50 0 HKAARN Cc1ccc(F)c(C(=O)Nc2ccccc2[C@@H](C)NC(=O)c2cc(C)ccc2F)c1 ZINC000095451279 568614461 /nfs/dbraw/zinc/61/44/61/568614461.db2.gz OXNMQNCAIJPPKG-MRXNPFEDSA-N 0 0 408.448 5.325 50 0 HKAARN Cc1ccc(F)c(C(=O)Nc2ccccc2[C@H](C)NC(=O)c2cc(C)ccc2F)c1 ZINC000095451280 568614415 /nfs/dbraw/zinc/61/44/15/568614415.db2.gz OXNMQNCAIJPPKG-INIZCTEOSA-N 0 0 408.448 5.325 50 0 HKAARN CS(=O)(=O)c1ccc(-c2nc(CN[C@@H](c3ccccc3)C3CCCCC3)co2)cc1 ZINC000095452666 568615438 /nfs/dbraw/zinc/61/54/38/568615438.db2.gz LEOPBOVGLCFRMU-QHCPKHFHSA-N 0 0 424.566 5.156 50 0 HKAARN CS(=O)(=O)c1ccc(-c2nc(CN[C@H](c3ccccc3)C3CCCCC3)co2)cc1 ZINC000095452667 568615275 /nfs/dbraw/zinc/61/52/75/568615275.db2.gz LEOPBOVGLCFRMU-HSZRJFAPSA-N 0 0 424.566 5.156 50 0 HKAARN CO[C@H](C)c1nc(CN(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455989 568617443 /nfs/dbraw/zinc/61/74/43/568617443.db2.gz YLCJPWMFEHLYTB-DLBZAZTESA-N 0 0 406.555 5.382 50 0 HKAARN CO[C@H](C)c1nc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000095455990 568617378 /nfs/dbraw/zinc/61/73/78/568617378.db2.gz YLCJPWMFEHLYTB-IAGOWNOFSA-N 0 0 406.555 5.382 50 0 HKAARN Cn1ncc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F ZINC000095458905 568619264 /nfs/dbraw/zinc/61/92/64/568619264.db2.gz IYDXRFGVHSYONC-CZUORRHYSA-N 0 0 415.406 5.223 50 0 HKAARN Cn1ncc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F ZINC000095458906 568619280 /nfs/dbraw/zinc/61/92/80/568619280.db2.gz IYDXRFGVHSYONC-CJNGLKHVSA-N 0 0 415.406 5.223 50 0 HKAARN Cn1ncc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)c1C(F)F ZINC000095458907 568619253 /nfs/dbraw/zinc/61/92/53/568619253.db2.gz IYDXRFGVHSYONC-XJKSGUPXSA-N 0 0 415.406 5.223 50 0 HKAARN Cn1ncc(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)c1C(F)F ZINC000095458908 568619258 /nfs/dbraw/zinc/61/92/58/568619258.db2.gz IYDXRFGVHSYONC-BBRMVZONSA-N 0 0 415.406 5.223 50 0 HKAARN O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@@H]1CCCO1 ZINC000095458915 568619210 /nfs/dbraw/zinc/61/92/10/568619210.db2.gz XVZMJIFRTXELJK-JQHSSLGASA-N 0 0 422.447 5.391 50 0 HKAARN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@@H]1CCCO1 ZINC000095458916 568619302 /nfs/dbraw/zinc/61/93/02/568619302.db2.gz XVZMJIFRTXELJK-NXHRZFHOSA-N 0 0 422.447 5.391 50 0 HKAARN Clc1ccc(Cc2nc(CN(Cc3ccco3)Cc3cccnc3)cs2)cc1 ZINC000095459778 568619738 /nfs/dbraw/zinc/61/97/38/568619738.db2.gz VZSFVGGULNVTTD-UHFFFAOYSA-N 0 0 409.942 5.578 50 0 HKAARN CC[C@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460975 568620429 /nfs/dbraw/zinc/62/04/29/568620429.db2.gz KNUGCDIDGTURPF-FQEVSTJZSA-N 0 0 413.481 5.537 50 0 HKAARN CC[C@@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460976 568620430 /nfs/dbraw/zinc/62/04/30/568620430.db2.gz KNUGCDIDGTURPF-HXUWFJFHSA-N 0 0 413.481 5.537 50 0 HKAARN Clc1cc(Cl)c2nc(Cc3nc(-c4c[nH]c5ncccc45)cs3)cn2c1 ZINC000095462135 568621338 /nfs/dbraw/zinc/62/13/38/568621338.db2.gz UXGVQFAFXQCWEX-UHFFFAOYSA-N 0 0 400.294 5.232 50 0 HKAARN Cc1ccccc1OCCCC(=O)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000095462418 568621430 /nfs/dbraw/zinc/62/14/30/568621430.db2.gz RRTFORKKRASJBK-GOSISDBHSA-N 0 0 406.448 5.018 50 0 HKAARN Cc1ccccc1OCCCC(=O)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000095462419 568621402 /nfs/dbraw/zinc/62/14/02/568621402.db2.gz RRTFORKKRASJBK-SFHVURJKSA-N 0 0 406.448 5.018 50 0 HKAARN Cc1nc(-c2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2Cl)n[nH]1 ZINC000095463304 568621961 /nfs/dbraw/zinc/62/19/61/568621961.db2.gz LGAHNXDELLFDAE-UHFFFAOYSA-N 0 0 421.888 5.050 50 0 HKAARN Cc1nc(CSc2ccc(C(=O)N3CC=C(c4cnccc4C)CC3)cc2)cs1 ZINC000095464862 568622796 /nfs/dbraw/zinc/62/27/96/568622796.db2.gz CSRFATVOVHJMIS-UHFFFAOYSA-N 0 0 421.591 5.377 50 0 HKAARN CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 ZINC000095465576 568623682 /nfs/dbraw/zinc/62/36/82/568623682.db2.gz YRCYWRARVHBICE-HUUCEWRRSA-N 0 0 401.293 5.140 50 0 HKAARN CCc1cc(=O)c2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 ZINC000095465577 568623732 /nfs/dbraw/zinc/62/37/32/568623732.db2.gz YRCYWRARVHBICE-CABCVRRESA-N 0 0 401.293 5.140 50 0 HKAARN CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 ZINC000095465578 568623751 /nfs/dbraw/zinc/62/37/51/568623751.db2.gz YRCYWRARVHBICE-LSDHHAIUSA-N 0 0 401.293 5.140 50 0 HKAARN CCc1cc(=O)c2cc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 ZINC000095465579 568623725 /nfs/dbraw/zinc/62/37/25/568623725.db2.gz YRCYWRARVHBICE-GJZGRUSLSA-N 0 0 401.293 5.140 50 0 HKAARN Fc1ccc(-c2nc(CN3CCC[C@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466156 568624025 /nfs/dbraw/zinc/62/40/25/568624025.db2.gz XBVAFZZLSQUURY-INIZCTEOSA-N 0 0 410.440 5.002 50 0 HKAARN Fc1ccc(-c2nc(CN3CCC[C@@H](n4nccc4C(F)(F)F)C3)cs2)cc1 ZINC000095466157 568624096 /nfs/dbraw/zinc/62/40/96/568624096.db2.gz XBVAFZZLSQUURY-MRXNPFEDSA-N 0 0 410.440 5.002 50 0 HKAARN Cc1cc(NC(=O)N(Cc2ccoc2)C2CCCCC2)ccc1OC1CCOCC1 ZINC000095467125 568624555 /nfs/dbraw/zinc/62/45/55/568624555.db2.gz IXLCMGPREMJQSB-UHFFFAOYSA-N 0 0 412.530 5.513 50 0 HKAARN Cc1nnc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c32)n1C1CC1 ZINC000095467632 568624765 /nfs/dbraw/zinc/62/47/65/568624765.db2.gz ORYFJWJNNMMTSE-UHFFFAOYSA-N 0 0 402.527 5.083 50 0 HKAARN Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000095467812 568624940 /nfs/dbraw/zinc/62/49/40/568624940.db2.gz PKUHQBJKQRMAKD-UHFFFAOYSA-N 0 0 409.489 5.419 50 0 HKAARN COc1cc(O)cc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 ZINC000095468879 568625372 /nfs/dbraw/zinc/62/53/72/568625372.db2.gz CVWDIANCTIQKOW-UHFFFAOYSA-N 0 0 400.434 5.284 50 0 HKAARN Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)n1Cc1cccs1 ZINC000095469747 568625990 /nfs/dbraw/zinc/62/59/90/568625990.db2.gz JHCHVHZEJQYUSK-UHFFFAOYSA-N 0 0 416.930 5.282 50 0 HKAARN C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1c(F)cccc1F ZINC000095469830 568625987 /nfs/dbraw/zinc/62/59/87/568625987.db2.gz UTRHYYCPHLOLSA-ZDUSSCGKSA-N 0 0 409.461 5.681 50 0 HKAARN C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1c(F)cccc1F ZINC000095469831 568626021 /nfs/dbraw/zinc/62/60/21/568626021.db2.gz UTRHYYCPHLOLSA-CYBMUJFWSA-N 0 0 409.461 5.681 50 0 HKAARN Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)n(-c2cc(C)cc(C)c2)n1 ZINC000095469892 568626034 /nfs/dbraw/zinc/62/60/34/568626034.db2.gz VSLLFAIBZVFHDB-UHFFFAOYSA-N 0 0 409.580 5.528 50 0 HKAARN COc1ccc(C(=O)Nc2cc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)ccc2C)cc1 ZINC000095470291 559081201 /nfs/dbraw/zinc/08/12/01/559081201.db2.gz VWIVTARTJZYVPR-UHFFFAOYSA-N 0 0 418.493 5.069 50 0 HKAARN COc1cc(CN(C(=O)c2ccc(Cl)cc2Cl)c2ccc(C)cc2)ccc1O ZINC000095470293 559081163 /nfs/dbraw/zinc/08/11/63/559081163.db2.gz MUHBXROFDLMQMQ-UHFFFAOYSA-N 0 0 416.304 5.863 50 0 HKAARN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1cccc2ccccc21 ZINC000095471081 568626400 /nfs/dbraw/zinc/62/64/00/568626400.db2.gz SKYMKNCXMMJSLC-UHFFFAOYSA-N 0 0 402.247 5.556 50 0 HKAARN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000095471114 568626365 /nfs/dbraw/zinc/62/63/65/568626365.db2.gz XAYAJOXTHCVEJK-UHFFFAOYSA-N 0 0 420.184 5.422 50 0 HKAARN O=c1oc2c(Cl)cc(Cc3ccccc3Cl)cc2cc1-c1nc2ccccc2[nH]1 ZINC000095471155 568626348 /nfs/dbraw/zinc/62/63/48/568626348.db2.gz ZNTNGAFXGDFYBB-UHFFFAOYSA-N 0 0 421.283 6.234 50 0 HKAARN COCc1cc(C)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N ZINC000095471157 522918330 /nfs/dbraw/zinc/91/83/30/522918330.db2.gz APGHDAMMUJQFAQ-LGJNPRDNSA-N 0 0 408.546 5.155 50 0 HKAARN CC(C)c1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000095471176 568626373 /nfs/dbraw/zinc/62/63/73/568626373.db2.gz QEOMRCHJRGYWOT-UHFFFAOYSA-N 0 0 405.517 5.736 50 0 HKAARN CCOc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000095471180 568626475 /nfs/dbraw/zinc/62/64/75/568626475.db2.gz BGFVGPMOLRDWJZ-UHFFFAOYSA-N 0 0 407.489 5.011 50 0 HKAARN O=C(c1cnc2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCCC1 ZINC000095471190 568626466 /nfs/dbraw/zinc/62/64/66/568626466.db2.gz DSUNWUIKCQZFTM-UHFFFAOYSA-N 0 0 411.908 5.308 50 0 HKAARN C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000095471192 568626266 /nfs/dbraw/zinc/62/62/66/568626266.db2.gz DVOSZOANOBBOTC-SFHVURJKSA-N 0 0 405.517 5.433 50 0 HKAARN C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000095471193 568626307 /nfs/dbraw/zinc/62/63/07/568626307.db2.gz DVOSZOANOBBOTC-GOSISDBHSA-N 0 0 405.517 5.433 50 0 HKAARN CC(C)Oc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000095471195 568626471 /nfs/dbraw/zinc/62/64/71/568626471.db2.gz GZYNZCQDCKUYGO-UHFFFAOYSA-N 0 0 421.516 5.399 50 0 HKAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000095471963 568627034 /nfs/dbraw/zinc/62/70/34/568627034.db2.gz LVWBKLIUHSMNHH-UHFFFAOYSA-N 0 0 401.890 6.143 50 0 HKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N ZINC000095471988 568627323 /nfs/dbraw/zinc/62/73/23/568627323.db2.gz HWGVSMASPBEFKP-UHFFFAOYSA-N 0 0 423.925 5.850 50 0 HKAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 ZINC000095471998 568627382 /nfs/dbraw/zinc/62/73/82/568627382.db2.gz FHUOHFDDJDGMNC-UHFFFAOYSA-N 0 0 415.518 5.426 50 0 HKAARN CC(C)CCn1ccc2c1cccc2NC(=O)CCn1ccc(=O)c2ccccc21 ZINC000095474013 568629099 /nfs/dbraw/zinc/62/90/99/568629099.db2.gz MUTFYUNSFFKQLU-UHFFFAOYSA-N 0 0 401.510 5.031 50 0 HKAARN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCSCC3)cc(=O)oc2c1C ZINC000095474718 568629459 /nfs/dbraw/zinc/62/94/59/568629459.db2.gz FEDKQZMYCUPJAS-UHFFFAOYSA-N 0 0 420.534 5.075 50 0 HKAARN CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000095474976 568629630 /nfs/dbraw/zinc/62/96/30/568629630.db2.gz RCRSDBYRGYMSDL-UHFFFAOYSA-N 0 0 407.898 5.220 50 0 HKAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000095475285 568629768 /nfs/dbraw/zinc/62/97/68/568629768.db2.gz LXBSOFBARMSUNQ-IBGZPJMESA-N 0 0 417.940 5.382 50 0 biogenic HKAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000095475286 568629844 /nfs/dbraw/zinc/62/98/44/568629844.db2.gz LXBSOFBARMSUNQ-LJQANCHMSA-N 0 0 417.940 5.382 50 0 biogenic HKAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000095476205 568630279 /nfs/dbraw/zinc/63/02/79/568630279.db2.gz XDRJUEHQTKOAOQ-QFIPXVFZSA-N 0 0 407.539 5.510 50 0 HKAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000095476206 568630353 /nfs/dbraw/zinc/63/03/53/568630353.db2.gz XDRJUEHQTKOAOQ-JOCHJYFZSA-N 0 0 407.539 5.510 50 0 HKAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4ncccc4C)c(=O)oc3c2C)c1C ZINC000095476842 568630811 /nfs/dbraw/zinc/63/08/11/568630811.db2.gz HWECSENYMCDZFC-UHFFFAOYSA-N 0 0 404.466 5.048 50 0 HKAARN O=C(CCn1ccc2ccc(Cl)cc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000095477134 568631044 /nfs/dbraw/zinc/63/10/44/568631044.db2.gz YVVXYAZVAJZKSD-UHFFFAOYSA-N 0 0 400.309 5.178 50 0 HKAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000095477395 568630853 /nfs/dbraw/zinc/63/08/53/568630853.db2.gz QLEBNOVJVNUCOA-FQEVSTJZSA-N 0 0 405.929 5.156 50 0 HKAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000095477396 568630905 /nfs/dbraw/zinc/63/09/05/568630905.db2.gz QLEBNOVJVNUCOA-HXUWFJFHSA-N 0 0 405.929 5.156 50 0 HKAARN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CCSCC3)c2cc1C ZINC000095478165 568631556 /nfs/dbraw/zinc/63/15/56/568631556.db2.gz BIJPCSUSVPEHIB-UHFFFAOYSA-N 0 0 420.534 5.075 50 0 HKAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3OC)c3ccsc3)c21 ZINC000095478306 568631744 /nfs/dbraw/zinc/63/17/44/568631744.db2.gz VMNZKKHHWCNHDV-SFHVURJKSA-N 0 0 420.534 5.085 50 0 HKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccccc3OC)c3ccsc3)c21 ZINC000095478307 568631643 /nfs/dbraw/zinc/63/16/43/568631643.db2.gz VMNZKKHHWCNHDV-GOSISDBHSA-N 0 0 420.534 5.085 50 0 HKAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000095478758 568631932 /nfs/dbraw/zinc/63/19/32/568631932.db2.gz KSJZBNOUFCXYEY-INIZCTEOSA-N 0 0 403.309 5.625 50 0 HKAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000095478759 568632012 /nfs/dbraw/zinc/63/20/12/568632012.db2.gz KSJZBNOUFCXYEY-MRXNPFEDSA-N 0 0 403.309 5.625 50 0 HKAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000095479153 568632110 /nfs/dbraw/zinc/63/21/10/568632110.db2.gz ZBUOJFCJFRNHOC-UHFFFAOYSA-N 0 0 412.489 5.498 50 0 HKAARN CN1c2cccnc2Oc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2C1=O ZINC000095480424 568633150 /nfs/dbraw/zinc/63/31/50/568633150.db2.gz LHXXJNJNUPEVCZ-UHFFFAOYSA-N 0 0 414.248 5.023 50 0 HKAARN CN1c2cccnc2Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O ZINC000095480819 568633362 /nfs/dbraw/zinc/63/33/62/568633362.db2.gz SPHRFVWTDCWDPC-UHFFFAOYSA-N 0 0 421.456 5.383 50 0 HKAARN Cc1ccccc1C(=O)Nc1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000095481311 571308851 /nfs/dbraw/zinc/30/88/51/571308851.db2.gz BEVYVWYPNDHXIQ-UHFFFAOYSA-N 0 0 421.500 5.829 50 0 HKAARN O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000095481737 568634035 /nfs/dbraw/zinc/63/40/35/568634035.db2.gz IFGSFQHMGLJNCZ-VWOHUWHGSA-N 0 0 423.472 5.858 50 0 HKAARN O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000095481738 568634038 /nfs/dbraw/zinc/63/40/38/568634038.db2.gz IFGSFQHMGLJNCZ-CLRQINNVSA-N 0 0 423.472 5.858 50 0 HKAARN O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc1ccccc1 ZINC000095481819 568634004 /nfs/dbraw/zinc/63/40/04/568634004.db2.gz CXNBHCJUSWUXAJ-UHFFFAOYSA-N 0 0 422.535 5.057 50 0 HKAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095481889 568634083 /nfs/dbraw/zinc/63/40/83/568634083.db2.gz PSHPELNNLMBMDB-UHFFFAOYSA-N 0 0 424.913 5.475 50 0 HKAARN Cc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl ZINC000095482087 559081328 /nfs/dbraw/zinc/08/13/28/559081328.db2.gz VZEZBRHGWWMGRJ-UHFFFAOYSA-N 0 0 408.910 5.943 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482201 568634135 /nfs/dbraw/zinc/63/41/35/568634135.db2.gz QPYBSGKYTPUJKM-SOFGYWHQSA-N 0 0 408.672 5.026 50 0 HKAARN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000095482204 568634263 /nfs/dbraw/zinc/63/42/63/568634263.db2.gz OCTUYHIYRWKBBO-VQHVLOKHSA-N 0 0 422.699 5.369 50 0 HKAARN CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000095482205 568634114 /nfs/dbraw/zinc/63/41/14/568634114.db2.gz PDFOLJSOGJLLTQ-SOFGYWHQSA-N 0 0 408.310 5.167 50 0 HKAARN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482412 568634416 /nfs/dbraw/zinc/63/44/16/568634416.db2.gz UVOGDENFRDRHHX-INIZCTEOSA-N 0 0 422.337 5.231 50 0 HKAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482413 568634456 /nfs/dbraw/zinc/63/44/56/568634456.db2.gz UVOGDENFRDRHHX-MRXNPFEDSA-N 0 0 422.337 5.231 50 0 HKAARN O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482465 568634391 /nfs/dbraw/zinc/63/43/91/568634391.db2.gz NXPVRLOTYLKEMT-UHFFFAOYSA-N 0 0 422.337 5.232 50 0 HKAARN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000095482497 568634755 /nfs/dbraw/zinc/63/47/55/568634755.db2.gz DUGDRQHQCUXSPG-NRFANRHFSA-N 0 0 421.541 5.159 50 0 HKAARN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000095482498 568634785 /nfs/dbraw/zinc/63/47/85/568634785.db2.gz DUGDRQHQCUXSPG-OAQYLSRUSA-N 0 0 421.541 5.159 50 0 HKAARN c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1 ZINC000095567261 559087326 /nfs/dbraw/zinc/08/73/26/559087326.db2.gz QNRODODTMXCRKU-UHFFFAOYSA-N 0 0 415.500 5.880 50 0 in-vitro HKAARN O=C(n1cc(-c2ccc(-c3ccccc3)cc2)nn1)N1CCCC[C@H]1Cc1ccccc1 ZINC000095567572 568638276 /nfs/dbraw/zinc/63/82/76/568638276.db2.gz JKJMWHULJIOKPJ-VWLOTQADSA-N 0 0 422.532 5.677 50 0 in-vitro HKAARN O=C(n1cc(-c2ccc(-c3ccccc3)cc2)nn1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000095567573 568638240 /nfs/dbraw/zinc/63/82/40/568638240.db2.gz JKJMWHULJIOKPJ-RUZDIDTESA-N 0 0 422.532 5.677 50 0 in-vitro HKAARN CCOC(=O)c1cccc(CNc2ccc(N(C)C(=O)Nc3ccccc3)cc2)c1 ZINC000095572333 559087311 /nfs/dbraw/zinc/08/73/11/559087311.db2.gz IRROUJPHZPIWBN-UHFFFAOYSA-N 0 0 403.482 5.144 50 0 HKAARN C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000095618008 574417048 /nfs/dbraw/zinc/41/70/48/574417048.db2.gz OSELKOCHBMDKEJ-KIWPCOMDSA-N 0 0 412.702 7.945 50 0 endogenous,in-man HKAARN FC(F)(F)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)c3)cnc2c1 ZINC000095626617 559087613 /nfs/dbraw/zinc/08/76/13/559087613.db2.gz RQRHSSYTQATNOL-UHFFFAOYSA-N 0 0 422.031 6.385 50 0 HKAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095627670 559087772 /nfs/dbraw/zinc/08/77/72/559087772.db2.gz ICVQXOOPOAIZIA-LLVKDONJSA-N 0 0 419.321 5.222 50 0 HKAARN Cc1cc(C(C)(C)C)cc(C)c1N1C(=O)C[C@@H](Sc2ccc(Cl)cc2)C1=O ZINC000095629526 559087791 /nfs/dbraw/zinc/08/77/91/559087791.db2.gz VFNTYVLLLDQWHH-GOSISDBHSA-N 0 0 401.959 5.679 50 0 HKAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000095644665 568640589 /nfs/dbraw/zinc/64/05/89/568640589.db2.gz AMLZLORVKZAHOH-YVLHZVERSA-N 0 0 418.312 5.003 50 0 in-vitro HKAARN C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095876455 559088753 /nfs/dbraw/zinc/08/87/53/559088753.db2.gz GMBQZIIUCVWOCD-CRVMXPCUSA-N 0 0 416.646 5.794 50 0 HKAARN COC(=O)c1c2c(sc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCC2 ZINC000095912948 559088886 /nfs/dbraw/zinc/08/88/86/559088886.db2.gz WVFDTFCCKCVWGQ-UHFFFAOYSA-N 0 0 411.520 5.090 50 0 HKAARN CCc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000095918066 559088880 /nfs/dbraw/zinc/08/88/80/559088880.db2.gz ASKKWJDGSUFKIB-BYNJWEBRSA-N 0 0 411.589 6.703 50 0 HKAARN Cl/C(=C(/c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000095918068 559088873 /nfs/dbraw/zinc/08/88/73/559088873.db2.gz GKUSQTYIFKVDAC-QPLCGJKRSA-N 0 0 403.953 6.317 50 0 HKAARN CCCCCC/C(C)=C(\c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095918073 559088889 /nfs/dbraw/zinc/08/88/89/559088889.db2.gz JKONFPZFFXFGSV-WEMUOSSPSA-N 0 0 421.625 6.962 50 0 HKAARN C[C@@H](C[NH+](C)C)Oc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000095918092 559088917 /nfs/dbraw/zinc/08/89/17/559088917.db2.gz VOTIBLWBMGUNCK-ZFZZVZNFSA-N 0 0 402.494 5.209 50 0 HKAARN C[C@H](C[NH+](C)C)Oc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000095918093 559088930 /nfs/dbraw/zinc/08/89/30/559088930.db2.gz VOTIBLWBMGUNCK-WWDJGNSZSA-N 0 0 402.494 5.209 50 0 HKAARN COc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000095929456 568660508 /nfs/dbraw/zinc/66/05/08/568660508.db2.gz VRGXLKOJXUOEBE-UHFFFAOYSA-N 0 0 403.507 5.244 50 0 HKAARN Cc1noc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000095939701 568661486 /nfs/dbraw/zinc/66/14/86/568661486.db2.gz ZXHDRRYDOLEEHT-UHFFFAOYSA-N 0 0 409.898 5.608 50 0 HKAARN COC(=O)CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1C ZINC000095940958 568661669 /nfs/dbraw/zinc/66/16/69/568661669.db2.gz MQHLFAHVHQAQCY-UHFFFAOYSA-N 0 0 415.580 5.074 50 0 HKAARN CCC1(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCCC1 ZINC000095940988 568662181 /nfs/dbraw/zinc/66/21/81/568662181.db2.gz OLZWEXQPGXIROI-UHFFFAOYSA-N 0 0 424.507 5.034 50 0 HKAARN FC(F)(F)COc1ccccc1CNC1(c2ccc(Br)s2)CC1 ZINC000095941497 568662163 /nfs/dbraw/zinc/66/21/63/568662163.db2.gz JHBKDTYXUYUFEA-UHFFFAOYSA-N 0 0 406.267 5.231 50 0 HKAARN Cn1c(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c32)nnc1C1CCC1 ZINC000095941765 568662232 /nfs/dbraw/zinc/66/22/32/568662232.db2.gz TWXHVFGWEBGKIK-UHFFFAOYSA-N 0 0 416.554 5.244 50 0 HKAARN CCCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000095942631 568662332 /nfs/dbraw/zinc/66/23/32/568662332.db2.gz VFWYQGBKSPVZQO-INIZCTEOSA-N 0 0 402.800 5.369 50 0 HKAARN CCCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000095942632 568662392 /nfs/dbraw/zinc/66/23/92/568662392.db2.gz VFWYQGBKSPVZQO-MRXNPFEDSA-N 0 0 402.800 5.369 50 0 HKAARN Cc1cc(Br)c(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1Cl ZINC000095943822 568662848 /nfs/dbraw/zinc/66/28/48/568662848.db2.gz BUGHPYZGTJFKDS-INIZCTEOSA-N 0 0 411.727 5.046 50 0 HKAARN Cc1cc(Br)c(NC(=O)N[C@H](CCCO)c2ccccc2)cc1Cl ZINC000095943823 568662811 /nfs/dbraw/zinc/66/28/11/568662811.db2.gz BUGHPYZGTJFKDS-MRXNPFEDSA-N 0 0 411.727 5.046 50 0 HKAARN COC(=O)CN1C(c2cccc(OC)c2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000095945314 568663322 /nfs/dbraw/zinc/66/33/22/568663322.db2.gz BVRHDXQZURVCIF-QHCPKHFHSA-N 0 0 420.896 5.005 50 0 HKAARN COC(=O)CN1C(c2cccc(OC)c2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000095945315 568663330 /nfs/dbraw/zinc/66/33/30/568663330.db2.gz BVRHDXQZURVCIF-HSZRJFAPSA-N 0 0 420.896 5.005 50 0 HKAARN Cc1ccc(-c2cc(-c3ccc(NC(=O)CN4CCCC4)cc3)nc3ccccc32)cc1 ZINC000095945632 568663664 /nfs/dbraw/zinc/66/36/64/568663664.db2.gz LXMTZLIMRABOEK-UHFFFAOYSA-N 0 0 421.544 5.912 50 0 HKAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)nc2ccccc12 ZINC000095945702 568663497 /nfs/dbraw/zinc/66/34/97/568663497.db2.gz CEPPBTLCWVCKRA-UHFFFAOYSA-N 0 0 421.850 5.368 50 0 HKAARN Cc1ccc(C(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000095945977 568663901 /nfs/dbraw/zinc/66/39/01/568663901.db2.gz OQNGHMUQFRVISK-UHFFFAOYSA-N 0 0 410.322 5.741 50 0 HKAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Br)c1 ZINC000095946315 568663918 /nfs/dbraw/zinc/66/39/18/568663918.db2.gz HMPZUNUFEAETQP-IBGZPJMESA-N 0 0 409.283 5.342 50 0 HKAARN Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Br)c1 ZINC000095946316 568663835 /nfs/dbraw/zinc/66/38/35/568663835.db2.gz HMPZUNUFEAETQP-LJQANCHMSA-N 0 0 409.283 5.342 50 0 HKAARN O=C(CSc1nccc(C(F)(F)F)n1)Nc1cccc(Oc2ccccc2)c1 ZINC000095947470 568664954 /nfs/dbraw/zinc/66/49/54/568664954.db2.gz VIDRZUUMNSUMPN-UHFFFAOYSA-N 0 0 405.401 5.019 50 0 HKAARN CCOC(=O)COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000095947687 568665469 /nfs/dbraw/zinc/66/54/69/568665469.db2.gz KZKHSBPDVIBVLV-UHFFFAOYSA-N 0 0 417.892 6.164 50 0 HKAARN Cc1occc1-c1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=S)n1C ZINC000095947969 568665247 /nfs/dbraw/zinc/66/52/47/568665247.db2.gz KVJQKUVITJUBBH-UHFFFAOYSA-N 0 0 404.539 5.198 50 0 HKAARN Cc1occc1-c1nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947975 568665444 /nfs/dbraw/zinc/66/54/44/568665444.db2.gz PDSFEULUILTALB-NRFANRHFSA-N 0 0 422.529 5.338 50 0 HKAARN Cc1occc1-c1nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C ZINC000095947976 568665309 /nfs/dbraw/zinc/66/53/09/568665309.db2.gz PDSFEULUILTALB-OAQYLSRUSA-N 0 0 422.529 5.338 50 0 HKAARN Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)c1ccn(C)c(=O)c1 ZINC000095948427 568665280 /nfs/dbraw/zinc/66/52/80/568665280.db2.gz XTNYQPVLLVFSJM-UHFFFAOYSA-N 0 0 417.292 5.354 50 0 HKAARN O=S(=O)(Cc1c(F)cccc1Cl)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000095948440 568665242 /nfs/dbraw/zinc/66/52/42/568665242.db2.gz AQRLMLHDDKNSII-UHFFFAOYSA-N 0 0 410.844 5.462 50 0 HKAARN O=[S@](Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000095948445 568665471 /nfs/dbraw/zinc/66/54/71/568665471.db2.gz GSLVZPHYLHPMBX-NDEPHWFRSA-N 0 0 410.407 6.022 50 0 HKAARN O=[S@@](Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000095948446 568665436 /nfs/dbraw/zinc/66/54/36/568665436.db2.gz GSLVZPHYLHPMBX-MUUNZHRXSA-N 0 0 410.407 6.022 50 0 HKAARN O=C(Nc1nnc(C2CC2)s1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000095948822 568665607 /nfs/dbraw/zinc/66/56/07/568665607.db2.gz OCKRMZITFBUZCQ-UHFFFAOYSA-N 0 0 403.838 5.555 50 0 HKAARN CN(C(=O)Nc1nc(C(F)(F)F)cs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000095949301 568665987 /nfs/dbraw/zinc/66/59/87/568665987.db2.gz ZGYDTAMQYSZYMJ-INIZCTEOSA-N 0 0 409.408 5.554 50 0 HKAARN CN(C(=O)Nc1nc(C(F)(F)F)cs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000095949302 568665895 /nfs/dbraw/zinc/66/58/95/568665895.db2.gz ZGYDTAMQYSZYMJ-MRXNPFEDSA-N 0 0 409.408 5.554 50 0 HKAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095950235 568667613 /nfs/dbraw/zinc/66/76/13/568667613.db2.gz OINJBNAZPKPZIQ-UHFFFAOYSA-N 0 0 419.896 6.074 50 0 HKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(-c3cnco3)c2)cc1C ZINC000095951302 568667782 /nfs/dbraw/zinc/66/77/82/568667782.db2.gz AVPYTTCGCXPEOS-UHFFFAOYSA-N 0 0 401.491 5.757 50 0 HKAARN CN(Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951866 568667747 /nfs/dbraw/zinc/66/77/47/568667747.db2.gz YXRUCWONYWOLHZ-RBUKOAKNSA-N 0 0 405.350 5.207 50 0 HKAARN CN(Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951867 568667821 /nfs/dbraw/zinc/66/78/21/568667821.db2.gz YXRUCWONYWOLHZ-OALUTQOASA-N 0 0 405.350 5.207 50 0 HKAARN O=S(=O)(Cc1coc(-c2cccs2)n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095953225 568668041 /nfs/dbraw/zinc/66/80/41/568668041.db2.gz TWOKIMDSTDYZCA-UHFFFAOYSA-N 0 0 407.822 5.049 50 0 HKAARN Cc1oc(-c2cccs2)nc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000095953798 568668565 /nfs/dbraw/zinc/66/85/65/568668565.db2.gz VJGPKGWSOYVHJH-UHFFFAOYSA-N 0 0 403.301 5.067 50 0 HKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1[nH]c2ccc(F)cc2c1Cl ZINC000095954715 568669151 /nfs/dbraw/zinc/66/91/51/568669151.db2.gz PMVYUVPGIKDSQT-UHFFFAOYSA-N 0 0 407.257 5.385 50 0 HKAARN O=C(Nc1ccc(Sc2nncs2)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC000095954850 568669023 /nfs/dbraw/zinc/66/90/23/568669023.db2.gz SWGPTJZPZMIJKM-UHFFFAOYSA-N 0 0 413.543 5.669 50 0 HKAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000095956832 568669510 /nfs/dbraw/zinc/66/95/10/568669510.db2.gz YKXMSTJMAPZXBG-NRFANRHFSA-N 0 0 414.427 5.473 50 0 HKAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000095956833 568669650 /nfs/dbraw/zinc/66/96/50/568669650.db2.gz YKXMSTJMAPZXBG-OAQYLSRUSA-N 0 0 414.427 5.473 50 0 HKAARN C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)CCO2 ZINC000095957116 568669535 /nfs/dbraw/zinc/66/95/35/568669535.db2.gz QNLOKSBMUVXWCJ-SSDOTTSWSA-N 0 0 406.096 5.121 50 0 HKAARN Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000095957893 568669607 /nfs/dbraw/zinc/66/96/07/568669607.db2.gz IALSPBZKHNWUGP-UHFFFAOYSA-N 0 0 404.536 5.025 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1CSc1nnc(COc2cccc(C)c2)o1 ZINC000095961576 568670036 /nfs/dbraw/zinc/67/00/36/568670036.db2.gz ALVAOHKKFQMBGN-UHFFFAOYSA-N 0 0 406.511 5.052 50 0 HKAARN CC(C)c1nc(C2(NC(=O)N[C@@H](C)c3ccc(-c4ccncc4)cc3)CCCC2)no1 ZINC000095963324 568670515 /nfs/dbraw/zinc/67/05/15/568670515.db2.gz WDUKMJXGBWZINA-KRWDZBQOSA-N 0 0 419.529 5.085 50 0 HKAARN CC(C)c1nc(C2(NC(=O)N[C@H](C)c3ccc(-c4ccncc4)cc3)CCCC2)no1 ZINC000095963325 568670504 /nfs/dbraw/zinc/67/05/04/568670504.db2.gz WDUKMJXGBWZINA-QGZVFWFLSA-N 0 0 419.529 5.085 50 0 HKAARN Cc1ccc([C@@H](c2ccccn2)N(C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964443 568670558 /nfs/dbraw/zinc/67/05/58/568670558.db2.gz KWLBDSFGWMRXKZ-QHCPKHFHSA-N 0 0 405.567 5.385 50 0 HKAARN Cc1ccc([C@H](c2ccccn2)N(C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964444 568670836 /nfs/dbraw/zinc/67/08/36/568670836.db2.gz KWLBDSFGWMRXKZ-HSZRJFAPSA-N 0 0 405.567 5.385 50 0 HKAARN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cnc(-c3cccnc3)s2)C(C)(C)O1 ZINC000095991725 568677821 /nfs/dbraw/zinc/67/78/21/568677821.db2.gz HJNOKOHLICAFSY-FQEVSTJZSA-N 0 0 421.566 5.194 50 0 HKAARN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cnc(-c3cccnc3)s2)C(C)(C)O1 ZINC000095991726 568677849 /nfs/dbraw/zinc/67/78/49/568677849.db2.gz HJNOKOHLICAFSY-HXUWFJFHSA-N 0 0 421.566 5.194 50 0 HKAARN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095992966 568678115 /nfs/dbraw/zinc/67/81/15/568678115.db2.gz DCLIFWJAXIUTGS-LZLYRXPVSA-N 0 0 409.917 5.130 50 0 HKAARN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095992968 568678081 /nfs/dbraw/zinc/67/80/81/568678081.db2.gz DCLIFWJAXIUTGS-XYJFISCASA-N 0 0 409.917 5.130 50 0 HKAARN CCn1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c(=O)c2cc(Cl)ccc21 ZINC000095993696 568678571 /nfs/dbraw/zinc/67/85/71/568678571.db2.gz BHXCQJMUSMIAOS-UHFFFAOYSA-N 0 0 424.928 5.386 50 0 HKAARN Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)CC3 ZINC000095995883 568678720 /nfs/dbraw/zinc/67/87/20/568678720.db2.gz RWOPSLXKLQLLCM-NRFANRHFSA-N 0 0 401.554 5.001 50 0 HKAARN Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)CC3 ZINC000095995884 568678931 /nfs/dbraw/zinc/67/89/31/568678931.db2.gz RWOPSLXKLQLLCM-OAQYLSRUSA-N 0 0 401.554 5.001 50 0 HKAARN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000095996118 568678820 /nfs/dbraw/zinc/67/88/20/568678820.db2.gz DHYMQSYMVRHYQE-UHFFFAOYSA-N 0 0 422.495 5.146 50 0 HKAARN Cn1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccnc2)n1 ZINC000095996678 568679203 /nfs/dbraw/zinc/67/92/03/568679203.db2.gz AMWXPCWSVIPROV-UHFFFAOYSA-N 0 0 400.326 5.132 50 0 HKAARN COc1cccc(-c2nn(C(C)(C)C)cc2CNc2cccc(CCOC(C)=O)c2)c1 ZINC000095997214 568679132 /nfs/dbraw/zinc/67/91/32/568679132.db2.gz BQMNGBYVEXTDBJ-UHFFFAOYSA-N 0 0 421.541 5.031 50 0 HKAARN Cc1ccc(OCc2nc(CC(=O)N(Cc3ccccc3)C(C)(C)C)cs2)cc1 ZINC000095997552 568679425 /nfs/dbraw/zinc/67/94/25/568679425.db2.gz KWXVYSMWNILQNS-UHFFFAOYSA-N 0 0 408.567 5.400 50 0 HKAARN Cc1cnc([C@H](C)NCc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)o1 ZINC000096003617 568681813 /nfs/dbraw/zinc/68/18/13/568681813.db2.gz GKDQAAOBGGXCNV-FQEVSTJZSA-N 0 0 400.526 5.362 50 0 HKAARN Cc1cnc([C@@H](C)NCc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)o1 ZINC000096003618 568681863 /nfs/dbraw/zinc/68/18/63/568681863.db2.gz GKDQAAOBGGXCNV-HXUWFJFHSA-N 0 0 400.526 5.362 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(SC[C@@H](C)C(=O)c3ccc(F)c(F)c3)o2)c1 ZINC000096006593 568682859 /nfs/dbraw/zinc/68/28/59/568682859.db2.gz SKKGMXWHGJWWOR-CQSZACIVSA-N 0 0 418.465 5.155 50 0 HKAARN Cc1ccc(C)c(OCc2nnc(SC[C@H](C)C(=O)c3ccc(F)c(F)c3)o2)c1 ZINC000096006594 568682910 /nfs/dbraw/zinc/68/29/10/568682910.db2.gz SKKGMXWHGJWWOR-AWEZNQCLSA-N 0 0 418.465 5.155 50 0 HKAARN O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000096006660 568682963 /nfs/dbraw/zinc/68/29/63/568682963.db2.gz OPLLMLNYSGKRKN-UHFFFAOYSA-N 0 0 408.672 5.827 50 0 HKAARN O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000096006662 568682912 /nfs/dbraw/zinc/68/29/12/568682912.db2.gz QXIFGWGGQDYJAY-UHFFFAOYSA-N 0 0 407.779 5.539 50 0 HKAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc2c(s1)CCC2 ZINC000096009104 568683520 /nfs/dbraw/zinc/68/35/20/568683520.db2.gz PHWWMCDFZQYCOU-UHFFFAOYSA-N 0 0 414.328 5.017 50 0 HKAARN CCCc1noc2nc(-c3cccnc3)cc(C(=O)Nc3nccc4sccc43)c12 ZINC000096011149 568683928 /nfs/dbraw/zinc/68/39/28/568683928.db2.gz YJTRKSJLYALQAA-UHFFFAOYSA-N 0 0 415.478 5.099 50 0 HKAARN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(C(C)C)nc1 ZINC000096011152 568684053 /nfs/dbraw/zinc/68/40/53/568684053.db2.gz MMNPRIOJRUNZIU-UHFFFAOYSA-N 0 0 411.290 5.496 50 0 HKAARN Cc1noc(C2CC2)c1C(=O)N1CCCc2c(NC(=O)OC(C)(C)C)ccc(C)c21 ZINC000096011154 568683901 /nfs/dbraw/zinc/68/39/01/568683901.db2.gz BZSATAUJOUKXHR-UHFFFAOYSA-N 0 0 411.502 5.109 50 0 HKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000096011210 568683995 /nfs/dbraw/zinc/68/39/95/568683995.db2.gz AURMWJLSSYKPRI-UHFFFAOYSA-N 0 0 423.900 5.182 50 0 HKAARN CCc1noc(-c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c(Cl)c2)n1 ZINC000096011740 568684273 /nfs/dbraw/zinc/68/42/73/568684273.db2.gz CILKARRMERPBOL-UHFFFAOYSA-N 0 0 414.651 5.651 50 0 HKAARN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc32)CC1 ZINC000096012071 568684575 /nfs/dbraw/zinc/68/45/75/568684575.db2.gz DALHKKQAXVEROW-FGZHOGPDSA-N 0 0 422.450 5.673 50 0 HKAARN O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc32)CC1 ZINC000096012072 568684617 /nfs/dbraw/zinc/68/46/17/568684617.db2.gz DALHKKQAXVEROW-YADHBBJMSA-N 0 0 422.450 5.673 50 0 HKAARN O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc32)CC1 ZINC000096012073 568684570 /nfs/dbraw/zinc/68/45/70/568684570.db2.gz DALHKKQAXVEROW-FCHUYYIVSA-N 0 0 422.450 5.673 50 0 HKAARN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc32)CC1 ZINC000096012074 568684479 /nfs/dbraw/zinc/68/44/79/568684479.db2.gz DALHKKQAXVEROW-VXKWHMMOSA-N 0 0 422.450 5.673 50 0 HKAARN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000096012093 568684460 /nfs/dbraw/zinc/68/44/60/568684460.db2.gz PEVXRWMEYHVUBP-JOCHJYFZSA-N 0 0 419.569 5.315 50 0 HKAARN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000096012094 568684530 /nfs/dbraw/zinc/68/45/30/568684530.db2.gz PEVXRWMEYHVUBP-QFIPXVFZSA-N 0 0 419.569 5.315 50 0 HKAARN CCS(=O)(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2cc(C)ccc2n1 ZINC000096012474 568684715 /nfs/dbraw/zinc/68/47/15/568684715.db2.gz MYIJMHBBBSLKFM-UHFFFAOYSA-N 0 0 402.519 5.639 50 0 HKAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000096021485 569049168 /nfs/dbraw/zinc/04/91/68/569049168.db2.gz BAPJMNBIESXIAM-RQZCQDPDSA-N 0 0 402.256 5.178 50 0 HKAARN O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C/c1cnn(-c2ccccc2)c1 ZINC000096021659 568686023 /nfs/dbraw/zinc/68/60/23/568686023.db2.gz IIPDEKBRQPLFEH-HZHRSRAPSA-N 0 0 407.429 5.009 50 0 HKAARN c1cc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cs1 ZINC000096024368 568685963 /nfs/dbraw/zinc/68/59/63/568685963.db2.gz ZLDHUUGMEWEXNH-UHFFFAOYSA-N 0 0 408.552 5.301 50 0 HKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096024927 568686258 /nfs/dbraw/zinc/68/62/58/568686258.db2.gz TZLYFWTUPZNZBR-UHFFFAOYSA-N 0 0 420.896 5.043 50 0 HKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096024958 568686270 /nfs/dbraw/zinc/68/62/70/568686270.db2.gz DGIYUKUAZRCTAO-UHFFFAOYSA-N 0 0 421.928 5.077 50 0 HKAARN O=C1c2ccccc2C(=O)N1CCCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000096027326 568686801 /nfs/dbraw/zinc/68/68/01/568686801.db2.gz KMADBJIKONNZNR-UHFFFAOYSA-N 0 0 423.516 5.560 50 0 HKAARN CC(C)(C)Cn1c(N)nc2c1nccc2-c1[nH]c(C(C)(C)C)nc1-c1ccc(F)cc1 ZINC000096029327 568686988 /nfs/dbraw/zinc/68/69/88/568686988.db2.gz NYEQBUGWNAVBSQ-UHFFFAOYSA-N 0 0 420.536 5.553 50 0 HKAARN O=C(/C=C\c1ccc(Br)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000096035468 568687326 /nfs/dbraw/zinc/68/73/26/568687326.db2.gz BSBDYDZGZYPUQQ-GDAGCXPBSA-N 0 0 403.301 5.029 50 0 HKAARN O=C(/C=C\c1ccc(Br)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096035469 568687331 /nfs/dbraw/zinc/68/73/31/568687331.db2.gz BSBDYDZGZYPUQQ-QQBNSCQMSA-N 0 0 403.301 5.029 50 0 HKAARN O=c1c2ccccc2nc(/C=C/c2ccc(F)c(F)c2)n1-c1ccc(F)c(Cl)c1 ZINC000096095921 568688719 /nfs/dbraw/zinc/68/87/19/568688719.db2.gz AKECIHAVBCIHQR-UXBLZVDNSA-N 0 0 412.798 5.627 50 0 HKAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)/C=C/c3ccccc3)ccc21 ZINC000096095959 568688822 /nfs/dbraw/zinc/68/88/22/568688822.db2.gz FZEKKNOKLWJRAO-SDNWHVSQSA-N 0 0 417.553 5.479 50 0 HKAARN O=C(/C=C/c1ccccc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096095980 568688960 /nfs/dbraw/zinc/68/89/60/568688960.db2.gz OCIVRKFBWDZLAB-WUKNDPDISA-N 0 0 409.489 5.021 50 0 HKAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)/C=C/c3ccccc3)n2)cc1 ZINC000096096014 568688916 /nfs/dbraw/zinc/68/89/16/568688916.db2.gz UYJWUIQCBVANAP-SAPNQHFASA-N 0 0 423.516 5.330 50 0 HKAARN C/C=C/Cn1c(C(=O)NCc2ccc(F)cc2)cc2scc(Br)c21 ZINC000096096052 568688874 /nfs/dbraw/zinc/68/88/74/568688874.db2.gz WIIOQEPQFVERAP-NSCUHMNNSA-N 0 0 407.308 5.111 50 0 HKAARN CCCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096145 568688954 /nfs/dbraw/zinc/68/89/54/568688954.db2.gz UPPDFOWRDSWEFC-NTEUORMPSA-N 0 0 409.917 5.275 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096096154 568688894 /nfs/dbraw/zinc/68/88/94/568688894.db2.gz YTCCBNHZSVCTTL-CYRLCEIUSA-N 0 0 409.917 5.615 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096096155 568688884 /nfs/dbraw/zinc/68/88/84/568688884.db2.gz YTCCBNHZSVCTTL-HWGQOJROSA-N 0 0 409.917 5.615 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096096156 568688935 /nfs/dbraw/zinc/68/89/35/568688935.db2.gz YTCCBNHZSVCTTL-JBBTXVDCSA-N 0 0 409.917 5.615 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096096157 568688957 /nfs/dbraw/zinc/68/89/57/568688957.db2.gz YTCCBNHZSVCTTL-KJXOFOIRSA-N 0 0 409.917 5.615 50 0 HKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096182 568688871 /nfs/dbraw/zinc/68/88/71/568688871.db2.gz PTDDQYZNEMVHNT-RKCSUWQLSA-N 0 0 409.917 5.273 50 0 HKAARN CC[C@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096183 568688907 /nfs/dbraw/zinc/68/89/07/568688907.db2.gz PTDDQYZNEMVHNT-ZGUWOUCSSA-N 0 0 409.917 5.273 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096602 568689206 /nfs/dbraw/zinc/68/92/06/568689206.db2.gz YFNWIDPBHQQMIN-UHFFFAOYSA-N 0 0 422.432 5.228 50 0 HKAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1ccccc1Br ZINC000096096716 568689245 /nfs/dbraw/zinc/68/92/45/568689245.db2.gz JUKFSEWHTPJVNM-UHFFFAOYSA-N 0 0 401.329 5.119 50 0 HKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2cccs2)on1 ZINC000096096735 568689424 /nfs/dbraw/zinc/68/94/24/568689424.db2.gz CUHKVXFMMXIGCR-UHFFFAOYSA-N 0 0 415.927 5.418 50 0 HKAARN Cc1nc(N2CCCC2)nc(C)c1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096098652 568689837 /nfs/dbraw/zinc/68/98/37/568689837.db2.gz RCELZHKDRWQWAM-UHFFFAOYSA-N 0 0 413.831 5.010 50 0 HKAARN O=C(NCc1nn(C2CCCC2)c2c1CCCC2)Nc1cccc(C(F)(F)F)c1 ZINC000096099257 568690032 /nfs/dbraw/zinc/69/00/32/568690032.db2.gz ZIUZVVMBHIJZRT-UHFFFAOYSA-N 0 0 406.452 5.218 50 0 HKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099896 568690979 /nfs/dbraw/zinc/69/09/79/568690979.db2.gz NLEDDTXDDKEYJD-UHFFFAOYSA-N 0 0 424.378 5.141 50 0 HKAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)Cc1ccc(Br)cc1 ZINC000096102823 568691454 /nfs/dbraw/zinc/69/14/54/568691454.db2.gz OOHFNGFJRIWQMO-UHFFFAOYSA-N 0 0 415.356 5.048 50 0 HKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1Br ZINC000096102829 568691540 /nfs/dbraw/zinc/69/15/40/568691540.db2.gz NTCXTMHFLQNTDA-UHFFFAOYSA-N 0 0 421.747 5.464 50 0 HKAARN O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096102975 568691633 /nfs/dbraw/zinc/69/16/33/568691633.db2.gz KEGWJZCVPBARTJ-UHFFFAOYSA-N 0 0 405.845 5.020 50 0 HKAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cc(Br)cs1 ZINC000096103572 568691840 /nfs/dbraw/zinc/69/18/40/568691840.db2.gz AVORTYVGMHHGJB-UHFFFAOYSA-N 0 0 415.268 5.121 50 0 HKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1SC(F)F ZINC000096103578 568691875 /nfs/dbraw/zinc/69/18/75/568691875.db2.gz FGXOGXCEBWQQSO-UHFFFAOYSA-N 0 0 414.433 5.050 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000096104090 568692084 /nfs/dbraw/zinc/69/20/84/568692084.db2.gz VIUUXHVOKKUONV-UHFFFAOYSA-N 0 0 401.938 5.003 50 0 HKAARN COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CCC(OC)CC4)cc3)cc2)c1 ZINC000096104471 568692323 /nfs/dbraw/zinc/69/23/23/568692323.db2.gz RJNHSYURJRBSAO-UHFFFAOYSA-N 0 0 416.521 5.230 50 0 HKAARN COC1CCN(c2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000096104478 568692285 /nfs/dbraw/zinc/69/22/85/568692285.db2.gz JXMHLYFYSUQGDG-UHFFFAOYSA-N 0 0 407.341 5.180 50 0 HKAARN COc1ccc2ccccc2c1CCC(=O)Nc1ccc(N2CCC(OC)CC2)cc1 ZINC000096104479 568692408 /nfs/dbraw/zinc/69/24/08/568692408.db2.gz YUIOJSNHYFQGSU-UHFFFAOYSA-N 0 0 418.537 5.035 50 0 HKAARN COC1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(F)cc4)c3)cc2)CC1 ZINC000096104490 568692274 /nfs/dbraw/zinc/69/22/74/568692274.db2.gz YYUYLMNYGSAUNQ-UHFFFAOYSA-N 0 0 420.484 5.486 50 0 HKAARN COC1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000096104493 568692293 /nfs/dbraw/zinc/69/22/93/568692293.db2.gz IJPVFLVMTZOSMU-UHFFFAOYSA-N 0 0 400.522 5.072 50 0 HKAARN COC1CCN(c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000096104518 568692373 /nfs/dbraw/zinc/69/23/73/568692373.db2.gz QLYVYAOANVNATN-UHFFFAOYSA-N 0 0 415.537 5.213 50 0 HKAARN O=C(NCc1cccc(Oc2ccccn2)c1)C1c2ccccc2Oc2ccccc21 ZINC000096104537 568692439 /nfs/dbraw/zinc/69/24/39/568692439.db2.gz SKGRDXIZDWFWLE-UHFFFAOYSA-N 0 0 408.457 5.428 50 0 HKAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3cccc4[nH]ccc43)c(=O)oc1c2C ZINC000096115077 568694609 /nfs/dbraw/zinc/69/46/09/568694609.db2.gz DSQUFVDVQJDWPX-UHFFFAOYSA-N 0 0 414.461 5.517 50 0 biogenic HKAARN COc1ccccc1NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096115350 568695012 /nfs/dbraw/zinc/69/50/12/568695012.db2.gz STAIKGBFPCSCLU-UHFFFAOYSA-N 0 0 405.450 5.044 50 0 biogenic HKAARN COc1cc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc(OC)c1OC ZINC000096116513 568696169 /nfs/dbraw/zinc/69/61/69/568696169.db2.gz QYGQSTQFOXUQCQ-JXMROGBWSA-N 0 0 416.473 6.218 50 0 biogenic HKAARN O=C(/C(=C\c1ccccc1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000096117676 568697341 /nfs/dbraw/zinc/69/73/41/568697341.db2.gz KCPVSXNMBYCWHI-PLRJNAJWSA-N 0 0 416.952 5.225 50 0 HKAARN O=C(Nc1cccc(/C=C\c2ccccn2)c1)c1cc(Br)ccc1Cl ZINC000096117677 568697255 /nfs/dbraw/zinc/69/72/55/568697255.db2.gz QCIGRGVVRQUTMG-CLFYSBASSA-N 0 0 413.702 5.920 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc32)S1 ZINC000096118259 568697705 /nfs/dbraw/zinc/69/77/05/568697705.db2.gz NJZKWLJAYGXQMC-UZLBHIALSA-N 0 0 407.539 5.346 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc32)S1 ZINC000096118260 568697837 /nfs/dbraw/zinc/69/78/37/568697837.db2.gz NJZKWLJAYGXQMC-JXFKEZNVSA-N 0 0 407.539 5.346 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc32)S1 ZINC000096118261 568697908 /nfs/dbraw/zinc/69/79/08/568697908.db2.gz NJZKWLJAYGXQMC-OXQOHEQNSA-N 0 0 407.539 5.346 50 0 HKAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc32)S1 ZINC000096118262 568697712 /nfs/dbraw/zinc/69/77/12/568697712.db2.gz NJZKWLJAYGXQMC-OXJNMPFZSA-N 0 0 407.539 5.346 50 0 HKAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2CCC(C)C ZINC000096118705 568698303 /nfs/dbraw/zinc/69/83/03/568698303.db2.gz RIORGRNZONDLLK-UHFFFAOYSA-N 0 0 416.525 5.239 50 0 HKAARN CC(C)(C)C1CCC(CC(=O)NCCCc2nc3ccccc3[nH]2)(n2cccc2)CC1 ZINC000096118859 568698543 /nfs/dbraw/zinc/69/85/43/568698543.db2.gz XPPHMSQENJNAPY-UHFFFAOYSA-N 0 0 420.601 5.435 50 0 HKAARN O=C(N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1)C1(c2cccs2)CCCC1 ZINC000096119086 568698518 /nfs/dbraw/zinc/69/85/18/568698518.db2.gz QWHKXQNDNBEFBJ-HNNXBMFYSA-N 0 0 413.568 5.078 50 0 HKAARN O=C(N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1)C1(c2cccs2)CCCC1 ZINC000096119087 568698679 /nfs/dbraw/zinc/69/86/79/568698679.db2.gz QWHKXQNDNBEFBJ-OAHLLOKOSA-N 0 0 413.568 5.078 50 0 HKAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000096119221 568698815 /nfs/dbraw/zinc/69/88/15/568698815.db2.gz OHJHLGFKWXFWSH-UHFFFAOYSA-N 0 0 420.456 5.141 50 0 HKAARN O=C(Nc1ccccc1Cc1nc(C2CC2)no1)C(c1ccccc1)c1ccccc1 ZINC000096119594 568698894 /nfs/dbraw/zinc/69/88/94/568698894.db2.gz TXVWKYUTBIMGGV-UHFFFAOYSA-N 0 0 409.489 5.308 50 0 HKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(C2CC2)no1 ZINC000096119611 568698855 /nfs/dbraw/zinc/69/88/55/568698855.db2.gz IVLBYDOUOFXNKU-UHFFFAOYSA-N 0 0 402.376 5.201 50 0 HKAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1C(F)(F)F ZINC000096119668 568698919 /nfs/dbraw/zinc/69/89/19/568698919.db2.gz SZAIQFLCJYZMOM-UHFFFAOYSA-N 0 0 413.355 5.192 50 0 HKAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119673 568698847 /nfs/dbraw/zinc/69/88/47/568698847.db2.gz MIQQBUUOTAWATL-UHFFFAOYSA-N 0 0 409.445 5.255 50 0 HKAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1(c2cccs2)CCCC1 ZINC000096119693 568699028 /nfs/dbraw/zinc/69/90/28/568699028.db2.gz BQEGQUVSMARRDH-UHFFFAOYSA-N 0 0 419.506 5.432 50 0 HKAARN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119725 568699004 /nfs/dbraw/zinc/69/90/04/568699004.db2.gz SZBIDKLVVBYAFC-VAWYXSNFSA-N 0 0 421.909 5.694 50 0 HKAARN O=C(CSCc1ccccc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119737 568699038 /nfs/dbraw/zinc/69/90/38/568699038.db2.gz MERHBMAUVBRJSG-UHFFFAOYSA-N 0 0 421.547 5.261 50 0 HKAARN CCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119741 568699016 /nfs/dbraw/zinc/69/90/16/568699016.db2.gz KIOZTIRTUFADEC-UHFFFAOYSA-N 0 0 421.547 5.753 50 0 HKAARN O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119747 568699086 /nfs/dbraw/zinc/69/90/86/568699086.db2.gz YAHPVGDWXISXRL-UHFFFAOYSA-N 0 0 409.898 5.224 50 0 HKAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1nc2ccccc2s1 ZINC000096119750 568699116 /nfs/dbraw/zinc/69/91/16/568699116.db2.gz BOUIJKRULNWEQI-UHFFFAOYSA-N 0 0 418.503 5.251 50 0 HKAARN O=C(CCSc1ccccc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119755 568699074 /nfs/dbraw/zinc/69/90/74/568699074.db2.gz GNAQTHUOLVFBDG-UHFFFAOYSA-N 0 0 421.547 5.510 50 0 HKAARN O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119765 568699009 /nfs/dbraw/zinc/69/90/09/568699009.db2.gz IFEZPVLNSWWQSW-UHFFFAOYSA-N 0 0 410.886 5.686 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119766 568699109 /nfs/dbraw/zinc/69/91/09/568699109.db2.gz DZIOBZDOCBMDQA-UHFFFAOYSA-N 0 0 420.494 5.432 50 0 HKAARN O=C(NCc1ccc(C(=O)c2ccco2)s1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096119801 568699092 /nfs/dbraw/zinc/69/90/92/568699092.db2.gz WZFQXRANKWMARB-UHFFFAOYSA-N 0 0 413.926 5.354 50 0 HKAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000096119917 568699033 /nfs/dbraw/zinc/69/90/33/568699033.db2.gz SFWKUOONLXLVFW-UHFFFAOYSA-N 0 0 423.481 5.308 50 0 HKAARN O=C(CCc1ccccc1Br)N(Cc1ccsc1)Cc1ccco1 ZINC000096120260 568699281 /nfs/dbraw/zinc/69/92/81/568699281.db2.gz MVDZWBYGAJHZIR-UHFFFAOYSA-N 0 0 404.329 5.265 50 0 HKAARN O=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccco1 ZINC000096120278 568699268 /nfs/dbraw/zinc/69/92/68/568699268.db2.gz PELGHGGRTBYEKJ-UHFFFAOYSA-N 0 0 418.356 5.308 50 0 HKAARN O=C(CCc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccco1 ZINC000096120279 568699317 /nfs/dbraw/zinc/69/93/17/568699317.db2.gz ARBNSMQJUOYONA-UHFFFAOYSA-N 0 0 407.457 5.564 50 0 HKAARN O=C(CCc1ccccc1Br)N(Cc1ccoc1)Cc1cccs1 ZINC000096120655 568699496 /nfs/dbraw/zinc/69/94/96/568699496.db2.gz ADCSVPKCIXDYKX-UHFFFAOYSA-N 0 0 404.329 5.265 50 0 HKAARN O=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccoc1 ZINC000096120672 568699456 /nfs/dbraw/zinc/69/94/56/568699456.db2.gz PKRAUUHCMYYAIJ-UHFFFAOYSA-N 0 0 418.356 5.308 50 0 HKAARN O=C(CCc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccoc1 ZINC000096120674 568699563 /nfs/dbraw/zinc/69/95/63/568699563.db2.gz QDXSIAXCWPVSES-UHFFFAOYSA-N 0 0 407.457 5.564 50 0 HKAARN COc1ccc(Br)c(C(=O)NCc2ccccc2-c2ccsc2)c1 ZINC000096122901 568700260 /nfs/dbraw/zinc/70/02/60/568700260.db2.gz HIZHVFYOOWVDIM-UHFFFAOYSA-N 0 0 402.313 5.116 50 0 HKAARN O=C(CSC1CCCC1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124418 568700809 /nfs/dbraw/zinc/70/08/09/568700809.db2.gz FAVVSAMNZOJCJY-UHFFFAOYSA-N 0 0 410.568 5.563 50 0 HKAARN COc1ccccc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124425 568700698 /nfs/dbraw/zinc/70/06/98/568700698.db2.gz CDJQBDAZPDMYNH-UHFFFAOYSA-N 0 0 402.479 5.210 50 0 HKAARN COc1cccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)c1 ZINC000096124426 568700755 /nfs/dbraw/zinc/70/07/55/568700755.db2.gz BMMRQXJMBAZQDL-UHFFFAOYSA-N 0 0 402.479 5.210 50 0 HKAARN COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 ZINC000096124427 568700791 /nfs/dbraw/zinc/70/07/91/568700791.db2.gz VZYZPUGJJUPSEI-UHFFFAOYSA-N 0 0 402.479 5.210 50 0 HKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccccc1Cl ZINC000096124431 568700796 /nfs/dbraw/zinc/70/07/96/568700796.db2.gz QUFRFALSJMMUJF-UHFFFAOYSA-N 0 0 406.898 5.854 50 0 HKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1c(F)cccc1F ZINC000096124432 568700775 /nfs/dbraw/zinc/70/07/75/568700775.db2.gz WHSLBOMCFUWRTD-UHFFFAOYSA-N 0 0 408.433 5.479 50 0 HKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)c(F)c1 ZINC000096124433 568700834 /nfs/dbraw/zinc/70/08/34/568700834.db2.gz ZTZPCTSECAVJIQ-UHFFFAOYSA-N 0 0 408.433 5.479 50 0 HKAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124434 568700751 /nfs/dbraw/zinc/70/07/51/568700751.db2.gz HSJCDOFXHOCOCY-INIZCTEOSA-N 0 0 416.506 5.355 50 0 HKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124435 568700883 /nfs/dbraw/zinc/70/08/83/568700883.db2.gz HSJCDOFXHOCOCY-MRXNPFEDSA-N 0 0 416.506 5.355 50 0 HKAARN O=C(COc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124436 568700722 /nfs/dbraw/zinc/70/07/22/568700722.db2.gz WVEYGHHMQQRSTO-UHFFFAOYSA-N 0 0 420.469 5.105 50 0 HKAARN O=C(COc1ccc(F)cc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124437 568700714 /nfs/dbraw/zinc/70/07/14/568700714.db2.gz GVHCKYYOAOPQBD-UHFFFAOYSA-N 0 0 420.469 5.105 50 0 HKAARN CSc1ccccc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124439 568700879 /nfs/dbraw/zinc/70/08/79/568700879.db2.gz HDWGJQNTPKRDRN-UHFFFAOYSA-N 0 0 418.547 5.923 50 0 HKAARN CCCc1nnsc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124443 568700819 /nfs/dbraw/zinc/70/08/19/568700819.db2.gz SSIDXDIDFWAVCT-UHFFFAOYSA-N 0 0 422.539 5.005 50 0 HKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cc(C2CC2)on1 ZINC000096124445 568700889 /nfs/dbraw/zinc/70/08/89/568700889.db2.gz GIOPQMPVDGQOCU-UHFFFAOYSA-N 0 0 403.467 5.066 50 0 HKAARN Brc1cc(Br)c2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000096124678 568701049 /nfs/dbraw/zinc/70/10/49/568701049.db2.gz TZHVKRAFGKWWDZ-UHFFFAOYSA-N 0 0 412.124 6.199 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3ccc([C@@H]4CC[C@H](CCC)C4)cc3)cc2)CC1 ZINC000096124697 568700954 /nfs/dbraw/zinc/70/09/54/568700954.db2.gz YZTYPQPNRXJLSG-JOMWDJAQSA-N 0 0 416.693 9.892 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3ccc([C@H]4CC[C@H](CCC)C4)cc3)cc2)CC1 ZINC000096124698 568700990 /nfs/dbraw/zinc/70/09/90/568700990.db2.gz YZTYPQPNRXJLSG-MQIOWGCLSA-N 0 0 416.693 9.892 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3ccc([C@@H]4CC[C@@H](CCC)C4)cc3)cc2)CC1 ZINC000096124699 568701126 /nfs/dbraw/zinc/70/11/26/568701126.db2.gz YZTYPQPNRXJLSG-DSLCSNCNSA-N 0 0 416.693 9.892 50 0 HKAARN CCCCCC1CCC(c2ccc(-c3ccc([C@H]4CC[C@@H](CCC)C4)cc3)cc2)CC1 ZINC000096124700 568701042 /nfs/dbraw/zinc/70/10/42/568701042.db2.gz 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ZINC000096136965 568702220 /nfs/dbraw/zinc/70/22/20/568702220.db2.gz ZWBZMZMFUIKYRE-OWOJBTEDSA-N 0 0 423.346 6.716 50 0 HKAARN COc1cc([C@@H]2CC(c3cccs3)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000096136991 568702182 /nfs/dbraw/zinc/70/21/82/568702182.db2.gz YDBGKQAJTOSWRX-FQEVSTJZSA-N 0 0 406.507 5.033 50 0 HKAARN COc1cc([C@H]2CC(c3cccs3)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000096136994 568702128 /nfs/dbraw/zinc/70/21/28/568702128.db2.gz YDBGKQAJTOSWRX-HXUWFJFHSA-N 0 0 406.507 5.033 50 0 HKAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1 ZINC000096137274 568702139 /nfs/dbraw/zinc/70/21/39/568702139.db2.gz GQNUWCWTMTXWPX-JLHYYAGUSA-N 0 0 410.461 5.027 50 0 HKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1Cl ZINC000096170987 559101018 /nfs/dbraw/zinc/10/10/18/559101018.db2.gz LZQPDXXDVZYJON-UHFFFAOYSA-N 0 0 409.589 5.645 50 0 HKAARN O=C(Nc1cccc2c1CCCC2)c1ccc(I)cc1Cl ZINC000096171194 559100993 /nfs/dbraw/zinc/10/09/93/559100993.db2.gz FUKFMSFHJDBYEZ-UHFFFAOYSA-N 0 0 411.670 5.076 50 0 HKAARN Cc1cccc2sc(NC(=O)CCCN3C(=O)CC(C)(C)c4ccccc43)nc21 ZINC000096183657 568703019 /nfs/dbraw/zinc/70/30/19/568703019.db2.gz BWBXLZSYGSKXAU-UHFFFAOYSA-N 0 0 407.539 5.038 50 0 HKAARN CCCn1c(CNC(=O)c2ccc(Oc3ccccc3Cl)o2)nc2ccccc21 ZINC000096183836 568703126 /nfs/dbraw/zinc/70/31/26/568703126.db2.gz ZBTSYLVKALKBKN-UHFFFAOYSA-N 0 0 409.873 5.415 50 0 HKAARN O=C(c1coc2ccc(OCc3ccc(Br)cc3)cc12)c1ccccc1 ZINC000096184089 568702890 /nfs/dbraw/zinc/70/28/90/568702890.db2.gz HEWWNFRGMYDPHL-UHFFFAOYSA-N 0 0 407.263 6.005 50 0 HKAARN O=C(c1coc2ccc(OCc3cccc(Br)c3)cc12)c1ccccc1 ZINC000096184094 568703267 /nfs/dbraw/zinc/70/32/67/568703267.db2.gz BDXJNEIFQJMMIE-UHFFFAOYSA-N 0 0 407.263 6.005 50 0 HKAARN COc1cccc(C(=O)c2coc3ccc(OCc4c(F)cccc4Cl)cc32)c1 ZINC000096184098 568703405 /nfs/dbraw/zinc/70/34/05/568703405.db2.gz REGSPSZKWGMVSQ-UHFFFAOYSA-N 0 0 410.828 6.044 50 0 HKAARN O=C(Nc1c2nsnc2c(Cl)cc1Cl)c1sc2ccccc2c1Cl ZINC000096190231 568703387 /nfs/dbraw/zinc/70/33/87/568703387.db2.gz AQNDPEHNRCYTQZ-UHFFFAOYSA-N 0 0 414.726 6.119 50 0 HKAARN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000096191220 559101146 /nfs/dbraw/zinc/10/11/46/559101146.db2.gz SJTXNVVRJGXXSI-HWVXOFFASA-N 0 0 404.318 6.176 50 0 HKAARN Brc1ccc(-c2nc3c(-c4ccccc4)cnn3c3c2CCCC3)cc1 ZINC000096191558 568703601 /nfs/dbraw/zinc/70/36/01/568703601.db2.gz IGZCTIBRCKWUEE-UHFFFAOYSA-N 0 0 404.311 5.705 50 0 HKAARN Cc1nn2c(nnc(C(=O)c3ccc(Cl)cc3)c2C(F)(F)F)c1-c1ccccc1 ZINC000096191631 568703587 /nfs/dbraw/zinc/70/35/87/568703587.db2.gz NIJBQZHLXMDYRJ-UHFFFAOYSA-N 0 0 416.790 5.003 50 0 HKAARN CCOC(=O)CCCCCCCCC(=O)N1CCCc2cc(Br)ccc21 ZINC000096191702 559101133 /nfs/dbraw/zinc/10/11/33/559101133.db2.gz HYTHVKYWUYTWOQ-UHFFFAOYSA-N 0 0 424.379 5.412 50 0 HKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1SCC(=O)c1ccc2c(c1)CCC2 ZINC000096191745 559101100 /nfs/dbraw/zinc/10/11/00/559101100.db2.gz VVYOSCJBZKSXCR-SFHVURJKSA-N 0 0 412.558 6.109 50 0 HKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1SCC(=O)c1ccc2c(c1)CCC2 ZINC000096191746 559101148 /nfs/dbraw/zinc/10/11/48/559101148.db2.gz VVYOSCJBZKSXCR-GOSISDBHSA-N 0 0 412.558 6.109 50 0 HKAARN CCOc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1OCC ZINC000096193822 559101178 /nfs/dbraw/zinc/10/11/78/559101178.db2.gz GMBNIJBSWKOAOR-UHFFFAOYSA-N 0 0 406.467 5.063 50 0 HKAARN Clc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4o3)s2)c(Cl)c1 ZINC000096193907 568703868 /nfs/dbraw/zinc/70/38/68/568703868.db2.gz XICXQRWNKQICPZ-UHFFFAOYSA-N 0 0 417.277 5.485 50 0 HKAARN CCc1cccc(CC)c1NC(=O)c1ccc(-c2sc3ncccc3c2N)cc1 ZINC000096193961 568703854 /nfs/dbraw/zinc/70/38/54/568703854.db2.gz IDFNYYGEGGDYPN-UHFFFAOYSA-N 0 0 401.535 5.923 50 0 HKAARN Cc1ccc(C(C)C)cc1OCCn1cc(C(=S)N2CCCCC2)c2ccccc21 ZINC000096193994 568703815 /nfs/dbraw/zinc/70/38/15/568703815.db2.gz KTCQVFSEXGGBCQ-UHFFFAOYSA-N 0 0 420.622 6.314 50 0 HKAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(Br)cc3)nn21 ZINC000096194116 568703811 /nfs/dbraw/zinc/70/38/11/568703811.db2.gz JXRJGWVCJCDZDN-UHFFFAOYSA-N 0 0 411.284 5.337 50 0 HKAARN COc1ccc(/C=C/c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1OC ZINC000096194388 559101270 /nfs/dbraw/zinc/10/12/70/559101270.db2.gz TVSNUCJSSCZIOT-PKNBQFBNSA-N 0 0 418.478 5.095 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000096203738 568704168 /nfs/dbraw/zinc/70/41/68/568704168.db2.gz HPNLAZUBZYVLTN-FQEVSTJZSA-N 0 0 402.391 5.200 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000096203739 568704214 /nfs/dbraw/zinc/70/42/14/568704214.db2.gz HPNLAZUBZYVLTN-HXUWFJFHSA-N 0 0 402.391 5.200 50 0 HKAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(C)cc2)cc1C(F)(F)F ZINC000096203742 568704447 /nfs/dbraw/zinc/70/44/47/568704447.db2.gz QWEWTRKYLSEZAI-OAQYLSRUSA-N 0 0 414.427 5.069 50 0 HKAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1C(F)(F)F ZINC000096203743 568704430 /nfs/dbraw/zinc/70/44/30/568704430.db2.gz QWEWTRKYLSEZAI-NRFANRHFSA-N 0 0 414.427 5.069 50 0 HKAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1F ZINC000096203746 568704438 /nfs/dbraw/zinc/70/44/38/568704438.db2.gz CFDRTULDEWPQCO-FQEVSTJZSA-N 0 0 403.284 5.488 50 0 HKAARN Cc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)ccc1F ZINC000096203747 568704467 /nfs/dbraw/zinc/70/44/67/568704467.db2.gz CFDRTULDEWPQCO-HXUWFJFHSA-N 0 0 403.284 5.488 50 0 HKAARN COc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000096203764 568704323 /nfs/dbraw/zinc/70/43/23/568704323.db2.gz DLFAOYZISWTLRU-NRFANRHFSA-N 0 0 414.427 5.069 50 0 HKAARN COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000096203765 568704347 /nfs/dbraw/zinc/70/43/47/568704347.db2.gz DLFAOYZISWTLRU-OAQYLSRUSA-N 0 0 414.427 5.069 50 0 HKAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2C)cc1C(F)(F)F ZINC000096203774 568704523 /nfs/dbraw/zinc/70/45/23/568704523.db2.gz CHKSVXZALCOWGL-OAQYLSRUSA-N 0 0 414.427 5.069 50 0 HKAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2C)cc1C(F)(F)F ZINC000096203775 568704316 /nfs/dbraw/zinc/70/43/16/568704316.db2.gz CHKSVXZALCOWGL-NRFANRHFSA-N 0 0 414.427 5.069 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2Cl)cc1C(F)(F)F ZINC000096203805 568704461 /nfs/dbraw/zinc/70/44/61/568704461.db2.gz GWVXUMVIBHKGTN-FQEVSTJZSA-N 0 0 418.846 5.714 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2Cl)cc1C(F)(F)F ZINC000096203806 568704519 /nfs/dbraw/zinc/70/45/19/568704519.db2.gz GWVXUMVIBHKGTN-HXUWFJFHSA-N 0 0 418.846 5.714 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1c[nH]c2ccccc12 ZINC000096221448 568705106 /nfs/dbraw/zinc/70/51/06/568705106.db2.gz ZHZCZVRNQRWNSZ-HSZRJFAPSA-N 0 0 401.510 5.174 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1c[nH]c2ccccc12 ZINC000096221449 568705316 /nfs/dbraw/zinc/70/53/16/568705316.db2.gz ZHZCZVRNQRWNSZ-QHCPKHFHSA-N 0 0 401.510 5.174 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1cn(C)c2ccccc12 ZINC000096221794 568705144 /nfs/dbraw/zinc/70/51/44/568705144.db2.gz RVGZMRURCAZOKC-HSZRJFAPSA-N 0 0 415.537 5.185 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1cn(C)c2ccccc12 ZINC000096221795 568705187 /nfs/dbraw/zinc/70/51/87/568705187.db2.gz RVGZMRURCAZOKC-QHCPKHFHSA-N 0 0 415.537 5.185 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1cn(C(C)C)c2ccccc12 ZINC000096222303 568705825 /nfs/dbraw/zinc/70/58/25/568705825.db2.gz HKCHDCYHYNSELE-HSZRJFAPSA-N 0 0 415.537 5.448 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1cn(C(C)C)c2ccccc12 ZINC000096222305 568705878 /nfs/dbraw/zinc/70/58/78/568705878.db2.gz HKCHDCYHYNSELE-QHCPKHFHSA-N 0 0 415.537 5.448 50 0 biogenic HKAARN CSCC[C@H](NC(=O)c1nc(Cl)sc1C(C)C)c1nc2ccccc2[nH]1 ZINC000096223175 568706128 /nfs/dbraw/zinc/70/61/28/568706128.db2.gz BCNAVTWOVRUTBN-ZDUSSCGKSA-N 0 0 408.980 5.020 50 0 HKAARN CSCC[C@H](NC(=O)c1nc(Cl)sc1CC(C)C)c1nc2ccccc2[nH]1 ZINC000096223743 568706255 /nfs/dbraw/zinc/70/62/55/568706255.db2.gz DEUOTXKWCMCNIP-AWEZNQCLSA-N 0 0 423.007 5.096 50 0 HKAARN O=C(N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21)C1(c2ccccc2)CCOCC1 ZINC000096223763 568706247 /nfs/dbraw/zinc/70/62/47/568706247.db2.gz WGJPPDKUBQTVBM-HXUWFJFHSA-N 0 0 408.929 5.063 50 0 HKAARN O=C(N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21)C1(c2ccccc2)CCOCC1 ZINC000096223764 568706300 /nfs/dbraw/zinc/70/63/00/568706300.db2.gz WGJPPDKUBQTVBM-FQEVSTJZSA-N 0 0 408.929 5.063 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCS[C@@H]1c1cccc(Cl)c1Cl ZINC000096230606 568706895 /nfs/dbraw/zinc/70/68/95/568706895.db2.gz SWYGRKNWTXLEPA-OAHLLOKOSA-N 0 0 421.271 6.292 50 0 HKAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCS[C@H]1c1cccc(Cl)c1Cl ZINC000096230607 568706904 /nfs/dbraw/zinc/70/69/04/568706904.db2.gz SWYGRKNWTXLEPA-HNNXBMFYSA-N 0 0 421.271 6.292 50 0 HKAARN CC(C)n1c(CCCCCNC(=O)c2ccc3c(ccn3C)c2)nc2ccccc21 ZINC000096230808 568706855 /nfs/dbraw/zinc/70/68/55/568706855.db2.gz DCKBMOCPIAJXBT-UHFFFAOYSA-N 0 0 402.542 5.252 50 0 HKAARN CC(C)c1sc(Cl)nc1C(=O)NCCCc1nc2ccccc2n1C(C)C ZINC000096231125 568707125 /nfs/dbraw/zinc/70/71/25/568707125.db2.gz NLRPEPBDTQPOAY-UHFFFAOYSA-N 0 0 404.967 5.213 50 0 HKAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000096231642 568707318 /nfs/dbraw/zinc/70/73/18/568707318.db2.gz WDZFZHXUCYXXLI-KRWDZBQOSA-N 0 0 422.941 5.473 50 0 HKAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000096231643 568707258 /nfs/dbraw/zinc/70/72/58/568707258.db2.gz WDZFZHXUCYXXLI-QGZVFWFLSA-N 0 0 422.941 5.473 50 0 HKAARN CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1nc2ccccc2[nH]1 ZINC000096232077 568707713 /nfs/dbraw/zinc/70/77/13/568707713.db2.gz ZRTOXFSADKSCGQ-DEOSSOPVSA-N 0 0 421.504 5.300 50 0 HKAARN Cc1n[nH]c(C)c1CCC(=O)NCC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000096232112 568707718 /nfs/dbraw/zinc/70/77/18/568707718.db2.gz BGYRASGTHUEPQH-JOCHJYFZSA-N 0 0 413.924 5.090 50 0 HKAARN Cc1n[nH]c(C)c1CCC(=O)NCC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000096232113 568707775 /nfs/dbraw/zinc/70/77/75/568707775.db2.gz BGYRASGTHUEPQH-QFIPXVFZSA-N 0 0 413.924 5.090 50 0 HKAARN CC(C)n1c(CCCNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 ZINC000096232214 568707962 /nfs/dbraw/zinc/70/79/62/568707962.db2.gz TYZVOONILZTJAX-UHFFFAOYSA-N 0 0 406.574 5.217 50 0 HKAARN CSCC[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000096232320 568707991 /nfs/dbraw/zinc/70/79/91/568707991.db2.gz DYKGETFAXATZCR-FQEVSTJZSA-N 0 0 410.587 5.025 50 0 HKAARN Clc1cccc(Br)c1COCc1c(Cl)cccc1Br ZINC000096236472 568708785 /nfs/dbraw/zinc/70/87/85/568708785.db2.gz DVMKLBXPNFJCLK-UHFFFAOYSA-N 0 0 424.947 6.235 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N(C)Cc3ccccc3Cl)c2)cs1 ZINC000096248601 568709857 /nfs/dbraw/zinc/70/98/57/568709857.db2.gz JTHHFEMNCFBRKZ-KHPPLWFESA-N 0 0 412.942 5.356 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 ZINC000096272142 559108572 /nfs/dbraw/zinc/10/85/72/559108572.db2.gz HERLZBNILRVHQN-SFHVURJKSA-N 0 0 408.885 5.091 50 0 in-vitro HKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 ZINC000096272143 559108588 /nfs/dbraw/zinc/10/85/88/559108588.db2.gz HERLZBNILRVHQN-GOSISDBHSA-N 0 0 408.885 5.091 50 0 in-vitro HKAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(C)C)cc1 ZINC000096274846 568714290 /nfs/dbraw/zinc/71/42/90/568714290.db2.gz NCVJSXJGCJMREL-UHFFFAOYSA-N 0 0 417.431 5.157 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000096274847 568714344 /nfs/dbraw/zinc/71/43/44/568714344.db2.gz VEMUNKPPCGDMOG-FQEVSTJZSA-N 0 0 414.471 5.894 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000096274848 568714313 /nfs/dbraw/zinc/71/43/13/568714313.db2.gz VEMUNKPPCGDMOG-HXUWFJFHSA-N 0 0 414.471 5.894 50 0 HKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCc1ccco1 ZINC000096274855 568714353 /nfs/dbraw/zinc/71/43/53/568714353.db2.gz CPXRIHYXPQVSGT-GOSISDBHSA-N 0 0 413.304 5.906 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCc1ccco1 ZINC000096274856 568714303 /nfs/dbraw/zinc/71/43/03/568714303.db2.gz CPXRIHYXPQVSGT-SFHVURJKSA-N 0 0 413.304 5.906 50 0 HKAARN CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccccc3)n2Cc2cc(C)ccc2C)c1 ZINC000096275105 568714348 /nfs/dbraw/zinc/71/43/48/568714348.db2.gz YTADHTZVIWBJQA-UHFFFAOYSA-N 0 0 411.505 5.517 50 0 HKAARN CC(=O)Nc1ccc2c(cc(C(=O)NCC(C)C)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096275116 568714340 /nfs/dbraw/zinc/71/43/40/568714340.db2.gz OLZAIOSZHFUJRN-UHFFFAOYSA-N 0 0 419.569 5.331 50 0 HKAARN Cc1cccc(Cn2c(C(=O)NCC(C)C)cc3cc(NC(=O)C4CCC4)ccc32)c1 ZINC000096275241 568714329 /nfs/dbraw/zinc/71/43/29/568714329.db2.gz YDFNWDMOHRAMPS-UHFFFAOYSA-N 0 0 417.553 5.122 50 0 HKAARN NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000096275344 568714333 /nfs/dbraw/zinc/71/43/33/568714333.db2.gz KFHIGXDLELREHK-NRFANRHFSA-N 0 0 422.450 5.716 50 0 HKAARN NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000096275345 568714222 /nfs/dbraw/zinc/71/42/22/568714222.db2.gz KFHIGXDLELREHK-OAQYLSRUSA-N 0 0 422.450 5.716 50 0 HKAARN CC(C)CNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1 ZINC000096275348 568714273 /nfs/dbraw/zinc/71/42/73/568714273.db2.gz IYCXJRDKXVEDRO-RUZDIDTESA-N 0 0 416.609 6.516 50 0 HKAARN CC(C)CNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1 ZINC000096275349 568714325 /nfs/dbraw/zinc/71/43/25/568714325.db2.gz IYCXJRDKXVEDRO-VWLOTQADSA-N 0 0 416.609 6.516 50 0 HKAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3)c3ccccc3F)c2c1 ZINC000096275356 568714280 /nfs/dbraw/zinc/71/42/80/568714280.db2.gz WNVKVHZSRLCQHI-FQEVSTJZSA-N 0 0 402.469 5.154 50 0 HKAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccccc3F)c2c1 ZINC000096275357 568714293 /nfs/dbraw/zinc/71/42/93/568714293.db2.gz WNVKVHZSRLCQHI-HXUWFJFHSA-N 0 0 402.469 5.154 50 0 HKAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275446 568714550 /nfs/dbraw/zinc/71/45/50/568714550.db2.gz JENGLRKRHIQXLE-UHFFFAOYSA-N 0 0 411.505 5.152 50 0 HKAARN Cn1cc([C@@H](CC(N)=O)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275452 568714636 /nfs/dbraw/zinc/71/46/36/568714636.db2.gz AJUJGPXIDOYMLK-NRFANRHFSA-N 0 0 404.897 5.631 50 0 HKAARN Cn1cc([C@H](CC(N)=O)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275453 568714563 /nfs/dbraw/zinc/71/45/63/568714563.db2.gz AJUJGPXIDOYMLK-OAQYLSRUSA-N 0 0 404.897 5.631 50 0 HKAARN COc1ccc2[nH]cc([C@@H](CC(=O)N3CCCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275580 568714539 /nfs/dbraw/zinc/71/45/39/568714539.db2.gz AIIJJLRZSYTWAQ-SFHVURJKSA-N 0 0 416.443 5.340 50 0 HKAARN COc1ccc2[nH]cc([C@H](CC(=O)N3CCCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275581 568714500 /nfs/dbraw/zinc/71/45/00/568714500.db2.gz AIIJJLRZSYTWAQ-GOSISDBHSA-N 0 0 416.443 5.340 50 0 HKAARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)N1CCCC1 ZINC000096275618 568714579 /nfs/dbraw/zinc/71/45/79/568714579.db2.gz JCUZCAQHUHZOFM-VWLOTQADSA-N 0 0 414.593 6.366 50 0 HKAARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)N1CCCC1 ZINC000096275619 568714586 /nfs/dbraw/zinc/71/45/86/568714586.db2.gz JCUZCAQHUHZOFM-RUZDIDTESA-N 0 0 414.593 6.366 50 0 HKAARN CCc1cccc2c([C@@H](CCc3ccccc3)CC(=O)N3CCN(CC)CC3)c[nH]c21 ZINC000096275643 568714516 /nfs/dbraw/zinc/71/45/16/568714516.db2.gz VISIBYCBNOTURQ-QHCPKHFHSA-N 0 0 417.597 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CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096275816 568714832 /nfs/dbraw/zinc/71/48/32/568714832.db2.gz INJFFRREHMTTKG-UHFFFAOYSA-N 0 0 415.493 5.217 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3ccccc3F)c[nH]c21 ZINC000096275833 568714844 /nfs/dbraw/zinc/71/48/44/568714844.db2.gz SWKMTTLHBMSSTM-QFIPXVFZSA-N 0 0 415.512 5.145 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCCc3ccccn3)c3ccccc3F)c[nH]c21 ZINC000096275834 568714743 /nfs/dbraw/zinc/71/47/43/568714743.db2.gz SWKMTTLHBMSSTM-JOCHJYFZSA-N 0 0 415.512 5.145 50 0 HKAARN CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)C3CCC3)ccc21 ZINC000096275872 568714865 /nfs/dbraw/zinc/71/48/65/568714865.db2.gz RMMVBVYUFTUCKM-UHFFFAOYSA-N 0 0 403.526 5.110 50 0 HKAARN CC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3cccs3)ccc21 ZINC000096275967 568714741 /nfs/dbraw/zinc/71/47/41/568714741.db2.gz NHYNJZKRZNRXNB-UHFFFAOYSA-N 0 0 409.555 5.237 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3ccccc3F)c[nH]c21 ZINC000096275975 568714873 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5.210 50 0 HKAARN C[C@@H](c1ccccc1)[C@H](CC(=O)NCCc1ccccn1)c1cn(C)c2ccccc12 ZINC000096275988 568714735 /nfs/dbraw/zinc/71/47/35/568714735.db2.gz LSZIEBOONFKPOI-RDPSFJRHSA-N 0 0 411.549 5.210 50 0 HKAARN C[C@H](c1ccccc1)[C@H](CC(=O)NCCc1ccccn1)c1cn(C)c2ccccc12 ZINC000096275989 568714770 /nfs/dbraw/zinc/71/47/70/568714770.db2.gz LSZIEBOONFKPOI-YKSBVNFPSA-N 0 0 411.549 5.210 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276006 568714753 /nfs/dbraw/zinc/71/47/53/568714753.db2.gz FGYMXWSWINUHOR-PXAZEXFGSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276007 568714738 /nfs/dbraw/zinc/71/47/38/568714738.db2.gz FGYMXWSWINUHOR-SJCJKPOMSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276008 568714841 /nfs/dbraw/zinc/71/48/41/568714841.db2.gz FGYMXWSWINUHOR-SJKOYZFVSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc(Cl)c2)no1 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O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000096276160 568715096 /nfs/dbraw/zinc/71/50/96/568715096.db2.gz HGMBYQVCSTZTPL-KRWDZBQOSA-N 0 0 409.898 5.165 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000096276161 568715124 /nfs/dbraw/zinc/71/51/24/568715124.db2.gz HGMBYQVCSTZTPL-QGZVFWFLSA-N 0 0 409.898 5.165 50 0 HKAARN CC(C)CN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccccc1Cl ZINC000096276260 568715048 /nfs/dbraw/zinc/71/50/48/568715048.db2.gz NVTQITHZFKYKQI-UHFFFAOYSA-N 0 0 418.324 5.384 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000096276269 568715081 /nfs/dbraw/zinc/71/50/81/568715081.db2.gz AXWKCOVQACUMHK-FQEVSTJZSA-N 0 0 416.487 6.043 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)c3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000096276270 568715148 /nfs/dbraw/zinc/71/51/48/568715148.db2.gz AXWKCOVQACUMHK-HXUWFJFHSA-N 0 0 416.487 6.043 50 0 HKAARN CC(C)CNC(=O)c1cc2cc(NC(=O)CC(C)C)ccc2n1Cc1ccc(F)cc1 ZINC000096276326 568715088 /nfs/dbraw/zinc/71/50/88/568715088.db2.gz WKJAKCWEGUCXND-UHFFFAOYSA-N 0 0 423.532 5.199 50 0 HKAARN CC(C)(C)[C@@H](CC(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096276337 568715084 /nfs/dbraw/zinc/71/50/84/568715084.db2.gz HHNDTABBJJNAIF-QHCPKHFHSA-N 0 0 404.554 5.068 50 0 HKAARN CC(C)(C)[C@H](CC(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096276338 568715127 /nfs/dbraw/zinc/71/51/27/568715127.db2.gz HHNDTABBJJNAIF-HSZRJFAPSA-N 0 0 404.554 5.068 50 0 HKAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000096276347 568715281 /nfs/dbraw/zinc/71/52/81/568715281.db2.gz YSMYZVIKHFKMJW-OAHLLOKOSA-N 0 0 421.755 6.273 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000096276348 568715356 /nfs/dbraw/zinc/71/53/56/568715356.db2.gz YSMYZVIKHFKMJW-HNNXBMFYSA-N 0 0 421.755 6.273 50 0 HKAARN CC(=O)Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096276444 568715424 /nfs/dbraw/zinc/71/54/24/568715424.db2.gz KDKSCAIBHOKOJK-UHFFFAOYSA-N 0 0 417.553 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ZINC000096278231 568716742 /nfs/dbraw/zinc/71/67/42/568716742.db2.gz WIAJCMVOTQLFSH-QGZVFWFLSA-N 0 0 420.862 5.985 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000096278232 568716734 /nfs/dbraw/zinc/71/67/34/568716734.db2.gz WIAJCMVOTQLFSH-KRWDZBQOSA-N 0 0 420.862 5.985 50 0 HKAARN CC(C)(C)CC(=O)Nc1ccc2c(cc(C(N)=O)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096278263 568716647 /nfs/dbraw/zinc/71/66/47/568716647.db2.gz UCACYSSWMDQIPT-UHFFFAOYSA-N 0 0 419.569 5.461 50 0 HKAARN Cc1cc(C(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccco3)cc2)ccc1F ZINC000096278440 568716625 /nfs/dbraw/zinc/71/66/25/568716625.db2.gz XRIMIOAUFUVSJN-UHFFFAOYSA-N 0 0 420.444 5.014 50 0 HKAARN Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc(NC(=O)C(C)C)ccc32)c1 ZINC000096278489 568716737 /nfs/dbraw/zinc/71/67/37/568716737.db2.gz WSRNWAVNOAPBBS-UHFFFAOYSA-N 0 0 419.569 5.287 50 0 HKAARN CCC(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2CC)c1 ZINC000096278509 568716702 /nfs/dbraw/zinc/71/67/02/568716702.db2.gz 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CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278766 568716983 /nfs/dbraw/zinc/71/69/83/568716983.db2.gz KORJXJCCVTUIHP-INIZCTEOSA-N 0 0 423.822 5.536 50 0 HKAARN CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278767 568717004 /nfs/dbraw/zinc/71/70/04/568717004.db2.gz KORJXJCCVTUIHP-MRXNPFEDSA-N 0 0 423.822 5.536 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278769 568716930 /nfs/dbraw/zinc/71/69/30/568716930.db2.gz WQNWAYDUOBGQLV-PXAZEXFGSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278770 568716945 /nfs/dbraw/zinc/71/69/45/568716945.db2.gz WQNWAYDUOBGQLV-SJCJKPOMSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278771 568716946 /nfs/dbraw/zinc/71/69/46/568716946.db2.gz WQNWAYDUOBGQLV-SJKOYZFVSA-N 0 0 404.297 5.561 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278772 568717029 /nfs/dbraw/zinc/71/70/29/568717029.db2.gz WQNWAYDUOBGQLV-YVEFUNNKSA-N 0 0 404.297 5.561 50 0 HKAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)C3CCCC3)n2)cc1Cl ZINC000096278784 568717027 /nfs/dbraw/zinc/71/70/27/568717027.db2.gz HURPZTADMUUYMZ-UHFFFAOYSA-N 0 0 413.905 5.053 50 0 HKAARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000096278796 568717015 /nfs/dbraw/zinc/71/70/15/568717015.db2.gz LGJCMVCFUDWTOZ-NRFANRHFSA-N 0 0 417.896 5.412 50 0 HKAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000096278797 568717009 /nfs/dbraw/zinc/71/70/09/568717009.db2.gz LGJCMVCFUDWTOZ-OAQYLSRUSA-N 0 0 417.896 5.412 50 0 HKAARN CC(C)(C)[C@@H](CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096278814 568716933 /nfs/dbraw/zinc/71/69/33/568716933.db2.gz XETXESIPRTWMEM-SANMLTNESA-N 0 0 424.588 6.526 50 0 HKAARN CC(C)(C)[C@H](CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096278815 568716941 /nfs/dbraw/zinc/71/69/41/568716941.db2.gz XETXESIPRTWMEM-AREMUKBSSA-N 0 0 424.588 6.526 50 0 HKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3)oc2c1 ZINC000096278951 568717282 /nfs/dbraw/zinc/71/72/82/568717282.db2.gz YFESKKJJCXPYEF-UHFFFAOYSA-N 0 0 410.395 6.383 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1C(F)(F)F ZINC000096278957 568717235 /nfs/dbraw/zinc/71/72/35/568717235.db2.gz ZXLLNRDPFKGUSW-UHFFFAOYSA-N 0 0 411.383 5.778 50 0 HKAARN O=S(=O)(Oc1ccccc1-c1nc2ccccc2o1)c1cccc(Cl)c1Cl ZINC000096279067 568717175 /nfs/dbraw/zinc/71/71/75/568717175.db2.gz ZLHGBCOWRWGVFW-UHFFFAOYSA-N 0 0 420.273 5.569 50 0 HKAARN O=S(=O)(Oc1ccccc1-c1nc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000096279083 568717255 /nfs/dbraw/zinc/71/72/55/568717255.db2.gz KJDNBKBLJLZLBX-UHFFFAOYSA-N 0 0 420.273 5.569 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1C(F)(F)F ZINC000096279149 568717298 /nfs/dbraw/zinc/71/72/98/568717298.db2.gz MRAMZUKQYFMYBP-FQEVSTJZSA-N 0 0 418.846 5.714 50 0 HKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2cccc(Cl)c2)cc1C(F)(F)F ZINC000096279150 568717221 /nfs/dbraw/zinc/71/72/21/568717221.db2.gz MRAMZUKQYFMYBP-HXUWFJFHSA-N 0 0 418.846 5.714 50 0 HKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)cc3)oc2c1 ZINC000096279163 568717219 /nfs/dbraw/zinc/71/72/19/568717219.db2.gz YOJZWFOWCRNPFP-UHFFFAOYSA-N 0 0 410.395 6.383 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1C(F)(F)F ZINC000096279168 568717191 /nfs/dbraw/zinc/71/71/91/568717191.db2.gz IRHGVVFHDCNFGK-UHFFFAOYSA-N 0 0 410.395 6.383 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3C)nc2c1 ZINC000096279174 568717205 /nfs/dbraw/zinc/71/72/05/568717205.db2.gz JKUYGYSZLZQJIK-UHFFFAOYSA-N 0 0 424.422 6.691 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3)nc2c1 ZINC000096279184 568717212 /nfs/dbraw/zinc/71/72/12/568717212.db2.gz XUKFJETUOQGUFX-UHFFFAOYSA-N 0 0 410.395 6.383 50 0 HKAARN Cc1cccc2oc(-c3c(C)cccc3NC(=O)c3ccc(C)c(C(F)(F)F)c3)nc21 ZINC000096279187 568717227 /nfs/dbraw/zinc/71/72/27/568717227.db2.gz BLGCOKOAWGELRM-UHFFFAOYSA-N 0 0 424.422 6.691 50 0 HKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c(C)c3)nc21 ZINC000096279188 568717171 /nfs/dbraw/zinc/71/71/71/568717171.db2.gz SSBOXDALJKSVNK-UHFFFAOYSA-N 0 0 424.422 6.691 50 0 HKAARN Cc1ccc(C(=O)Nc2cccc(C)c2-c2nc3ncccc3o2)cc1C(F)(F)F ZINC000096279189 568717172 /nfs/dbraw/zinc/71/71/72/568717172.db2.gz RDBBXCNYILWPQH-UHFFFAOYSA-N 0 0 411.383 5.778 50 0 HKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)cc3)nc21 ZINC000096279194 559108619 /nfs/dbraw/zinc/10/86/19/559108619.db2.gz IEEXIEHQWLTCIO-UHFFFAOYSA-N 0 0 410.395 6.383 50 0 HKAARN Cc1cccc2oc(-c3cccc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)c3C)nc21 ZINC000096279195 568717166 /nfs/dbraw/zinc/71/71/66/568717166.db2.gz MPUYFAKJWJTVRY-UHFFFAOYSA-N 0 0 424.422 6.691 50 0 HKAARN Cc1ccc(-c2csc(N(CC(=O)N3CCCC3)c3ccccc3Cl)n2)cc1 ZINC000096279205 568717168 /nfs/dbraw/zinc/71/71/68/568717168.db2.gz CPDKKMFKJGDFIL-UHFFFAOYSA-N 0 0 411.958 5.532 50 0 HKAARN O=C(CN(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1)NC1CC1 ZINC000096279242 568717523 /nfs/dbraw/zinc/71/75/23/568717523.db2.gz DOGMGEFSWFISEQ-UHFFFAOYSA-N 0 0 401.894 5.019 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccs4)nc3c2)cc1C(F)(F)F ZINC000096279356 568717463 /nfs/dbraw/zinc/71/74/63/568717463.db2.gz VQYXXYYQYDDNMJ-UHFFFAOYSA-N 0 0 402.397 6.136 50 0 HKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3C)nc2c1 ZINC000096279461 568717505 /nfs/dbraw/zinc/71/75/05/568717505.db2.gz XAWPYFFDRCGASW-UHFFFAOYSA-N 0 0 411.288 6.671 50 0 HKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)NC(C)(C)C ZINC000096279586 559108597 /nfs/dbraw/zinc/10/85/97/559108597.db2.gz ITYBVPUMYPXVPE-UHFFFAOYSA-N 0 0 420.557 5.600 50 0 HKAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(Cl)cc1 ZINC000096279660 568717414 /nfs/dbraw/zinc/71/74/14/568717414.db2.gz YAXJRNSCJWPQPS-QGZVFWFLSA-N 0 0 424.976 5.247 50 0 HKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(Cl)cc1 ZINC000096279661 568717451 /nfs/dbraw/zinc/71/74/51/568717451.db2.gz YAXJRNSCJWPQPS-KRWDZBQOSA-N 0 0 424.976 5.247 50 0 HKAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280022 559108625 /nfs/dbraw/zinc/10/86/25/559108625.db2.gz BYUQZDIRPVDSRL-FQEVSTJZSA-N 0 0 405.542 5.132 50 0 HKAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280023 559108614 /nfs/dbraw/zinc/10/86/14/559108614.db2.gz BYUQZDIRPVDSRL-HXUWFJFHSA-N 0 0 405.542 5.132 50 0 HKAARN O=C(Nc1nc2c(cccc2Cl)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096280154 568717647 /nfs/dbraw/zinc/71/76/47/568717647.db2.gz MEDRPZGTEHGQBU-UHFFFAOYSA-N 0 0 424.753 6.240 50 0 HKAARN CC(C)c1ccc(CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 ZINC000096280185 559108604 /nfs/dbraw/zinc/10/86/04/559108604.db2.gz IKDHTWKVYZSFSD-UHFFFAOYSA-N 0 0 403.960 5.860 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cc2sccc2n1Cc1ccc(F)cc1F ZINC000096280349 568717873 /nfs/dbraw/zinc/71/78/73/568717873.db2.gz VRUURKNSSRCDJO-UHFFFAOYSA-N 0 0 400.425 5.098 50 0 HKAARN O=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000096280361 568718027 /nfs/dbraw/zinc/71/80/27/568718027.db2.gz LCDSYLJWCNMWAN-UHFFFAOYSA-N 0 0 409.736 5.059 50 0 HKAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000096280362 568717864 /nfs/dbraw/zinc/71/78/64/568717864.db2.gz OKKDXPSHQJLMDU-UHFFFAOYSA-N 0 0 411.752 5.307 50 0 HKAARN Cc1cccc(CNC(=O)c2cc3sc(Br)cc3n2CC2CC2)c1 ZINC000096280387 568717945 /nfs/dbraw/zinc/71/79/45/568717945.db2.gz DDWGAYLHONMMNY-UHFFFAOYSA-N 0 0 403.345 5.114 50 0 HKAARN CC(C)Cn1c(C(=O)NCc2ccc(F)cc2)cc2sc(Br)cc21 ZINC000096280389 568718033 /nfs/dbraw/zinc/71/80/33/568718033.db2.gz QWVXWDRKZGLZII-UHFFFAOYSA-N 0 0 409.324 5.190 50 0 HKAARN O=C(NCC1CC1)c1cc2scc(Br)c2n1Cc1cccc(Cl)c1 ZINC000096280412 568718079 /nfs/dbraw/zinc/71/80/79/568718079.db2.gz CMNIXDDUGQAWLT-UHFFFAOYSA-N 0 0 423.763 5.307 50 0 HKAARN O=C(NCc1ccc(F)cc1)c1cc2scc(Br)c2n1CC1CCC1 ZINC000096280447 559108701 /nfs/dbraw/zinc/10/87/01/559108701.db2.gz PGXGNXDCNPFJRT-UHFFFAOYSA-N 0 0 421.335 5.335 50 0 HKAARN O=C(NCc1ccccc1F)c1cc2scc(Br)c2n1CC1CCC1 ZINC000096280448 559108685 /nfs/dbraw/zinc/10/86/85/559108685.db2.gz QYESLPHHXXJLLO-UHFFFAOYSA-N 0 0 421.335 5.335 50 0 HKAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1)c1ccco1 ZINC000096280450 568717939 /nfs/dbraw/zinc/71/79/39/568717939.db2.gz UIVNNAABNRPFGU-UHFFFAOYSA-N 0 0 409.873 5.018 50 0 HKAARN Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3cccs3)c2)C1=O ZINC000096280454 568717978 /nfs/dbraw/zinc/71/79/78/568717978.db2.gz WEBYOVTZQYUNSQ-UHFFFAOYSA-N 0 0 405.523 5.141 50 0 HKAARN Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4cccs4)cc3)C2=O)c1 ZINC000096280455 568717928 /nfs/dbraw/zinc/71/79/28/568717928.db2.gz OUDVTRQOVBSESJ-UHFFFAOYSA-N 0 0 405.523 5.141 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4cc(F)ccc4F)c(OC)c3)no2)cc1 ZINC000096280641 568718238 /nfs/dbraw/zinc/71/82/38/568718238.db2.gz QHQGFTHCGHLOKU-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCc1cc(F)ccc1F ZINC000096280642 568718145 /nfs/dbraw/zinc/71/81/45/568718145.db2.gz IFYBVMZUWCSANK-UHFFFAOYSA-N 0 0 408.404 5.578 50 0 HKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCc1cc(F)ccc1F ZINC000096280644 568718168 /nfs/dbraw/zinc/71/81/68/568718168.db2.gz MFGBNGHNRHWUKF-UHFFFAOYSA-N 0 0 408.404 5.578 50 0 HKAARN COc1ccc(-c2nc(-c3cccc(OCc4cc(F)ccc4F)c3)no2)cc1OC ZINC000096280658 568718143 /nfs/dbraw/zinc/71/81/43/568718143.db2.gz SPSQXDIAZLRZHP-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1cc(COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc(OC)c1 ZINC000096280659 568718231 /nfs/dbraw/zinc/71/82/31/568718231.db2.gz OLNBEAOJFBGWBF-UHFFFAOYSA-N 0 0 422.868 5.653 50 0 HKAARN COc1cc(COc2cccc(-c3noc(-c4ccccc4C)n3)c2)cc(OC)c1 ZINC000096280660 568718255 /nfs/dbraw/zinc/71/82/55/568718255.db2.gz DJVJSPWGJJTTSR-UHFFFAOYSA-N 0 0 402.450 5.308 50 0 HKAARN COc1cc(OC)cc(-c2nc(-c3ccc(OCc4ccccc4F)cc3)no2)c1 ZINC000096280661 568718302 /nfs/dbraw/zinc/71/83/02/568718302.db2.gz JEIYICMUJDXPIQ-UHFFFAOYSA-N 0 0 406.413 5.139 50 0 HKAARN COc1cc(OC)cc(-c2nc(-c3ccc(OCc4ccc(F)cc4)cc3)no2)c1 ZINC000096280663 568718276 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Fc1ccc(-c2nc(-c3ccc(OCc4c(F)cccc4F)cc3)no2)c(F)c1 ZINC000096280693 568718251 /nfs/dbraw/zinc/71/82/51/568718251.db2.gz WVYNYOCBCXXZHM-UHFFFAOYSA-N 0 0 400.331 5.539 50 0 HKAARN Fc1cc(F)cc(-c2nc(-c3ccc(OCc4c(F)cccc4F)cc3)no2)c1 ZINC000096280694 568718176 /nfs/dbraw/zinc/71/81/76/568718176.db2.gz IKGIQCWHPXQJIW-UHFFFAOYSA-N 0 0 400.331 5.539 50 0 HKAARN Fc1ccc(COc2ccc(-c3noc(-c4ccc(F)cc4F)n3)cc2)c(F)c1 ZINC000096280697 568718130 /nfs/dbraw/zinc/71/81/30/568718130.db2.gz VFQZKEWUKADBHC-UHFFFAOYSA-N 0 0 400.331 5.539 50 0 HKAARN Fc1ccc(-c2nc(-c3ccc(OCc4ccc(F)c(F)c4)cc3)no2)c(F)c1 ZINC000096280699 568718290 /nfs/dbraw/zinc/71/82/90/568718290.db2.gz SCXPJNBYEMGKKQ-UHFFFAOYSA-N 0 0 400.331 5.539 50 0 HKAARN COc1ccc(-c2nc(-c3ccc(OCc4cc(F)ccc4F)cc3)no2)cc1OC ZINC000096280718 568718215 /nfs/dbraw/zinc/71/82/15/568718215.db2.gz QBZKWBMEZVNKSY-UHFFFAOYSA-N 0 0 424.403 5.278 50 0 HKAARN COc1cc(COc2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2)cc(OC)c1 ZINC000096280719 568718224 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CCCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1OC ZINC000096281619 568719060 /nfs/dbraw/zinc/71/90/60/568719060.db2.gz IWMKSQOCUABHFO-UHFFFAOYSA-N 0 0 402.903 5.513 50 0 HKAARN CCCOc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3F)cs2)c(Cl)c1 ZINC000096281632 568719063 /nfs/dbraw/zinc/71/90/63/568719063.db2.gz JSQADAFRWOLLHQ-UHFFFAOYSA-N 0 0 404.894 5.952 50 0 HKAARN CCCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)c(Cl)c1 ZINC000096281633 568719096 /nfs/dbraw/zinc/71/90/96/568719096.db2.gz VOMMXTYYCKJAQI-UHFFFAOYSA-N 0 0 407.322 6.158 50 0 HKAARN O=C(Nc1ccccc1F)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1 ZINC000096281635 568718950 /nfs/dbraw/zinc/71/89/50/568718950.db2.gz HTTRAXAILRURTK-UHFFFAOYSA-N 0 0 422.456 5.920 50 0 HKAARN Cc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000096281846 568718954 /nfs/dbraw/zinc/71/89/54/568718954.db2.gz RFGAQHGFVYNLLN-UHFFFAOYSA-N 0 0 414.553 5.126 50 0 HKAARN CCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096281959 568718930 /nfs/dbraw/zinc/71/89/30/568718930.db2.gz 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ZINC000096287994 568719482 /nfs/dbraw/zinc/71/94/82/568719482.db2.gz LCOGEPRYIJQDEF-SFHVURJKSA-N 0 0 404.341 5.411 50 0 HKAARN CCCN(C)C(=O)[C@@H](CC)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1 ZINC000096288096 568719345 /nfs/dbraw/zinc/71/93/45/568719345.db2.gz IZWKRMFWZMEYMA-LJQANCHMSA-N 0 0 418.368 5.753 50 0 HKAARN CCCN(C)C(=O)[C@H](CC)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1 ZINC000096288097 568719463 /nfs/dbraw/zinc/71/94/63/568719463.db2.gz IZWKRMFWZMEYMA-IBGZPJMESA-N 0 0 418.368 5.753 50 0 HKAARN COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCC(=O)NC(C)C)c1 ZINC000096288272 568719361 /nfs/dbraw/zinc/71/93/61/568719361.db2.gz XJONIDPSTMOVDH-UHFFFAOYSA-N 0 0 413.521 5.134 50 0 HKAARN CC(C)c1nnc(SCc2ccccc2C(=O)N2CCCC2)n1-c1ccc(F)cc1 ZINC000096288727 568719608 /nfs/dbraw/zinc/71/96/08/568719608.db2.gz MQCJHWPRBKXMPZ-UHFFFAOYSA-N 0 0 424.545 5.058 50 0 HKAARN CC(C)c1nnc(SCc2ccccc2C(=O)N2CCCC2)n1-c1ccccc1F ZINC000096288731 568719699 /nfs/dbraw/zinc/71/96/99/568719699.db2.gz AINXBXCFPDHZIC-UHFFFAOYSA-N 0 0 424.545 5.058 50 0 HKAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)N3CCCC3)nnc2C(C)C)c1 ZINC000096288747 568719717 /nfs/dbraw/zinc/71/97/17/568719717.db2.gz BTKDPPLVKULNEH-UHFFFAOYSA-N 0 0 420.582 5.227 50 0 HKAARN CC[C@@H](C)NC(=O)CCn1c(Cc2cccc(C)c2)nc2cc(Cl)c(Cl)cc21 ZINC000096288783 568719637 /nfs/dbraw/zinc/71/96/37/568719637.db2.gz UYFXVGSWORUWRR-OAHLLOKOSA-N 0 0 418.368 5.547 50 0 HKAARN CC[C@H](C)NC(=O)CCn1c(Cc2cccc(C)c2)nc2cc(Cl)c(Cl)cc21 ZINC000096288784 568719626 /nfs/dbraw/zinc/71/96/26/568719626.db2.gz UYFXVGSWORUWRR-HNNXBMFYSA-N 0 0 418.368 5.547 50 0 HKAARN CCCNC(=O)CCn1c(Cc2cccc(C)c2)nc2cc(Cl)c(Cl)cc21 ZINC000096288785 568719721 /nfs/dbraw/zinc/71/97/21/568719721.db2.gz MNNMVNAUAHKYMW-UHFFFAOYSA-N 0 0 404.341 5.159 50 0 HKAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NC(C)C)c1 ZINC000096288788 568719768 /nfs/dbraw/zinc/71/97/68/568719768.db2.gz YNJFWXAKWGBEPK-UHFFFAOYSA-N 0 0 404.341 5.157 50 0 HKAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3)c3ccc(Cl)nc3)c2c1 ZINC000096289117 568719672 /nfs/dbraw/zinc/71/96/72/568719672.db2.gz PPHSRXDHNOQQNP-IBGZPJMESA-N 0 0 419.912 5.063 50 0 HKAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)nc3)c2c1 ZINC000096289118 568719706 /nfs/dbraw/zinc/71/97/06/568719706.db2.gz PPHSRXDHNOQQNP-LJQANCHMSA-N 0 0 419.912 5.063 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NC[C@@H]3COc4ccccc4O3)CC(C)C)c[nH]c21 ZINC000096289153 568719774 /nfs/dbraw/zinc/71/97/74/568719774.db2.gz JACSWRHJHRRFTB-VQTJNVASSA-N 0 0 420.553 5.206 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NC[C@@H]3COc4ccccc4O3)CC(C)C)c[nH]c21 ZINC000096289154 568719612 /nfs/dbraw/zinc/71/96/12/568719612.db2.gz JACSWRHJHRRFTB-WOJBJXKFSA-N 0 0 420.553 5.206 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NC[C@H]3COc4ccccc4O3)CC(C)C)c[nH]c21 ZINC000096289155 568719735 /nfs/dbraw/zinc/71/97/35/568719735.db2.gz JACSWRHJHRRFTB-PMACEKPBSA-N 0 0 420.553 5.206 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NC[C@H]3COc4ccccc4O3)CC(C)C)c[nH]c21 ZINC000096289156 568719762 /nfs/dbraw/zinc/71/97/62/568719762.db2.gz JACSWRHJHRRFTB-UXHICEINSA-N 0 0 420.553 5.206 50 0 HKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21)NC1CC1 ZINC000096289185 568719737 /nfs/dbraw/zinc/71/97/37/568719737.db2.gz RZZBAXRUIFFHKQ-UHFFFAOYSA-N 0 0 415.924 5.533 50 0 HKAARN CCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096289193 568719681 /nfs/dbraw/zinc/71/96/81/568719681.db2.gz KGDKWEKOBHFKJC-UHFFFAOYSA-N 0 0 417.940 5.781 50 0 HKAARN COc1ccc(Cn2cc([C@H](CC(N)=O)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096289218 568719724 /nfs/dbraw/zinc/71/97/24/568719724.db2.gz IJRTYAXEHKLHPW-OAQYLSRUSA-N 0 0 416.496 5.153 50 0 HKAARN COc1ccc(Cn2cc([C@@H](CC(N)=O)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096289219 568719618 /nfs/dbraw/zinc/71/96/18/568719618.db2.gz IJRTYAXEHKLHPW-NRFANRHFSA-N 0 0 416.496 5.153 50 0 HKAARN CCc1nc(NCCC(=O)N[C@@H](C)c2ccccc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096289325 568719634 /nfs/dbraw/zinc/71/96/34/568719634.db2.gz AZDCAGJXEYGZRN-ZDUSSCGKSA-N 0 0 417.340 5.178 50 0 HKAARN CCc1nc(NCCC(=O)N[C@H](C)c2ccccc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096289326 568719692 /nfs/dbraw/zinc/71/96/92/568719692.db2.gz AZDCAGJXEYGZRN-CYBMUJFWSA-N 0 0 417.340 5.178 50 0 HKAARN Cc1ccc(-n2c(SCc3ccc(C(=O)NCC(C)C)cc3)nnc2C(C)C)cc1 ZINC000096289380 568719732 /nfs/dbraw/zinc/71/97/32/568719732.db2.gz QMSLHLRUJBSJEV-UHFFFAOYSA-N 0 0 422.598 5.377 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@@H](C)C(=O)NC(C)C)cc1 ZINC000096289506 568719629 /nfs/dbraw/zinc/71/96/29/568719629.db2.gz GSYUPVQJZJZDIP-AWEZNQCLSA-N 0 0 404.341 5.328 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@H](C)C(=O)NC(C)C)cc1 ZINC000096289507 568719752 /nfs/dbraw/zinc/71/97/52/568719752.db2.gz GSYUPVQJZJZDIP-CQSZACIVSA-N 0 0 404.341 5.328 50 0 HKAARN CC[C@@H](C)NC(=O)[C@@H](C)n1c(Cc2ccc(C)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000096289509 568719951 /nfs/dbraw/zinc/71/99/51/568719951.db2.gz LNRSVBKRSCNMQM-HUUCEWRRSA-N 0 0 418.368 5.718 50 0 HKAARN CC[C@H](C)NC(=O)[C@@H](C)n1c(Cc2ccc(C)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000096289510 568719856 /nfs/dbraw/zinc/71/98/56/568719856.db2.gz LNRSVBKRSCNMQM-LSDHHAIUSA-N 0 0 418.368 5.718 50 0 HKAARN CC[C@@H](C)NC(=O)[C@H](C)n1c(Cc2ccc(C)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000096289511 568720014 /nfs/dbraw/zinc/72/00/14/568720014.db2.gz LNRSVBKRSCNMQM-CABCVRRESA-N 0 0 418.368 5.718 50 0 HKAARN CC[C@H](C)NC(=O)[C@H](C)n1c(Cc2ccc(C)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000096289512 568720008 /nfs/dbraw/zinc/72/00/08/568720008.db2.gz LNRSVBKRSCNMQM-GJZGRUSLSA-N 0 0 418.368 5.718 50 0 HKAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NC(C)(C)C)c1 ZINC000096289513 568719826 /nfs/dbraw/zinc/71/98/26/568719826.db2.gz JIYZIBNGHKJKGX-UHFFFAOYSA-N 0 0 404.341 5.157 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NCC(C)C)cc1 ZINC000096289520 568719948 /nfs/dbraw/zinc/71/99/48/568719948.db2.gz MJUBTMCSNPAOHW-UHFFFAOYSA-N 0 0 404.341 5.015 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000096289523 568719808 /nfs/dbraw/zinc/71/98/08/568719808.db2.gz CZZITVGHPZXDFA-HNNXBMFYSA-N 0 0 418.368 5.670 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000096289524 568719852 /nfs/dbraw/zinc/71/98/52/568719852.db2.gz CZZITVGHPZXDFA-OAHLLOKOSA-N 0 0 418.368 5.670 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000096289526 568719829 /nfs/dbraw/zinc/71/98/29/568719829.db2.gz ZOOWNCDAORJCFI-HNNXBMFYSA-N 0 0 418.368 5.576 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2[C@H](C)C(=O)NCC(C)C)cc1 ZINC000096289527 568719904 /nfs/dbraw/zinc/71/99/04/568719904.db2.gz ZOOWNCDAORJCFI-OAHLLOKOSA-N 0 0 418.368 5.576 50 0 HKAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)N3CCCC3)n2c1 ZINC000096289748 560848462 /nfs/dbraw/zinc/84/84/62/560848462.db2.gz XYXHZKWMRJACQT-UHFFFAOYSA-N 0 0 409.533 5.532 50 0 HKAARN COc1ccc2[nH]cc([C@@H](CC(=O)Nc3ccccc3)c3ccc(Cl)nc3)c2c1 ZINC000096289881 568720158 /nfs/dbraw/zinc/72/01/58/568720158.db2.gz DZBCHCRSMADTOS-SFHVURJKSA-N 0 0 405.885 5.386 50 0 HKAARN COc1ccc2[nH]cc([C@H](CC(=O)Nc3ccccc3)c3ccc(Cl)nc3)c2c1 ZINC000096289882 568720144 /nfs/dbraw/zinc/72/01/44/568720144.db2.gz DZBCHCRSMADTOS-GOSISDBHSA-N 0 0 405.885 5.386 50 0 HKAARN CCCN(C)C(=O)c1cccc(CSc2nnc(-c3ccc(C)cc3)n2CC)c1 ZINC000096289887 568720095 /nfs/dbraw/zinc/72/00/95/568720095.db2.gz NQYGVAMLRKSJFA-UHFFFAOYSA-N 0 0 408.571 5.048 50 0 HKAARN CCCNC(=O)CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21 ZINC000096289924 559108677 /nfs/dbraw/zinc/10/86/77/559108677.db2.gz JJUJFJOUXSIRHQ-UHFFFAOYSA-N 0 0 417.940 5.781 50 0 HKAARN CCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096290117 568720217 /nfs/dbraw/zinc/72/02/17/568720217.db2.gz PULBXIJTYYBQFF-UHFFFAOYSA-N 0 0 411.549 5.744 50 0 HKAARN CCCNC(=O)[C@@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290450 568720459 /nfs/dbraw/zinc/72/04/59/568720459.db2.gz IFLOIVMFXXMSJJ-GFCCVEGCSA-N 0 0 408.304 5.160 50 0 HKAARN CCCNC(=O)[C@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290451 568720316 /nfs/dbraw/zinc/72/03/16/568720316.db2.gz IFLOIVMFXXMSJJ-LBPRGKRZSA-N 0 0 408.304 5.160 50 0 HKAARN CCCN(C)C(=O)CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290453 568720319 /nfs/dbraw/zinc/72/03/19/568720319.db2.gz OTRXNTSSQOZKPF-UHFFFAOYSA-N 0 0 422.331 5.332 50 0 HKAARN CCCNC(=O)[C@@H](CC)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290454 568720451 /nfs/dbraw/zinc/72/04/51/568720451.db2.gz JIIYVPHSJUHROH-GOSISDBHSA-N 0 0 422.331 5.550 50 0 HKAARN CCCNC(=O)[C@H](CC)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290455 568720391 /nfs/dbraw/zinc/72/03/91/568720391.db2.gz JIIYVPHSJUHROH-SFHVURJKSA-N 0 0 422.331 5.550 50 0 HKAARN C[C@@H](C(=O)N1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290466 568720487 /nfs/dbraw/zinc/72/04/87/568720487.db2.gz IZHCSTCKACQUMD-ZDUSSCGKSA-N 0 0 420.315 5.256 50 0 HKAARN C[C@H](C(=O)N1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290467 568720430 /nfs/dbraw/zinc/72/04/30/568720430.db2.gz IZHCSTCKACQUMD-CYBMUJFWSA-N 0 0 420.315 5.256 50 0 HKAARN CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290483 568720322 /nfs/dbraw/zinc/72/03/22/568720322.db2.gz BIHVNOZIYYWYSR-CYBMUJFWSA-N 0 0 422.331 5.378 50 0 HKAARN CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290484 568720414 /nfs/dbraw/zinc/72/04/14/568720414.db2.gz BIHVNOZIYYWYSR-ZDUSSCGKSA-N 0 0 422.331 5.378 50 0 HKAARN CC(C)CNC(=O)[C@@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290485 568720329 /nfs/dbraw/zinc/72/03/29/568720329.db2.gz YRIUVPDKNBAQBY-CYBMUJFWSA-N 0 0 422.331 5.406 50 0 HKAARN CC(C)CNC(=O)[C@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290486 568720338 /nfs/dbraw/zinc/72/03/38/568720338.db2.gz YRIUVPDKNBAQBY-ZDUSSCGKSA-N 0 0 422.331 5.406 50 0 HKAARN CCCNC(=O)[C@@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096290505 568720363 /nfs/dbraw/zinc/72/03/63/568720363.db2.gz RWKJNIRQLAHSDV-GFCCVEGCSA-N 0 0 424.759 5.675 50 0 HKAARN CCCNC(=O)[C@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096290506 560848497 /nfs/dbraw/zinc/84/84/97/560848497.db2.gz RWKJNIRQLAHSDV-LBPRGKRZSA-N 0 0 424.759 5.675 50 0 HKAARN CC(C)NC(=O)[C@@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290513 568720428 /nfs/dbraw/zinc/72/04/28/568720428.db2.gz NAKQDLXKBUXDST-GFCCVEGCSA-N 0 0 408.304 5.159 50 0 HKAARN CC(C)NC(=O)[C@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290514 568720325 /nfs/dbraw/zinc/72/03/25/568720325.db2.gz NAKQDLXKBUXDST-LBPRGKRZSA-N 0 0 408.304 5.159 50 0 HKAARN CC(C)CNC(=O)CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290524 568720332 /nfs/dbraw/zinc/72/03/32/568720332.db2.gz ZAFXCHMRXXSFPP-UHFFFAOYSA-N 0 0 422.331 5.235 50 0 HKAARN CCCN(C)C(=O)[C@@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290528 568720360 /nfs/dbraw/zinc/72/03/60/568720360.db2.gz HNVPWKBFDBLXNF-CYBMUJFWSA-N 0 0 422.331 5.502 50 0 HKAARN CCCN(C)C(=O)[C@H](C)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290529 568720420 /nfs/dbraw/zinc/72/04/20/568720420.db2.gz HNVPWKBFDBLXNF-ZDUSSCGKSA-N 0 0 422.331 5.502 50 0 HKAARN Cc1ccc(F)c([C@@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096290547 568720471 /nfs/dbraw/zinc/72/04/71/568720471.db2.gz SRSNRIARAWCUCT-GOSISDBHSA-N 0 0 421.903 5.502 50 0 HKAARN Cc1ccc(F)c([C@H](CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096290548 568720440 /nfs/dbraw/zinc/72/04/40/568720440.db2.gz SRSNRIARAWCUCT-SFHVURJKSA-N 0 0 421.903 5.502 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290565 568720387 /nfs/dbraw/zinc/72/03/87/568720387.db2.gz RVOFQAVJLIVHQU-NRFANRHFSA-N 0 0 415.512 5.411 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290566 568720351 /nfs/dbraw/zinc/72/03/51/568720351.db2.gz RVOFQAVJLIVHQU-OAQYLSRUSA-N 0 0 415.512 5.411 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290772 568720697 /nfs/dbraw/zinc/72/06/97/568720697.db2.gz AFIRIKVDKFTNTD-FQEVSTJZSA-N 0 0 404.485 5.609 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290773 568720650 /nfs/dbraw/zinc/72/06/50/568720650.db2.gz AFIRIKVDKFTNTD-HXUWFJFHSA-N 0 0 404.485 5.609 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccc3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290774 568720723 /nfs/dbraw/zinc/72/07/23/568720723.db2.gz AJDORDDDHCPXTI-QFIPXVFZSA-N 0 0 414.524 6.016 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290775 568720604 /nfs/dbraw/zinc/72/06/04/568720604.db2.gz AJDORDDDHCPXTI-JOCHJYFZSA-N 0 0 414.524 6.016 50 0 HKAARN CCCN(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1Cl ZINC000096291091 568720694 /nfs/dbraw/zinc/72/06/94/568720694.db2.gz TXIXENVHRBNNBG-UHFFFAOYSA-N 0 0 424.759 5.456 50 0 HKAARN CC(C)NC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291094 568720658 /nfs/dbraw/zinc/72/06/58/568720658.db2.gz KNIRXDDNPLGELW-UHFFFAOYSA-N 0 0 424.759 5.502 50 0 HKAARN O=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NC1CC1 ZINC000096291107 568720712 /nfs/dbraw/zinc/72/07/12/568720712.db2.gz QIQMOGCCXBXMGT-UHFFFAOYSA-N 0 0 422.743 5.256 50 0 HKAARN CC(C)NC(=O)[C@@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291128 568720683 /nfs/dbraw/zinc/72/06/83/568720683.db2.gz VEBOOUUTDUQWIO-GFCCVEGCSA-N 0 0 424.759 5.673 50 0 HKAARN CC(C)NC(=O)[C@H](C)n1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291129 568720597 /nfs/dbraw/zinc/72/05/97/568720597.db2.gz VEBOOUUTDUQWIO-LBPRGKRZSA-N 0 0 424.759 5.673 50 0 HKAARN CC[C@@H](C(=O)NC1CC1)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291169 568720573 /nfs/dbraw/zinc/72/05/73/568720573.db2.gz NTWRCKGFJUCISR-SFHVURJKSA-N 0 0 402.325 5.164 50 0 HKAARN CC[C@H](C(=O)NC1CC1)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291170 568720636 /nfs/dbraw/zinc/72/06/36/568720636.db2.gz NTWRCKGFJUCISR-GOSISDBHSA-N 0 0 402.325 5.164 50 0 HKAARN CC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291196 568720575 /nfs/dbraw/zinc/72/05/75/568720575.db2.gz ALCKQJCCLTTYBK-IBGZPJMESA-N 0 0 418.368 5.657 50 0 HKAARN CC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291197 568720672 /nfs/dbraw/zinc/72/06/72/568720672.db2.gz ALCKQJCCLTTYBK-LJQANCHMSA-N 0 0 418.368 5.657 50 0 HKAARN Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)N2CCCC2)cc1 ZINC000096291216 568720687 /nfs/dbraw/zinc/72/06/87/568720687.db2.gz SONXTAQSGIEZFP-UHFFFAOYSA-N 0 0 416.352 5.255 50 0 HKAARN CCCN(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2nc1Cc1cccc(C)c1 ZINC000096291221 568720593 /nfs/dbraw/zinc/72/05/93/568720593.db2.gz CSSONYZAKXTIJA-UHFFFAOYSA-N 0 0 404.341 5.111 50 0 HKAARN CCCN(C)C(=O)CCn1c2cc(Cl)c(Cl)cc2nc1Cc1ccc(C)cc1 ZINC000096291240 568720742 /nfs/dbraw/zinc/72/07/42/568720742.db2.gz MHWLEQMYKNCXSJ-UHFFFAOYSA-N 0 0 418.368 5.501 50 0 HKAARN COc1ccc(-c2noc(CCN(C(=O)c3ccc(C)cc3)C3CCCCC3)n2)cc1 ZINC000096291938 568720924 /nfs/dbraw/zinc/72/09/24/568720924.db2.gz KOHMMSFAIVMHBE-UHFFFAOYSA-N 0 0 419.525 5.071 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291942 568720967 /nfs/dbraw/zinc/72/09/67/568720967.db2.gz MMWZWJAQBHOQAR-KDOFPFPSSA-N 0 0 417.431 5.581 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291943 568720932 /nfs/dbraw/zinc/72/09/32/568720932.db2.gz MMWZWJAQBHOQAR-KSSFIOAISA-N 0 0 417.431 5.581 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291944 568720984 /nfs/dbraw/zinc/72/09/84/568720984.db2.gz MMWZWJAQBHOQAR-RDTXWAMCSA-N 0 0 417.431 5.581 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291945 568720874 /nfs/dbraw/zinc/72/08/74/568720874.db2.gz MMWZWJAQBHOQAR-KBXCAEBGSA-N 0 0 417.431 5.581 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291953 568720865 /nfs/dbraw/zinc/72/08/65/568720865.db2.gz VKNLGNHWZKLCPM-PXAZEXFGSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291954 568720831 /nfs/dbraw/zinc/72/08/31/568720831.db2.gz VKNLGNHWZKLCPM-SJCJKPOMSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291955 568720855 /nfs/dbraw/zinc/72/08/55/568720855.db2.gz VKNLGNHWZKLCPM-SJKOYZFVSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291956 568720981 /nfs/dbraw/zinc/72/09/81/568720981.db2.gz VKNLGNHWZKLCPM-YVEFUNNKSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291978 568720936 /nfs/dbraw/zinc/72/09/36/568720936.db2.gz JUUMAMHDNUGIRQ-ABAIWWIYSA-N 0 0 409.433 5.334 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291979 568720928 /nfs/dbraw/zinc/72/09/28/568720928.db2.gz JUUMAMHDNUGIRQ-NHYWBVRUSA-N 0 0 409.433 5.334 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291980 568720963 /nfs/dbraw/zinc/72/09/63/568720963.db2.gz JUUMAMHDNUGIRQ-IAQYHMDHSA-N 0 0 409.433 5.334 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291981 568720830 /nfs/dbraw/zinc/72/08/30/568720830.db2.gz JUUMAMHDNUGIRQ-XHDPSFHLSA-N 0 0 409.433 5.334 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292009 568720910 /nfs/dbraw/zinc/72/09/10/568720910.db2.gz ZFAVACFHDAFDOZ-DYVFJYSZSA-N 0 0 403.404 5.273 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292010 568720858 /nfs/dbraw/zinc/72/08/58/568720858.db2.gz ZFAVACFHDAFDOZ-GUYCJALGSA-N 0 0 403.404 5.273 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292011 568720973 /nfs/dbraw/zinc/72/09/73/568720973.db2.gz ZFAVACFHDAFDOZ-CXAGYDPISA-N 0 0 403.404 5.273 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096292012 568720838 /nfs/dbraw/zinc/72/08/38/568720838.db2.gz ZFAVACFHDAFDOZ-SUMWQHHRSA-N 0 0 403.404 5.273 50 0 HKAARN CCCNC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292051 568720848 /nfs/dbraw/zinc/72/08/48/568720848.db2.gz PCUFSNRKCZYZTD-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN CC(C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292057 568720842 /nfs/dbraw/zinc/72/08/42/568720842.db2.gz OWSBGLVIHUKHOA-UHFFFAOYSA-N 0 0 417.940 5.779 50 0 HKAARN CCCCN(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1Cl ZINC000096292172 568720877 /nfs/dbraw/zinc/72/08/77/568720877.db2.gz MIBYOGKCAVCGJP-UHFFFAOYSA-N 0 0 401.869 5.014 50 0 HKAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1cccc(F)c1 ZINC000096292392 568721154 /nfs/dbraw/zinc/72/11/54/568721154.db2.gz NIGLPUDMRNHXRZ-FQEVSTJZSA-N 0 0 421.859 5.243 50 0 HKAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1cccc(F)c1 ZINC000096292393 568721089 /nfs/dbraw/zinc/72/10/89/568721089.db2.gz NIGLPUDMRNHXRZ-HXUWFJFHSA-N 0 0 421.859 5.243 50 0 HKAARN CCCNC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3ccccc3)cn21 ZINC000096292431 568721212 /nfs/dbraw/zinc/72/12/12/568721212.db2.gz CGEWQJHLYIKRGV-UHFFFAOYSA-N 0 0 413.521 5.136 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NC[C@]3(C)CCCO3)c3ccc(F)cc3)c[nH]c21 ZINC000096292471 568721122 /nfs/dbraw/zinc/72/11/22/568721122.db2.gz DSROCBQRADVKJK-OFVILXPXSA-N 0 0 408.517 5.077 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NC[C@]3(C)CCCO3)c3ccc(F)cc3)c[nH]c21 ZINC000096292472 568721132 /nfs/dbraw/zinc/72/11/32/568721132.db2.gz DSROCBQRADVKJK-BWKNWUBXSA-N 0 0 408.517 5.077 50 0 HKAARN CCc1cccc2c([C@@H](CC(=O)NC[C@@]3(C)CCCO3)c3ccc(F)cc3)c[nH]c21 ZINC000096292473 568721084 /nfs/dbraw/zinc/72/10/84/568721084.db2.gz DSROCBQRADVKJK-SQJMNOBHSA-N 0 0 408.517 5.077 50 0 HKAARN CCc1cccc2c([C@H](CC(=O)NC[C@@]3(C)CCCO3)c3ccc(F)cc3)c[nH]c21 ZINC000096292474 568721161 /nfs/dbraw/zinc/72/11/61/568721161.db2.gz DSROCBQRADVKJK-PXDATVDWSA-N 0 0 408.517 5.077 50 0 HKAARN CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccccc1Cl ZINC000096292858 568721359 /nfs/dbraw/zinc/72/13/59/568721359.db2.gz ANPFFTOGOXGFLR-UHFFFAOYSA-N 0 0 404.297 5.137 50 0 HKAARN O=C(C1CCCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000096292909 568721317 /nfs/dbraw/zinc/72/13/17/568721317.db2.gz GUWWSHFGFOJVCE-UHFFFAOYSA-N 0 0 423.944 5.194 50 0 HKAARN Cc1cccc(-c2noc([C@H](NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)c1 ZINC000096292921 568721277 /nfs/dbraw/zinc/72/12/77/568721277.db2.gz JFVHLRCIUFLEEL-QGZVFWFLSA-N 0 0 403.404 5.191 50 0 HKAARN Cc1cccc(-c2noc([C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)c1 ZINC000096292922 568721435 /nfs/dbraw/zinc/72/14/35/568721435.db2.gz JFVHLRCIUFLEEL-KRWDZBQOSA-N 0 0 403.404 5.191 50 0 HKAARN CC(C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1Cl ZINC000096292961 568721438 /nfs/dbraw/zinc/72/14/38/568721438.db2.gz IJFHWVIWMYEEIS-UHFFFAOYSA-N 0 0 404.297 5.137 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)c3cccs3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096292996 568721259 /nfs/dbraw/zinc/72/12/59/568721259.db2.gz XWFWKZXYRMTGRO-SFHVURJKSA-N 0 0 417.534 5.553 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)c3cccs3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096292997 568721422 /nfs/dbraw/zinc/72/14/22/568721422.db2.gz XWFWKZXYRMTGRO-GOSISDBHSA-N 0 0 417.534 5.553 50 0 HKAARN CC(C)c1ccc(NC(=O)N[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000096293059 568721341 /nfs/dbraw/zinc/72/13/41/568721341.db2.gz DTVCDULSVHKBAG-ZDUSSCGKSA-N 0 0 418.419 5.762 50 0 HKAARN CC(C)c1ccc(NC(=O)N[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000096293060 568721354 /nfs/dbraw/zinc/72/13/54/568721354.db2.gz DTVCDULSVHKBAG-CYBMUJFWSA-N 0 0 418.419 5.762 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)CC(C)(C)C)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293070 568721452 /nfs/dbraw/zinc/72/14/52/568721452.db2.gz AQDDMNCGHRLLBO-IBGZPJMESA-N 0 0 405.542 5.614 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)CC(C)(C)C)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293071 568721382 /nfs/dbraw/zinc/72/13/82/568721382.db2.gz AQDDMNCGHRLLBO-LJQANCHMSA-N 0 0 405.542 5.614 50 0 HKAARN CC[C@@H](C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293094 568721286 /nfs/dbraw/zinc/72/12/86/568721286.db2.gz PQUXYYXYGAVGRE-PXAZEXFGSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@H](C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293095 568721355 /nfs/dbraw/zinc/72/13/55/568721355.db2.gz PQUXYYXYGAVGRE-SJCJKPOMSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293096 568721256 /nfs/dbraw/zinc/72/12/56/568721256.db2.gz PQUXYYXYGAVGRE-SJKOYZFVSA-N 0 0 421.394 5.412 50 0 HKAARN CC[C@H](C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293097 568721367 /nfs/dbraw/zinc/72/13/67/568721367.db2.gz PQUXYYXYGAVGRE-YVEFUNNKSA-N 0 0 421.394 5.412 50 0 HKAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)(C)C)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293135 568721295 /nfs/dbraw/zinc/72/12/95/568721295.db2.gz RMUCWUIVLGYSFF-SFHVURJKSA-N 0 0 421.541 5.314 50 0 HKAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)(C)C)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293136 568721404 /nfs/dbraw/zinc/72/14/04/568721404.db2.gz RMUCWUIVLGYSFF-GOSISDBHSA-N 0 0 421.541 5.314 50 0 HKAARN CCCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 ZINC000096293137 568721590 /nfs/dbraw/zinc/72/15/90/568721590.db2.gz QIBRRMXTVQOILH-UHFFFAOYSA-N 0 0 401.869 5.014 50 0 HKAARN CCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1Cl ZINC000096293185 568721612 /nfs/dbraw/zinc/72/16/12/568721612.db2.gz KKQBJFDWUMTGON-UHFFFAOYSA-N 0 0 404.297 5.138 50 0 HKAARN CC(C)(C)CC(=O)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293209 568721667 /nfs/dbraw/zinc/72/16/67/568721667.db2.gz XWONARMYFYAGGS-UHFFFAOYSA-N 0 0 403.954 5.530 50 0 HKAARN O=C(c1cccs1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293221 568721610 /nfs/dbraw/zinc/72/16/10/568721610.db2.gz SFVBHNOHPQQPAC-UHFFFAOYSA-N 0 0 415.946 5.469 50 0 HKAARN CC[C@@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1Cl ZINC000096293223 568721497 /nfs/dbraw/zinc/72/14/97/568721497.db2.gz NRHCXOMLAKHLIK-CQSZACIVSA-N 0 0 401.869 5.013 50 0 HKAARN CC[C@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1Cl ZINC000096293224 568721641 /nfs/dbraw/zinc/72/16/41/568721641.db2.gz NRHCXOMLAKHLIK-AWEZNQCLSA-N 0 0 401.869 5.013 50 0 HKAARN O=C(C1CCCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293239 568721600 /nfs/dbraw/zinc/72/16/00/568721600.db2.gz CBCQXUCNTJBMHL-UHFFFAOYSA-N 0 0 401.938 5.284 50 0 HKAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(C)c3)no2)Cc2ccccc2)cc1 ZINC000096293271 568721637 /nfs/dbraw/zinc/72/16/37/568721637.db2.gz IPWXUWIWUYMTEV-UHFFFAOYSA-N 0 0 411.505 5.239 50 0 HKAARN O=C(c1ccccc1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293289 568721487 /nfs/dbraw/zinc/72/14/87/568721487.db2.gz BLPKTAIYHGNSSZ-UHFFFAOYSA-N 0 0 409.917 5.408 50 0 HKAARN Cc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)c1 ZINC000096293302 568721573 /nfs/dbraw/zinc/72/15/73/568721573.db2.gz HRMNPKWDPRZTMR-UHFFFAOYSA-N 0 0 415.468 5.069 50 0 HKAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 ZINC000096293304 568721566 /nfs/dbraw/zinc/72/15/66/568721566.db2.gz ZBBKEEQOBWLWSY-UHFFFAOYSA-N 0 0 423.944 5.716 50 0 HKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 ZINC000096293330 568721671 /nfs/dbraw/zinc/72/16/71/568721671.db2.gz CLHOPGAMHLTGQS-INIZCTEOSA-N 0 0 420.862 5.985 50 0 HKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 ZINC000096293331 568721530 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O=C(Nc1cccc(-c2nccnc2N2CCCC2)c1)Nc1cccc(Cl)c1F ZINC000096386571 568743219 /nfs/dbraw/zinc/74/32/19/568743219.db2.gz NGJVALXPJVDNCV-UHFFFAOYSA-N 0 0 411.868 5.180 50 0 HKAARN O=C(Nc1cccc(-c2nccnc2N2CCCC2)c1)Nc1ccc(Cl)cc1F ZINC000096386572 568743262 /nfs/dbraw/zinc/74/32/62/568743262.db2.gz WNVXUBWRSCPRJI-UHFFFAOYSA-N 0 0 411.868 5.180 50 0 HKAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386578 568743250 /nfs/dbraw/zinc/74/32/50/568743250.db2.gz QYQZHDMYQPQYLB-UHFFFAOYSA-N 0 0 407.905 5.431 50 0 HKAARN CCOc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)cc1 ZINC000096386579 568743215 /nfs/dbraw/zinc/74/32/15/568743215.db2.gz IVKYEGHMRWSKJS-UHFFFAOYSA-N 0 0 417.513 5.177 50 0 HKAARN Cc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1C ZINC000096386580 568743240 /nfs/dbraw/zinc/74/32/40/568743240.db2.gz UAJPYQUQQXOKOG-UHFFFAOYSA-N 0 0 401.514 5.395 50 0 HKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)cc1C ZINC000096386581 568743232 /nfs/dbraw/zinc/74/32/32/568743232.db2.gz 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568743217 /nfs/dbraw/zinc/74/32/17/568743217.db2.gz IJPJKKRMNZJLPF-UHFFFAOYSA-N 0 0 401.514 5.340 50 0 HKAARN O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)Nc1ccccc1Cl ZINC000096386598 568743212 /nfs/dbraw/zinc/74/32/12/568743212.db2.gz DTAXAXJWLDTDGX-UHFFFAOYSA-N 0 0 407.905 5.431 50 0 HKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c(C)c1 ZINC000096386599 568743205 /nfs/dbraw/zinc/74/32/05/568743205.db2.gz VXYZHSUNFPYKPD-UHFFFAOYSA-N 0 0 401.514 5.395 50 0 HKAARN O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)Nc1cc(F)ccc1F ZINC000096386600 568743260 /nfs/dbraw/zinc/74/32/60/568743260.db2.gz QPJWKMFVQXDSOI-UHFFFAOYSA-N 0 0 409.440 5.056 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386604 568743169 /nfs/dbraw/zinc/74/31/69/568743169.db2.gz NOXVBEJCQHXNIO-UHFFFAOYSA-N 0 0 417.513 5.095 50 0 HKAARN O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)Nc1ccc(F)cc1F ZINC000096386607 568743258 /nfs/dbraw/zinc/74/32/58/568743258.db2.gz IJYQWHKDAUAIBH-UHFFFAOYSA-N 0 0 409.440 5.056 50 0 HKAARN CSc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1 ZINC000096386609 568743242 /nfs/dbraw/zinc/74/32/42/568743242.db2.gz ZEHISCDCZSMFNT-UHFFFAOYSA-N 0 0 419.554 5.500 50 0 HKAARN O=C(Nc1ccc2c(c1)CCC2)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386616 568743268 /nfs/dbraw/zinc/74/32/68/568743268.db2.gz ZHJPGQMEXGHLOT-UHFFFAOYSA-N 0 0 413.525 5.267 50 0 HKAARN Cc1c(F)cccc1NC(=O)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386617 568743221 /nfs/dbraw/zinc/74/32/21/568743221.db2.gz YNDOZTZKFVSUPP-UHFFFAOYSA-N 0 0 405.477 5.225 50 0 HKAARN CCc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1 ZINC000096386618 568743265 /nfs/dbraw/zinc/74/32/65/568743265.db2.gz IJMNLWQYUOJLQH-UHFFFAOYSA-N 0 0 401.514 5.340 50 0 HKAARN CSc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)cc1 ZINC000096386619 568743181 /nfs/dbraw/zinc/74/31/81/568743181.db2.gz ILCHUPWDAHPTDZ-UHFFFAOYSA-N 0 0 419.554 5.500 50 0 HKAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c(C)c1 ZINC000096386620 568743209 /nfs/dbraw/zinc/74/32/09/568743209.db2.gz 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COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)[nH]n2)c1 ZINC000096386794 568743559 /nfs/dbraw/zinc/74/35/59/568743559.db2.gz ZWUNJPPVJQBKDH-UHFFFAOYSA-N 0 0 404.514 5.114 50 0 HKAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(C)ccc4C)CC3)[nH]n2)c1 ZINC000096386795 568743544 /nfs/dbraw/zinc/74/35/44/568743544.db2.gz IRWPBGDTPRXEQT-UHFFFAOYSA-N 0 0 404.514 5.114 50 0 HKAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)[nH]n2)c1 ZINC000096386796 568743572 /nfs/dbraw/zinc/74/35/72/568743572.db2.gz KOXKVRZTMKDMAF-UHFFFAOYSA-N 0 0 404.514 5.114 50 0 HKAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)[nH]n2)c1 ZINC000096386802 568743577 /nfs/dbraw/zinc/74/35/77/568743577.db2.gz KQPAWYQQFIPMSW-UHFFFAOYSA-N 0 0 424.932 5.459 50 0 HKAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)[nH]n2)c1 ZINC000096386809 568743537 /nfs/dbraw/zinc/74/35/37/568743537.db2.gz IHULLFTVLYISMV-UHFFFAOYSA-N 0 0 424.932 5.459 50 0 HKAARN CCc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000096386811 568743535 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CSc1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000096396476 568744939 /nfs/dbraw/zinc/74/49/39/568744939.db2.gz YDVWXSLQZKHCOR-UHFFFAOYSA-N 0 0 422.481 5.065 50 0 HKAARN CC[C@H](NC(=O)c1c(C)oc2ccn(Cc3cccc(F)c3)c(=O)c21)c1cccs1 ZINC000096396522 568745031 /nfs/dbraw/zinc/74/50/31/568745031.db2.gz UIRCLVMJAYFFHN-KRWDZBQOSA-N 0 0 424.497 5.033 50 0 HKAARN CC[C@@H](NC(=O)c1c(C)oc2ccn(Cc3cccc(F)c3)c(=O)c21)c1cccs1 ZINC000096396523 568745126 /nfs/dbraw/zinc/74/51/26/568745126.db2.gz UIRCLVMJAYFFHN-QGZVFWFLSA-N 0 0 424.497 5.033 50 0 HKAARN Cc1oc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1Cn1cccn1 ZINC000096397183 568745957 /nfs/dbraw/zinc/74/59/57/568745957.db2.gz SLUOJOJPNLERTM-UHFFFAOYSA-N 0 0 414.509 5.445 50 0 HKAARN CC[C@H](C(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1)c1ccccc1 ZINC000096397193 568745965 /nfs/dbraw/zinc/74/59/65/568745965.db2.gz DBXULHLDMXAKMT-NRFANRHFSA-N 0 0 400.482 5.027 50 0 HKAARN CC[C@@H](C(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1)c1ccccc1 ZINC000096397194 568745941 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O=C(NC(=Cc1ccccc1Cl)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000096562330 568760303 /nfs/dbraw/zinc/76/03/03/568760303.db2.gz GDOUSCJRZSEVMK-UDWIEESQSA-N 0 0 408.288 5.798 50 0 HKAARN c1ccc(COc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)cc2)cc1 ZINC000096562419 568760459 /nfs/dbraw/zinc/76/04/59/568760459.db2.gz OEJNUPDGLMETTP-UHFFFAOYSA-N 0 0 403.481 7.255 50 0 HKAARN N=C1NSC(c2c(Cl)cc(Cl)cc2Cl)=NC(Cl)=C1c1ccncc1 ZINC000096562420 568760461 /nfs/dbraw/zinc/76/04/61/568760461.db2.gz QWPWGWPQUWVZDR-UHFFFAOYSA-N 0 0 418.136 5.415 50 0 HKAARN CCNc1cc2c(cc1C)[C@@H](c1ccccc1C(=O)[O-])[C@H]1C=C(C)C(=[NH+]CC)C=C1N2 ZINC000096562469 568760386 /nfs/dbraw/zinc/76/03/86/568760386.db2.gz AZFZSBLDGUKXMU-DFBJGRDBSA-N 0 0 415.537 5.413 50 0 HKAARN CC(C)(C)c1cc(C(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1O ZINC000096562525 568760383 /nfs/dbraw/zinc/76/03/83/568760383.db2.gz PGOPOIGCSYGBSA-UHFFFAOYSA-N 0 0 404.348 6.002 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@H]32)cc1OC ZINC000096562529 568760403 /nfs/dbraw/zinc/76/04/03/568760403.db2.gz ZZMVYMZKZAFILE-IQGLISFBSA-N 0 0 417.530 5.989 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@H]32)cc1OC ZINC000096562530 568760422 /nfs/dbraw/zinc/76/04/22/568760422.db2.gz ZZMVYMZKZAFILE-CJAUYULYSA-N 0 0 417.530 5.989 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@@H]32)cc1OC ZINC000096562531 568760414 /nfs/dbraw/zinc/76/04/14/568760414.db2.gz ZZMVYMZKZAFILE-AVRWGWEMSA-N 0 0 417.530 5.989 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@@H]32)cc1OC ZINC000096562532 568760426 /nfs/dbraw/zinc/76/04/26/568760426.db2.gz ZZMVYMZKZAFILE-BVZFJXPGSA-N 0 0 417.530 5.989 50 0 HKAARN CSc1ccc(/C=C2/C=C([C@H](O)c3ccc(SC)cc3)c3ccccc32)cc1 ZINC000096563459 568760583 /nfs/dbraw/zinc/76/05/83/568760583.db2.gz XDKKGOJOEQYOES-IBOHTEHESA-N 0 0 402.584 6.802 50 0 HKAARN CSc1ccc(/C=C2/C=C([C@@H](O)c3ccc(SC)cc3)c3ccccc32)cc1 ZINC000096563461 568760615 /nfs/dbraw/zinc/76/06/15/568760615.db2.gz XDKKGOJOEQYOES-LXGMGKJTSA-N 0 0 402.584 6.802 50 0 HKAARN CC(=O)Nc1ccc(/C=C2/C=C([C@H](O)c3ccc(NC(C)=O)cc3)c3ccccc32)cc1 ZINC000096563531 568760559 /nfs/dbraw/zinc/76/05/59/568760559.db2.gz VWJRNRDWCVUIOR-DHRJEXSOSA-N 0 0 424.500 5.275 50 0 HKAARN CC(=O)Nc1ccc(/C=C2/C=C([C@@H](O)c3ccc(NC(C)=O)cc3)c3ccccc32)cc1 ZINC000096563533 568760563 /nfs/dbraw/zinc/76/05/63/568760563.db2.gz VWJRNRDWCVUIOR-QJYWPWDYSA-N 0 0 424.500 5.275 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000096564214 569049961 /nfs/dbraw/zinc/04/99/61/569049961.db2.gz KTFWVLZDOMZQTF-UHFFFAOYSA-N 0 0 409.283 5.262 50 0 HKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c2ccccc12 ZINC000096564703 568760858 /nfs/dbraw/zinc/76/08/58/568760858.db2.gz PJHJKVXIJATOQA-UHFFFAOYSA-N 0 0 410.498 6.383 50 0 HKAARN C/C(=C\[C@@](C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000096568865 568761024 /nfs/dbraw/zinc/76/10/24/568761024.db2.gz MIJYTDQAOVQRRT-CNERDDIJSA-N 0 0 402.534 6.533 50 0 HKAARN C/C(=C\[C@](C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000096568866 568761004 /nfs/dbraw/zinc/76/10/04/568761004.db2.gz MIJYTDQAOVQRRT-DWSYRZNFSA-N 0 0 402.534 6.533 50 0 HKAARN O=C1c2ccccc2[C@H]2C[C@H](Oc3ccccc3)N1N2c1ccc(Br)cc1 ZINC000096568925 568760983 /nfs/dbraw/zinc/76/09/83/568760983.db2.gz OFZDBILSEDIFES-RTWAWAEBSA-N 0 0 421.294 5.176 50 0 HKAARN C(=C/C1c2ccccc2CCc2ccccc21)\C1c2ccccc2CCc2ccccc21 ZINC000096576600 568761317 /nfs/dbraw/zinc/76/13/17/568761317.db2.gz MOXAJGFIZSTRPZ-QURGRASLSA-N 0 0 412.576 7.404 50 0 HKAARN CCCCCC1CCC(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC000096576666 568761350 /nfs/dbraw/zinc/76/13/50/568761350.db2.gz WNXDCGDUTUTAIJ-UHFFFAOYSA-N 0 0 417.575 5.548 50 0 HKAARN O=C(Nc1cc(NC(=O)c2ccccc2)cc(Oc2cccnc2)c1)c1ccccc1 ZINC000096576668 568761401 /nfs/dbraw/zinc/76/14/01/568761401.db2.gz FDTRYVRCOZRVDV-UHFFFAOYSA-N 0 0 409.445 5.379 50 0 HKAARN OC[C@@H](Nc1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc21)c1ccccc1 ZINC000096576766 568761319 /nfs/dbraw/zinc/76/13/19/568761319.db2.gz MIVHKLMCNZAZEV-HXUWFJFHSA-N 0 0 409.411 5.461 50 0 HKAARN OC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc21)c1ccccc1 ZINC000096576767 568761395 /nfs/dbraw/zinc/76/13/95/568761395.db2.gz MIVHKLMCNZAZEV-FQEVSTJZSA-N 0 0 409.411 5.461 50 0 HKAARN O=C1C[C@H](c2ccccc2)Cc2c1sc1nc(-c3ccc(Br)cc3)cn21 ZINC000096576773 568761446 /nfs/dbraw/zinc/76/14/46/568761446.db2.gz INDFWLBRGBGFOU-OAHLLOKOSA-N 0 0 423.335 5.738 50 0 HKAARN O=C1C[C@@H](c2ccccc2)Cc2c1sc1nc(-c3ccc(Br)cc3)cn21 ZINC000096576774 568761407 /nfs/dbraw/zinc/76/14/07/568761407.db2.gz INDFWLBRGBGFOU-HNNXBMFYSA-N 0 0 423.335 5.738 50 0 HKAARN CCSc1nnc2c(n1)O[C@@H](/C(C)=C\c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000096577490 568761414 /nfs/dbraw/zinc/76/14/14/568761414.db2.gz XKJBMDXVEQDPDU-OZDVPOGGSA-N 0 0 418.566 6.008 50 0 HKAARN CCSc1nnc2c(n1)O[C@H](/C(C)=C\c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000096577491 568761295 /nfs/dbraw/zinc/76/12/95/568761295.db2.gz XKJBMDXVEQDPDU-NKZVREJYSA-N 0 0 418.566 6.008 50 0 HKAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000096580120 568762264 /nfs/dbraw/zinc/76/22/64/568762264.db2.gz GQSLHPLGBOSSMO-UHFFFAOYSA-N 0 0 416.502 5.201 50 0 HKAARN CC(C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000096580310 568762280 /nfs/dbraw/zinc/76/22/80/568762280.db2.gz RZPVXNKFHKJMEL-VWLOTQADSA-N 0 0 409.533 5.130 50 0 HKAARN CC(C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000096580311 568762282 /nfs/dbraw/zinc/76/22/82/568762282.db2.gz RZPVXNKFHKJMEL-RUZDIDTESA-N 0 0 409.533 5.130 50 0 HKAARN CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000096580420 568762474 /nfs/dbraw/zinc/76/24/74/568762474.db2.gz JILWZYHMIKWYNH-WWELSJMBSA-N 0 0 418.537 5.627 50 0 HKAARN Cc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncc1-c1ccc(Cl)cc1 ZINC000096580423 568762453 /nfs/dbraw/zinc/76/24/53/568762453.db2.gz NEYULZVGGNJLPH-UHFFFAOYSA-N 0 0 414.336 5.247 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000096580533 568762439 /nfs/dbraw/zinc/76/24/39/568762439.db2.gz AMUMMLQLTZKLJW-MOUTVQLLSA-N 0 0 410.517 5.479 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000096580536 568762433 /nfs/dbraw/zinc/76/24/33/568762433.db2.gz AMUMMLQLTZKLJW-YCAMKHIRSA-N 0 0 410.517 5.479 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000096580539 568762476 /nfs/dbraw/zinc/76/24/76/568762476.db2.gz AMUMMLQLTZKLJW-UEQSERJNSA-N 0 0 410.517 5.479 50 0 HKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000096580542 568762417 /nfs/dbraw/zinc/76/24/17/568762417.db2.gz AMUMMLQLTZKLJW-QPXUXIHVSA-N 0 0 410.517 5.479 50 0 HKAARN CSc1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000096580577 568762448 /nfs/dbraw/zinc/76/24/48/568762448.db2.gz MPTHSYIJUZFDMN-OAQYLSRUSA-N 0 0 423.488 5.722 50 0 HKAARN CSc1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000096580580 568762443 /nfs/dbraw/zinc/76/24/43/568762443.db2.gz MPTHSYIJUZFDMN-NRFANRHFSA-N 0 0 423.488 5.722 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3C[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000096580606 568762464 /nfs/dbraw/zinc/76/24/64/568762464.db2.gz LFGHAOWCDTUPSJ-IFMALSPDSA-N 0 0 422.315 6.159 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3C[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000096580608 568762454 /nfs/dbraw/zinc/76/24/54/568762454.db2.gz LFGHAOWCDTUPSJ-RBBKRZOGSA-N 0 0 422.315 6.159 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3C[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000096580610 568762477 /nfs/dbraw/zinc/76/24/77/568762477.db2.gz LFGHAOWCDTUPSJ-IRLDBZIGSA-N 0 0 422.315 6.159 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3C[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000096580613 568762438 /nfs/dbraw/zinc/76/24/38/568762438.db2.gz LFGHAOWCDTUPSJ-UNMCSNQZSA-N 0 0 422.315 6.159 50 0 HKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000096580689 568762408 /nfs/dbraw/zinc/76/24/08/568762408.db2.gz JCRJKMADWNNBER-UHFFFAOYSA-N 0 0 421.525 6.524 50 0 HKAARN O=C(CSc1nc2ccccc2o1)Nc1ncc(-c2c[nH]c3ccccc32)s1 ZINC000096580866 568762442 /nfs/dbraw/zinc/76/24/42/568762442.db2.gz OPWMSSCPRMBEEU-UHFFFAOYSA-N 0 0 406.492 5.163 50 0 HKAARN CCc1ccc(NC(=O)c2cn3c(n2)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000096580919 568762422 /nfs/dbraw/zinc/76/24/22/568762422.db2.gz UQAZXBIEKQMBNA-PKOBYXMFSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccc(NC(=O)c2cn3c(n2)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000096580921 568762483 /nfs/dbraw/zinc/76/24/83/568762483.db2.gz UQAZXBIEKQMBNA-IEBWSBKVSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccc(NC(=O)c2cn3c(n2)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000096580923 568762466 /nfs/dbraw/zinc/76/24/66/568762466.db2.gz UQAZXBIEKQMBNA-HKUYNNGSSA-N 0 0 414.431 5.358 50 0 HKAARN CCc1ccc(NC(=O)c2cn3c(n2)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000096580925 568762461 /nfs/dbraw/zinc/76/24/61/568762461.db2.gz UQAZXBIEKQMBNA-MJGOQNOKSA-N 0 0 414.431 5.358 50 0 HKAARN O=C(c1c(Cl)nc2ccc(Br)cc2c1-c1ccccc1)C(F)(F)F ZINC000096581229 568762415 /nfs/dbraw/zinc/76/24/15/568762415.db2.gz AILSBHUJPAOKIQ-UHFFFAOYSA-N 0 0 414.608 6.063 50 0 HKAARN CCN1c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)c3cccc(c23)C1=O ZINC000096581448 568762658 /nfs/dbraw/zinc/76/26/58/568762658.db2.gz PJNIHHFHIMULGF-UHFFFAOYSA-N 0 0 415.276 5.388 50 0 HKAARN CC(=O)C1(c2ccccc2)CCN(c2nccc(-c3cccc4ccccc43)n2)CC1 ZINC000096581747 568762691 /nfs/dbraw/zinc/76/26/91/568762691.db2.gz NNOSFAILGAGGNU-UHFFFAOYSA-N 0 0 407.517 5.424 50 0 HKAARN O=C(c1ccccc1Br)N1c2ccccc2C(=O)O[C@@H]1c1cccs1 ZINC000096581821 568762661 /nfs/dbraw/zinc/76/26/61/568762661.db2.gz LMMORHKXXUVIDT-GOSISDBHSA-N 0 0 414.280 5.027 50 0 HKAARN O=C(c1ccccc1Br)N1c2ccccc2C(=O)O[C@H]1c1cccs1 ZINC000096581823 568762672 /nfs/dbraw/zinc/76/26/72/568762672.db2.gz LMMORHKXXUVIDT-SFHVURJKSA-N 0 0 414.280 5.027 50 0 HKAARN O=C(Cc1ccc(F)cc1)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000096581955 568762657 /nfs/dbraw/zinc/76/26/57/568762657.db2.gz UGPROJHJNCDJIS-UHFFFAOYSA-N 0 0 417.267 5.566 50 0 HKAARN Clc1ccc(CCNc2ncc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000096581969 568762660 /nfs/dbraw/zinc/76/26/60/568762660.db2.gz TXYZYZMQHUZDDE-UHFFFAOYSA-N 0 0 420.343 6.772 50 0 HKAARN O=C(OCc1ccccc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000096581999 568762653 /nfs/dbraw/zinc/76/26/53/568762653.db2.gz FCJQICUIQZDANM-QFIPXVFZSA-N 0 0 406.869 5.020 50 0 HKAARN O=C(OCc1ccccc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000096582001 568762679 /nfs/dbraw/zinc/76/26/79/568762679.db2.gz FCJQICUIQZDANM-JOCHJYFZSA-N 0 0 406.869 5.020 50 0 HKAARN CC(C)(C)c1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc(C(C)(C)C)c1O ZINC000096582074 568762690 /nfs/dbraw/zinc/76/26/90/568762690.db2.gz CWZJQQFZWMFZLQ-FQEVSTJZSA-N 0 0 412.599 5.782 50 0 HKAARN CC(C)(C)c1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc(C(C)(C)C)c1O ZINC000096582076 568762669 /nfs/dbraw/zinc/76/26/69/568762669.db2.gz CWZJQQFZWMFZLQ-HXUWFJFHSA-N 0 0 412.599 5.782 50 0 HKAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2/C=C\c2ccccc2)cc1 ZINC000096586054 568762882 /nfs/dbraw/zinc/76/28/82/568762882.db2.gz FNXGPSIXFKQUCR-GDNBJRDFSA-N 0 0 423.387 6.351 50 0 HKAARN Cc1cccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)c1C ZINC000096592109 568763087 /nfs/dbraw/zinc/76/30/87/568763087.db2.gz FTCVDJJKVRADJK-UHFFFAOYSA-N 0 0 417.490 5.143 50 0 HKAARN O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1cccs1 ZINC000096592116 568763121 /nfs/dbraw/zinc/76/31/21/568763121.db2.gz ZWNUJQBUMSVMSK-UHFFFAOYSA-N 0 0 407.882 5.071 50 0 HKAARN C[C@@]1(CC(=O)c2ccccc2)SC(c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000096592265 568763064 /nfs/dbraw/zinc/76/30/64/568763064.db2.gz BEIGIOYQZWIPAP-DEOSSOPVSA-N 0 0 400.503 5.227 50 0 HKAARN C[C@]1(CC(=O)c2ccccc2)SC(c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000096592266 568763094 /nfs/dbraw/zinc/76/30/94/568763094.db2.gz BEIGIOYQZWIPAP-XMMPIXPASA-N 0 0 400.503 5.227 50 0 HKAARN COc1ccc(C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(OC)cc2)cc1 ZINC000096592319 568763248 /nfs/dbraw/zinc/76/32/48/568763248.db2.gz AEICTJYNCVRDOK-DQMJNTIXSA-N 0 0 410.554 5.840 50 0 HKAARN COc1ccc(C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(OC)cc2)cc1 ZINC000096592320 568763339 /nfs/dbraw/zinc/76/33/39/568763339.db2.gz AEICTJYNCVRDOK-NTUVXCKYSA-N 0 0 410.554 5.840 50 0 HKAARN COc1ccc(C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccc(OC)cc2)cc1 ZINC000096592321 568763280 /nfs/dbraw/zinc/76/32/80/568763280.db2.gz AEICTJYNCVRDOK-PUZWTLIVSA-N 0 0 410.554 5.840 50 0 HKAARN COc1ccc(C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(OC)cc2)cc1 ZINC000096592322 568763231 /nfs/dbraw/zinc/76/32/31/568763231.db2.gz AEICTJYNCVRDOK-GKVQRAMASA-N 0 0 410.554 5.840 50 0 HKAARN O=C(Oc1csc(=S)n1-c1ccc(Br)cc1)c1ccccc1F ZINC000096592385 569049980 /nfs/dbraw/zinc/04/99/80/569049980.db2.gz NAODWHRRJCEDKW-UHFFFAOYSA-N 0 0 410.289 5.389 50 0 HKAARN CCOC(=O)c1c(SCc2ccccc2)nn2c1nc(C)cc2-c1ccccc1 ZINC000096592397 568763257 /nfs/dbraw/zinc/76/32/57/568763257.db2.gz GFMYLUMKJBHPGQ-UHFFFAOYSA-N 0 0 403.507 5.174 50 0 HKAARN FC(F)(F)c1ccc(CNc2nc(-c3ccccc3)nc3ccc(Cl)cc32)cn1 ZINC000096592401 568763340 /nfs/dbraw/zinc/76/33/40/568763340.db2.gz JFTAYKZRMISVDT-UHFFFAOYSA-N 0 0 414.818 5.976 50 0 HKAARN CC(=O)n1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000096592517 568763259 /nfs/dbraw/zinc/76/32/59/568763259.db2.gz UDOQXFOYHITSHB-FOCLMDBBSA-N 0 0 405.457 5.171 50 0 HKAARN Cc1csc(NC(=O)c2c(C)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)n1 ZINC000096592529 568763274 /nfs/dbraw/zinc/76/32/74/568763274.db2.gz ILYWTROGRIEFNN-UHFFFAOYSA-N 0 0 409.898 5.149 50 0 HKAARN COc1ccc([C@@H]2[C@H](C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593685 568763532 /nfs/dbraw/zinc/76/35/32/568763532.db2.gz PLONLJTTXZOZJN-FGZHOGPDSA-N 0 0 421.443 5.724 50 0 HKAARN COc1ccc([C@H]2[C@H](C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593686 568763598 /nfs/dbraw/zinc/76/35/98/568763598.db2.gz PLONLJTTXZOZJN-YADHBBJMSA-N 0 0 421.443 5.724 50 0 HKAARN COc1ccc([C@H]2[C@@H](C(OCc3ccccc3)=C(F)F)C(=O)N2c2ccccc2)cc1 ZINC000096593687 568763556 /nfs/dbraw/zinc/76/35/56/568763556.db2.gz PLONLJTTXZOZJN-VXKWHMMOSA-N 0 0 421.443 5.724 50 0 HKAARN O=C(Nc1cc(Oc2ccccc2)cc(Oc2cccnc2)c1)c1ccc(F)c(F)c1 ZINC000096593727 568763539 /nfs/dbraw/zinc/76/35/39/568763539.db2.gz WQIBHMVEQZEJTI-UHFFFAOYSA-N 0 0 418.399 6.197 50 0 HKAARN CCCCOc1ccc(OC(=O)c2ccc(C34CCC(CCC)(CC3)CC4)cc2)cc1 ZINC000096593745 568763577 /nfs/dbraw/zinc/76/35/77/568763577.db2.gz XGNGHVUWHSWYNZ-UHFFFAOYSA-N 0 0 420.593 7.477 50 0 HKAARN c1ccc(C2=NO[C@H](c3ccc4ccccc4n3)N2c2ccc3ccccc3c2)cc1 ZINC000096593759 568763443 /nfs/dbraw/zinc/76/34/43/568763443.db2.gz MSSCHNVLPULUAL-HHHXNRCGSA-N 0 0 401.469 6.285 50 0 HKAARN c1ccc(C2=NO[C@@H](c3ccc4ccccc4n3)N2c2ccc3ccccc3c2)cc1 ZINC000096593760 568763513 /nfs/dbraw/zinc/76/35/13/568763513.db2.gz MSSCHNVLPULUAL-MHZLTWQESA-N 0 0 401.469 6.285 50 0 HKAARN O=C(CSc1ccccn1)Nc1nnc(SCc2cccc3ccccc32)s1 ZINC000096593763 568763582 /nfs/dbraw/zinc/76/35/82/568763582.db2.gz PUQVIROHIBCPOV-UHFFFAOYSA-N 0 0 424.576 5.109 50 0 HKAARN COc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)c(OC)c1 ZINC000096593810 568763603 /nfs/dbraw/zinc/76/36/03/568763603.db2.gz UTLHYULGPPSDBK-MTJSOVHGSA-N 0 0 405.475 5.094 50 0 HKAARN O=c1c(-c2ccccc2NCc2ccccc2)nc2ccccc2n1Cc1ccccc1 ZINC000096593963 568763541 /nfs/dbraw/zinc/76/35/41/568763541.db2.gz XMWNMALWDZXYIY-UHFFFAOYSA-N 0 0 417.512 5.724 50 0 HKAARN COc1ccc(C(=O)C[C@H](Nc2cccc(Br)c2)c2ccccc2)cc1 ZINC000096593971 568763553 /nfs/dbraw/zinc/76/35/53/568763553.db2.gz YVNAOOUFMRAZHV-NRFANRHFSA-N 0 0 410.311 5.884 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Nc2cccc(Br)c2)c2ccccc2)cc1 ZINC000096593972 568763526 /nfs/dbraw/zinc/76/35/26/568763526.db2.gz YVNAOOUFMRAZHV-OAQYLSRUSA-N 0 0 410.311 5.884 50 0 HKAARN Nc1c(C2=NN[C@H](c3ccccc3)C2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000096594014 568763565 /nfs/dbraw/zinc/76/35/65/568763565.db2.gz PRZYTYGWPJJCEX-FQEVSTJZSA-N 0 0 424.573 5.863 50 0 HKAARN Nc1c(C2=NN[C@@H](c3ccccc3)C2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000096594015 568763495 /nfs/dbraw/zinc/76/34/95/568763495.db2.gz PRZYTYGWPJJCEX-HXUWFJFHSA-N 0 0 424.573 5.863 50 0 HKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(OC)cc2)sc2c1CCCCCC2 ZINC000096594371 568763631 /nfs/dbraw/zinc/76/36/31/568763631.db2.gz UZXPZVRSUBJLDQ-QINSGFPZSA-N 0 0 413.539 5.244 50 0 HKAARN COC(=O)c1c(NC(=O)/C=C\c2ccccc2Cl)sc2c1CCCCCC2 ZINC000096594400 568763675 /nfs/dbraw/zinc/76/36/75/568763675.db2.gz CAEYWOXCYNAWMR-SEYXRHQNSA-N 0 0 403.931 5.499 50 0 HKAARN Cc1cc(-c2ccc(Cl)cc2)nc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000096601896 558980890 /nfs/dbraw/zinc/98/08/90/558980890.db2.gz IQHTYXNCGVDXAK-HXUWFJFHSA-N 0 0 414.336 6.137 50 0 HKAARN Cc1cc(-c2ccc(Cl)cc2)nc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000096601897 558980953 /nfs/dbraw/zinc/98/09/53/558980953.db2.gz IQHTYXNCGVDXAK-FQEVSTJZSA-N 0 0 414.336 6.137 50 0 HKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1C ZINC000096601898 558980916 /nfs/dbraw/zinc/98/09/16/558980916.db2.gz MFBMBFRQNHPMHC-UHFFFAOYSA-N 0 0 422.481 5.990 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000096601994 558980967 /nfs/dbraw/zinc/98/09/67/558980967.db2.gz GJJFAQFPTKIPQE-UHFFFAOYSA-N 0 0 409.283 5.262 50 0 HKAARN O=c1c2c(nc(CSC(=S)c3ccccc3)n1C1CCCCC1)oc1c2CCC1 ZINC000096601998 558980956 /nfs/dbraw/zinc/98/09/56/558980956.db2.gz JWXSQJCICVYSOG-UHFFFAOYSA-N 0 0 424.591 5.592 50 0 HKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000096602003 558980982 /nfs/dbraw/zinc/98/09/82/558980982.db2.gz BHDHHXAXNTYOGY-UHFFFAOYSA-N 0 0 423.266 5.518 50 0 HKAARN Cc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000096602033 558981231 /nfs/dbraw/zinc/98/12/31/558981231.db2.gz ORDJAXPOQJESLC-RVDMUPIBSA-N 0 0 411.480 5.947 50 0 HKAARN Nc1c(C(=O)c2cccs2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 ZINC000096602103 558981218 /nfs/dbraw/zinc/98/12/18/558981218.db2.gz BZXNZHZCNGUDCP-UHFFFAOYSA-N 0 0 424.597 6.628 50 0 HKAARN COc1ccccc1-c1csc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 ZINC000096602111 558981115 /nfs/dbraw/zinc/98/11/15/558981115.db2.gz YIROKNZGSGOYSG-UHFFFAOYSA-N 0 0 409.294 5.386 50 0 HKAARN C[C@H](NC(=O)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000096602122 558981186 /nfs/dbraw/zinc/98/11/86/558981186.db2.gz NQDCDUATGNUQTP-HTAPYJJXSA-N 0 0 403.913 5.614 50 0 HKAARN C[C@@H](NC(=O)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000096602123 558981238 /nfs/dbraw/zinc/98/12/38/558981238.db2.gz NQDCDUATGNUQTP-VGOFRKELSA-N 0 0 403.913 5.614 50 0 HKAARN C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000096602124 558981193 /nfs/dbraw/zinc/98/11/93/558981193.db2.gz NQDCDUATGNUQTP-JTSKRJEESA-N 0 0 403.913 5.614 50 0 HKAARN C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccccc1 ZINC000096602125 558981130 /nfs/dbraw/zinc/98/11/30/558981130.db2.gz NQDCDUATGNUQTP-VGSWGCGISA-N 0 0 403.913 5.614 50 0 HKAARN CCCc1ccc(-c2csc(NC(=O)Nc3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000096602127 558981156 /nfs/dbraw/zinc/98/11/56/558981156.db2.gz SEDWRJPYAXASCK-UHFFFAOYSA-N 0 0 422.550 6.577 50 0 HKAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc(NC(=O)c3ccccc3)cs2)c1 ZINC000096602140 558981209 /nfs/dbraw/zinc/98/12/09/558981209.db2.gz FGMSKELLBOHCBT-UHFFFAOYSA-N 0 0 413.502 5.623 50 0 HKAARN c1ccc2cc3[nH]c(-c4cccc(-c5nc6cc7ccccc7cc6[nH]5)n4)nc3cc2c1 ZINC000096602166 558981398 /nfs/dbraw/zinc/98/13/98/558981398.db2.gz CQTGJKYBUCHLFO-UHFFFAOYSA-N 0 0 411.468 6.475 50 0 HKAARN Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl ZINC000096602185 558981402 /nfs/dbraw/zinc/98/14/02/558981402.db2.gz GRVSXOJZBXGANM-OAQYLSRUSA-N 0 0 422.912 5.125 50 0 HKAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl ZINC000096602186 558981390 /nfs/dbraw/zinc/98/13/90/558981390.db2.gz GRVSXOJZBXGANM-NRFANRHFSA-N 0 0 422.912 5.125 50 0 HKAARN CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cn3)cc2)CC1 ZINC000096602296 558981373 /nfs/dbraw/zinc/98/13/73/558981373.db2.gz ATIFMMXJCGMITJ-UHFFFAOYSA-N 0 0 403.654 8.896 50 0 HKAARN Cc1ccc(C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602323 558981432 /nfs/dbraw/zinc/98/14/32/558981432.db2.gz JEWJOJJQQRTFEX-NRFANRHFSA-N 0 0 418.751 7.381 50 0 HKAARN Cc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602324 558981330 /nfs/dbraw/zinc/98/13/30/558981330.db2.gz JEWJOJJQQRTFEX-OAQYLSRUSA-N 0 0 418.751 7.381 50 0 HKAARN CC1(C)Sc2ccccc2C2=C1C[C@]1(CO2)C(=O)c2ccccc2SC1(C)C ZINC000096602335 558981359 /nfs/dbraw/zinc/98/13/59/558981359.db2.gz FMYPDLYZVNNZPU-DEOSSOPVSA-N 0 0 408.588 6.456 50 0 HKAARN CC1(C)Sc2ccccc2C2=C1C[C@@]1(CO2)C(=O)c2ccccc2SC1(C)C ZINC000096602336 558981353 /nfs/dbraw/zinc/98/13/53/558981353.db2.gz FMYPDLYZVNNZPU-XMMPIXPASA-N 0 0 408.588 6.456 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc3sc(-c4cccc(Br)c4)nc3c2)c1 ZINC000096602356 558981629 /nfs/dbraw/zinc/98/16/29/558981629.db2.gz YEUCNDJTMWVOOY-UHFFFAOYSA-N 0 0 423.335 6.287 50 0 HKAARN Cc1ccc([C@H]2c3c(N)ncnc3Oc3ccc4cc(Br)ccc4c32)cc1 ZINC000096602450 558981631 /nfs/dbraw/zinc/98/16/31/558981631.db2.gz UALPJTIKHDLAEX-GOSISDBHSA-N 0 0 418.294 5.569 50 0 HKAARN Cc1ccc([C@@H]2c3c(N)ncnc3Oc3ccc4cc(Br)ccc4c32)cc1 ZINC000096602451 558981597 /nfs/dbraw/zinc/98/15/97/558981597.db2.gz UALPJTIKHDLAEX-SFHVURJKSA-N 0 0 418.294 5.569 50 0 HKAARN COc1ccc(C(=O)C[C@H](Nc2cccc(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602463 558981567 /nfs/dbraw/zinc/98/15/67/558981567.db2.gz GRYQGOVIYPVCII-NRFANRHFSA-N 0 0 400.305 6.428 50 0 HKAARN COc1ccc(C(=O)C[C@@H](Nc2cccc(Cl)c2)c2ccc(Cl)cc2)cc1 ZINC000096602464 558981577 /nfs/dbraw/zinc/98/15/77/558981577.db2.gz GRYQGOVIYPVCII-OAQYLSRUSA-N 0 0 400.305 6.428 50 0 HKAARN CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2)c(O)c(C(C)(C)C)c1 ZINC000096602637 558981761 /nfs/dbraw/zinc/98/17/61/558981761.db2.gz YPPYVYUVNDHENG-UHFFFAOYSA-N 0 0 404.348 6.002 50 0 HKAARN O=C(c1cc(-c2ccc(COc3ccccc3)cc2)nc2ccccc21)N1CCCCC1 ZINC000096602642 558981804 /nfs/dbraw/zinc/98/18/04/558981804.db2.gz VWSQGJDPQROLHU-UHFFFAOYSA-N 0 0 422.528 6.107 50 0 HKAARN CCOC(=O)Nc1cc(C(F)(F)F)ccc1Nc1c(OC)cccc1C(F)(F)F ZINC000096602693 558981878 /nfs/dbraw/zinc/98/18/78/558981878.db2.gz XPFCERBYTGRRKP-UHFFFAOYSA-N 0 0 422.325 6.045 50 0 HKAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1cccnc1 ZINC000096608701 558981876 /nfs/dbraw/zinc/98/18/76/558981876.db2.gz WTTUEEZJHBNYGP-SEYXRHQNSA-N 0 0 420.472 5.010 50 0 HKAARN CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCO)Cc1ccccc1 ZINC000096663731 559111991 /nfs/dbraw/zinc/11/19/91/559111991.db2.gz YICHDSBPDJBBHC-NRFANRHFSA-N 0 0 415.533 5.251 50 0 HKAARN CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCO)Cc1ccccc1 ZINC000096663732 559112027 /nfs/dbraw/zinc/11/20/27/559112027.db2.gz YICHDSBPDJBBHC-OAQYLSRUSA-N 0 0 415.533 5.251 50 0 HKAARN CN(C[C@@H](CCO)Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096663733 559111969 /nfs/dbraw/zinc/11/19/69/559111969.db2.gz YPTBGIPDZKECCJ-NRFANRHFSA-N 0 0 415.533 5.109 50 0 HKAARN CN(C[C@H](CCO)Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096663734 559112042 /nfs/dbraw/zinc/11/20/42/559112042.db2.gz YPTBGIPDZKECCJ-OAQYLSRUSA-N 0 0 415.533 5.109 50 0 HKAARN COc1cccc(/C=C\C(=O)N(C)Cc2cccc(Cl)c2Cl)c1OC(F)F ZINC000096809569 558991417 /nfs/dbraw/zinc/99/14/17/558991417.db2.gz DSYURPSCRPBOTK-KTKRTIGZSA-N 0 0 416.251 5.275 50 0 HKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000096809668 558991550 /nfs/dbraw/zinc/99/15/50/558991550.db2.gz NHUHADWAHXQEDK-SQFISAMPSA-N 0 0 401.441 5.540 50 0 HKAARN Clc1ccc(-c2nc(CSc3n[nH]c(C=Cc4cccs4)n3)no2)cc1 ZINC000096812667 558986867 /nfs/dbraw/zinc/98/68/67/558986867.db2.gz MKQICRVSCBHPDZ-FPLPWBNLSA-N 0 0 401.904 5.032 50 0 HKAARN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 ZINC000096837280 559112465 /nfs/dbraw/zinc/11/24/65/559112465.db2.gz CCOMDEACPDZGBK-UHFFFAOYSA-N 0 0 401.485 5.566 50 0 HKAARN O=C(Nc1cccc(/C=C\c2ccccn2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000096851364 558994797 /nfs/dbraw/zinc/99/47/97/558994797.db2.gz SVAKDOWPDMOOEO-GHXNOFRVSA-N 0 0 400.478 6.372 50 0 HKAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000096924993 568765320 /nfs/dbraw/zinc/76/53/20/568765320.db2.gz HTCNWVDIOLTXGO-KWEPMOPPSA-N 0 0 422.937 5.645 50 0 HKAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096924994 568765335 /nfs/dbraw/zinc/76/53/35/568765335.db2.gz HTCNWVDIOLTXGO-JNLAIUADSA-N 0 0 422.937 5.645 50 0 HKAARN CCCCn1nc(C)c(/C=C\C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1Cl ZINC000096926801 568765305 /nfs/dbraw/zinc/76/53/05/568765305.db2.gz QGBPFOUUVQBYRF-SEYXRHQNSA-N 0 0 411.937 5.099 50 0 HKAARN CCCOc1ccccc1NC(=O)/C=C\c1cccc(OCc2csc(C)n2)c1 ZINC000096936713 568765242 /nfs/dbraw/zinc/76/52/42/568765242.db2.gz HDOJBMQHBJCGGT-QXMHVHEDSA-N 0 0 408.523 5.471 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N(Cc3ccc(F)cc3)C3CC3)c2)cs1 ZINC000096936820 568765300 /nfs/dbraw/zinc/76/53/00/568765300.db2.gz QFLVXJMVWQFFTJ-GHXNOFRVSA-N 0 0 422.525 5.374 50 0 HKAARN O=C(CSc1n[nH]c(C=Cc2cccs2)n1)Nc1ccc(SC(F)F)cc1 ZINC000096940012 558894647 /nfs/dbraw/zinc/89/46/47/558894647.db2.gz LQPAZEYNTOQEHP-FPLPWBNLSA-N 0 0 424.523 5.082 50 0 HKAARN Cc1ccc(Cl)c(NC(=O)COC(=O)/C=C\c2cccc3cccnc23)c1Cl ZINC000096941144 568765461 /nfs/dbraw/zinc/76/54/61/568765461.db2.gz LJWWRGXLWZPBLQ-NTMALXAHSA-N 0 0 415.276 5.045 50 0 HKAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000096941146 568765573 /nfs/dbraw/zinc/76/55/73/568765573.db2.gz QWZRPBXITLZCSC-NXVVXOECSA-N 0 0 408.457 5.097 50 0 HKAARN Cc1ccc2cc(COC(=O)/C=C\c3cccc4cccnc34)c(Cl)nc2c1C ZINC000096941177 568765568 /nfs/dbraw/zinc/76/55/68/568765568.db2.gz RLNQOXPPTYTNGA-KHPPLWFESA-N 0 0 402.881 5.810 50 0 HKAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1 ZINC000096943947 527401873 /nfs/dbraw/zinc/40/18/73/527401873.db2.gz RQNPYGJRMKECME-SQZREULQSA-N 0 0 409.530 5.445 50 0 HKAARN Cn1cccc1[C@H]1CCCCCN1C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1 ZINC000096943950 559014986 /nfs/dbraw/zinc/01/49/86/559014986.db2.gz RQNPYGJRMKECME-BIGNBACZSA-N 0 0 409.530 5.445 50 0 HKAARN O=C(/C=C\c1ccc(F)cc1)OCc1csc(COc2ccc(Cl)cc2)n1 ZINC000096973021 558987075 /nfs/dbraw/zinc/98/70/75/558987075.db2.gz GJATZEOVQJUIRZ-KMKOMSMNSA-N 0 0 403.862 5.271 50 0 HKAARN CC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)s2)c1C ZINC000096996541 558987438 /nfs/dbraw/zinc/98/74/38/558987438.db2.gz BIKDGKJYTAUWMO-QBFSEMIESA-N 0 0 410.926 5.987 50 0 HKAARN CCC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)s2)c1C ZINC000096997709 559113066 /nfs/dbraw/zinc/11/30/66/559113066.db2.gz PRHKUXVZQUWURS-OWBHPGMISA-N 0 0 424.953 6.377 50 0 HKAARN CCC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1C ZINC000096997710 559113059 /nfs/dbraw/zinc/11/30/59/559113059.db2.gz WJGNTLUWOQYGLM-OWBHPGMISA-N 0 0 424.953 6.377 50 0 HKAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000096997818 568766214 /nfs/dbraw/zinc/76/62/14/568766214.db2.gz JAVGTVXPPOSKHU-JKSUJKDBSA-N 0 0 407.398 5.755 50 0 HKAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000096997821 568766142 /nfs/dbraw/zinc/76/61/42/568766142.db2.gz JAVGTVXPPOSKHU-HOTGVXAUSA-N 0 0 407.398 5.755 50 0 HKAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000096997824 559016765 /nfs/dbraw/zinc/01/67/65/559016765.db2.gz JAVGTVXPPOSKHU-HZPDHXFCSA-N 0 0 407.398 5.755 50 0 HKAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000096997827 568766193 /nfs/dbraw/zinc/76/61/93/568766193.db2.gz JAVGTVXPPOSKHU-CVEARBPZSA-N 0 0 407.398 5.755 50 0 HKAARN CC(=O)NCc1ccc(-c2nc(-c3cc(Br)cs3)sc2C)s1 ZINC000096998841 568766082 /nfs/dbraw/zinc/76/60/82/568766082.db2.gz CCTPRWUGJHHZGD-UHFFFAOYSA-N 0 0 413.387 5.307 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000096998950 558987343 /nfs/dbraw/zinc/98/73/43/558987343.db2.gz OEUAEZCAIHLGMY-QGZVFWFLSA-N 0 0 413.930 5.268 50 0 HKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000096998953 558987356 /nfs/dbraw/zinc/98/73/56/558987356.db2.gz OEUAEZCAIHLGMY-KRWDZBQOSA-N 0 0 413.930 5.268 50 0 HKAARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000096999245 558987450 /nfs/dbraw/zinc/98/74/50/558987450.db2.gz DWJIFXUYYZWWHB-AWEZNQCLSA-N 0 0 419.308 5.295 50 0 HKAARN Cc1noc([C@H](Sc2nnc(-c3ccco3)n2C2CCCCC2)c2ccccc2)n1 ZINC000097000551 559016904 /nfs/dbraw/zinc/01/69/04/559016904.db2.gz KIDHVZFQQNBBCD-LJQANCHMSA-N 0 0 421.526 5.616 50 0 HKAARN Cc1noc([C@@H](Sc2nnc(-c3ccco3)n2C2CCCCC2)c2ccccc2)n1 ZINC000097000554 568766140 /nfs/dbraw/zinc/76/61/40/568766140.db2.gz KIDHVZFQQNBBCD-IBGZPJMESA-N 0 0 421.526 5.616 50 0 HKAARN Cc1ccccc1CNc1ccccc1NC(=O)c1csc(-c2ccccn2)n1 ZINC000097050158 558988759 /nfs/dbraw/zinc/98/87/59/558988759.db2.gz MUENZXGAUUELFH-UHFFFAOYSA-N 0 0 400.507 5.378 50 0 HKAARN Clc1cccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)c1 ZINC000097077278 568767300 /nfs/dbraw/zinc/76/73/00/568767300.db2.gz CTXCYBFPQAWTSH-KRWDZBQOSA-N 0 0 413.264 5.178 50 0 HKAARN Clc1cccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)c1 ZINC000097077281 568767361 /nfs/dbraw/zinc/76/73/61/568767361.db2.gz CTXCYBFPQAWTSH-QGZVFWFLSA-N 0 0 413.264 5.178 50 0 HKAARN CSc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097077596 568767327 /nfs/dbraw/zinc/76/73/27/568767327.db2.gz PPZUABGIEMYGMK-GOSISDBHSA-N 0 0 424.913 5.247 50 0 HKAARN CSc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097077598 568767282 /nfs/dbraw/zinc/76/72/82/568767282.db2.gz PPZUABGIEMYGMK-SFHVURJKSA-N 0 0 424.913 5.247 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1 ZINC000097077656 568767406 /nfs/dbraw/zinc/76/74/06/568767406.db2.gz JOILAFKHICJTCF-HXUWFJFHSA-N 0 0 418.472 5.308 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1 ZINC000097077657 568767388 /nfs/dbraw/zinc/76/73/88/568767388.db2.gz JOILAFKHICJTCF-FQEVSTJZSA-N 0 0 418.472 5.308 50 0 HKAARN Cc1nc2ccccc2c(NC(=O)CCc2nc(-c3cccs3)no2)c1C(C)C ZINC000097104286 558993765 /nfs/dbraw/zinc/99/37/65/558993765.db2.gz UMIDIZDMRSLGRP-UHFFFAOYSA-N 0 0 406.511 5.349 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)cc1 ZINC000097104909 558993794 /nfs/dbraw/zinc/99/37/94/558993794.db2.gz ZATAWRVGESORRM-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)cc1 ZINC000097104910 558993723 /nfs/dbraw/zinc/99/37/23/558993723.db2.gz ZATAWRVGESORRM-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000097104917 558993788 /nfs/dbraw/zinc/99/37/88/558993788.db2.gz YXRUMRAQUNNUTQ-QHCPKHFHSA-N 0 0 424.504 5.528 50 0 HKAARN CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000097104918 558993737 /nfs/dbraw/zinc/99/37/37/558993737.db2.gz YXRUMRAQUNNUTQ-HSZRJFAPSA-N 0 0 424.504 5.528 50 0 HKAARN O=C(Cn1c(=O)scc1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000097105225 558993808 /nfs/dbraw/zinc/99/38/08/558993808.db2.gz ISEFRABLLAVGBB-UHFFFAOYSA-N 0 0 413.713 5.176 50 0 HKAARN CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000097105633 558993814 /nfs/dbraw/zinc/99/38/14/558993814.db2.gz QCMJGPHPCFQRKW-UHFFFAOYSA-N 0 0 408.523 5.022 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097125080 558995932 /nfs/dbraw/zinc/99/59/32/558995932.db2.gz HLWCBJLPFBTKDX-INIZCTEOSA-N 0 0 421.888 5.132 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097125084 558995924 /nfs/dbraw/zinc/99/59/24/558995924.db2.gz HLWCBJLPFBTKDX-MRXNPFEDSA-N 0 0 421.888 5.132 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(-c2cccs2)on1 ZINC000097134729 558996458 /nfs/dbraw/zinc/99/64/58/558996458.db2.gz IZYXALHOXKJQMB-UHFFFAOYSA-N 0 0 407.417 5.274 50 0 HKAARN Cc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097138350 558996564 /nfs/dbraw/zinc/99/65/64/558996564.db2.gz ZCHOKQMPIXOPOF-INIZCTEOSA-N 0 0 421.888 5.132 50 0 HKAARN Cc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097138353 558996589 /nfs/dbraw/zinc/99/65/89/558996589.db2.gz ZCHOKQMPIXOPOF-MRXNPFEDSA-N 0 0 421.888 5.132 50 0 HKAARN Cc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1Cl ZINC000097138595 558996700 /nfs/dbraw/zinc/99/67/00/558996700.db2.gz RREVURTZWAZTDR-KRWDZBQOSA-N 0 0 421.888 5.132 50 0 HKAARN Cc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1Cl ZINC000097138600 558996659 /nfs/dbraw/zinc/99/66/59/558996659.db2.gz RREVURTZWAZTDR-QGZVFWFLSA-N 0 0 421.888 5.132 50 0 HKAARN COCc1ccc([C@H]2CCCN2C(=O)c2sc(-c3ccccc3Cl)nc2C)o1 ZINC000097147863 558997112 /nfs/dbraw/zinc/99/71/12/558997112.db2.gz LXTUYTRCXVOOLP-QGZVFWFLSA-N 0 0 416.930 5.489 50 0 HKAARN COCc1ccc([C@@H]2CCCN2C(=O)c2sc(-c3ccccc3Cl)nc2C)o1 ZINC000097147868 558997175 /nfs/dbraw/zinc/99/71/75/558997175.db2.gz LXTUYTRCXVOOLP-KRWDZBQOSA-N 0 0 416.930 5.489 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097151752 558997333 /nfs/dbraw/zinc/99/73/33/558997333.db2.gz OXNQVZONKVGGBC-LJQANCHMSA-N 0 0 418.324 5.038 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097151753 558997340 /nfs/dbraw/zinc/99/73/40/558997340.db2.gz OXNQVZONKVGGBC-IBGZPJMESA-N 0 0 418.324 5.038 50 0 HKAARN FC(F)(F)c1cccc([C@H](NCc2cc(Cl)ccc2Cl)c2nc[nH]n2)c1 ZINC000097162203 558998136 /nfs/dbraw/zinc/99/81/36/558998136.db2.gz VTDRUWMKWQUAAJ-HNNXBMFYSA-N 0 0 401.219 5.010 50 0 HKAARN FC(F)(F)c1cccc([C@@H](NCc2cc(Cl)ccc2Cl)c2nc[nH]n2)c1 ZINC000097162204 558998150 /nfs/dbraw/zinc/99/81/50/558998150.db2.gz VTDRUWMKWQUAAJ-OAHLLOKOSA-N 0 0 401.219 5.010 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1OC ZINC000097164610 558998433 /nfs/dbraw/zinc/99/84/33/558998433.db2.gz CGBVKFYMFMZBLD-QFIPXVFZSA-N 0 0 402.494 5.078 50 0 HKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1OC ZINC000097164611 558998443 /nfs/dbraw/zinc/99/84/43/558998443.db2.gz CGBVKFYMFMZBLD-JOCHJYFZSA-N 0 0 402.494 5.078 50 0 HKAARN COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OC)[C@H](c1ccccc1)C2 ZINC000097164635 558998461 /nfs/dbraw/zinc/99/84/61/558998461.db2.gz UDWXRCOMQNAUNU-QFIPXVFZSA-N 0 0 406.457 5.174 50 0 HKAARN COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OC)[C@@H](c1ccccc1)C2 ZINC000097164636 558998459 /nfs/dbraw/zinc/99/84/59/558998459.db2.gz UDWXRCOMQNAUNU-JOCHJYFZSA-N 0 0 406.457 5.174 50 0 HKAARN COc1ccc2c(c1)CN(C(=O)Nc1cc(F)c(OC)c(F)c1)[C@H](c1ccccc1)C2 ZINC000097164664 558998586 /nfs/dbraw/zinc/99/85/86/558998586.db2.gz JVOARQURGHPAAC-QFIPXVFZSA-N 0 0 424.447 5.314 50 0 HKAARN COc1ccc2c(c1)CN(C(=O)Nc1cc(F)c(OC)c(F)c1)[C@@H](c1ccccc1)C2 ZINC000097164665 558998503 /nfs/dbraw/zinc/99/85/03/558998503.db2.gz JVOARQURGHPAAC-JOCHJYFZSA-N 0 0 424.447 5.314 50 0 HKAARN O=C(Cc1cnc2ccccc2c1)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000097165162 568769369 /nfs/dbraw/zinc/76/93/69/568769369.db2.gz NSQWRAMBTPPJPC-UHFFFAOYSA-N 0 0 403.869 5.043 50 0 HKAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000097165196 568769596 /nfs/dbraw/zinc/76/95/96/568769596.db2.gz MIIDYYGAPAHTGP-IBGZPJMESA-N 0 0 409.283 5.342 50 0 HKAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000097165197 568769634 /nfs/dbraw/zinc/76/96/34/568769634.db2.gz MIIDYYGAPAHTGP-LJQANCHMSA-N 0 0 409.283 5.342 50 0 HKAARN O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000097165252 568769605 /nfs/dbraw/zinc/76/96/05/568769605.db2.gz JSQHNVHDOIBFDV-SFHVURJKSA-N 0 0 413.246 5.173 50 0 HKAARN O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000097165253 568769620 /nfs/dbraw/zinc/76/96/20/568769620.db2.gz JSQHNVHDOIBFDV-GOSISDBHSA-N 0 0 413.246 5.173 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 ZINC000097165837 558998690 /nfs/dbraw/zinc/99/86/90/558998690.db2.gz CGAMCWHXCVCYHC-NRFANRHFSA-N 0 0 400.869 5.208 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1 ZINC000097165838 558998673 /nfs/dbraw/zinc/99/86/73/558998673.db2.gz CGAMCWHXCVCYHC-OAQYLSRUSA-N 0 0 400.869 5.208 50 0 HKAARN O=c1c2ccccc2nc2n1N1[C@H](C[C@@H]2CC/C=C\c2ccccc2)[C@@H]1c1ccccc1 ZINC000097324153 557270106 /nfs/dbraw/zinc/27/01/06/557270106.db2.gz MESUIWVVIPCEAW-ZJQVPCOASA-N 0 0 419.528 5.439 50 0 HKAARN Cc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)Nc2cccc(C)c2)cc1 ZINC000097340647 557496619 /nfs/dbraw/zinc/49/66/19/557496619.db2.gz IUACCGHJJPYJBT-ITYLOYPMSA-N 0 0 420.512 5.866 50 0 HKAARN C/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)OP(=O)(OC(C)C)OC(C)C ZINC000097359932 559052335 /nfs/dbraw/zinc/05/23/35/559052335.db2.gz IWMPNAHCWLJQJE-LCYFTJDESA-N 0 0 409.341 5.522 50 0 HKAARN Cc1cccc(NCN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1C ZINC000097371678 557735826 /nfs/dbraw/zinc/73/58/26/557735826.db2.gz GUDALXSYGOBLNZ-RQZCQDPDSA-N 0 0 407.322 5.716 50 0 HKAARN Clc1ccc(/C=C\c2nc(-c3ccccc3)cn3c4ccccc4nc23)c(Cl)c1 ZINC000097410944 557799486 /nfs/dbraw/zinc/79/94/86/557799486.db2.gz GBUIYDCEPAFYKD-QBFSEMIESA-N 0 0 416.311 7.027 50 0 HKAARN COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O ZINC000097441528 557800182 /nfs/dbraw/zinc/80/01/82/557800182.db2.gz WXYGFVPBAZSFKX-YSWHLYNJSA-N 0 0 400.887 5.011 50 0 HKAARN O=C(c1ccco1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 ZINC000097447405 557800444 /nfs/dbraw/zinc/80/04/44/557800444.db2.gz ABBUBZLTHBIYDK-FGZHOGPDSA-N 0 0 400.950 5.197 50 0 HKAARN O=C(c1ccco1)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 ZINC000097447406 557800353 /nfs/dbraw/zinc/80/03/53/557800353.db2.gz ABBUBZLTHBIYDK-YADHBBJMSA-N 0 0 400.950 5.197 50 0 HKAARN O=C(/C=C\c1ccccc1)Oc1ccc2ccc(OC(=O)/C=C\c3ccccc3)cc2c1 ZINC000097453591 557800806 /nfs/dbraw/zinc/80/08/06/557800806.db2.gz OZAJHCCSSUAVGM-WHYMJUELSA-N 0 0 420.464 6.077 50 0 HKAARN O=C(/C=C/c1ccccc1)Oc1ccc2ccc(OC(=O)/C=C\c3ccccc3)cc2c1 ZINC000097453595 557800832 /nfs/dbraw/zinc/80/08/32/557800832.db2.gz OZAJHCCSSUAVGM-MJZABRMRSA-N 0 0 420.464 6.077 50 0 HKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)/C=C\c3ccccc3)c2)c1 ZINC000097453786 557800799 /nfs/dbraw/zinc/80/07/99/557800799.db2.gz PEVZAMJWAYTZEI-FLIBITNWSA-N 0 0 404.897 5.861 50 0 HKAARN COc1ccc(NC(=O)c2sc3nnc(C)c(/C=C\c4ccccc4)c3c2N)cc1 ZINC000097464729 557808181 /nfs/dbraw/zinc/80/81/81/557808181.db2.gz LTBUHFPIVRQDBT-JYRVWZFOSA-N 0 0 416.506 5.013 50 0 HKAARN Cc1nnc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c1/C=C\c1ccccc1 ZINC000097464730 557808160 /nfs/dbraw/zinc/80/81/60/557808160.db2.gz VICHAKDWBXZJQE-GHXNOFRVSA-N 0 0 420.925 5.658 50 0 HKAARN COc1cc(C)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C ZINC000097464809 557808369 /nfs/dbraw/zinc/80/83/69/557808369.db2.gz GYCDXLZBTVFELP-VXLYETTFSA-N 0 0 401.915 6.021 50 0 HKAARN Cc1ccc(/C=C\c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)cc1 ZINC000097474738 559052582 /nfs/dbraw/zinc/05/25/82/559052582.db2.gz SZLMPGWYKGNSCM-GDNBJRDFSA-N 0 0 417.306 5.627 50 0 HKAARN COc1ccc(-n2nc(/C=C\c3ccc(C(F)(F)F)cc3)c3ccccc(=O)c32)cc1 ZINC000097474746 559052580 /nfs/dbraw/zinc/05/25/80/559052580.db2.gz VJWGXBIBQMEHBL-NVNXTCNLSA-N 0 0 422.406 5.584 50 0 HKAARN FC(F)(F)c1ccc(-c2nnc3sc(/C=C\c4ccc(Cl)cc4)nn32)cc1 ZINC000097474849 557809498 /nfs/dbraw/zinc/80/94/98/557809498.db2.gz HZDBCQPYLJXEHJ-KMKOMSMNSA-N 0 0 406.820 5.695 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C\c3ccc(Cl)cc3)c21 ZINC000097475287 557809509 /nfs/dbraw/zinc/80/95/09/557809509.db2.gz QRWRYXXMXYBSTM-JKAJJUHYSA-N 0 0 418.968 7.194 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000097475293 557809645 /nfs/dbraw/zinc/80/96/45/557809645.db2.gz MIVRGYYYCUHJCD-QXTOQHPWSA-N 0 0 418.968 7.194 50 0 HKAARN O=C(OCc1ccccc1)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(O)cc1 ZINC000097642526 559061541 /nfs/dbraw/zinc/06/15/41/559061541.db2.gz XEPUFDVGWBFWFK-FXBPSFAMSA-N 0 0 421.496 6.174 50 0 HKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCCOc1ccccc1C ZINC000097657963 557843228 /nfs/dbraw/zinc/84/32/28/557843228.db2.gz FOTRWCJFBRHVEJ-SEYXRHQNSA-N 0 0 424.928 5.145 50 0 HKAARN CCOC(=O)c1cc2cc(NCc3cc(Cl)cc4c3OCOC4)ccc2s1 ZINC000097674826 557841730 /nfs/dbraw/zinc/84/17/30/557841730.db2.gz ASCFZIGCLLZNBB-UHFFFAOYSA-N 0 0 403.887 5.210 50 0 HKAARN COc1ccccc1NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000097676088 557842222 /nfs/dbraw/zinc/84/22/22/557842222.db2.gz TVBLOANYHOWSKT-SSZFMOIBSA-N 0 0 413.452 5.339 50 0 HKAARN O=c1oc2cc(Br)ccc2n1Cc1csc(-c2ccccc2Cl)n1 ZINC000097731692 557856083 /nfs/dbraw/zinc/85/60/83/557856083.db2.gz DMFZNZNIQDWKLT-UHFFFAOYSA-N 0 0 421.703 5.182 50 0 HKAARN COC(=O)[C@@H](CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756731 559121014 /nfs/dbraw/zinc/12/10/14/559121014.db2.gz POAQUIBYIIDWNH-HSZRJFAPSA-N 0 0 407.510 5.037 50 0 HKAARN COC(=O)[C@H](CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756732 559121020 /nfs/dbraw/zinc/12/10/20/559121020.db2.gz POAQUIBYIIDWNH-QHCPKHFHSA-N 0 0 407.510 5.037 50 0 HKAARN COC(=O)c1cc2ccccc2cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756864 559121027 /nfs/dbraw/zinc/12/10/27/559121027.db2.gz RWPLECQAJMPGJB-UHFFFAOYSA-N 0 0 423.468 5.987 50 0 HKAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000097797807 559122334 /nfs/dbraw/zinc/12/23/34/559122334.db2.gz WSQCTQFTERXMRY-CEWHCAETSA-N 0 0 423.512 5.328 50 0 HKAARN CC(C)C[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000097844349 569013015 /nfs/dbraw/zinc/01/30/15/569013015.db2.gz SVIBZKKBBXXPMB-SANMLTNESA-N 0 0 401.550 5.847 50 0 HKAARN Cc1sc2[nH]c(-c3ccc(Cl)nc3)nc(=O)c2c1-c1ccc(Cl)cc1Cl ZINC000097881697 558753536 /nfs/dbraw/zinc/75/35/36/558753536.db2.gz OEHZMEJBBWPOBD-UHFFFAOYSA-N 0 0 422.724 5.982 50 0 HKAARN CCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000097944587 559124626 /nfs/dbraw/zinc/12/46/26/559124626.db2.gz FMWOIJKYVCOUMP-PMOQBDJRSA-N 0 0 419.521 5.107 50 0 HKAARN COc1ccc(Cn2cc([C@H](CC(=O)NCC(C)C)C(C)(C)C)c3ccccc32)cc1 ZINC000097954604 560849956 /nfs/dbraw/zinc/84/99/56/560849956.db2.gz MLEQHPSJMUCYKH-DEOSSOPVSA-N 0 0 420.597 5.990 50 0 HKAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)C(C)(C)C)c3ccccc32)cc1 ZINC000097954605 558865851 /nfs/dbraw/zinc/86/58/51/558865851.db2.gz MLEQHPSJMUCYKH-XMMPIXPASA-N 0 0 420.597 5.990 50 0 HKAARN COc1cc(/C=C\C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F ZINC000097985599 559008861 /nfs/dbraw/zinc/00/88/61/559008861.db2.gz MLVGUPCSZSVTDH-BENRWUELSA-N 0 0 403.469 6.195 50 0 HKAARN Cc1cccc(C(C)C)c1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994248 559011280 /nfs/dbraw/zinc/01/12/80/559011280.db2.gz NZFPESGWYLHEKW-RCCKNPSSSA-N 0 0 413.481 5.002 50 0 HKAARN CC[C@@H](C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000097994257 559011228 /nfs/dbraw/zinc/01/12/28/559011228.db2.gz KCGDBBUHWZVHTK-FIOICXDGSA-N 0 0 413.481 5.083 50 0 HKAARN CC[C@H](C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000097994258 559011269 /nfs/dbraw/zinc/01/12/69/559011269.db2.gz KCGDBBUHWZVHTK-JMMZKRSASA-N 0 0 413.481 5.083 50 0 HKAARN CC[C@@H](C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994262 559011231 /nfs/dbraw/zinc/01/12/31/559011231.db2.gz WZEMAOGDJKAGCX-FIOICXDGSA-N 0 0 413.481 5.083 50 0 HKAARN CC[C@H](C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994263 559011282 /nfs/dbraw/zinc/01/12/82/559011282.db2.gz WZEMAOGDJKAGCX-JMMZKRSASA-N 0 0 413.481 5.083 50 0 HKAARN C[C@H](NC(=O)/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2ccnc2)cc1 ZINC000098001032 559016457 /nfs/dbraw/zinc/01/64/57/559016457.db2.gz HNDMIJNNFYRLLW-CLOOOTJHSA-N 0 0 418.497 5.026 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2cccc(Cl)c2)s1 ZINC000098001829 560759028 /nfs/dbraw/zinc/75/90/28/560759028.db2.gz SFHKHFYXXJONOK-NTEUORMPSA-N 0 0 410.713 5.834 50 0 HKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OCc1cccc2cccnc21 ZINC000098002158 559016470 /nfs/dbraw/zinc/01/64/70/559016470.db2.gz SEXSZHUQXWCLRF-YPKPFQOOSA-N 0 0 411.505 5.161 50 0 HKAARN COc1ccccc1-c1cc(COC(=O)/C=C\c2ccc(Cl)c(Cl)c2)on1 ZINC000098002311 559016390 /nfs/dbraw/zinc/01/63/90/559016390.db2.gz AMLRVNYUFXOUML-CLFYSBASSA-N 0 0 404.249 5.414 50 0 HKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C\c2cccc(F)c2)c1 ZINC000098002478 559016537 /nfs/dbraw/zinc/01/65/37/559016537.db2.gz PQWLHJXGOXXGFQ-AVCMKVNGSA-N 0 0 416.496 5.587 50 0 HKAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)/C=C\c2cccc(F)c2)c1 ZINC000098002479 559016525 /nfs/dbraw/zinc/01/65/25/559016525.db2.gz PQWLHJXGOXXGFQ-VKNLVWNJSA-N 0 0 416.496 5.587 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2)cs1 ZINC000098002835 559016516 /nfs/dbraw/zinc/01/65/16/559016516.db2.gz ZDFRPLUCXHMZSZ-PIZKADEWSA-N 0 0 414.477 5.199 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N[C@H](C)c3ccc(F)c(F)c3)c2)cs1 ZINC000098002836 559016524 /nfs/dbraw/zinc/01/65/24/559016524.db2.gz ZDFRPLUCXHMZSZ-DEBLGDTFSA-N 0 0 414.477 5.199 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N(C)[C@@H](C)c3ccc(F)cc3)c2)cs1 ZINC000098002897 559016520 /nfs/dbraw/zinc/01/65/20/559016520.db2.gz YSGAOEYLSLFSEN-FGLWMGOFSA-N 0 0 410.514 5.402 50 0 HKAARN Cc1nc(COc2cccc(/C=C\C(=O)N(C)[C@H](C)c3ccc(F)cc3)c2)cs1 ZINC000098002898 559016528 /nfs/dbraw/zinc/01/65/28/559016528.db2.gz YSGAOEYLSLFSEN-JQPKSGMCSA-N 0 0 410.514 5.402 50 0 HKAARN COc1cc(Cl)c(NC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000098002920 559016545 /nfs/dbraw/zinc/01/65/45/559016545.db2.gz QPRLWNSQKGMSQG-XQRVVYSFSA-N 0 0 420.214 5.681 50 0 HKAARN O=C(/C=C\c1cccc2cccnc12)OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000098003467 559016527 /nfs/dbraw/zinc/01/65/27/559016527.db2.gz ZMFCCZJLLAWWRY-NXVVXOECSA-N 0 0 408.457 5.244 50 0 HKAARN CCOc1ccccc1/C=C\C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000098003850 559016669 /nfs/dbraw/zinc/01/66/69/559016669.db2.gz ACEQYVXCEXNWOX-NXVVXOECSA-N 0 0 401.466 5.381 50 0 HKAARN O=c1[nH]c(C(Cl)=Cc2ccc(OCc3ccccn3)cc2)nc2cc(Cl)ccc12 ZINC000098008641 560759199 /nfs/dbraw/zinc/75/91/99/560759199.db2.gz LQPMXKZNVVETPD-YBFXNURJSA-N 0 0 424.287 5.287 50 0 HKAARN O=C(/C=C\c1ccc(Br)s1)Nc1cccc(Oc2ccncc2)c1 ZINC000098009978 559126157 /nfs/dbraw/zinc/12/61/57/559126157.db2.gz PILHBSOAIOCZCB-ALCCZGGFSA-N 0 0 401.285 5.350 50 0 HKAARN Cc1nc(-c2cn(C(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc23)no1 ZINC000098071595 559126361 /nfs/dbraw/zinc/12/63/61/559126361.db2.gz KPOAIVGPPNHNQJ-UHFFFAOYSA-N 0 0 421.456 5.797 50 0 HKAARN CC(C)c1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072807 559126411 /nfs/dbraw/zinc/12/64/11/559126411.db2.gz HSEMNVNBWROTGB-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072937 559126447 /nfs/dbraw/zinc/12/64/47/559126447.db2.gz VRSQCMAERXRNRO-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072941 559126452 /nfs/dbraw/zinc/12/64/52/559126452.db2.gz DPENHLSKOCLVKF-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072951 559126657 /nfs/dbraw/zinc/12/66/57/559126657.db2.gz BWCVUYGCXRUONP-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN CC(C)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098072969 559126646 /nfs/dbraw/zinc/12/66/46/559126646.db2.gz AQDURXIISCBMHN-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN C[C@H](C(=O)Nc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073004 559126656 /nfs/dbraw/zinc/12/66/56/559126656.db2.gz NGZVNLGKDHULFF-HNNXBMFYSA-N 0 0 408.295 5.422 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073005 559126640 /nfs/dbraw/zinc/12/66/40/559126640.db2.gz NGZVNLGKDHULFF-OAHLLOKOSA-N 0 0 408.295 5.422 50 0 HKAARN C[C@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073006 559126577 /nfs/dbraw/zinc/12/65/77/559126577.db2.gz SKQATPIQDARNNF-AWEZNQCLSA-N 0 0 415.386 5.818 50 0 HKAARN C[C@@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073007 559126583 /nfs/dbraw/zinc/12/65/83/559126583.db2.gz SKQATPIQDARNNF-CQSZACIVSA-N 0 0 415.386 5.818 50 0 HKAARN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(Br)c1 ZINC000098073010 559126620 /nfs/dbraw/zinc/12/66/20/559126620.db2.gz PNNZGYYIEZCIDD-INIZCTEOSA-N 0 0 422.322 5.731 50 0 HKAARN Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(Br)c1 ZINC000098073011 559126618 /nfs/dbraw/zinc/12/66/18/559126618.db2.gz PNNZGYYIEZCIDD-MRXNPFEDSA-N 0 0 422.322 5.731 50 0 HKAARN CC(C)c1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098073042 559126682 /nfs/dbraw/zinc/12/66/82/559126682.db2.gz VXPVDUZHJIXGOK-UHFFFAOYSA-N 0 0 422.266 5.392 50 0 HKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Br)cc1F ZINC000098073069 559126724 /nfs/dbraw/zinc/12/67/24/559126724.db2.gz QLIFAAUJCAOFCN-UHFFFAOYSA-N 0 0 411.580 5.904 50 0 HKAARN Cc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br ZINC000098073092 559126700 /nfs/dbraw/zinc/12/67/00/559126700.db2.gz VZJGRRZIKRZCKY-UHFFFAOYSA-N 0 0 407.617 6.074 50 0 HKAARN O=C(Nc1cccc2c1CCCC2)c1ccc(Br)cc1Br ZINC000098073264 559126717 /nfs/dbraw/zinc/12/67/17/559126717.db2.gz YVZGYYVRFVNSGM-UHFFFAOYSA-N 0 0 409.121 5.343 50 0 HKAARN Cc1cc(Br)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000098073292 559126688 /nfs/dbraw/zinc/12/66/88/559126688.db2.gz LGPAQKHTBBXEGI-UHFFFAOYSA-N 0 0 407.617 6.074 50 0 HKAARN O=C(NCc1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000098073293 559126716 /nfs/dbraw/zinc/12/67/16/559126716.db2.gz LCPYCPJCCXBFHK-UHFFFAOYSA-N 0 0 407.617 5.443 50 0 HKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 ZINC000098073331 559126694 /nfs/dbraw/zinc/12/66/94/559126694.db2.gz QECCJCQUWITGPJ-UHFFFAOYSA-N 0 0 407.617 6.074 50 0 HKAARN O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000098073341 559126721 /nfs/dbraw/zinc/12/67/21/559126721.db2.gz ATASEGIGGRPCAP-UHFFFAOYSA-N 0 0 423.356 6.495 50 0 HKAARN C[C@H](C(=O)NCc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073355 559126712 /nfs/dbraw/zinc/12/67/12/559126712.db2.gz DGRBXOZHDRNJQY-INIZCTEOSA-N 0 0 422.322 5.100 50 0 HKAARN C[C@@H](C(=O)NCc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073356 559126670 /nfs/dbraw/zinc/12/66/70/559126670.db2.gz DGRBXOZHDRNJQY-MRXNPFEDSA-N 0 0 422.322 5.100 50 0 HKAARN CCC(Pc1ccccc1-c1ccccc1)Pc1ccccc1-c1ccccc1 ZINC000098073367 559126729 /nfs/dbraw/zinc/12/67/29/559126729.db2.gz REGMRRKFKNPYIB-UHFFFAOYSA-N 0 0 412.453 7.065 50 0 HKAARN O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(F)cc1Cl ZINC000098086326 559064827 /nfs/dbraw/zinc/06/48/27/559064827.db2.gz HGQHYENEOLRSOJ-GIJQJNRQSA-N 0 0 403.862 5.041 50 0 HKAARN O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1c(F)cccc1Cl ZINC000098086327 559064843 /nfs/dbraw/zinc/06/48/43/559064843.db2.gz TVKHGJOQSQLYSY-VCHYOVAHSA-N 0 0 403.862 5.041 50 0 HKAARN O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000098086329 559064910 /nfs/dbraw/zinc/06/49/10/559064910.db2.gz VNGOJLLHHZBLJD-VCHYOVAHSA-N 0 0 420.317 5.555 50 0 HKAARN O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1cccc2ccccc21 ZINC000098086330 559064916 /nfs/dbraw/zinc/06/49/16/559064916.db2.gz MAWBNNAXVZVJTL-HYARGMPZSA-N 0 0 401.487 5.401 50 0 HKAARN CCOc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000098086375 559064886 /nfs/dbraw/zinc/06/48/86/559064886.db2.gz IPJYRGBHLYMAMK-QFIPXVFZSA-N 0 0 421.338 6.204 50 0 HKAARN CCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 ZINC000098086376 559064829 /nfs/dbraw/zinc/06/48/29/559064829.db2.gz IPJYRGBHLYMAMK-JOCHJYFZSA-N 0 0 421.338 6.204 50 0 HKAARN Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000098086413 559064864 /nfs/dbraw/zinc/06/48/64/559064864.db2.gz QHXQAIQGBLQLCR-UHFFFAOYSA-N 0 0 401.257 5.424 50 0 HKAARN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OC)c1 ZINC000098086511 559065206 /nfs/dbraw/zinc/06/52/06/559065206.db2.gz ZZXYRCQRPLOQND-IUXPMGMMSA-N 0 0 424.305 5.247 50 0 HKAARN O=C(CCC1CCCCC1)Nc1nnc(Cc2cccc(Br)c2)s1 ZINC000098086574 559065193 /nfs/dbraw/zinc/06/51/93/559065193.db2.gz XIFUEKALVFRCRT-UHFFFAOYSA-N 0 0 408.365 5.190 50 0 HKAARN O=C(Nc1nnc(Cc2cccc(Br)c2)s1)c1cccc2ccccc21 ZINC000098086582 559065312 /nfs/dbraw/zinc/06/53/12/559065312.db2.gz SJXJYQNEUYGPQN-UHFFFAOYSA-N 0 0 424.323 5.297 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 ZINC000098086901 559126797 /nfs/dbraw/zinc/12/67/97/559126797.db2.gz ZRGAQNKTRHQUKR-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000098086903 559126842 /nfs/dbraw/zinc/12/68/42/559126842.db2.gz BJLWXONJXUIVIZ-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 ZINC000098086904 559126840 /nfs/dbraw/zinc/12/68/40/559126840.db2.gz QVUPHROQSKOSGQ-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1 ZINC000098086905 559126791 /nfs/dbraw/zinc/12/67/91/559126791.db2.gz XEBYEVNHWPNBJI-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1cccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)c1 ZINC000098086907 559126849 /nfs/dbraw/zinc/12/68/49/559126849.db2.gz KAFSNPXLYNNGSF-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)cc1 ZINC000098086908 559126841 /nfs/dbraw/zinc/12/68/41/559126841.db2.gz DBIYCJRUIJOZBH-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccc(C)cc4)oc3c2)cc1 ZINC000098086909 559126805 /nfs/dbraw/zinc/12/68/05/559126805.db2.gz SZNHWQVXCJIOCA-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)cc1 ZINC000098086911 559065210 /nfs/dbraw/zinc/06/52/10/559065210.db2.gz MGZUMNHRSBOHNP-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)cc1 ZINC000098086912 559126843 /nfs/dbraw/zinc/12/68/43/559126843.db2.gz BMMFNMAMFABLLE-UHFFFAOYSA-N 0 0 415.518 5.492 50 0 HKAARN CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)cc1 ZINC000098086913 559126848 /nfs/dbraw/zinc/12/68/48/559126848.db2.gz RELCDRPBEVFEHT-UHFFFAOYSA-N 0 0 401.491 5.184 50 0 HKAARN CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3o2)cc1 ZINC000098086914 559126844 /nfs/dbraw/zinc/12/68/44/559126844.db2.gz GHVXNUVCJICXET-UHFFFAOYSA-N 0 0 415.518 5.492 50 0 HKAARN CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3o2)cc1 ZINC000098086915 559126831 /nfs/dbraw/zinc/12/68/31/559126831.db2.gz HRNBNCGSZWXHAL-UHFFFAOYSA-N 0 0 415.518 5.492 50 0 HKAARN Cc1cc(NC(=S)NC(=O)c2ccccc2C)cc2nc(-c3ccccc3C)oc21 ZINC000098086949 559065468 /nfs/dbraw/zinc/06/54/68/559065468.db2.gz XQFNHPBLJIEHHH-UHFFFAOYSA-N 0 0 415.518 5.547 50 0 HKAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000098086950 559065497 /nfs/dbraw/zinc/06/54/97/559065497.db2.gz RUBFEBPVLPGUFR-UHFFFAOYSA-N 0 0 421.909 5.583 50 0 HKAARN Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc2nc(-c3ccccc3C)oc21 ZINC000098086958 559065484 /nfs/dbraw/zinc/06/54/84/559065484.db2.gz JPMDVHNABFGDFK-UHFFFAOYSA-N 0 0 415.518 5.167 50 0 HKAARN CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3o2)cc1 ZINC000098086959 559065474 /nfs/dbraw/zinc/06/54/74/559065474.db2.gz ZBGHXZLFUUIHRN-UHFFFAOYSA-N 0 0 415.518 5.113 50 0 HKAARN O=C(NCCc1ccc(Br)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000098181559 558654988 /nfs/dbraw/zinc/65/49/88/558654988.db2.gz NWEHUKGQZFBKMF-UHFFFAOYSA-N 0 0 422.322 5.530 50 0 HKAARN CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000098211288 559127240 /nfs/dbraw/zinc/12/72/40/559127240.db2.gz IMEBYQPFTGJTLP-UHFFFAOYSA-N 0 0 400.482 5.186 50 0 HKAARN CC(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000098211326 559127238 /nfs/dbraw/zinc/12/72/38/559127238.db2.gz RHSWXYVJIALWFD-UHFFFAOYSA-N 0 0 404.445 5.106 50 0 HKAARN CC(C)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000098211411 559127270 /nfs/dbraw/zinc/12/72/70/559127270.db2.gz ZVQRUWVSASIZNU-UHFFFAOYSA-N 0 0 404.445 5.106 50 0 HKAARN CC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211412 559127268 /nfs/dbraw/zinc/12/72/68/559127268.db2.gz DGEQHZDTXANYLC-UHFFFAOYSA-N 0 0 404.445 5.106 50 0 HKAARN CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000098211443 559127398 /nfs/dbraw/zinc/12/73/98/559127398.db2.gz KKVNJKQVNXLHJW-UHFFFAOYSA-N 0 0 418.472 5.326 50 0 HKAARN CCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000098212148 559127620 /nfs/dbraw/zinc/12/76/20/559127620.db2.gz YPVNNZANTROZKA-UHFFFAOYSA-N 0 0 412.533 5.541 50 0 HKAARN CCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000098212149 559127636 /nfs/dbraw/zinc/12/76/36/559127636.db2.gz HGBULMRJQQHKLM-UHFFFAOYSA-N 0 0 416.496 5.372 50 0 HKAARN CCN1C(=S)N[C@@H](c2ccc(Cl)cc2)C(c2nc(-c3ccccc3)no2)=C1C ZINC000098212151 559127619 /nfs/dbraw/zinc/12/76/19/559127619.db2.gz WZDGMNCSHFDYRF-SFHVURJKSA-N 0 0 410.930 5.072 50 0 HKAARN CCN1C(=S)N[C@H](c2ccc(Cl)cc2)C(c2nc(-c3ccccc3)no2)=C1C ZINC000098212152 559127592 /nfs/dbraw/zinc/12/75/92/559127592.db2.gz WZDGMNCSHFDYRF-GOSISDBHSA-N 0 0 410.930 5.072 50 0 HKAARN COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2ncc(-c3ccccc3)s2)cc1 ZINC000098212464 559127718 /nfs/dbraw/zinc/12/77/18/559127718.db2.gz OZQWPSFMAJWTAU-FQEVSTJZSA-N 0 0 411.530 6.070 50 0 HKAARN COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2ncc(-c3ccccc3)s2)cc1 ZINC000098212465 559127682 /nfs/dbraw/zinc/12/76/82/559127682.db2.gz OZQWPSFMAJWTAU-HXUWFJFHSA-N 0 0 411.530 6.070 50 0 HKAARN CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1 ZINC000100003499 559128324 /nfs/dbraw/zinc/12/83/24/559128324.db2.gz SRJLZDPWUSOULH-XCWGHNLNSA-N 0 0 420.656 9.641 50 0 HKAARN CCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000100003547 559128321 /nfs/dbraw/zinc/12/83/21/559128321.db2.gz XJXZINVAFYRYRN-SZPZYZBQSA-N 0 0 408.582 7.549 50 0 HKAARN CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000100003581 559128330 /nfs/dbraw/zinc/12/83/30/559128330.db2.gz QIEMVWGALIVVIT-QUPDYRNUSA-N 0 0 406.610 8.103 50 0 HKAARN CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000100003633 559128311 /nfs/dbraw/zinc/12/83/11/559128311.db2.gz ILPSJDLONAPDJJ-GUOBSTCESA-N 0 0 420.637 8.493 50 0 HKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000100003818 559128312 /nfs/dbraw/zinc/12/83/12/559128312.db2.gz URHOZXIVCLJDNS-ZRZAMGCNSA-N 0 0 422.609 7.939 50 0 HKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1 ZINC000100003838 559128435 /nfs/dbraw/zinc/12/84/35/559128435.db2.gz KYLIOTOFNDEVBC-SZPZYZBQSA-N 0 0 408.582 7.549 50 0 HKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCCC)cc3)cc2)CC1 ZINC000100003864 559128395 /nfs/dbraw/zinc/12/83/95/559128395.db2.gz DDSVVIPTUMVQHZ-ZRZAMGCNSA-N 0 0 422.609 7.939 50 0 HKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 ZINC000100003865 559128413 /nfs/dbraw/zinc/12/84/13/559128413.db2.gz WJEFXOAPGDOQNG-SZPZYZBQSA-N 0 0 408.582 7.549 50 0 HKAARN Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000100050796 559117254 /nfs/dbraw/zinc/11/72/54/559117254.db2.gz WWMPJJGEDOGFQV-UHFFFAOYSA-N 0 0 404.084 5.105 50 0 HKAARN Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000100052069 559118189 /nfs/dbraw/zinc/11/81/89/559118189.db2.gz HIGHNNJJUXGDED-UHFFFAOYSA-N 0 0 404.084 5.517 50 0 HKAARN Brc1ccc(-c2cs/c(=N/c3ccccc3)n2-c2ccccc2)cc1 ZINC000100052954 559118188 /nfs/dbraw/zinc/11/81/88/559118188.db2.gz LZAFNSUJEVXXHK-XTQSDGFTSA-N 0 0 407.336 6.201 50 0 HKAARN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000100053727 559118502 /nfs/dbraw/zinc/11/85/02/559118502.db2.gz BSRMKTNCOFYCIX-ZROIWOOFSA-N 0 0 413.257 5.743 50 0 HKAARN Brc1ccc(-c2cs/c(=N\c3nccs3)n2-c2ccccc2)cc1 ZINC000100055292 559129287 /nfs/dbraw/zinc/12/92/87/559129287.db2.gz LDDHMMAWVRXJFJ-UZYVYHOESA-N 0 0 414.353 5.657 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000100091221 559136309 /nfs/dbraw/zinc/13/63/09/559136309.db2.gz YGIWWNQKNDJMQR-XMMPIXPASA-N 0 0 401.487 5.954 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000100091224 559136388 /nfs/dbraw/zinc/13/63/88/559136388.db2.gz YGIWWNQKNDJMQR-DEOSSOPVSA-N 0 0 401.487 5.954 50 0 HKAARN Cc1nnc(SCc2ccccc2)nc1C=CNc1cccc(C(F)(F)F)c1 ZINC000100104738 559150709 /nfs/dbraw/zinc/15/07/09/559150709.db2.gz HLRFSFVBUACJMT-ZHACJKMWSA-N 0 0 402.445 5.574 50 0 HKAARN Cc1nnc(SCc2ccc(Cl)cc2)nc1C=CNc1ccc(Cl)cc1 ZINC000100104748 559150698 /nfs/dbraw/zinc/15/06/98/559150698.db2.gz ACNJBISTRCFIKZ-ZHACJKMWSA-N 0 0 403.338 5.862 50 0 HKAARN O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100112536 559129884 /nfs/dbraw/zinc/12/98/84/559129884.db2.gz ZTIFJDRKKPALGU-AWEZNQCLSA-N 0 0 409.319 5.027 50 0 HKAARN O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000100114915 559129922 /nfs/dbraw/zinc/12/99/22/559129922.db2.gz XUFQCDAJIKKDRV-FQEVSTJZSA-N 0 0 416.527 5.388 50 0 HKAARN O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000100115063 559129933 /nfs/dbraw/zinc/12/99/33/559129933.db2.gz PJOXULQBGFAZOV-CQSZACIVSA-N 0 0 409.319 5.027 50 0 HKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000100141936 559130414 /nfs/dbraw/zinc/13/04/14/559130414.db2.gz ZOAOPHIRXMQHOL-QHCPKHFHSA-N 0 0 406.501 6.274 50 0 HKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000100141938 559130435 /nfs/dbraw/zinc/13/04/35/559130435.db2.gz ZOAOPHIRXMQHOL-HSZRJFAPSA-N 0 0 406.501 6.274 50 0 HKAARN Cc1ccc(CON/C=C/c2nc(SCc3ccc(Cl)cc3)nnc2C)cc1 ZINC000100142007 559163793 /nfs/dbraw/zinc/16/37/93/559163793.db2.gz FIIUGLSKXINYGW-VAWYXSNFSA-N 0 0 412.946 5.126 50 0 HKAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000100142720 559163849 /nfs/dbraw/zinc/16/38/49/559163849.db2.gz CZTOVYWGFVQRNP-HMAPJEAMSA-N 0 0 418.880 5.216 50 0 HKAARN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)N=[S@@](C)(=O)c1ccc(C)cc1 ZINC000100215249 559132001 /nfs/dbraw/zinc/13/20/01/559132001.db2.gz VNBGLRSCXJINFF-DEOSSOPVSA-N 0 0 413.973 5.017 50 0 HKAARN c1ccc(C(=C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1 ZINC000100216867 559132071 /nfs/dbraw/zinc/13/20/71/559132071.db2.gz GKAAGBJMSDXTLM-UHFFFAOYSA-N 0 0 417.531 8.278 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N=[S@](C)(=O)c1ccccc1 ZINC000100218519 559132174 /nfs/dbraw/zinc/13/21/74/559132174.db2.gz NCSRAWJZCOAFRJ-HHHXNRCGSA-N 0 0 424.309 5.646 50 0 HKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000100218622 559132150 /nfs/dbraw/zinc/13/21/50/559132150.db2.gz MWULHYBQTWZBHM-SANMLTNESA-N 0 0 409.294 5.254 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC000100218637 559132147 /nfs/dbraw/zinc/13/21/47/559132147.db2.gz VKYJMGNRMYGTIA-AREMUKBSSA-N 0 0 409.294 5.254 50 0 HKAARN Cc1ccc([S@](C)(=O)=NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000100218646 559132171 /nfs/dbraw/zinc/13/21/71/559132171.db2.gz DCJRVNVWUFBINJ-MHZLTWQESA-N 0 0 409.351 5.330 50 0 HKAARN COC(=O)C(=CNc1ccc(Cl)cc1F)c1ncc(C(F)(F)F)cc1Cl ZINC000100273607 559190669 /nfs/dbraw/zinc/19/06/69/559190669.db2.gz ABGYRGUSLOBLGX-YFHOEESVSA-N 0 0 409.166 5.172 50 0 HKAARN COC(=O)C(=CNc1ccc(C(F)(F)F)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100273620 559190689 /nfs/dbraw/zinc/19/06/89/559190689.db2.gz ZWVVDLMZLNMNPV-WQLSENKSSA-N 0 0 424.728 5.399 50 0 HKAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccccc1C ZINC000100296786 559193179 /nfs/dbraw/zinc/19/31/79/559193179.db2.gz NXERNUWGRWBFAU-PXLXIMEGSA-N 0 0 412.489 5.260 50 0 HKAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000100301015 559133869 /nfs/dbraw/zinc/13/38/69/559133869.db2.gz VUKJJWUCCIWWRW-JLPGSUDCSA-N 0 0 423.541 5.294 50 0 HKAARN CCOC(=O)c1c(-c2cccs2)csc1NC=C1C(=O)N(C)c2ccccc21 ZINC000100304058 559133961 /nfs/dbraw/zinc/13/39/61/559133961.db2.gz SUBXNGSRBURWBW-SDNWHVSQSA-N 0 0 410.520 5.083 50 0 HKAARN COc1ccc(-c2oc3ncn(CC(C)C)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000100306434 559193724 /nfs/dbraw/zinc/19/37/24/559193724.db2.gz DHKQLYJEYZZXBP-UHFFFAOYSA-N 0 0 403.482 5.116 50 0 HKAARN CC(C)(C)c1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O ZINC000100320660 559194195 /nfs/dbraw/zinc/19/41/95/559194195.db2.gz IEAPIUHPSGCQLV-RGEXLXHISA-N 0 0 414.615 5.378 50 0 HKAARN FC(F)(F)c1cnc(Oc2ccccc2/N=c2\ssnc2Cl)c(Cl)c1 ZINC000100323227 559194402 /nfs/dbraw/zinc/19/44/02/559194402.db2.gz JDHVJSPITCXPQM-BKUYFWCQSA-N 0 0 424.256 5.950 50 0 HKAARN COc1ccc(NC(=O)O[C@H]2/C(=C/c3c(F)cccc3Cl)N3CCC2CC3)cc1 ZINC000100325774 559195250 /nfs/dbraw/zinc/19/52/50/559195250.db2.gz UQQUQBKBXMVRSY-DMMSUNFISA-N 0 0 416.880 5.172 50 0 HKAARN COc1ccc(NC(=O)O[C@@H]2/C(=C/c3c(F)cccc3Cl)N3CCC2CC3)cc1 ZINC000100325777 559195348 /nfs/dbraw/zinc/19/53/48/559195348.db2.gz UQQUQBKBXMVRSY-MSTPFNHUSA-N 0 0 416.880 5.172 50 0 HKAARN FC(F)(F)c1cnc(Oc2ccc(/N=c3/ssnc3Cl)cc2)c(Cl)c1 ZINC000100327580 559194792 /nfs/dbraw/zinc/19/47/92/559194792.db2.gz SZJOPWZYPFGVOD-FYJGNVAPSA-N 0 0 424.256 5.950 50 0 HKAARN COc1cc2nc(SCc3cccnc3)n(C3CCCCCC3)c(=N)c2cc1OC ZINC000100330658 559195417 /nfs/dbraw/zinc/19/54/17/559195417.db2.gz SXKDOCFYKVGXQD-UHFFFAOYSA-N 0 0 424.570 5.116 50 0 HKAARN COc1ccc(-c2c(C)s/c(=N/Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000100340731 559134234 /nfs/dbraw/zinc/13/42/34/559134234.db2.gz IXNRQLFKCHSKJW-OCEACIFDSA-N 0 0 400.547 5.932 50 0 HKAARN Clc1ccc(-c2ccc(-c3csc(C=CNc4ccccc4)n3)o2)c(Cl)c1 ZINC000100393006 559198976 /nfs/dbraw/zinc/19/89/76/559198976.db2.gz HWLLFQBDTTWPIO-ZHACJKMWSA-N 0 0 413.329 7.460 50 0 HKAARN O=S(=O)(c1ccccc1)C(C=Nc1ccc(Cl)cc1)c1ccc(Cl)nc1 ZINC000100401371 559199200 /nfs/dbraw/zinc/19/92/00/559199200.db2.gz MVIFRSAYYZJFCM-AQTBWJFISA-N 0 0 405.306 5.273 50 0 HKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 ZINC000100424171 559135143 /nfs/dbraw/zinc/13/51/43/559135143.db2.gz RUYMIXHFMUVAQO-QYBDOPJKSA-N 0 0 406.485 6.172 50 0 HKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 ZINC000100424174 559135134 /nfs/dbraw/zinc/13/51/34/559135134.db2.gz RUYMIXHFMUVAQO-DWXRJYCRSA-N 0 0 406.485 6.172 50 0 HKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 ZINC000100424176 559135108 /nfs/dbraw/zinc/13/51/08/559135108.db2.gz RUYMIXHFMUVAQO-HFJWLAOPSA-N 0 0 406.485 6.172 50 0 HKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 ZINC000100424182 559135121 /nfs/dbraw/zinc/13/51/21/559135121.db2.gz RUYMIXHFMUVAQO-WXTAPIANSA-N 0 0 406.485 6.172 50 0 HKAARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100424231 559135128 /nfs/dbraw/zinc/13/51/28/559135128.db2.gz NKDSKRDPELATML-QFIPXVFZSA-N 0 0 408.498 5.584 50 0 HKAARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100424234 559135102 /nfs/dbraw/zinc/13/51/02/559135102.db2.gz NKDSKRDPELATML-JOCHJYFZSA-N 0 0 408.498 5.584 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000100424636 559135124 /nfs/dbraw/zinc/13/51/24/559135124.db2.gz IWRPQRDPBCLUKE-QYBDOPJKSA-N 0 0 414.480 6.463 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000100424641 559135129 /nfs/dbraw/zinc/13/51/29/559135129.db2.gz IWRPQRDPBCLUKE-DWXRJYCRSA-N 0 0 414.480 6.463 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000100424646 559135115 /nfs/dbraw/zinc/13/51/15/559135115.db2.gz IWRPQRDPBCLUKE-HFJWLAOPSA-N 0 0 414.480 6.463 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000100424650 559135101 /nfs/dbraw/zinc/13/51/01/559135101.db2.gz IWRPQRDPBCLUKE-WXTAPIANSA-N 0 0 414.480 6.463 50 0 HKAARN CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000100425585 559199594 /nfs/dbraw/zinc/19/95/94/559199594.db2.gz VSRDVLMBPJIGLH-RUZDIDTESA-N 0 0 418.537 6.288 50 0 HKAARN CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000100425588 559199577 /nfs/dbraw/zinc/19/95/77/559199577.db2.gz VSRDVLMBPJIGLH-VWLOTQADSA-N 0 0 418.537 6.288 50 0 HKAARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100425667 559135141 /nfs/dbraw/zinc/13/51/41/559135141.db2.gz VYHRPYQSAWOKNB-BVZFJXPGSA-N 0 0 400.909 6.969 50 0 HKAARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100425670 559135133 /nfs/dbraw/zinc/13/51/33/559135133.db2.gz VYHRPYQSAWOKNB-CJAUYULYSA-N 0 0 400.909 6.969 50 0 HKAARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100425673 559135145 /nfs/dbraw/zinc/13/51/45/559135145.db2.gz VYHRPYQSAWOKNB-AVRWGWEMSA-N 0 0 400.909 6.969 50 0 HKAARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100425677 559135113 /nfs/dbraw/zinc/13/51/13/559135113.db2.gz VYHRPYQSAWOKNB-IQGLISFBSA-N 0 0 400.909 6.969 50 0 HKAARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000100425742 559199974 /nfs/dbraw/zinc/19/99/74/559199974.db2.gz BZUIDZMGGAPFRG-LMKMVOKYSA-N 0 0 418.899 7.108 50 0 HKAARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000100425744 559200024 /nfs/dbraw/zinc/20/00/24/559200024.db2.gz BZUIDZMGGAPFRG-CPJLOUKISA-N 0 0 418.899 7.108 50 0 HKAARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000100425748 559200017 /nfs/dbraw/zinc/20/00/17/559200017.db2.gz BZUIDZMGGAPFRG-IVCQMTBJSA-N 0 0 418.899 7.108 50 0 HKAARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000100425752 559199960 /nfs/dbraw/zinc/19/99/60/559199960.db2.gz BZUIDZMGGAPFRG-PUAOIOHZSA-N 0 0 418.899 7.108 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000100426242 559135201 /nfs/dbraw/zinc/13/52/01/559135201.db2.gz JDYBZCXXQZNQCG-NFQMXDRXSA-N 0 0 410.517 6.633 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000100426245 559135183 /nfs/dbraw/zinc/13/51/83/559135183.db2.gz JDYBZCXXQZNQCG-HRFSGMKKSA-N 0 0 410.517 6.633 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000100426248 559135171 /nfs/dbraw/zinc/13/51/71/559135171.db2.gz JDYBZCXXQZNQCG-CCLHPLFOSA-N 0 0 410.517 6.633 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000100426253 559135181 /nfs/dbraw/zinc/13/51/81/559135181.db2.gz JDYBZCXXQZNQCG-DCFHFQCYSA-N 0 0 410.517 6.633 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000100426332 559135162 /nfs/dbraw/zinc/13/51/62/559135162.db2.gz RKNZMLRFXHXJEG-FYSMJZIKSA-N 0 0 402.519 6.386 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000100426335 559135177 /nfs/dbraw/zinc/13/51/77/559135177.db2.gz RKNZMLRFXHXJEG-GYCJOSAFSA-N 0 0 402.519 6.386 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000100426336 559135159 /nfs/dbraw/zinc/13/51/59/559135159.db2.gz RKNZMLRFXHXJEG-UPCLLVRISA-N 0 0 402.519 6.386 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000100426339 559135205 /nfs/dbraw/zinc/13/52/05/559135205.db2.gz RKNZMLRFXHXJEG-VOIUYBSRSA-N 0 0 402.519 6.386 50 0 HKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100426691 559135173 /nfs/dbraw/zinc/13/51/73/559135173.db2.gz WFAQSZPZOCFMGZ-NIYFSFCBSA-N 0 0 414.936 7.277 50 0 HKAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100426693 559135199 /nfs/dbraw/zinc/13/51/99/559135199.db2.gz WFAQSZPZOCFMGZ-BCHFMIIMSA-N 0 0 414.936 7.277 50 0 HKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100426697 559135211 /nfs/dbraw/zinc/13/52/11/559135211.db2.gz WFAQSZPZOCFMGZ-AFMDSPMNSA-N 0 0 414.936 7.277 50 0 HKAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100426701 559135190 /nfs/dbraw/zinc/13/51/90/559135190.db2.gz WFAQSZPZOCFMGZ-SIBVEZHUSA-N 0 0 414.936 7.277 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000100426848 559135213 /nfs/dbraw/zinc/13/52/13/559135213.db2.gz CFVWLTUWJKRNJS-CRICUBBOSA-N 0 0 416.908 6.675 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000100426852 559135167 /nfs/dbraw/zinc/13/51/67/559135167.db2.gz CFVWLTUWJKRNJS-NSYGIPOTSA-N 0 0 416.908 6.675 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000100426856 559135179 /nfs/dbraw/zinc/13/51/79/559135179.db2.gz CFVWLTUWJKRNJS-SSOJOUAXSA-N 0 0 416.908 6.675 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000100426859 559135184 /nfs/dbraw/zinc/13/51/84/559135184.db2.gz CFVWLTUWJKRNJS-GKVSMKOHSA-N 0 0 416.908 6.675 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2cccs2)cc1 ZINC000100427050 559135210 /nfs/dbraw/zinc/13/52/10/559135210.db2.gz UMPKOJHRSSWJMD-CRICUBBOSA-N 0 0 416.546 6.694 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2cccs2)cc1 ZINC000100427056 559135176 /nfs/dbraw/zinc/13/51/76/559135176.db2.gz UMPKOJHRSSWJMD-NSYGIPOTSA-N 0 0 416.546 6.694 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2cccs2)cc1 ZINC000100427059 559135164 /nfs/dbraw/zinc/13/51/64/559135164.db2.gz UMPKOJHRSSWJMD-SSOJOUAXSA-N 0 0 416.546 6.694 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2cccs2)cc1 ZINC000100427062 559135202 /nfs/dbraw/zinc/13/52/02/559135202.db2.gz UMPKOJHRSSWJMD-GKVSMKOHSA-N 0 0 416.546 6.694 50 0 HKAARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000100429212 559135302 /nfs/dbraw/zinc/13/53/02/559135302.db2.gz DYHIJTJYHJAKNN-GKVSMKOHSA-N 0 0 415.562 6.443 50 0 HKAARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000100429214 559135287 /nfs/dbraw/zinc/13/52/87/559135287.db2.gz DYHIJTJYHJAKNN-NSYGIPOTSA-N 0 0 415.562 6.443 50 0 HKAARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000100429218 559135303 /nfs/dbraw/zinc/13/53/03/559135303.db2.gz DYHIJTJYHJAKNN-SSOJOUAXSA-N 0 0 415.562 6.443 50 0 HKAARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000100429219 559135313 /nfs/dbraw/zinc/13/53/13/559135313.db2.gz DYHIJTJYHJAKNN-CRICUBBOSA-N 0 0 415.562 6.443 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000100429237 559200444 /nfs/dbraw/zinc/20/04/44/559200444.db2.gz YHEYBFZIYBBNIO-QYBDOPJKSA-N 0 0 412.489 6.240 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000100429241 559200410 /nfs/dbraw/zinc/20/04/10/559200410.db2.gz YHEYBFZIYBBNIO-DWXRJYCRSA-N 0 0 412.489 6.240 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000100429246 559200421 /nfs/dbraw/zinc/20/04/21/559200421.db2.gz YHEYBFZIYBBNIO-HFJWLAOPSA-N 0 0 412.489 6.240 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000100429248 559200466 /nfs/dbraw/zinc/20/04/66/559200466.db2.gz YHEYBFZIYBBNIO-WXTAPIANSA-N 0 0 412.489 6.240 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000100429281 559135274 /nfs/dbraw/zinc/13/52/74/559135274.db2.gz UXMSOTAOHFGXBS-IDISGSTGSA-N 0 0 408.501 6.257 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000100429285 559135285 /nfs/dbraw/zinc/13/52/85/559135285.db2.gz UXMSOTAOHFGXBS-ZBLYBZFDSA-N 0 0 408.501 6.257 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000100429288 559135294 /nfs/dbraw/zinc/13/52/94/559135294.db2.gz UXMSOTAOHFGXBS-KDYSTLNUSA-N 0 0 408.501 6.257 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000100429290 559135315 /nfs/dbraw/zinc/13/53/15/559135315.db2.gz UXMSOTAOHFGXBS-JIPXPUAJSA-N 0 0 408.501 6.257 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000100429292 559200464 /nfs/dbraw/zinc/20/04/64/559200464.db2.gz WKLOLQJVZKVBMU-KMRXNPHXSA-N 0 0 422.528 6.647 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000100429294 559200433 /nfs/dbraw/zinc/20/04/33/559200433.db2.gz WKLOLQJVZKVBMU-PIKZIKFNSA-N 0 0 422.528 6.647 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000100429296 559200416 /nfs/dbraw/zinc/20/04/16/559200416.db2.gz WKLOLQJVZKVBMU-RBTNQOKQSA-N 0 0 422.528 6.647 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000100429300 559200435 /nfs/dbraw/zinc/20/04/35/559200435.db2.gz 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Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1C ZINC000100502729 559135804 /nfs/dbraw/zinc/13/58/04/559135804.db2.gz KELPOJPJNQMGFZ-DXQXWHQDSA-N 0 0 407.513 5.546 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C12 ZINC000100505761 559135913 /nfs/dbraw/zinc/13/59/13/559135913.db2.gz OCRPJJVCTSPKOU-JOCHJYFZSA-N 0 0 420.331 6.700 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C12 ZINC000100505762 559135929 /nfs/dbraw/zinc/13/59/29/559135929.db2.gz OCRPJJVCTSPKOU-QFIPXVFZSA-N 0 0 420.331 6.700 50 0 HKAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000100521117 559217142 /nfs/dbraw/zinc/21/71/42/559217142.db2.gz QVHCBIHNSPQTPJ-FATVKVNYSA-N 0 0 423.512 5.328 50 0 HKAARN COc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000100531092 559136172 /nfs/dbraw/zinc/13/61/72/559136172.db2.gz RERWUIIUJAUTCA-AREMUKBSSA-N 0 0 405.453 6.137 50 0 HKAARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000100531098 559136194 /nfs/dbraw/zinc/13/61/94/559136194.db2.gz RERWUIIUJAUTCA-SANMLTNESA-N 0 0 405.453 6.137 50 0 HKAARN N=c1c2c(ncn1Cc1ccco1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000100547615 559223918 /nfs/dbraw/zinc/22/39/18/559223918.db2.gz YIGBSQVLQFJCDF-QFIPXVFZSA-N 0 0 405.457 5.443 50 0 HKAARN N=c1c2c(ncn1Cc1ccco1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000100547622 559223912 /nfs/dbraw/zinc/22/39/12/559223912.db2.gz YIGBSQVLQFJCDF-JOCHJYFZSA-N 0 0 405.457 5.443 50 0 HKAARN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000100557904 559136481 /nfs/dbraw/zinc/13/64/81/559136481.db2.gz PTLBVQKAPUXOIW-HHHXNRCGSA-N 0 0 419.480 6.527 50 0 HKAARN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000100557908 559136509 /nfs/dbraw/zinc/13/65/09/559136509.db2.gz PTLBVQKAPUXOIW-MHZLTWQESA-N 0 0 419.480 6.527 50 0 HKAARN CC(C)Cn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N ZINC000100562580 559136545 /nfs/dbraw/zinc/13/65/45/559136545.db2.gz BQTKBBVVGSBWKU-UHFFFAOYSA-N 0 0 422.532 5.949 50 0 HKAARN Cc1ccc(-c2csc(-c3cc4cc(Br)ccc4o/c3=N\O)n2)cc1 ZINC000100571065 559136713 /nfs/dbraw/zinc/13/67/13/559136713.db2.gz NJIQWYQHGGNAJA-PYCFMQQDSA-N 0 0 413.296 5.584 50 0 HKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580435 559136782 /nfs/dbraw/zinc/13/67/82/559136782.db2.gz GHQBARKLLMRQPO-UPRAQXHNSA-N 0 0 414.299 5.167 50 0 HKAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580439 559136795 /nfs/dbraw/zinc/13/67/95/559136795.db2.gz GHQBARKLLMRQPO-MJXNMMHHSA-N 0 0 414.299 5.167 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccccc2Cl)c1=O ZINC000100593775 559240466 /nfs/dbraw/zinc/24/04/66/559240466.db2.gz JSSHWHHEDBYRRW-UHFFFAOYSA-N 0 0 421.909 5.175 50 0 HKAARN COc1cc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100629604 559245786 /nfs/dbraw/zinc/24/57/86/559245786.db2.gz YSRNUNKHOBQIJB-QHCPKHFHSA-N 0 0 408.498 5.584 50 0 HKAARN COc1cc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100629605 559245777 /nfs/dbraw/zinc/24/57/77/559245777.db2.gz YSRNUNKHOBQIJB-HSZRJFAPSA-N 0 0 408.498 5.584 50 0 HKAARN COc1cc([C@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000100643302 559249526 /nfs/dbraw/zinc/24/95/26/559249526.db2.gz UOUAAKAOSKRZEP-JOCHJYFZSA-N 0 0 400.478 5.102 50 0 HKAARN COc1cc([C@@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000100643304 559249571 /nfs/dbraw/zinc/24/95/71/559249571.db2.gz UOUAAKAOSKRZEP-QFIPXVFZSA-N 0 0 400.478 5.102 50 0 HKAARN COc1ccc([C@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000100643306 559249565 /nfs/dbraw/zinc/24/95/65/559249565.db2.gz ZGBFGFWQMBCINU-XMMPIXPASA-N 0 0 414.505 5.405 50 0 HKAARN COc1ccc([C@@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000100643308 559249496 /nfs/dbraw/zinc/24/94/96/559249496.db2.gz ZGBFGFWQMBCINU-DEOSSOPVSA-N 0 0 414.505 5.405 50 0 HKAARN Brc1cccc([C@@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)c1 ZINC000100644982 559137335 /nfs/dbraw/zinc/13/73/35/559137335.db2.gz HVJIZAFKEPSZNJ-FQEVSTJZSA-N 0 0 403.283 5.250 50 0 HKAARN Brc1cccc([C@H]2CC(c3cccnc3)=Nc3nc4ccccc4n32)c1 ZINC000100644984 559137326 /nfs/dbraw/zinc/13/73/26/559137326.db2.gz HVJIZAFKEPSZNJ-HXUWFJFHSA-N 0 0 403.283 5.250 50 0 HKAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]21 ZINC000100648095 559137329 /nfs/dbraw/zinc/13/73/29/559137329.db2.gz YKTVDFRFGDGFHY-RNRVQEDPSA-N 0 0 402.277 5.487 50 0 HKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3o2)cc1 ZINC000100654714 559250917 /nfs/dbraw/zinc/25/09/17/559250917.db2.gz HCLHWJVIVXMIDE-UHFFFAOYSA-N 0 0 419.864 5.764 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccncc2)cc1 ZINC000100666068 569359235 /nfs/dbraw/zinc/35/92/35/569359235.db2.gz UIUHDAFCHYHAAU-FPOVZHCZSA-N 0 0 414.267 5.770 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccncc2)cc1 ZINC000100666069 569359214 /nfs/dbraw/zinc/35/92/14/569359214.db2.gz UIUHDAFCHYHAAU-CTNGQTDRSA-N 0 0 414.267 5.770 50 0 HKAARN O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000100668806 559137611 /nfs/dbraw/zinc/13/76/11/559137611.db2.gz XWTLKJXYVYQVNJ-CQSZACIVSA-N 0 0 409.319 5.027 50 0 HKAARN CCCCn1cnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2c1=N ZINC000100685463 559256282 /nfs/dbraw/zinc/25/62/82/559256282.db2.gz QWVAHBKSNJXZMN-UHFFFAOYSA-N 0 0 403.482 5.260 50 0 HKAARN Cc1ccc(-n2s/c(=N/C(=S)Nc3ccccc3)nc2-c2ccccc2)cc1 ZINC000100691769 559256971 /nfs/dbraw/zinc/25/69/71/559256971.db2.gz DLWDRALSSVYVJJ-YYDJUVGSSA-N 0 0 402.548 5.207 50 0 HKAARN C1=CC2C3C=CC(C4C5C6C7C=CC(C=CC76)C5C43)C2C2C1C1C2C2C3C=CC1C=CC32 ZINC000100694082 559137983 /nfs/dbraw/zinc/13/79/83/559137983.db2.gz GZFIBQJAXIMPOU-UHFFFAOYSA-N 0 0 416.608 5.797 50 0 HKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000100701091 559138115 /nfs/dbraw/zinc/13/81/15/559138115.db2.gz JEGSTYQJOBBYIE-IAPPQJPRSA-N 0 0 402.497 6.596 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cc(Cl)ccc3Cl)C12 ZINC000100702217 559257676 /nfs/dbraw/zinc/25/76/76/559257676.db2.gz VDRFZQVRKQLURM-JOCHJYFZSA-N 0 0 410.325 7.244 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cc(Cl)ccc3Cl)C12 ZINC000100702220 559257651 /nfs/dbraw/zinc/25/76/51/559257651.db2.gz VDRFZQVRKQLURM-QFIPXVFZSA-N 0 0 410.325 7.244 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000100702819 559138078 /nfs/dbraw/zinc/13/80/78/559138078.db2.gz QNWXRHSDLXBSBE-GMAHTHKFSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000100702820 559138121 /nfs/dbraw/zinc/13/81/21/559138121.db2.gz QNWXRHSDLXBSBE-GGAORHGYSA-N 0 0 419.322 6.000 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100702906 559138067 /nfs/dbraw/zinc/13/80/67/559138067.db2.gz UZBSMHIUMISVQV-GMAHTHKFSA-N 0 0 409.316 6.544 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccncc1)O2 ZINC000100706834 559138141 /nfs/dbraw/zinc/13/81/41/559138141.db2.gz NDJPEGXAQGILCC-LPHOPBHVSA-N 0 0 412.312 5.148 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](C1CCCCC1)O2 ZINC000100706861 559138091 /nfs/dbraw/zinc/13/80/91/559138091.db2.gz VPCLSNRAGIGHQA-PXNSSMCTSA-N 0 0 417.372 5.961 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100708347 559138180 /nfs/dbraw/zinc/13/81/80/559138180.db2.gz CCSMNTBDSZUBNP-UNMCSNQZSA-N 0 0 420.310 5.395 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100708349 559138187 /nfs/dbraw/zinc/13/81/87/559138187.db2.gz CCSMNTBDSZUBNP-IRLDBZIGSA-N 0 0 420.310 5.395 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000100708356 559138206 /nfs/dbraw/zinc/13/82/06/559138206.db2.gz JMTPYWJPKBCFEH-URXFXBBRSA-N 0 0 402.881 5.401 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000100708360 559138177 /nfs/dbraw/zinc/13/81/77/559138177.db2.gz JMTPYWJPKBCFEH-QPPBQGQZSA-N 0 0 402.881 5.401 50 0 HKAARN FC(F)(F)c1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100716268 559138220 /nfs/dbraw/zinc/13/82/20/559138220.db2.gz LEIIWPITSNGMAF-MRXNPFEDSA-N 0 0 421.220 5.115 50 0 HKAARN FC(F)(F)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100716269 559138176 /nfs/dbraw/zinc/13/81/76/559138176.db2.gz LEIIWPITSNGMAF-INIZCTEOSA-N 0 0 421.220 5.115 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000100716589 559138212 /nfs/dbraw/zinc/13/82/12/559138212.db2.gz WITLLMGNQHOCTO-QPPBQGQZSA-N 0 0 420.871 5.540 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000100716623 559138172 /nfs/dbraw/zinc/13/81/72/559138172.db2.gz BYSBDOAGQKDXSS-GMAHTHKFSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000100716626 559138169 /nfs/dbraw/zinc/13/81/69/559138169.db2.gz BYSBDOAGQKDXSS-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1nc2n(n1)[C@@H](c1ccc(Br)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100716686 559138346 /nfs/dbraw/zinc/13/83/46/559138346.db2.gz UIXCUNZMOOHPSH-QGZVFWFLSA-N 0 0 401.695 5.058 50 0 HKAARN Cc1nc2n(n1)[C@H](c1ccc(Br)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100716689 559138360 /nfs/dbraw/zinc/13/83/60/559138360.db2.gz UIXCUNZMOOHPSH-KRWDZBQOSA-N 0 0 401.695 5.058 50 0 HKAARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000100716693 559138323 /nfs/dbraw/zinc/13/83/23/559138323.db2.gz MAWNUDFHFIOGRD-KRWDZBQOSA-N 0 0 401.695 5.058 50 0 HKAARN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000100716696 559138333 /nfs/dbraw/zinc/13/83/33/559138333.db2.gz MAWNUDFHFIOGRD-QGZVFWFLSA-N 0 0 401.695 5.058 50 0 HKAARN FC(F)Oc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000100716787 559138336 /nfs/dbraw/zinc/13/83/36/559138336.db2.gz QMNMQGZAZJSKJM-QFIPXVFZSA-N 0 0 416.431 5.603 50 0 HKAARN FC(F)Oc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000100716791 559138362 /nfs/dbraw/zinc/13/83/62/559138362.db2.gz QMNMQGZAZJSKJM-JOCHJYFZSA-N 0 0 416.431 5.603 50 0 HKAARN FC(F)Oc1ccccc1[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000100716803 559138303 /nfs/dbraw/zinc/13/83/03/559138303.db2.gz LVIIYNFCXIKWOP-NRFANRHFSA-N 0 0 416.431 5.603 50 0 HKAARN FC(F)Oc1ccccc1[C@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000100716804 559138342 /nfs/dbraw/zinc/13/83/42/559138342.db2.gz LVIIYNFCXIKWOP-OAQYLSRUSA-N 0 0 416.431 5.603 50 0 HKAARN Cc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 ZINC000100716860 559138331 /nfs/dbraw/zinc/13/83/31/559138331.db2.gz FHXJJMFBSDKXGO-QGZVFWFLSA-N 0 0 401.695 5.058 50 0 HKAARN Cc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 ZINC000100716864 559138354 /nfs/dbraw/zinc/13/83/54/559138354.db2.gz FHXJJMFBSDKXGO-KRWDZBQOSA-N 0 0 401.695 5.058 50 0 HKAARN FC(F)Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000100717316 559138293 /nfs/dbraw/zinc/13/82/93/559138293.db2.gz OJJRAQGUDOIEMC-OAHLLOKOSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000100717322 527697251 /nfs/dbraw/zinc/69/72/51/527697251.db2.gz OJJRAQGUDOIEMC-HNNXBMFYSA-N 0 0 409.223 5.242 50 0 HKAARN CCN1C(=O)/C(=C/C=C2/Sc3cc(C)ccc3N2CC)N(c2ccccc2)C1=S ZINC000100717968 559259615 /nfs/dbraw/zinc/25/96/15/559259615.db2.gz IRAVIEBHZKVZTI-GRDMYJHDSA-N 0 0 421.591 5.306 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100720464 569359170 /nfs/dbraw/zinc/35/91/70/569359170.db2.gz YIIGYUNCCICRRB-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)cc1 ZINC000100720492 569359139 /nfs/dbraw/zinc/35/91/39/569359139.db2.gz GAVHQAQLYGBBOE-IRLDBZIGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100720557 569359185 /nfs/dbraw/zinc/35/91/85/569359185.db2.gz PDUWKRPKTNKGEZ-FPOVZHCZSA-N 0 0 424.273 5.226 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100720559 569359224 /nfs/dbraw/zinc/35/92/24/569359224.db2.gz PDUWKRPKTNKGEZ-CTNGQTDRSA-N 0 0 424.273 5.226 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000100720565 526327413 /nfs/dbraw/zinc/32/74/13/526327413.db2.gz IHYQKMQDWLIEQQ-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000100720599 559138338 /nfs/dbraw/zinc/13/83/38/559138338.db2.gz FIKXZGZYKWSBMH-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](C1CCCCC1)O2 ZINC000100720630 559138344 /nfs/dbraw/zinc/13/83/44/559138344.db2.gz OFLFWKSYDDEGJF-PXNSSMCTSA-N 0 0 401.304 5.492 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1ccncc1)O2 ZINC000100727121 569009735 /nfs/dbraw/zinc/00/97/35/569009735.db2.gz RYRPNVYMOYEEGV-ZCYQVOJMSA-N 0 0 411.892 6.131 50 0 HKAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c(Cl)c1 ZINC000100727312 569281854 /nfs/dbraw/zinc/28/18/54/569281854.db2.gz IGAYGXZEFIYMID-MRXNPFEDSA-N 0 0 422.113 5.403 50 0 HKAARN Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c(Cl)c1 ZINC000100727313 569281935 /nfs/dbraw/zinc/28/19/35/569281935.db2.gz IGAYGXZEFIYMID-INIZCTEOSA-N 0 0 422.113 5.403 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C(C)C)cc1OC ZINC000100730908 559138704 /nfs/dbraw/zinc/13/87/04/559138704.db2.gz JRAZUURDSZAUTD-DYESRHJHSA-N 0 0 421.324 5.536 50 0 HKAARN COc1ccccc1[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000100739015 559139078 /nfs/dbraw/zinc/13/90/78/559139078.db2.gz VMAMYDANOQOVBS-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C2CCCCC2)cc1 ZINC000100740470 569359183 /nfs/dbraw/zinc/35/91/83/569359183.db2.gz BYWCZOFGWADRKP-IRLDBZIGSA-N 0 0 419.327 6.582 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 ZINC000100740479 569359162 /nfs/dbraw/zinc/35/91/62/569359162.db2.gz ZDSMBFCZENIMEJ-IRLDBZIGSA-N 0 0 413.279 6.375 50 0 HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 ZINC000100744489 569008165 /nfs/dbraw/zinc/00/81/65/569008165.db2.gz AKAMYEOOALBFQV-IEZKXTBUSA-N 0 0 407.598 6.365 50 0 biogenic HKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000100747832 559262209 /nfs/dbraw/zinc/26/22/09/559262209.db2.gz AJCTUOVVUOISQR-AUSIDOKSSA-N 0 0 412.917 5.177 50 0 biogenic HKAARN COc1ccc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc1OC ZINC000100751404 559263009 /nfs/dbraw/zinc/26/30/09/559263009.db2.gz ABSTZGTWVHYLIW-SZXQPVLSSA-N 0 0 414.461 5.308 50 0 biogenic HKAARN CCCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)c(OCCC)c1 ZINC000100758065 559264196 /nfs/dbraw/zinc/26/41/96/559264196.db2.gz HLSSRUUDTYJCMQ-NRFANRHFSA-N 0 0 408.477 5.051 50 0 HKAARN CCCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)c(OCCC)c1 ZINC000100758070 559264240 /nfs/dbraw/zinc/26/42/40/559264240.db2.gz HLSSRUUDTYJCMQ-OAQYLSRUSA-N 0 0 408.477 5.051 50 0 HKAARN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000100771324 559140363 /nfs/dbraw/zinc/14/03/63/559140363.db2.gz ZRLFIXJRKNCCHY-QYOOZWMWSA-N 0 0 421.496 5.132 50 0 HKAARN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c1 ZINC000100771333 559140362 /nfs/dbraw/zinc/14/03/62/559140362.db2.gz ZRLFIXJRKNCCHY-XPGKHFPBSA-N 0 0 421.496 5.132 50 0 HKAARN Brc1ccc([C@H]2CC(c3ccccc3)=Nc3nc4ccccc4n32)cc1 ZINC000100775674 559265514 /nfs/dbraw/zinc/26/55/14/559265514.db2.gz GHQDMNNDNUCUPQ-OAQYLSRUSA-N 0 0 402.295 5.855 50 0 HKAARN Brc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc4ccccc4n32)cc1 ZINC000100775677 559265453 /nfs/dbraw/zinc/26/54/53/559265453.db2.gz GHQDMNNDNUCUPQ-NRFANRHFSA-N 0 0 402.295 5.855 50 0 HKAARN Brc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 ZINC000100791392 559267227 /nfs/dbraw/zinc/26/72/27/559267227.db2.gz PLSJWMFEPZGMTA-LSDHQDQOSA-N 0 0 411.324 5.853 50 0 HKAARN O=C(O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000100807571 559268658 /nfs/dbraw/zinc/26/86/58/559268658.db2.gz QKVVCLYTUSBWNY-HSZRJFAPSA-N 0 0 421.836 5.081 50 0 HKAARN Cn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100808997 559268648 /nfs/dbraw/zinc/26/86/48/559268648.db2.gz ZLOXTWSBYRHASR-DYTRJAOYSA-N 0 0 403.345 5.041 50 0 HKAARN Cn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc(-c2ccccc2)cc1 ZINC000100809001 559268651 /nfs/dbraw/zinc/26/86/51/559268651.db2.gz AHUDRRHVMAYJMJ-XTQSDGFTSA-N 0 0 423.335 5.410 50 0 HKAARN CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Oc3ccccc3)cc1)n2C ZINC000100814212 559269180 /nfs/dbraw/zinc/26/91/80/559269180.db2.gz NELJWOSVWNDUCX-WCWDXBQESA-N 0 0 404.491 5.172 50 0 HKAARN Cc1cc(C)c(C(=O)[C@H](O)[C@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000100820216 569013091 /nfs/dbraw/zinc/01/30/91/569013091.db2.gz HVHLUFAYNCBUBY-IXCJQBJRSA-N 0 0 400.562 6.221 50 0 HKAARN Cc1cc(C)c(C(=O)[C@H](O)[C@@H](c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000100820218 569013037 /nfs/dbraw/zinc/01/30/37/569013037.db2.gz HVHLUFAYNCBUBY-XTEPFMGCSA-N 0 0 400.562 6.221 50 0 HKAARN O=C1C[C@]2(c3ccccc31)c1ccccc1[C@@]1(c3ccccc3)c3ccccc3C(=O)[C@H]21 ZINC000100820882 559141064 /nfs/dbraw/zinc/14/10/64/559141064.db2.gz FYBGQGQDKPCNAS-DYIKCSJPSA-N 0 0 412.488 5.720 50 0 HKAARN CCn1c2c(s/c1=N\C(=O)c1sc3ccccc3c1Cl)c(C)ccc2OC ZINC000100823918 560759032 /nfs/dbraw/zinc/75/90/32/560759032.db2.gz DNVOIARTKRYFBN-XDOYNYLZSA-N 0 0 416.955 5.649 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000100829491 560759451 /nfs/dbraw/zinc/75/94/51/560759451.db2.gz WXJYBNJFHDKNLA-OAQYLSRUSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000100829492 560759430 /nfs/dbraw/zinc/75/94/30/560759430.db2.gz WXJYBNJFHDKNLA-NRFANRHFSA-N 0 0 419.315 6.308 50 0 HKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100830399 560759415 /nfs/dbraw/zinc/75/94/15/560759415.db2.gz TYQUSFVLKIEANY-NRFANRHFSA-N 0 0 420.850 5.933 50 0 HKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000100830400 560759413 /nfs/dbraw/zinc/75/94/13/560759413.db2.gz TYQUSFVLKIEANY-OAQYLSRUSA-N 0 0 420.850 5.933 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000100837524 560759642 /nfs/dbraw/zinc/75/96/42/560759642.db2.gz PNHVHHBMKGFQCA-OAQYLSRUSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000100837528 560759803 /nfs/dbraw/zinc/75/98/03/560759803.db2.gz PNHVHHBMKGFQCA-NRFANRHFSA-N 0 0 419.315 6.308 50 0 HKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000100840494 560759771 /nfs/dbraw/zinc/75/97/71/560759771.db2.gz NDXUOKAALQTQPV-NRFANRHFSA-N 0 0 402.860 5.794 50 0 HKAARN Fc1ccc(C2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000100840495 560759742 /nfs/dbraw/zinc/75/97/42/560759742.db2.gz NDXUOKAALQTQPV-OAQYLSRUSA-N 0 0 402.860 5.794 50 0 HKAARN CCn1c(-c2ccccc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000100840826 560759778 /nfs/dbraw/zinc/75/97/78/560759778.db2.gz GAVHQZJFOZVRTJ-OCOZRVBESA-N 0 0 415.566 5.454 50 0 HKAARN Cc1cccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)c1C ZINC000100841009 559141265 /nfs/dbraw/zinc/14/12/65/559141265.db2.gz PVAJCKRTZWUYOE-LCUIJRPUSA-N 0 0 418.949 6.217 50 0 HKAARN Cn1c2ccc3ccccc3c2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100842146 560759800 /nfs/dbraw/zinc/75/98/00/560759800.db2.gz LHUHTTSYGPOMKB-RQZHXJHFSA-N 0 0 422.509 5.365 50 0 HKAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1cc(-c3cccs3)nc3ccccc31)n2C ZINC000100843420 560759769 /nfs/dbraw/zinc/75/97/69/560759769.db2.gz WWGFWBIHHIQOMF-WJTDDFOZSA-N 0 0 415.543 5.566 50 0 HKAARN CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 ZINC000100857975 560760386 /nfs/dbraw/zinc/76/03/86/560760386.db2.gz TYOFQDFUJUNEAB-OCOZRVBESA-N 0 0 417.534 6.013 50 0 HKAARN CCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 ZINC000100858208 560760420 /nfs/dbraw/zinc/76/04/20/560760420.db2.gz JRKWJLJZAJNGAP-OCEACIFDSA-N 0 0 413.546 6.111 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100870424 560760497 /nfs/dbraw/zinc/76/04/97/560760497.db2.gz ZESCQMPRYCADAR-NRFANRHFSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100870427 560760461 /nfs/dbraw/zinc/76/04/61/560760461.db2.gz ZESCQMPRYCADAR-OAQYLSRUSA-N 0 0 419.315 6.308 50 0 HKAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100873368 560761418 /nfs/dbraw/zinc/76/14/18/560761418.db2.gz DFCMCWDWHSMIMW-FLFQWRMESA-N 0 0 416.974 5.431 50 0 HKAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)CCSc1ccccc1 ZINC000100873766 560761364 /nfs/dbraw/zinc/76/13/64/560761364.db2.gz PUCTTXPEGISKCI-XDOYNYLZSA-N 0 0 420.987 5.002 50 0 HKAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(F)cc3)c2c1 ZINC000100894206 560850609 /nfs/dbraw/zinc/85/06/09/560850609.db2.gz IHSCKKMFBZJNQT-UHFFFAOYSA-N 0 0 422.481 5.349 50 0 HKAARN CCCC/N=c1/scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC ZINC000100894505 560762233 /nfs/dbraw/zinc/76/22/33/560762233.db2.gz YIFMGOWGSOCGRD-OCOZRVBESA-N 0 0 408.567 5.937 50 0 HKAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)c2c1 ZINC000100894589 560762241 /nfs/dbraw/zinc/76/22/41/560762241.db2.gz SIMSZTZWNXNAJB-UHFFFAOYSA-N 0 0 418.518 5.437 50 0 HKAARN Fc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100900603 560762410 /nfs/dbraw/zinc/76/24/10/560762410.db2.gz PSDBGOMFXKCACQ-OAQYLSRUSA-N 0 0 402.860 5.794 50 0 HKAARN Fc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000100900607 560762387 /nfs/dbraw/zinc/76/23/87/560762387.db2.gz PSDBGOMFXKCACQ-NRFANRHFSA-N 0 0 402.860 5.794 50 0 HKAARN COC(=O)c1c(C=CNc2ccc(Cl)cc2)onc1-c1c(Cl)cccc1Cl ZINC000100913003 560762493 /nfs/dbraw/zinc/76/24/93/560762493.db2.gz VONRBYSTGVWPSS-MDZDMXLPSA-N 0 0 423.683 6.171 50 0 HKAARN Nc1c2c(nc(=S)n1-c1ccc(Cl)cc1)oc(-c1ccco1)c2-c1ccco1 ZINC000100913580 560762839 /nfs/dbraw/zinc/76/28/39/560762839.db2.gz PUBFCENZKJMOFO-UHFFFAOYSA-N 0 0 409.854 5.934 50 0 HKAARN COC(=O)c1c(C=CNc2ccc(OC)cc2)onc1-c1c(F)cccc1Cl ZINC000100915089 560762683 /nfs/dbraw/zinc/76/26/83/560762683.db2.gz BNSTUYYQPNYPMJ-ZHACJKMWSA-N 0 0 402.809 5.012 50 0 HKAARN CC(C)Oc1cc(-n2c(=O)c3cc(Cl)ccc3[nH]c2=S)c(Cl)cc1Cl ZINC000100924145 560763231 /nfs/dbraw/zinc/76/32/31/560763231.db2.gz CCICPAFKYRMXPP-UHFFFAOYSA-N 0 0 415.729 5.422 50 0 HKAARN CCCCn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N ZINC000100925639 560763185 /nfs/dbraw/zinc/76/31/85/560763185.db2.gz FIJCPNBNBVXNII-UHFFFAOYSA-N 0 0 422.532 6.093 50 0 HKAARN COc1cccc(C(=O)[C@@H](C(C)=O)[C@@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942938 560763487 /nfs/dbraw/zinc/76/34/87/560763487.db2.gz MGKOJWCFINKESS-XZOQPEGZSA-N 0 0 406.865 5.674 50 0 HKAARN COc1cccc(C(=O)[C@H](C(C)=O)[C@@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942942 560763507 /nfs/dbraw/zinc/76/35/07/560763507.db2.gz MGKOJWCFINKESS-DHIUTWEWSA-N 0 0 406.865 5.674 50 0 HKAARN COc1cccc(C(=O)[C@@H](C(C)=O)[C@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942948 560763495 /nfs/dbraw/zinc/76/34/95/560763495.db2.gz MGKOJWCFINKESS-GOTSBHOMSA-N 0 0 406.865 5.674 50 0 HKAARN COc1cccc(C(=O)[C@H](C(C)=O)[C@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942955 560763568 /nfs/dbraw/zinc/76/35/68/560763568.db2.gz MGKOJWCFINKESS-PKTZIBPZSA-N 0 0 406.865 5.674 50 0 HKAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4-c4ccccc4)cc3)C(=O)[C@@H]21 ZINC000100955219 559142258 /nfs/dbraw/zinc/14/22/58/559142258.db2.gz KZMHYXGGGZOKJC-FMNCTDSISA-N 0 0 409.485 5.848 50 0 HKAARN c1csc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nc4ccccc4n32)c1 ZINC000100955692 560764664 /nfs/dbraw/zinc/76/46/64/560764664.db2.gz XLMIWIFRJBMEJX-XMMPIXPASA-N 0 0 405.526 6.821 50 0 HKAARN c1csc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nc4ccccc4n32)c1 ZINC000100955697 560764679 /nfs/dbraw/zinc/76/46/79/560764679.db2.gz XLMIWIFRJBMEJX-DEOSSOPVSA-N 0 0 405.526 6.821 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000100956523 559142282 /nfs/dbraw/zinc/14/22/82/559142282.db2.gz PYAGZUSDCHKRLO-FGZHOGPDSA-N 0 0 417.505 5.049 50 0 HKAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](Cc5ccccc5)C4=O)cc3)sc2c1 ZINC000100969969 559142270 /nfs/dbraw/zinc/14/22/70/559142270.db2.gz VIJXDXJPQUBHPM-IBGZPJMESA-N 0 0 412.514 5.394 50 0 HKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100992874 560766054 /nfs/dbraw/zinc/76/60/54/560766054.db2.gz FFRBSYJLJDRHCY-OAQYLSRUSA-N 0 0 415.961 5.677 50 0 HKAARN CCCCCOC(=O)C1=C(C)NC2=CC(=O)CC(C)(C)C2[C@H]1c1ccc(Cl)cc1 ZINC000100992877 560766108 /nfs/dbraw/zinc/76/61/08/560766108.db2.gz FFRBSYJLJDRHCY-NRFANRHFSA-N 0 0 415.961 5.677 50 0 HKAARN COc1cccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1OC1CCCC1 ZINC000101014549 559142743 /nfs/dbraw/zinc/14/27/43/559142743.db2.gz PFUPSMHPJRDROX-KRWDZBQOSA-N 0 0 416.315 5.058 50 0 HKAARN CCN1c2ccc(Br)cc2[C@H](Cc2oc3ccc(F)cc3c2C)C1=O ZINC000101015007 559142750 /nfs/dbraw/zinc/14/27/50/559142750.db2.gz IZLSZTVDXMNEJY-INIZCTEOSA-N 0 0 402.263 5.336 50 0 HKAARN Brc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C2)cc1 ZINC000101070066 560770460 /nfs/dbraw/zinc/77/04/60/560770460.db2.gz NKRIASDAEXTZRX-NRFANRHFSA-N 0 0 402.295 5.855 50 0 HKAARN Brc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C2)cc1 ZINC000101070067 560770451 /nfs/dbraw/zinc/77/04/51/560770451.db2.gz NKRIASDAEXTZRX-OAQYLSRUSA-N 0 0 402.295 5.855 50 0 HKAARN Fc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000101070069 560770469 /nfs/dbraw/zinc/77/04/69/560770469.db2.gz WLDNLBFNZUPFAG-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000101070071 560770440 /nfs/dbraw/zinc/77/04/40/560770440.db2.gz WLDNLBFNZUPFAG-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN Cc1ccsc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000101070072 560770446 /nfs/dbraw/zinc/77/04/46/560770446.db2.gz VFJVEUQZFUWBKY-IBGZPJMESA-N 0 0 422.351 6.225 50 0 HKAARN Cc1ccsc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000101070074 560770478 /nfs/dbraw/zinc/77/04/78/560770478.db2.gz VFJVEUQZFUWBKY-LJQANCHMSA-N 0 0 422.351 6.225 50 0 HKAARN Clc1cccc(Cl)c1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000101070075 560770436 /nfs/dbraw/zinc/77/04/36/560770436.db2.gz SBQTWAIJAVKUNY-HNNXBMFYSA-N 0 0 422.113 5.403 50 0 HKAARN Clc1cccc(Cl)c1[C@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000101070077 560770485 /nfs/dbraw/zinc/77/04/85/560770485.db2.gz SBQTWAIJAVKUNY-OAHLLOKOSA-N 0 0 422.113 5.403 50 0 HKAARN Clc1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c1Cl ZINC000101070105 560770601 /nfs/dbraw/zinc/77/06/01/560770601.db2.gz KGYDYFROXSGTHV-HNNXBMFYSA-N 0 0 422.113 5.403 50 0 HKAARN Clc1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c1Cl ZINC000101070107 560770782 /nfs/dbraw/zinc/77/07/82/560770782.db2.gz KGYDYFROXSGTHV-OAHLLOKOSA-N 0 0 422.113 5.403 50 0 HKAARN Brc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101072006 560770863 /nfs/dbraw/zinc/77/08/63/560770863.db2.gz CHAUUGRGHLDLMQ-PZJWPPBQSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101072008 560770834 /nfs/dbraw/zinc/77/08/34/560770834.db2.gz CHAUUGRGHLDLMQ-TZIWHRDSSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101072009 560770848 /nfs/dbraw/zinc/77/08/48/560770848.db2.gz CHAUUGRGHLDLMQ-FPOVZHCZSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101072010 560770891 /nfs/dbraw/zinc/77/08/91/560770891.db2.gz CHAUUGRGHLDLMQ-CTNGQTDRSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000101073405 560770888 /nfs/dbraw/zinc/77/08/88/560770888.db2.gz CJUVNNNQOLCEKM-CTNGQTDRSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000101073406 560770843 /nfs/dbraw/zinc/77/08/43/560770843.db2.gz CJUVNNNQOLCEKM-TZIWHRDSSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000101073408 560770838 /nfs/dbraw/zinc/77/08/38/560770838.db2.gz CJUVNNNQOLCEKM-FPOVZHCZSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000101073409 560770803 /nfs/dbraw/zinc/77/08/03/560770803.db2.gz CJUVNNNQOLCEKM-PZJWPPBQSA-N 0 0 404.311 5.945 50 0 HKAARN Clc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c(Cl)c1 ZINC000101077465 559143142 /nfs/dbraw/zinc/14/31/42/559143142.db2.gz HAZULESECQWZEK-QFIPXVFZSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c(Cl)c1 ZINC000101077466 559143104 /nfs/dbraw/zinc/14/31/04/559143104.db2.gz HAZULESECQWZEK-JOCHJYFZSA-N 0 0 419.315 6.308 50 0 HKAARN c1csc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000101088067 560775759 /nfs/dbraw/zinc/77/57/59/560775759.db2.gz BYRLTRZMBCPKFW-OAQYLSRUSA-N 0 0 422.517 5.248 50 0 HKAARN c1csc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000101088069 560775754 /nfs/dbraw/zinc/77/57/54/560775754.db2.gz BYRLTRZMBCPKFW-NRFANRHFSA-N 0 0 422.517 5.248 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000101088279 560775746 /nfs/dbraw/zinc/77/57/46/560775746.db2.gz UOVCYLZTIQPEIZ-SFHVURJKSA-N 0 0 423.307 5.135 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000101088280 560775764 /nfs/dbraw/zinc/77/57/64/560775764.db2.gz UOVCYLZTIQPEIZ-GOSISDBHSA-N 0 0 423.307 5.135 50 0 HKAARN Brc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccs3)C2)s1 ZINC000101089840 560776055 /nfs/dbraw/zinc/77/60/55/560776055.db2.gz HQFGGGVVKHTFDP-AWEZNQCLSA-N 0 0 414.353 5.978 50 0 HKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)[C@@H](C)C(=O)N5)cs3)n2)cc1 ZINC000101089850 560775935 /nfs/dbraw/zinc/77/59/35/560775935.db2.gz XXEZSOANZFQUFY-CQSZACIVSA-N 0 0 417.559 5.888 50 0 HKAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc21 ZINC000101090142 560780068 /nfs/dbraw/zinc/78/00/68/560780068.db2.gz ZWTBSLZEHRZFAU-ZDUSSCGKSA-N 0 0 415.474 5.378 50 0 HKAARN c1csc(C2=Nc3ncnn3[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000101090281 560780321 /nfs/dbraw/zinc/78/03/21/560780321.db2.gz KMGCJYFWHFNDQS-NRFANRHFSA-N 0 0 422.517 5.248 50 0 HKAARN c1csc(C2=Nc3ncnn3[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000101090283 560780348 /nfs/dbraw/zinc/78/03/48/560780348.db2.gz KMGCJYFWHFNDQS-OAQYLSRUSA-N 0 0 422.517 5.248 50 0 HKAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CC(C)C)c(=N)c32)cc1 ZINC000101091061 560780521 /nfs/dbraw/zinc/78/05/21/560780521.db2.gz FZRZDRDOZFMAPO-JOCHJYFZSA-N 0 0 411.505 5.466 50 0 HKAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(CC(C)C)c(=N)c32)cc1 ZINC000101091064 560780604 /nfs/dbraw/zinc/78/06/04/560780604.db2.gz FZRZDRDOZFMAPO-QFIPXVFZSA-N 0 0 411.505 5.466 50 0 HKAARN c1nc2n(n1)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC(c1ccccc1)=N2 ZINC000101091184 560780808 /nfs/dbraw/zinc/78/08/08/560780808.db2.gz UDFLCPNMXPJHLA-DEOSSOPVSA-N 0 0 416.488 5.187 50 0 HKAARN c1nc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC(c1ccccc1)=N2 ZINC000101091186 560780900 /nfs/dbraw/zinc/78/09/00/560780900.db2.gz UDFLCPNMXPJHLA-XMMPIXPASA-N 0 0 416.488 5.187 50 0 HKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c(Cl)c1 ZINC000101094160 560784673 /nfs/dbraw/zinc/78/46/73/560784673.db2.gz AESOZTTZYVOFMR-UHFFFAOYSA-N 0 0 411.889 5.753 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101094327 560785138 /nfs/dbraw/zinc/78/51/38/560785138.db2.gz JTSNEVGDTGNADH-UHFFFAOYSA-N 0 0 411.889 5.753 50 0 HKAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccc(Cl)cc1 ZINC000101094531 559143280 /nfs/dbraw/zinc/14/32/80/559143280.db2.gz BUQIDULVXAEIPJ-UHFFFAOYSA-N 0 0 404.853 5.311 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101094822 560785490 /nfs/dbraw/zinc/78/54/90/560785490.db2.gz DIYTWJYCDQTQDK-UHFFFAOYSA-N 0 0 421.497 5.499 50 0 HKAARN CSc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000101095107 560785503 /nfs/dbraw/zinc/78/55/03/560785503.db2.gz XMQAEJHUIOJVMS-UHFFFAOYSA-N 0 0 409.511 5.513 50 0 HKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(Br)cc1 ZINC000101095176 560785529 /nfs/dbraw/zinc/78/55/29/560785529.db2.gz ZAXAMJGBZGQAHK-UHFFFAOYSA-N 0 0 416.275 5.021 50 0 HKAARN CC(=O)c1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000101095463 560785534 /nfs/dbraw/zinc/78/55/34/560785534.db2.gz GLDFBHWJPHXIJE-UHFFFAOYSA-N 0 0 419.481 5.384 50 0 HKAARN CCc1ccccc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101095464 560785498 /nfs/dbraw/zinc/78/54/98/560785498.db2.gz HLSORSACKGLDTB-UHFFFAOYSA-N 0 0 405.498 5.744 50 0 HKAARN CCCOc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101095477 559143304 /nfs/dbraw/zinc/14/33/04/559143304.db2.gz LIWPEJRDWFPWKS-UHFFFAOYSA-N 0 0 406.482 5.189 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101095614 559143249 /nfs/dbraw/zinc/14/32/49/559143249.db2.gz OUPDXQBYNCJKSM-UHFFFAOYSA-N 0 0 404.510 5.697 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101095880 560785521 /nfs/dbraw/zinc/78/55/21/560785521.db2.gz RPQOUXHXQNJJJS-UHFFFAOYSA-N 0 0 411.889 5.753 50 0 HKAARN CC(C)(C)c1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101096016 560785527 /nfs/dbraw/zinc/78/55/27/560785527.db2.gz YYKTZRBQJLRYQA-UHFFFAOYSA-N 0 0 418.537 6.087 50 0 HKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1Br ZINC000101096107 560785530 /nfs/dbraw/zinc/78/55/30/560785530.db2.gz QURRFAZPIQRTOI-UHFFFAOYSA-N 0 0 416.275 5.021 50 0 HKAARN CCCOc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101096627 560851140 /nfs/dbraw/zinc/85/11/40/560851140.db2.gz UONQTEHPNAMNCW-UHFFFAOYSA-N 0 0 420.509 5.579 50 0 HKAARN Fc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=Nc2nc3ccccc3n21 ZINC000101100310 560786084 /nfs/dbraw/zinc/78/60/84/560786084.db2.gz PMHGNAPKDXXCTO-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1ccccc1[C@H]1CC(c2cccc(Br)c2)=Nc2nc3ccccc3n21 ZINC000101100311 560786112 /nfs/dbraw/zinc/78/61/12/560786112.db2.gz PMHGNAPKDXXCTO-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN Brc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000101100943 560786122 /nfs/dbraw/zinc/78/61/22/560786122.db2.gz LMDDGDLLILQVSQ-PZJWPPBQSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000101100945 560786067 /nfs/dbraw/zinc/78/60/67/560786067.db2.gz LMDDGDLLILQVSQ-TZIWHRDSSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000101100947 560786108 /nfs/dbraw/zinc/78/61/08/560786108.db2.gz LMDDGDLLILQVSQ-FPOVZHCZSA-N 0 0 404.311 5.945 50 0 HKAARN Brc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000101100948 560786071 /nfs/dbraw/zinc/78/60/71/560786071.db2.gz LMDDGDLLILQVSQ-CTNGQTDRSA-N 0 0 404.311 5.945 50 0 HKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(Br)c1 ZINC000101104684 560786091 /nfs/dbraw/zinc/78/60/91/560786091.db2.gz XCNIQAQECATVHC-UHFFFAOYSA-N 0 0 412.312 5.339 50 0 HKAARN N=c1c2c(ncn1Cc1ccco1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000101105733 560786082 /nfs/dbraw/zinc/78/60/82/560786082.db2.gz LKXYHGQRIWQASP-JOCHJYFZSA-N 0 0 405.457 5.443 50 0 aggregator HKAARN N=c1c2c(ncn1Cc1ccco1)Oc1c3ccccc3ccc1[C@@H]2c1ccccc1 ZINC000101105736 560786093 /nfs/dbraw/zinc/78/60/93/560786093.db2.gz LKXYHGQRIWQASP-QFIPXVFZSA-N 0 0 405.457 5.443 50 0 aggregator HKAARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1 ZINC000101109061 560786136 /nfs/dbraw/zinc/78/61/36/560786136.db2.gz FSWOIRXYLOOYNF-JOCHJYFZSA-N 0 0 411.505 5.466 50 0 HKAARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1 ZINC000101109067 560786147 /nfs/dbraw/zinc/78/61/47/560786147.db2.gz FSWOIRXYLOOYNF-QFIPXVFZSA-N 0 0 411.505 5.466 50 0 HKAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101112780 560786707 /nfs/dbraw/zinc/78/67/07/560786707.db2.gz LTJXNVQHSSQILX-QHCPKHFHSA-N 0 0 414.896 5.567 50 0 HKAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101112783 560786673 /nfs/dbraw/zinc/78/66/73/560786673.db2.gz LTJXNVQHSSQILX-HSZRJFAPSA-N 0 0 414.896 5.567 50 0 HKAARN CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101114610 569008148 /nfs/dbraw/zinc/00/81/48/569008148.db2.gz WSQCTQFTERXMRY-USXZWKKNSA-N 0 0 423.512 5.328 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101114620 559143434 /nfs/dbraw/zinc/14/34/34/559143434.db2.gz JTDNFYAOHPSUBJ-UCDDGIFISA-N 0 0 411.476 5.064 50 0 HKAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000101115119 560851142 /nfs/dbraw/zinc/85/11/42/560851142.db2.gz QVHCBIHNSPQTPJ-XDZVQPMWSA-N 0 0 423.512 5.328 50 0 HKAARN CCOC(=O)C=C(C)Nc1ccc(Oc2ccc(NC(C)=CC(=O)OCC)cc2)cc1 ZINC000101116556 559143393 /nfs/dbraw/zinc/14/33/93/559143393.db2.gz LPTMNIKIBXWJJH-YTEMWHBBSA-N 0 0 424.497 5.237 50 0 HKAARN CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1ccc3ccccc3c1O2 ZINC000101121747 560788122 /nfs/dbraw/zinc/78/81/22/560788122.db2.gz WNOYCLKGHAVKIU-JOCHJYFZSA-N 0 0 411.505 5.610 50 0 HKAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1ccc3ccccc3c1O2 ZINC000101121750 560788117 /nfs/dbraw/zinc/78/81/17/560788117.db2.gz WNOYCLKGHAVKIU-QFIPXVFZSA-N 0 0 411.505 5.610 50 0 HKAARN CC(=O)O[C@@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000101125870 559143415 /nfs/dbraw/zinc/14/34/15/559143415.db2.gz KREGYMYHIDTTHK-OFRNAZOASA-N 0 0 424.669 7.262 50 0 HKAARN COc1ccc(-c2c(C)s/c(=N/C(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000101127430 559143413 /nfs/dbraw/zinc/14/34/13/559143413.db2.gz JWWAEUKNOLDLAS-OCOZRVBESA-N 0 0 400.503 5.264 50 0 HKAARN Cc1cc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c(C)c1 ZINC000101127787 560788294 /nfs/dbraw/zinc/78/82/94/560788294.db2.gz DFQXSXPRPJMBGK-XDZVQPMWSA-N 0 0 421.540 5.855 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000101127984 560788296 /nfs/dbraw/zinc/78/82/96/560788296.db2.gz BHUCPUICLANGDI-XMMPIXPASA-N 0 0 415.496 5.850 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1c3ccccc3ccc1[C@@H]2c1ccccc1 ZINC000101127988 560788315 /nfs/dbraw/zinc/78/83/15/560788315.db2.gz BHUCPUICLANGDI-DEOSSOPVSA-N 0 0 415.496 5.850 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 ZINC000101133499 569359190 /nfs/dbraw/zinc/35/91/90/569359190.db2.gz YPMQXOFDCXSPCT-OFIGANFSSA-N 0 0 408.582 6.552 50 0 HKAARN CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1c(ccc3ccccc31)O2 ZINC000101141214 560788409 /nfs/dbraw/zinc/78/84/09/560788409.db2.gz ACKZCVGEDJSVCU-JOCHJYFZSA-N 0 0 411.505 5.610 50 0 HKAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1c(ccc3ccccc31)O2 ZINC000101141220 560788440 /nfs/dbraw/zinc/78/84/40/560788440.db2.gz ACKZCVGEDJSVCU-QFIPXVFZSA-N 0 0 411.505 5.610 50 0 HKAARN CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc(C)c(C)c2)cc1 ZINC000101148071 560851132 /nfs/dbraw/zinc/85/11/32/560851132.db2.gz GDHDZFPTFOCNOS-UHFFFAOYSA-N 0 0 416.546 5.990 50 0 HKAARN O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000101150409 560787074 /nfs/dbraw/zinc/78/70/74/560787074.db2.gz XEGWPHFMPASJSA-HRQSHJORSA-N 0 0 406.957 6.193 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000101151206 560787051 /nfs/dbraw/zinc/78/70/51/560787051.db2.gz ZBLKNQLSZJKDKI-XMMPIXPASA-N 0 0 415.496 5.850 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000101151208 560786990 /nfs/dbraw/zinc/78/69/90/560786990.db2.gz ZBLKNQLSZJKDKI-DEOSSOPVSA-N 0 0 415.496 5.850 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 ZINC000101154758 560537996 /nfs/dbraw/zinc/53/79/96/560537996.db2.gz OITZGPRIRGBLFZ-PXNSSMCTSA-N 0 0 411.324 5.753 50 0 HKAARN C/C(=C\c1nsc(Nc2ccc(Cl)c(Cl)c2)n1)NC1CCCCCCC1 ZINC000101155686 559143619 /nfs/dbraw/zinc/14/36/19/559143619.db2.gz QXSAKXYSIWMMPC-ACCUITESSA-N 0 0 411.402 6.652 50 0 HKAARN Cc1ccc(Nc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101165804 560787311 /nfs/dbraw/zinc/78/73/11/560787311.db2.gz OUXIYVRRLLPMFW-UHFFFAOYSA-N 0 0 406.482 5.567 50 0 HKAARN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3Cc2ccccc2)cc1 ZINC000101168012 560787557 /nfs/dbraw/zinc/78/75/57/560787557.db2.gz MPWDRBWXUSGTIY-HSZRJFAPSA-N 0 0 408.505 5.263 50 0 HKAARN CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3Cc2ccccc2)cc1 ZINC000101168015 560787522 /nfs/dbraw/zinc/78/75/22/560787522.db2.gz MPWDRBWXUSGTIY-QHCPKHFHSA-N 0 0 408.505 5.263 50 0 HKAARN CCCSc1ccccc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173568 559143798 /nfs/dbraw/zinc/14/37/98/559143798.db2.gz DDGHTWIPAWZEQI-DEOSSOPVSA-N 0 0 402.563 5.714 50 0 HKAARN CC(C)Sc1ccccc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173633 559143800 /nfs/dbraw/zinc/14/38/00/559143800.db2.gz MBZNOZPDFFANOU-DEOSSOPVSA-N 0 0 402.563 5.713 50 0 HKAARN COc1ccc(-c2c(NC(=O)c3cccs3)oc3c(C)cccc3c2=O)cc1OC ZINC000101192245 560789173 /nfs/dbraw/zinc/78/91/73/560789173.db2.gz GULNKRPVYPSXHF-UHFFFAOYSA-N 0 0 421.474 5.099 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccc(Cl)cc2)c1=O ZINC000101192633 560789205 /nfs/dbraw/zinc/78/92/05/560789205.db2.gz QIEZSWRKQPBOJP-UHFFFAOYSA-N 0 0 421.909 5.175 50 0 HKAARN COc1ccc(-c2c/c(=N\c3cc(OC)ccc3OC)c3cc(C)ccc3o2)cc1 ZINC000101218119 560790180 /nfs/dbraw/zinc/79/01/80/560790180.db2.gz DPLGUVYXXRYVER-YYADALCUSA-N 0 0 401.462 5.666 50 0 HKAARN Clc1cccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1Cl ZINC000101218827 560790175 /nfs/dbraw/zinc/79/01/75/560790175.db2.gz CRGBJHTXYCIWIN-OAQYLSRUSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1cccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1Cl ZINC000101218832 560790199 /nfs/dbraw/zinc/79/01/99/560790199.db2.gz CRGBJHTXYCIWIN-NRFANRHFSA-N 0 0 419.315 6.308 50 0 HKAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000101218847 568454671 /nfs/dbraw/zinc/45/46/71/568454671.db2.gz AAKYOPXWNBSLNR-CTNGQTDRSA-N 0 0 403.457 5.339 50 0 HKAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000101218852 568454708 /nfs/dbraw/zinc/45/47/08/568454708.db2.gz AAKYOPXWNBSLNR-TZIWHRDSSA-N 0 0 403.457 5.339 50 0 HKAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000101218856 560790196 /nfs/dbraw/zinc/79/01/96/560790196.db2.gz AAKYOPXWNBSLNR-FPOVZHCZSA-N 0 0 403.457 5.339 50 0 HKAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC ZINC000101218862 560790178 /nfs/dbraw/zinc/79/01/78/560790178.db2.gz AAKYOPXWNBSLNR-PZJWPPBQSA-N 0 0 403.457 5.339 50 0 HKAARN Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 ZINC000101221774 560790187 /nfs/dbraw/zinc/79/01/87/560790187.db2.gz VXEUSHOSSVPFLF-IRLDBZIGSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1cccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 ZINC000101221778 560790201 /nfs/dbraw/zinc/79/02/01/560790201.db2.gz VXEUSHOSSVPFLF-IFMALSPDSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 ZINC000101221782 560790207 /nfs/dbraw/zinc/79/02/07/560790207.db2.gz VXEUSHOSSVPFLF-UNMCSNQZSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 ZINC000101221788 560790204 /nfs/dbraw/zinc/79/02/04/560790204.db2.gz VXEUSHOSSVPFLF-RBBKRZOGSA-N 0 0 408.332 6.798 50 0 HKAARN Clc1cccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c1Cl ZINC000101227979 560789235 /nfs/dbraw/zinc/78/92/35/560789235.db2.gz ZDQNXTXWNMDNMR-HXUWFJFHSA-N 0 0 420.303 5.703 50 0 HKAARN Clc1cccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c1Cl ZINC000101227982 560789254 /nfs/dbraw/zinc/78/92/54/560789254.db2.gz ZDQNXTXWNMDNMR-FQEVSTJZSA-N 0 0 420.303 5.703 50 0 HKAARN Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 ZINC000101229538 560789274 /nfs/dbraw/zinc/78/92/74/560789274.db2.gz XRNWJIKSICSIKP-IRLDBZIGSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 ZINC000101229541 568502331 /nfs/dbraw/zinc/50/23/31/568502331.db2.gz XRNWJIKSICSIKP-IFMALSPDSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 ZINC000101229544 560789251 /nfs/dbraw/zinc/78/92/51/560789251.db2.gz XRNWJIKSICSIKP-UNMCSNQZSA-N 0 0 408.332 6.798 50 0 HKAARN Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 ZINC000101229547 560789229 /nfs/dbraw/zinc/78/92/29/560789229.db2.gz XRNWJIKSICSIKP-RBBKRZOGSA-N 0 0 408.332 6.798 50 0 HKAARN Fc1cccc(Cl)c1[C@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101232688 560789461 /nfs/dbraw/zinc/78/94/61/560789461.db2.gz OJNQXUVFHNAVIT-OAQYLSRUSA-N 0 0 402.860 5.794 50 0 HKAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101232689 568505343 /nfs/dbraw/zinc/50/53/43/568505343.db2.gz OJNQXUVFHNAVIT-NRFANRHFSA-N 0 0 402.860 5.794 50 0 HKAARN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1OC ZINC000101240248 560789565 /nfs/dbraw/zinc/78/95/65/560789565.db2.gz RXEHQBJMEREHMZ-QFIPXVFZSA-N 0 0 410.477 5.018 50 0 HKAARN COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1OC ZINC000101240249 560789556 /nfs/dbraw/zinc/78/95/56/560789556.db2.gz RXEHQBJMEREHMZ-JOCHJYFZSA-N 0 0 410.477 5.018 50 0 HKAARN Clc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c(Cl)c1 ZINC000101242571 560789573 /nfs/dbraw/zinc/78/95/73/560789573.db2.gz JONVESGJJHQOLX-OAQYLSRUSA-N 0 0 420.303 5.703 50 0 HKAARN Clc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3nnnn32)c(Cl)c1 ZINC000101242578 560789564 /nfs/dbraw/zinc/78/95/64/560789564.db2.gz JONVESGJJHQOLX-NRFANRHFSA-N 0 0 420.303 5.703 50 0 HKAARN Clc1cccc(Cl)c1[C@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101254044 560789658 /nfs/dbraw/zinc/78/96/58/560789658.db2.gz WJANOBVMXDROPG-OAQYLSRUSA-N 0 0 419.315 6.308 50 0 HKAARN Clc1cccc(Cl)c1[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101254048 560789649 /nfs/dbraw/zinc/78/96/49/560789649.db2.gz WJANOBVMXDROPG-NRFANRHFSA-N 0 0 419.315 6.308 50 0 HKAARN Cc1cc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc(C)c1Br ZINC000101257681 559144223 /nfs/dbraw/zinc/14/42/23/559144223.db2.gz CHHCHFDZBHHLJO-UHOSZYNNSA-N 0 0 412.327 5.139 50 0 HKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1=O ZINC000101266606 560790839 /nfs/dbraw/zinc/79/08/39/560790839.db2.gz GRJOCCDNTFGEEW-UHFFFAOYSA-N 0 0 415.880 5.114 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000101268561 560790847 /nfs/dbraw/zinc/79/08/47/560790847.db2.gz WARCHNXBEVFXCH-KDYSTLNUSA-N 0 0 423.516 5.960 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000101268562 560790834 /nfs/dbraw/zinc/79/08/34/560790834.db2.gz WARCHNXBEVFXCH-JIPXPUAJSA-N 0 0 423.516 5.960 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000101268563 560790897 /nfs/dbraw/zinc/79/08/97/560790897.db2.gz WARCHNXBEVFXCH-IDISGSTGSA-N 0 0 423.516 5.960 50 0 HKAARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000101268564 560790874 /nfs/dbraw/zinc/79/08/74/560790874.db2.gz WARCHNXBEVFXCH-ZBLYBZFDSA-N 0 0 423.516 5.960 50 0 HKAARN Cc1c(-c2cc(Cl)ccc2Cl)sc2nc3sc4c(c3c(=N)n12)CCCC4 ZINC000101278352 560790427 /nfs/dbraw/zinc/79/04/27/560790427.db2.gz WYCFPMVFBVXNGH-UHFFFAOYSA-N 0 0 420.390 6.251 50 0 HKAARN Cc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101289022 560790721 /nfs/dbraw/zinc/79/07/21/560790721.db2.gz TWJDPUXRXKXLFW-QHCPKHFHSA-N 0 0 412.924 6.271 50 0 aggregator HKAARN Cc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101289024 560790711 /nfs/dbraw/zinc/79/07/11/560790711.db2.gz TWJDPUXRXKXLFW-HSZRJFAPSA-N 0 0 412.924 6.271 50 0 aggregator HKAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000101302575 560791269 /nfs/dbraw/zinc/79/12/69/560791269.db2.gz PXZBXUACWJKEFM-AUSIDOKSSA-N 0 0 412.917 5.177 50 0 HKAARN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c(-c2ccccc2)c1=O ZINC000101308876 560791363 /nfs/dbraw/zinc/79/13/63/560791363.db2.gz WYFAJHMXLYFHQG-UHFFFAOYSA-N 0 0 415.880 5.114 50 0 HKAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1 ZINC000101325160 560791799 /nfs/dbraw/zinc/79/17/99/560791799.db2.gz GZCGXCBVINXAFO-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 HKAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)cc1OC ZINC000101327638 560791802 /nfs/dbraw/zinc/79/18/02/560791802.db2.gz RIWNHGANOANGAU-UHFFFAOYSA-N 0 0 415.445 5.038 50 0 HKAARN Cc1ccc(S[C@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)cc1 ZINC000101338053 559146502 /nfs/dbraw/zinc/14/65/02/559146502.db2.gz PAOTYCVTPMADLF-NRFANRHFSA-N 0 0 414.486 5.227 50 0 HKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccccc1 ZINC000101342027 560793104 /nfs/dbraw/zinc/79/31/04/560793104.db2.gz JWQCGOKMVUXGNT-UHFFFAOYSA-N 0 0 419.820 5.094 50 0 HKAARN O=C1C[C@@H](SCc2ccccc2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000101345763 559146513 /nfs/dbraw/zinc/14/65/13/559146513.db2.gz CPOVCYWMPRPQJT-OAQYLSRUSA-N 0 0 414.486 5.060 50 0 HKAARN COc1ccc(/C=C\C2=Nc3ccccc3N=C(/C=C\c3ccc(OC)cc3)C2)cc1 ZINC000101347525 560793269 /nfs/dbraw/zinc/79/32/69/560793269.db2.gz WMRUTLDUZFWNCD-PVRNWPCDSA-N 0 0 408.501 6.679 50 0 HKAARN COc1ccc(/C=C/C2=Nc3ccccc3N=C(/C=C\c3ccc(OC)cc3)C2)cc1 ZINC000101347528 560793255 /nfs/dbraw/zinc/79/32/55/560793255.db2.gz WMRUTLDUZFWNCD-MFUUIURDSA-N 0 0 408.501 6.679 50 0 HKAARN COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccccc3c2=O)c1 ZINC000101347740 560793244 /nfs/dbraw/zinc/79/32/44/560793244.db2.gz BLQOMTYHBROSTN-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 HKAARN CCOc1ccc([C@@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000101353641 560792189 /nfs/dbraw/zinc/79/21/89/560792189.db2.gz AKOJRGZZRGTZEO-FQEVSTJZSA-N 0 0 403.507 5.561 50 0 HKAARN CCOc1ccc([C@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000101353642 560792177 /nfs/dbraw/zinc/79/21/77/560792177.db2.gz AKOJRGZZRGTZEO-HXUWFJFHSA-N 0 0 403.507 5.561 50 0 HKAARN CC(C)c1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354157 560792248 /nfs/dbraw/zinc/79/22/48/560792248.db2.gz KYZFGYIVSPJVDE-UHFFFAOYSA-N 0 0 411.505 5.306 50 0 HKAARN Cc1cccc(Cl)c1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354167 560792291 /nfs/dbraw/zinc/79/22/91/560792291.db2.gz NFCWQIMCXNDGQU-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN CC(C)c1cccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1 ZINC000101354172 560792257 /nfs/dbraw/zinc/79/22/57/560792257.db2.gz GIIRAYJCDGXXRF-UHFFFAOYSA-N 0 0 411.505 5.306 50 0 HKAARN CCc1cccc(C)c1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354197 560792266 /nfs/dbraw/zinc/79/22/66/560792266.db2.gz UONDILKDICCBET-UHFFFAOYSA-N 0 0 411.505 5.054 50 0 HKAARN COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)c1 ZINC000101355380 560792410 /nfs/dbraw/zinc/79/24/10/560792410.db2.gz SRSDKNZJGCPMPI-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 HKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000101357092 560792428 /nfs/dbraw/zinc/79/24/28/560792428.db2.gz ICSFZVCXYPMKGV-UHFFFAOYSA-N 0 0 419.433 5.049 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 ZINC000101358915 560792408 /nfs/dbraw/zinc/79/24/08/560792408.db2.gz VDGOHEFECBCGHA-OAQYLSRUSA-N 0 0 415.880 5.056 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@@H]2c1ccc(Cl)cc1 ZINC000101358918 560792400 /nfs/dbraw/zinc/79/24/00/560792400.db2.gz VDGOHEFECBCGHA-NRFANRHFSA-N 0 0 415.880 5.056 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@H]2c1ccccc1Cl ZINC000101362651 559146667 /nfs/dbraw/zinc/14/66/67/559146667.db2.gz HZAWMLFAFGMAEU-OAQYLSRUSA-N 0 0 415.880 5.056 50 0 HKAARN N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@@H]2c1ccccc1Cl ZINC000101362652 559146670 /nfs/dbraw/zinc/14/66/70/559146670.db2.gz HZAWMLFAFGMAEU-NRFANRHFSA-N 0 0 415.880 5.056 50 0 HKAARN COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)sc3ccccc3c2=O)cc1 ZINC000101363368 560792784 /nfs/dbraw/zinc/79/27/84/560792784.db2.gz YPLMVNHEAGASNL-UHFFFAOYSA-N 0 0 417.486 5.198 50 0 HKAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 ZINC000101363984 560792763 /nfs/dbraw/zinc/79/27/63/560792763.db2.gz JCKKETRTEJRKBI-UHFFFAOYSA-N 0 0 410.223 5.068 50 0 HKAARN O=C(Nc1cccc(Cl)c1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000101368242 560792799 /nfs/dbraw/zinc/79/27/99/560792799.db2.gz ZXEPEQCONJPNPQ-UHFFFAOYSA-N 0 0 419.868 5.703 50 0 HKAARN COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)c1 ZINC000101375366 560793486 /nfs/dbraw/zinc/79/34/86/560793486.db2.gz AJFHLMTYFCDAJK-UHFFFAOYSA-N 0 0 405.837 5.374 50 0 HKAARN c1[nH]c2ccccc2c1CCn1c(-c2ccccc2)cs/c1=N/C1CCCCC1 ZINC000101379463 560793671 /nfs/dbraw/zinc/79/36/71/560793671.db2.gz LHOZISAKCYWVLG-IMVLJIQESA-N 0 0 401.579 6.174 50 0 HKAARN Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 ZINC000101379464 560793643 /nfs/dbraw/zinc/79/36/43/560793643.db2.gz JVIIZNIWYSEFAR-BYCLXTJYSA-N 0 0 415.606 6.482 50 0 HKAARN c1[nH]c2ccccc2c1CCn1c(-c2ccccc2)cs/c1=N/Cc1ccccc1 ZINC000101379469 560793684 /nfs/dbraw/zinc/79/36/84/560793684.db2.gz VRQBVJWUQZYALU-BYCLXTJYSA-N 0 0 409.558 6.042 50 0 HKAARN Cc1ccc(/N=c2/scc(-c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 ZINC000101379473 560793701 /nfs/dbraw/zinc/79/37/01/560793701.db2.gz WQRVLOFWSHBZIF-BYCLXTJYSA-N 0 0 409.558 6.481 50 0 HKAARN Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 ZINC000101379494 560793699 /nfs/dbraw/zinc/79/36/99/560793699.db2.gz CFBQCVWRMCUEMO-BYCLXTJYSA-N 0 0 409.558 6.481 50 0 HKAARN Fc1ccc2c(CCn3c(-c4ccccc4)cs/c3=N\c3ccccc3)c[nH]c2c1 ZINC000101379495 560793691 /nfs/dbraw/zinc/79/36/91/560793691.db2.gz JUBDXVCWZXYZLM-FVDSYPCUSA-N 0 0 413.521 6.312 50 0 HKAARN COc1ccc(-c2csc(-n3nc(/C=C/c4ccco4)cc3C(F)(F)F)n2)cc1 ZINC000101385676 560793918 /nfs/dbraw/zinc/79/39/18/560793918.db2.gz WRGPQFKGYUWHEA-RMKNXTFCSA-N 0 0 417.412 5.787 50 0 HKAARN Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000101423617 560794224 /nfs/dbraw/zinc/79/42/24/560794224.db2.gz TYVNOGWNXRMZFN-HHHXNRCGSA-N 0 0 405.522 7.399 50 0 HKAARN Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000101423618 560794198 /nfs/dbraw/zinc/79/41/98/560794198.db2.gz TYVNOGWNXRMZFN-MHZLTWQESA-N 0 0 405.522 7.399 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3Br)C12 ZINC000101424399 560794194 /nfs/dbraw/zinc/79/41/94/560794194.db2.gz PSQBLSGMBTXZHU-JOCHJYFZSA-N 0 0 420.331 6.700 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3Br)C12 ZINC000101424404 560794204 /nfs/dbraw/zinc/79/42/04/560794204.db2.gz PSQBLSGMBTXZHU-QFIPXVFZSA-N 0 0 420.331 6.700 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000101424505 560794206 /nfs/dbraw/zinc/79/42/06/560794206.db2.gz BUEOJDXJNGCNTA-MUUNZHRXSA-N 0 0 417.533 7.604 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000101424507 560794190 /nfs/dbraw/zinc/79/41/90/560794190.db2.gz BUEOJDXJNGCNTA-NDEPHWFRSA-N 0 0 417.533 7.604 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000101424606 560794185 /nfs/dbraw/zinc/79/41/85/560794185.db2.gz XWRMPKFONJFXAD-JOCHJYFZSA-N 0 0 410.325 7.244 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000101424610 560794197 /nfs/dbraw/zinc/79/41/97/560794197.db2.gz XWRMPKFONJFXAD-QFIPXVFZSA-N 0 0 410.325 7.244 50 0 HKAARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1 ZINC000101429133 560794178 /nfs/dbraw/zinc/79/41/78/560794178.db2.gz ZFWDVHRNGSVESR-XMMPIXPASA-N 0 0 401.487 5.954 50 0 HKAARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1 ZINC000101429136 560794209 /nfs/dbraw/zinc/79/42/09/560794209.db2.gz ZFWDVHRNGSVESR-DEOSSOPVSA-N 0 0 401.487 5.954 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000101429185 560794188 /nfs/dbraw/zinc/79/41/88/560794188.db2.gz IHGOVCRMIFQTDD-JOCHJYFZSA-N 0 0 409.432 6.956 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000101429186 560794235 /nfs/dbraw/zinc/79/42/35/560794235.db2.gz IHGOVCRMIFQTDD-QFIPXVFZSA-N 0 0 409.432 6.956 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000101429196 560794217 /nfs/dbraw/zinc/79/42/17/560794217.db2.gz QHHDGIYLAPYUMT-JOCHJYFZSA-N 0 0 410.325 7.244 50 0 HKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000101429200 560794364 /nfs/dbraw/zinc/79/43/64/560794364.db2.gz QHHDGIYLAPYUMT-QFIPXVFZSA-N 0 0 410.325 7.244 50 0 HKAARN CCOc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1O ZINC000101429272 560794365 /nfs/dbraw/zinc/79/43/65/560794365.db2.gz JNFUTCYFEBEHCO-XMMPIXPASA-N 0 0 401.487 6.041 50 0 HKAARN CCOc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1O ZINC000101429275 560794390 /nfs/dbraw/zinc/79/43/90/560794390.db2.gz JNFUTCYFEBEHCO-DEOSSOPVSA-N 0 0 401.487 6.041 50 0 HKAARN Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCC(C(C)(C)C)CC2)cc1 ZINC000101459272 560794914 /nfs/dbraw/zinc/79/49/14/560794914.db2.gz CSKOQKHBHSYWQF-UHFFFAOYSA-N 0 0 414.553 5.595 50 0 HKAARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101478014 560795831 /nfs/dbraw/zinc/79/58/31/560795831.db2.gz LVTLUGDKDITAIH-DEOSSOPVSA-N 0 0 416.521 5.898 50 0 HKAARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000101478015 560795862 /nfs/dbraw/zinc/79/58/62/560795862.db2.gz LVTLUGDKDITAIH-XMMPIXPASA-N 0 0 416.521 5.898 50 0 HKAARN O=C1Nc2ccc(Cl)cc2[C@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 ZINC000101493971 559147083 /nfs/dbraw/zinc/14/70/83/559147083.db2.gz VWJZAFXHIVKUEH-JOCHJYFZSA-N 0 0 408.885 5.885 50 0 HKAARN O=C1Nc2ccc(Cl)cc2[C@@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 ZINC000101493974 559147065 /nfs/dbraw/zinc/14/70/65/559147065.db2.gz VWJZAFXHIVKUEH-QFIPXVFZSA-N 0 0 408.885 5.885 50 0 HKAARN O=C1Nc2ccccc2[C@@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 ZINC000101493979 559147173 /nfs/dbraw/zinc/14/71/73/559147173.db2.gz RPGXVYFOABIXFE-QFIPXVFZSA-N 0 0 408.885 5.885 50 0 HKAARN O=C1Nc2ccccc2[C@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 ZINC000101493981 559147180 /nfs/dbraw/zinc/14/71/80/559147180.db2.gz RPGXVYFOABIXFE-JOCHJYFZSA-N 0 0 408.885 5.885 50 0 HKAARN CC(=O)Nc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000101503883 560796607 /nfs/dbraw/zinc/79/66/07/560796607.db2.gz NZTONTBTEMXVCG-UHFFFAOYSA-N 0 0 424.913 5.188 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1cccs1)O2 ZINC000101509481 559147177 /nfs/dbraw/zinc/14/71/77/559147177.db2.gz YQWFXWDKBISWTO-URXFXBBRSA-N 0 0 416.933 6.797 50 0 HKAARN CCOc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1OC ZINC000101514338 560796896 /nfs/dbraw/zinc/79/68/96/560796896.db2.gz JWNOKWHUAWTYIG-QHCPKHFHSA-N 0 0 424.504 5.408 50 0 HKAARN CCOc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1OC ZINC000101514339 560796918 /nfs/dbraw/zinc/79/69/18/560796918.db2.gz JWNOKWHUAWTYIG-HSZRJFAPSA-N 0 0 424.504 5.408 50 0 HKAARN C[C@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc43)OC(=O)[C@]21C(=O)c1ccco1 ZINC000101534185 559147318 /nfs/dbraw/zinc/14/73/18/559147318.db2.gz GSVOTNZTSXDSKF-GDKKVTFASA-N 0 0 422.436 5.208 50 0 HKAARN CC(=O)Nc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 ZINC000101534708 560797049 /nfs/dbraw/zinc/79/70/49/560797049.db2.gz KQIGAXCFHDCWQY-UHFFFAOYSA-N 0 0 424.913 5.188 50 0 HKAARN C[C@@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000101537346 560797042 /nfs/dbraw/zinc/79/70/42/560797042.db2.gz CRGQFPWXDKUFPX-KRWDZBQOSA-N 0 0 406.457 5.612 50 0 HKAARN Cc1ccc(Nc2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101555428 560797130 /nfs/dbraw/zinc/79/71/30/560797130.db2.gz VWTNUDBQGLQFHG-UHFFFAOYSA-N 0 0 422.937 6.081 50 0 HKAARN COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Nc2ccc(C)cc2)cc1 ZINC000101555439 560797128 /nfs/dbraw/zinc/79/71/28/560797128.db2.gz QOVMJPLHAPHKMZ-UHFFFAOYSA-N 0 0 422.481 5.267 50 0 HKAARN CC(=O)Oc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000101597381 560797283 /nfs/dbraw/zinc/79/72/83/560797283.db2.gz GNJZNASHLTUSAU-DEOSSOPVSA-N 0 0 418.493 5.424 50 0 HKAARN CC(=O)Oc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000101597386 560797225 /nfs/dbraw/zinc/79/72/25/560797225.db2.gz GNJZNASHLTUSAU-XMMPIXPASA-N 0 0 418.493 5.424 50 0 HKAARN COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000101624169 560797706 /nfs/dbraw/zinc/79/77/06/560797706.db2.gz NOPNTKBBQXQAPO-MRXNPFEDSA-N 0 0 415.276 5.168 50 0 HKAARN CC(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000101629800 569050205 /nfs/dbraw/zinc/05/02/05/569050205.db2.gz OGNYHNLSQYGMPY-BUVRLJJBSA-N 0 0 410.473 5.146 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21 ZINC000101637034 560556297 /nfs/dbraw/zinc/55/62/97/560556297.db2.gz DKJZTZCRPBGKCN-HNBVOPMISA-N 0 0 402.538 5.549 50 0 HKAARN COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000101637041 559147478 /nfs/dbraw/zinc/14/74/78/559147478.db2.gz DKJZTZCRPBGKCN-PIKOESSRSA-N 0 0 402.538 5.549 50 0 HKAARN COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2Cl)c1[C@H]1C(=O)Nc2ccccc21 ZINC000101638649 560797500 /nfs/dbraw/zinc/79/75/00/560797500.db2.gz YEUGZFGNLDLMFX-KRWDZBQOSA-N 0 0 415.276 5.168 50 0 HKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101642219 560797589 /nfs/dbraw/zinc/79/75/89/560797589.db2.gz OUZHDVSWCTVUDX-JOCHJYFZSA-N 0 0 403.888 6.447 50 0 aggregator HKAARN CCc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101642225 560797603 /nfs/dbraw/zinc/79/76/03/560797603.db2.gz OUZHDVSWCTVUDX-QFIPXVFZSA-N 0 0 403.888 6.447 50 0 aggregator HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000101642230 560797614 /nfs/dbraw/zinc/79/76/14/560797614.db2.gz CSARALOZVJXCNR-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000101642234 560797644 /nfs/dbraw/zinc/79/76/44/560797644.db2.gz CSARALOZVJXCNR-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN Cc1ccccc1[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)[NH+]=C2c3ccccc3C(=O)C21 ZINC000101642955 560797640 /nfs/dbraw/zinc/79/76/40/560797640.db2.gz SCRQQRSKVQSOIV-FQEVSTJZSA-N 0 0 405.457 5.435 50 0 aggregator HKAARN Cc1ccccc1[C@H]1c2c([n-]n(-c3ccccc3)c2=O)[NH+]=C2c3ccccc3C(=O)C21 ZINC000101642958 560797595 /nfs/dbraw/zinc/79/75/95/560797595.db2.gz SCRQQRSKVQSOIV-HXUWFJFHSA-N 0 0 405.457 5.435 50 0 aggregator HKAARN CN1C(=O)C(C(=O)C=Cc2ccc(Cl)cc2)[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 ZINC000101645077 560852215 /nfs/dbraw/zinc/85/22/15/560852215.db2.gz GPAVDNTZJUBJBU-SVVSIZISSA-N 0 0 407.897 5.310 50 0 HKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 ZINC000101674194 569008150 /nfs/dbraw/zinc/00/81/50/569008150.db2.gz AKAMYEOOALBFQV-NQHRYMMQSA-N 0 0 407.598 6.365 50 0 biogenic HKAARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H]1c3ccccc3C(=O)N21 ZINC000101695538 560798231 /nfs/dbraw/zinc/79/82/31/560798231.db2.gz LEESQCZPCZPWQC-RUZDIDTESA-N 0 0 420.468 5.701 50 0 HKAARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H]1c3ccccc3C(=O)N21 ZINC000101695542 560798237 /nfs/dbraw/zinc/79/82/37/560798237.db2.gz LEESQCZPCZPWQC-VWLOTQADSA-N 0 0 420.468 5.701 50 0 HKAARN Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)[NH+]=C3c4ccccc4C(=O)C32)cc1 ZINC000101812356 560802376 /nfs/dbraw/zinc/80/23/76/560802376.db2.gz VTWIZXSNNGFUPC-FQEVSTJZSA-N 0 0 405.457 5.435 50 0 HKAARN Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)[NH+]=C3c4ccccc4C(=O)C32)cc1 ZINC000101812360 560802390 /nfs/dbraw/zinc/80/23/90/560802390.db2.gz VTWIZXSNNGFUPC-HXUWFJFHSA-N 0 0 405.457 5.435 50 0 HKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101835312 560803302 /nfs/dbraw/zinc/80/33/02/560803302.db2.gz QXPYKWREDARIIF-HSZRJFAPSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000101835317 560803313 /nfs/dbraw/zinc/80/33/13/560803313.db2.gz QXPYKWREDARIIF-QHCPKHFHSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000101835370 560803257 /nfs/dbraw/zinc/80/32/57/560803257.db2.gz WOWYCVXQQKIYGP-HSZRJFAPSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccc(C)c4)nn3[C@H](c3ccccc3)C2)cc1 ZINC000101835375 560803271 /nfs/dbraw/zinc/80/32/71/560803271.db2.gz WOWYCVXQQKIYGP-QHCPKHFHSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101835525 560803299 /nfs/dbraw/zinc/80/32/99/560803299.db2.gz ZXNZHPQXTFJTEK-QHCPKHFHSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101835531 560803337 /nfs/dbraw/zinc/80/33/37/560803337.db2.gz ZXNZHPQXTFJTEK-HSZRJFAPSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4cccc(C)c4)nn32)cc1 ZINC000101835606 560803369 /nfs/dbraw/zinc/80/33/69/560803369.db2.gz PSHGYBYROXOLDG-QHCPKHFHSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4cccc(C)c4)nn32)cc1 ZINC000101835610 560803351 /nfs/dbraw/zinc/80/33/51/560803351.db2.gz PSHGYBYROXOLDG-HSZRJFAPSA-N 0 0 421.504 5.203 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101835687 560803347 /nfs/dbraw/zinc/80/33/47/560803347.db2.gz JQMYVBIJURFHHL-IBGZPJMESA-N 0 0 407.905 5.035 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(C)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101835693 560803357 /nfs/dbraw/zinc/80/33/57/560803357.db2.gz JQMYVBIJURFHHL-LJQANCHMSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)CC(C)C)nn32)cc1 ZINC000101835824 560803481 /nfs/dbraw/zinc/80/34/81/560803481.db2.gz RQZSEVKYRMCYBU-FQEVSTJZSA-N 0 0 421.932 5.281 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)CC(C)C)nn32)cc1 ZINC000101835831 560803492 /nfs/dbraw/zinc/80/34/92/560803492.db2.gz RQZSEVKYRMCYBU-HXUWFJFHSA-N 0 0 421.932 5.281 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101835879 560803472 /nfs/dbraw/zinc/80/34/72/560803472.db2.gz TZQVAPVTUQATSH-QHCPKHFHSA-N 0 0 421.504 5.203 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccccc4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101835885 560803484 /nfs/dbraw/zinc/80/34/84/560803484.db2.gz TZQVAPVTUQATSH-HSZRJFAPSA-N 0 0 421.504 5.203 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(C)cc1)=N2 ZINC000101836095 560803495 /nfs/dbraw/zinc/80/34/95/560803495.db2.gz JHBCTKBKRKMMSZ-IBGZPJMESA-N 0 0 407.905 5.035 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(C)cc1)=N2 ZINC000101836101 560803465 /nfs/dbraw/zinc/80/34/65/560803465.db2.gz JHBCTKBKRKMMSZ-LJQANCHMSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836224 560803518 /nfs/dbraw/zinc/80/35/18/560803518.db2.gz OHMCMOLXUKQACR-HXUWFJFHSA-N 0 0 421.932 5.281 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836230 560803561 /nfs/dbraw/zinc/80/35/61/560803561.db2.gz OHMCMOLXUKQACR-FQEVSTJZSA-N 0 0 421.932 5.281 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(C)cc1)=N2 ZINC000101836899 560803731 /nfs/dbraw/zinc/80/37/31/560803731.db2.gz MOCORRYFYLVLGC-IBGZPJMESA-N 0 0 407.905 5.035 50 0 HKAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(C)cc1)=N2 ZINC000101836902 560803755 /nfs/dbraw/zinc/80/37/55/560803755.db2.gz MOCORRYFYLVLGC-LJQANCHMSA-N 0 0 407.905 5.035 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101837034 560803722 /nfs/dbraw/zinc/80/37/22/560803722.db2.gz HOJJYHGMYCWGIY-HXUWFJFHSA-N 0 0 421.932 5.281 50 0 HKAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101837037 560803759 /nfs/dbraw/zinc/80/37/59/560803759.db2.gz HOJJYHGMYCWGIY-FQEVSTJZSA-N 0 0 421.932 5.281 50 0 HKAARN O=C(Nc1cccc(Br)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000101857616 559148086 /nfs/dbraw/zinc/14/80/86/559148086.db2.gz YLNAXLXLRCUAOJ-AAVRWANBSA-N 0 0 403.147 5.244 50 0 HKAARN CC(C)CNC(=O)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000101859820 560803971 /nfs/dbraw/zinc/80/39/71/560803971.db2.gz AGXYZLMISXHUGC-UHFFFAOYSA-N 0 0 402.466 5.053 50 0 HKAARN CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3cccs3)nn12 ZINC000101875843 560804217 /nfs/dbraw/zinc/80/42/17/560804217.db2.gz RLXNAXZZLMLPFH-UHFFFAOYSA-N 0 0 406.555 5.348 50 0 HKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000101877272 559148154 /nfs/dbraw/zinc/14/81/54/559148154.db2.gz BYHYUGXAKARZAV-NPFVIJTESA-N 0 0 419.521 5.129 50 0 HKAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(C(C)(C)C)cc4)c3)C(=O)[C@@H]2C1 ZINC000101877597 559148160 /nfs/dbraw/zinc/14/81/60/559148160.db2.gz XUVZOOARONHAFF-NPFVIJTESA-N 0 0 419.521 5.129 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000101878265 569008218 /nfs/dbraw/zinc/00/82/18/569008218.db2.gz UQVFRDYSNFTPFB-NVPYSNMXSA-N 0 0 415.920 5.807 50 0 HKAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000101883915 559148311 /nfs/dbraw/zinc/14/83/11/559148311.db2.gz ZRLFIXJRKNCCHY-XDZVQPMWSA-N 0 0 421.496 5.132 50 0 HKAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000101888054 569008179 /nfs/dbraw/zinc/00/81/79/569008179.db2.gz RJVJXGZFKKXPOI-XDZVQPMWSA-N 0 0 407.513 5.546 50 0 HKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101888886 559148308 /nfs/dbraw/zinc/14/83/08/559148308.db2.gz GHQBARKLLMRQPO-VMDGZTHMSA-N 0 0 414.299 5.167 50 0 HKAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101888892 559148309 /nfs/dbraw/zinc/14/83/09/559148309.db2.gz GHQBARKLLMRQPO-ZNOIYHFQSA-N 0 0 414.299 5.167 50 0 HKAARN CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000101892578 560804481 /nfs/dbraw/zinc/80/44/81/560804481.db2.gz ZZDSMZYPUWQLPJ-UHFFFAOYSA-N 0 0 400.526 5.287 50 0 HKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4-c4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000101905792 559148384 /nfs/dbraw/zinc/14/83/84/559148384.db2.gz MCROCKJEYQBINN-PUZWTLIVSA-N 0 0 411.501 6.072 50 0 HKAARN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000101915751 560803915 /nfs/dbraw/zinc/80/39/15/560803915.db2.gz VFQXOTSQSZFLHF-QHCPKHFHSA-N 0 0 412.468 5.539 50 0 HKAARN CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000101915755 560803865 /nfs/dbraw/zinc/80/38/65/560803865.db2.gz VFQXOTSQSZFLHF-HSZRJFAPSA-N 0 0 412.468 5.539 50 0 HKAARN CCc1cccc(C)c1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101945751 560805429 /nfs/dbraw/zinc/80/54/29/560805429.db2.gz XTXWUEHENBVZRW-IBGZPJMESA-N 0 0 403.526 5.032 50 0 HKAARN CCc1cccc(C)c1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@H]2C1=O ZINC000101945755 560805420 /nfs/dbraw/zinc/80/54/20/560805420.db2.gz XTXWUEHENBVZRW-LJQANCHMSA-N 0 0 403.526 5.032 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(C)C)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101945861 560805413 /nfs/dbraw/zinc/80/54/13/560805413.db2.gz CZVINKKGPSXNJS-HXUWFJFHSA-N 0 0 403.526 5.285 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(C)C)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101945864 560805438 /nfs/dbraw/zinc/80/54/38/560805438.db2.gz CZVINKKGPSXNJS-FQEVSTJZSA-N 0 0 403.526 5.285 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101946237 560805625 /nfs/dbraw/zinc/80/56/25/560805625.db2.gz KTXMDERKEONDLT-KRWDZBQOSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946243 560805578 /nfs/dbraw/zinc/80/55/78/560805578.db2.gz KTXMDERKEONDLT-QGZVFWFLSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101946250 560805592 /nfs/dbraw/zinc/80/55/92/560805592.db2.gz VSAHGTRRFWLBBA-KRWDZBQOSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1ccc(Cl)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@H]2C1=O ZINC000101946255 560805587 /nfs/dbraw/zinc/80/55/87/560805587.db2.gz VSAHGTRRFWLBBA-QGZVFWFLSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c(Cl)c1 ZINC000101946260 560805600 /nfs/dbraw/zinc/80/56/00/560805600.db2.gz AVZMRMYVISRMTB-INIZCTEOSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c(Cl)c1 ZINC000101946264 560805627 /nfs/dbraw/zinc/80/56/27/560805627.db2.gz AVZMRMYVISRMTB-MRXNPFEDSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c1Cl ZINC000101946269 560805613 /nfs/dbraw/zinc/80/56/13/560805613.db2.gz HKNYHTPIMNCFNI-INIZCTEOSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c1Cl ZINC000101946276 560805580 /nfs/dbraw/zinc/80/55/80/560805580.db2.gz HKNYHTPIMNCFNI-MRXNPFEDSA-N 0 0 409.917 5.123 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946485 560805571 /nfs/dbraw/zinc/80/55/71/560805571.db2.gz IJZDVFWGIWSFQQ-HXUWFJFHSA-N 0 0 403.526 5.285 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)[C@H]1CCCC1=N2 ZINC000101946490 560805595 /nfs/dbraw/zinc/80/55/95/560805595.db2.gz IJZDVFWGIWSFQQ-FQEVSTJZSA-N 0 0 403.526 5.285 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c(C)c1 ZINC000101946498 560805583 /nfs/dbraw/zinc/80/55/83/560805583.db2.gz SOSCMRYEDZRLKJ-IBGZPJMESA-N 0 0 403.526 5.087 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c(C)c1 ZINC000101946503 560805564 /nfs/dbraw/zinc/80/55/64/560805564.db2.gz SOSCMRYEDZRLKJ-LJQANCHMSA-N 0 0 403.526 5.087 50 0 HKAARN COc1ccc(CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1F ZINC000101947539 560805634 /nfs/dbraw/zinc/80/56/34/560805634.db2.gz WJPYTQXZLKCWII-UHFFFAOYSA-N 0 0 408.498 5.570 50 0 HKAARN Cc1cc2c(cc1C)N(Cc1ccc(F)cc1Cl)C(=O)CC(c1cccs1)=N2 ZINC000101947543 560805678 /nfs/dbraw/zinc/80/56/78/560805678.db2.gz JXGDICCFWQFCHB-UHFFFAOYSA-N 0 0 412.917 6.215 50 0 HKAARN CCc1cccc(C)c1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000101947629 560805653 /nfs/dbraw/zinc/80/56/53/560805653.db2.gz ZVWOCIIBWQWKMB-UHFFFAOYSA-N 0 0 417.534 5.115 50 0 HKAARN Cc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101947759 560805662 /nfs/dbraw/zinc/80/56/62/560805662.db2.gz XYQJKNVWAJIATK-UHFFFAOYSA-N 0 0 417.534 5.170 50 0 HKAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947958 560805783 /nfs/dbraw/zinc/80/57/83/560805783.db2.gz ZFWZOZIZQAZTHB-UHFFFAOYSA-N 0 0 417.534 5.170 50 0 HKAARN Cc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101947997 560805804 /nfs/dbraw/zinc/80/58/04/560805804.db2.gz BYNGEMWQFZDWDE-UHFFFAOYSA-N 0 0 417.534 5.170 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(F)c1)C(=O)CC(c1cccs1)=N2 ZINC000101948061 560805818 /nfs/dbraw/zinc/80/58/18/560805818.db2.gz GIZDMUHHPALDAH-UHFFFAOYSA-N 0 0 421.497 5.000 50 0 HKAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1F)C(=O)CC(c1cccs1)=N2 ZINC000101948083 560805816 /nfs/dbraw/zinc/80/58/16/560805816.db2.gz RANKAYKKLJRDRI-UHFFFAOYSA-N 0 0 421.497 5.000 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1Cl ZINC000101948327 560805859 /nfs/dbraw/zinc/80/58/59/560805859.db2.gz NYAQYOGWEVKHRP-UHFFFAOYSA-N 0 0 423.925 5.206 50 0 HKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccccc3)C2)cc1 ZINC000101968722 560804661 /nfs/dbraw/zinc/80/46/61/560804661.db2.gz XHFSEGQAAACPLH-RUZDIDTESA-N 0 0 420.516 5.754 50 0 HKAARN CCc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccccc3)C2)cc1 ZINC000101968725 560804654 /nfs/dbraw/zinc/80/46/54/560804654.db2.gz XHFSEGQAAACPLH-VWLOTQADSA-N 0 0 420.516 5.754 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000101968782 560804669 /nfs/dbraw/zinc/80/46/69/560804669.db2.gz XUKGTYCSJLOIAP-DEOSSOPVSA-N 0 0 406.489 5.500 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000101968787 560804665 /nfs/dbraw/zinc/80/46/65/560804665.db2.gz XUKGTYCSJLOIAP-XMMPIXPASA-N 0 0 406.489 5.500 50 0 HKAARN Cc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101968791 560804644 /nfs/dbraw/zinc/80/46/44/560804644.db2.gz WJAIWECINMFYFX-VWLOTQADSA-N 0 0 420.516 5.808 50 0 HKAARN Cc1ccc(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101968795 560804649 /nfs/dbraw/zinc/80/46/49/560804649.db2.gz WJAIWECINMFYFX-RUZDIDTESA-N 0 0 420.516 5.808 50 0 HKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000101976269 560806185 /nfs/dbraw/zinc/80/61/85/560806185.db2.gz NAVHXPOZJZFUBG-UHFFFAOYSA-N 0 0 417.534 5.368 50 0 HKAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1 ZINC000101976273 560806149 /nfs/dbraw/zinc/80/61/49/560806149.db2.gz YBZXJIZZLFXVTD-UHFFFAOYSA-N 0 0 411.505 5.306 50 0 HKAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000101993797 559148816 /nfs/dbraw/zinc/14/88/16/559148816.db2.gz LMSOVKXUSILEMH-FPMFFAJLSA-N 0 0 414.859 5.034 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)CC(C)C)C3CCCCC3)n2)cc1Cl ZINC000101997356 560806970 /nfs/dbraw/zinc/80/69/70/560806970.db2.gz FDPCZHFCGCUFSE-UHFFFAOYSA-N 0 0 403.954 5.448 50 0 HKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000101999011 560806923 /nfs/dbraw/zinc/80/69/23/560806923.db2.gz WFEWCWPMZIKIJY-DEOSSOPVSA-N 0 0 403.526 5.920 50 0 HKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000101999014 560806963 /nfs/dbraw/zinc/80/69/63/560806963.db2.gz WFEWCWPMZIKIJY-XMMPIXPASA-N 0 0 403.526 5.920 50 0 HKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000101999031 560806978 /nfs/dbraw/zinc/80/69/78/560806978.db2.gz NXBRRPKRMDYMLM-QHCPKHFHSA-N 0 0 408.567 6.587 50 0 HKAARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000101999034 560806945 /nfs/dbraw/zinc/80/69/45/560806945.db2.gz NXBRRPKRMDYMLM-HSZRJFAPSA-N 0 0 408.567 6.587 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 ZINC000102003880 560807256 /nfs/dbraw/zinc/80/72/56/560807256.db2.gz WBBMGNIMSNVMAM-FPOVZHCZSA-N 0 0 406.283 5.086 50 0 HKAARN CC(C)CCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102043850 560805915 /nfs/dbraw/zinc/80/59/15/560805915.db2.gz ZLTIBVMQDZNGPK-CQSZACIVSA-N 0 0 403.979 6.240 50 0 HKAARN CC(C)CCC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102043855 560805907 /nfs/dbraw/zinc/80/59/07/560805907.db2.gz ZLTIBVMQDZNGPK-AWEZNQCLSA-N 0 0 403.979 6.240 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000102045836 560805865 /nfs/dbraw/zinc/80/58/65/560805865.db2.gz DWHXSYLAXCTONE-REWPJTCUSA-N 0 0 403.507 5.054 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102055410 560806180 /nfs/dbraw/zinc/80/61/80/560806180.db2.gz MOHSVONVIGPRDB-NVPYSNMXSA-N 0 0 413.904 5.583 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2C1=O ZINC000102066572 560559184 /nfs/dbraw/zinc/55/91/84/560559184.db2.gz QCLDUUXNUVDQEN-BVZALQNUSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2C1=O ZINC000102066579 560559252 /nfs/dbraw/zinc/55/92/52/560559252.db2.gz QCLDUUXNUVDQEN-BTCOZLQPSA-N 0 0 419.521 5.413 50 0 HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000102066585 559149010 /nfs/dbraw/zinc/14/90/10/559149010.db2.gz CSOLZNRRMSQPLG-DHJUGAMNSA-N 0 0 419.521 5.413 50 0 biogenic HKAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 ZINC000102066587 559149018 /nfs/dbraw/zinc/14/90/18/559149018.db2.gz CSOLZNRRMSQPLG-KPDCDPCYSA-N 0 0 419.521 5.413 50 0 biogenic HKAARN Cc1cccc(NC(=O)c2cnn3c2N=C(c2ccccc2)C[C@@H]3c2ccccc2)c1 ZINC000102133323 560808077 /nfs/dbraw/zinc/80/80/77/560808077.db2.gz VGQUEGASNIKSII-XMMPIXPASA-N 0 0 406.489 5.500 50 0 HKAARN Cc1cccc(NC(=O)c2cnn3c2N=C(c2ccccc2)C[C@H]3c2ccccc2)c1 ZINC000102133327 560808085 /nfs/dbraw/zinc/80/80/85/560808085.db2.gz VGQUEGASNIKSII-DEOSSOPVSA-N 0 0 406.489 5.500 50 0 HKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccccc2)C[C@@H]3c2ccccc2)cc1 ZINC000102133353 560808078 /nfs/dbraw/zinc/80/80/78/560808078.db2.gz CRSTZQWHLXSUAJ-XMMPIXPASA-N 0 0 406.489 5.500 50 0 aggregator HKAARN Cc1ccc(NC(=O)c2cnn3c2N=C(c2ccccc2)C[C@H]3c2ccccc2)cc1 ZINC000102133355 560808051 /nfs/dbraw/zinc/80/80/51/560808051.db2.gz CRSTZQWHLXSUAJ-DEOSSOPVSA-N 0 0 406.489 5.500 50 0 aggregator HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000102134213 560808087 /nfs/dbraw/zinc/80/80/87/560808087.db2.gz YVTJBQMCEPLZNF-BEVHOJJKSA-N 0 0 404.462 5.898 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccccc1F ZINC000102134242 560808048 /nfs/dbraw/zinc/80/80/48/560808048.db2.gz TYKDNJRHRFRXDI-ZSUBACEXSA-N 0 0 404.462 5.898 50 0 HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000102182735 560808476 /nfs/dbraw/zinc/80/84/76/560808476.db2.gz IPHMNXZTMBFVRY-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000102182741 560808474 /nfs/dbraw/zinc/80/84/74/560808474.db2.gz IPHMNXZTMBFVRY-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102201081 560808632 /nfs/dbraw/zinc/80/86/32/560808632.db2.gz RMRYKHWDSQPDGD-UHFFFAOYSA-N 0 0 405.376 5.278 50 0 HKAARN CCOc1ccccc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102201263 560808642 /nfs/dbraw/zinc/80/86/42/560808642.db2.gz DIXIPUAXXDYZBQ-UHFFFAOYSA-N 0 0 407.470 5.190 50 0 HKAARN COc1ccc(C)cc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102201353 560808625 /nfs/dbraw/zinc/80/86/25/560808625.db2.gz RUOXZFJHTVAUJI-UHFFFAOYSA-N 0 0 407.470 5.109 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201384 560808633 /nfs/dbraw/zinc/80/86/33/560808633.db2.gz SMQQNRDKVJJIJX-UHFFFAOYSA-N 0 0 419.868 5.703 50 0 HKAARN Cc1cc(C)cc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000102201387 560808641 /nfs/dbraw/zinc/80/86/41/560808641.db2.gz VDODVPCEBYHASF-UHFFFAOYSA-N 0 0 413.477 5.666 50 0 HKAARN O=C(Nc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201400 560808618 /nfs/dbraw/zinc/80/86/18/560808618.db2.gz IOBSWLOWFPCSKM-UHFFFAOYSA-N 0 0 403.413 5.188 50 0 HKAARN O=C(Nc1ccccc1Cl)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201404 560808616 /nfs/dbraw/zinc/80/86/16/560808616.db2.gz SVMZUAPWAXDSGB-UHFFFAOYSA-N 0 0 419.868 5.703 50 0 HKAARN CCc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000102201408 560808629 /nfs/dbraw/zinc/80/86/29/560808629.db2.gz CCLZGOCFJCDALQ-UHFFFAOYSA-N 0 0 413.477 5.612 50 0 HKAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000102201410 560808648 /nfs/dbraw/zinc/80/86/48/560808648.db2.gz CPEQZEHBRKPIAE-UHFFFAOYSA-N 0 0 415.449 5.058 50 0 HKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1C ZINC000102201412 560808615 /nfs/dbraw/zinc/80/86/15/560808615.db2.gz UMMAWIUFRJSZNF-UHFFFAOYSA-N 0 0 413.477 5.666 50 0 HKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1F ZINC000102201465 560808645 /nfs/dbraw/zinc/80/86/45/560808645.db2.gz KZQYGDZQVDRMHF-UHFFFAOYSA-N 0 0 417.440 5.497 50 0 HKAARN O=C(Nc1ccc(F)cc1F)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201488 560808639 /nfs/dbraw/zinc/80/86/39/560808639.db2.gz LRWNQALIQDTHIH-UHFFFAOYSA-N 0 0 421.403 5.327 50 0 HKAARN O=C(Nc1cccc(F)c1)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201501 560808644 /nfs/dbraw/zinc/80/86/44/560808644.db2.gz NURIMSHHPTUTIA-UHFFFAOYSA-N 0 0 403.413 5.188 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)[C@H]1C ZINC000102249778 560808954 /nfs/dbraw/zinc/80/89/54/560808954.db2.gz ZTZXEWQQNLXIIA-JTDSTZFVSA-N 0 0 422.550 5.061 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)[C@H]1C ZINC000102249782 560808948 /nfs/dbraw/zinc/80/89/48/560808948.db2.gz ZTZXEWQQNLXIIA-GJYPPUQNSA-N 0 0 422.550 5.061 50 0 HKAARN Brc1ccc(/N=c2/scc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000102264934 559149764 /nfs/dbraw/zinc/14/97/64/559149764.db2.gz CWNNKJBFXQVOGR-LSDHQDQOSA-N 0 0 411.324 5.853 50 0 HKAARN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCc2ccccc2)c1 ZINC000102265078 559149773 /nfs/dbraw/zinc/14/97/73/559149773.db2.gz JXPLQRPJAKATKT-LCUIJRPUSA-N 0 0 404.966 6.654 50 0 HKAARN CCn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N/c1cccc2ccccc21 ZINC000102300248 559149771 /nfs/dbraw/zinc/14/97/71/559149771.db2.gz OOUYSMRPKWHUDA-BYYHNAKLSA-N 0 0 406.554 7.289 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c(C)c1 ZINC000102300691 560809127 /nfs/dbraw/zinc/80/91/27/560809127.db2.gz FPDUAJVGLRZUIY-UHFFFAOYSA-N 0 0 417.534 5.170 50 0 HKAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c1Cl ZINC000102300793 560809124 /nfs/dbraw/zinc/80/91/24/560809124.db2.gz JMSBJSPPQKLLGO-UHFFFAOYSA-N 0 0 423.925 5.206 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c(Cl)c1 ZINC000102300798 560809120 /nfs/dbraw/zinc/80/91/20/560809120.db2.gz NZXVJJUFXFNNTN-UHFFFAOYSA-N 0 0 423.925 5.206 50 0 HKAARN c1coc(Cn2c(-c3ccccc3)cs/c2=N/c2ccc(-c3ccccc3)cc2)c1 ZINC000102309061 559149898 /nfs/dbraw/zinc/14/98/98/559149898.db2.gz UXQYGEYDXAAYBZ-CYYJNZCTSA-N 0 0 408.526 6.757 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]1C ZINC000102310293 560809317 /nfs/dbraw/zinc/80/93/17/560809317.db2.gz ADILOWWLRFRUNW-VWKPWSFCSA-N 0 0 423.557 5.469 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]1C ZINC000102310298 560809316 /nfs/dbraw/zinc/80/93/16/560809316.db2.gz ADILOWWLRFRUNW-XFQAVAEZSA-N 0 0 423.557 5.469 50 0 HKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)C/C=C2/[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(C(C)C)c1 ZINC000102319702 569013176 /nfs/dbraw/zinc/01/31/76/569013176.db2.gz GAYUDWYUSXHAAU-ANNBQZCPSA-N 0 0 416.671 7.069 50 0 HKAARN O=C1Nc2ccccc2/C1=C\c1ccc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2c1 ZINC000102319789 569013185 /nfs/dbraw/zinc/01/31/85/569013185.db2.gz GIGRMIMMULKNAK-DFEHQXHXSA-N 0 0 414.464 5.825 50 0 HKAARN O=C1c2ccccc2C(=CNc2cc(Cl)cc(Cl)c2)C(=O)N1c1nccs1 ZINC000102322254 569039299 /nfs/dbraw/zinc/03/92/99/569039299.db2.gz QTRKAQYZXUZRIK-MHWRWJLKSA-N 0 0 416.289 5.090 50 0 HKAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cc2Cl)C(=O)N1c1nccs1 ZINC000102322270 569039312 /nfs/dbraw/zinc/03/93/12/569039312.db2.gz DNDQHQGZJLMMLQ-GXDHUFHOSA-N 0 0 416.289 5.090 50 0 HKAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)n1 ZINC000102328940 569039307 /nfs/dbraw/zinc/03/93/07/569039307.db2.gz XUVHEKSKCNKNGY-UNOMPAQXSA-N 0 0 424.287 5.337 50 0 HKAARN COc1ccc(C2=Nc3ccccc3N(Cc3ccc(Cl)cc3F)C(=O)C2)cc1 ZINC000102425929 560810868 /nfs/dbraw/zinc/81/08/68/560810868.db2.gz ZQCRLAZGHHWNNK-UHFFFAOYSA-N 0 0 408.860 5.545 50 0 HKAARN CCN(CC)c1ccc2cc(-c3csc(/C=C\c4ccccc4)n3)c(=O)oc2c1 ZINC000102443358 560811552 /nfs/dbraw/zinc/81/15/52/560811552.db2.gz HFNSDZNDVDTCEJ-RAXLEYEMSA-N 0 0 402.519 5.933 50 0 HKAARN N=c1c2nc(-c3ccccc3)oc2n(Cc2ccccc2)c(=S)n1-c1ccccc1 ZINC000102479498 560811815 /nfs/dbraw/zinc/81/18/15/560811815.db2.gz XNWBJLIFCDUAPU-UHFFFAOYSA-N 0 0 410.502 5.344 50 0 HKAARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102482981 560811769 /nfs/dbraw/zinc/81/17/69/560811769.db2.gz RLTAQGGXOWFWBX-XMMPIXPASA-N 0 0 406.526 6.355 50 0 HKAARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102482985 560811748 /nfs/dbraw/zinc/81/17/48/560811748.db2.gz RLTAQGGXOWFWBX-DEOSSOPVSA-N 0 0 406.526 6.355 50 0 HKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000102490071 560811942 /nfs/dbraw/zinc/81/19/42/560811942.db2.gz LVIJCZQLOCFMOJ-QHCPKHFHSA-N 0 0 408.567 6.731 50 0 HKAARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000102490077 560812034 /nfs/dbraw/zinc/81/20/34/560812034.db2.gz LVIJCZQLOCFMOJ-HSZRJFAPSA-N 0 0 408.567 6.731 50 0 HKAARN Cc1c(C)c(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)ccc1Br ZINC000102518066 559150818 /nfs/dbraw/zinc/15/08/18/559150818.db2.gz PSNSRACEUKDZNJ-KSZLIROESA-N 0 0 412.327 5.139 50 0 HKAARN Cc1c(C)c(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)ccc1Br ZINC000102518072 559150825 /nfs/dbraw/zinc/15/08/25/559150825.db2.gz PSNSRACEUKDZNJ-KURKYZTESA-N 0 0 412.327 5.139 50 0 HKAARN COc1ccc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102527662 560816308 /nfs/dbraw/zinc/81/63/08/560816308.db2.gz VVAXMPPRLMZRFD-DEOSSOPVSA-N 0 0 406.526 6.192 50 0 HKAARN COc1ccc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102527667 560816298 /nfs/dbraw/zinc/81/62/98/560816298.db2.gz VVAXMPPRLMZRFD-XMMPIXPASA-N 0 0 406.526 6.192 50 0 HKAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c(C)c1 ZINC000102529356 560812998 /nfs/dbraw/zinc/81/29/98/560812998.db2.gz YKGRJJVTMIFBCT-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)cc1 ZINC000102529381 560812993 /nfs/dbraw/zinc/81/29/93/560812993.db2.gz OFFRQXQLBOYDOO-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C(=O)C2)cc1 ZINC000102529387 560812989 /nfs/dbraw/zinc/81/29/89/560812989.db2.gz AIRAZQGETQQVTG-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C(=O)C2)cc1 ZINC000102529392 560813013 /nfs/dbraw/zinc/81/30/13/560813013.db2.gz HSBDKUNREHCTGC-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)cc1 ZINC000102529396 560813012 /nfs/dbraw/zinc/81/30/12/560813012.db2.gz ODBRFCYWVKWHBW-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000102529403 560812971 /nfs/dbraw/zinc/81/29/71/560812971.db2.gz NOOLQXLGQXVECN-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2)CC1=O ZINC000102529408 560813005 /nfs/dbraw/zinc/81/30/05/560813005.db2.gz IFBRQDZDMPXIKN-UHFFFAOYSA-N 0 0 411.505 5.054 50 0 HKAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)c1 ZINC000102529412 560813006 /nfs/dbraw/zinc/81/30/06/560813006.db2.gz FAFFLFQORUFSET-UHFFFAOYSA-N 0 0 411.505 5.054 50 0 HKAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1 ZINC000102529416 560813007 /nfs/dbraw/zinc/81/30/07/560813007.db2.gz BYUMPIKQBHNLJB-UHFFFAOYSA-N 0 0 411.505 5.054 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000102529452 560812994 /nfs/dbraw/zinc/81/29/94/560812994.db2.gz GOLOCXAAQOTXSE-UHFFFAOYSA-N 0 0 417.896 5.145 50 0 HKAARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000102529874 560813188 /nfs/dbraw/zinc/81/31/88/560813188.db2.gz GWSJLOUYSODDKQ-QFIPXVFZSA-N 0 0 415.364 7.482 50 0 HKAARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000102529878 560813164 /nfs/dbraw/zinc/81/31/64/560813164.db2.gz GWSJLOUYSODDKQ-JOCHJYFZSA-N 0 0 415.364 7.482 50 0 HKAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3C)C(=O)C2)cc1C ZINC000102529971 560813190 /nfs/dbraw/zinc/81/31/90/560813190.db2.gz IQCPBDFXSYQLSF-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102529978 560813184 /nfs/dbraw/zinc/81/31/84/560813184.db2.gz VSQKXKJEVBBAPR-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000102529981 560813191 /nfs/dbraw/zinc/81/31/91/560813191.db2.gz CHAVBPLGSKTSPU-UHFFFAOYSA-N 0 0 411.505 5.108 50 0 HKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3C)C(=O)C2)cc1 ZINC000102530665 560813289 /nfs/dbraw/zinc/81/32/89/560813289.db2.gz JKJHNTYPXFCZKI-UHFFFAOYSA-N 0 0 411.505 5.054 50 0 HKAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3)C(=O)C2)cc1 ZINC000102530669 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COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000102658954 560819166 /nfs/dbraw/zinc/81/91/66/560819166.db2.gz TYTZQQUGMPFUTQ-YCRPNKLZSA-N 0 0 406.873 5.005 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000102658957 560819146 /nfs/dbraw/zinc/81/91/46/560819146.db2.gz TYTZQQUGMPFUTQ-QVKFZJNVSA-N 0 0 406.873 5.005 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102659469 560819179 /nfs/dbraw/zinc/81/91/79/560819179.db2.gz KBYWHJVQVSLUBV-YUNKPMOVSA-N 0 0 412.827 5.275 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102659472 560819180 /nfs/dbraw/zinc/81/91/80/560819180.db2.gz KBYWHJVQVSLUBV-ODXCJYRJSA-N 0 0 412.827 5.275 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102659473 560819149 /nfs/dbraw/zinc/81/91/49/560819149.db2.gz KBYWHJVQVSLUBV-FKIZINRSSA-N 0 0 412.827 5.275 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102659477 560819163 /nfs/dbraw/zinc/81/91/63/560819163.db2.gz KBYWHJVQVSLUBV-MPBGBICISA-N 0 0 412.827 5.275 50 0 HKAARN Cc1ccsc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3)nn21 ZINC000102659781 560819147 /nfs/dbraw/zinc/81/91/47/560819147.db2.gz ZMQVPWQDQXYQHZ-SFHVURJKSA-N 0 0 408.552 5.612 50 0 HKAARN Cc1ccsc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3)nn21 ZINC000102659785 560819153 /nfs/dbraw/zinc/81/91/53/560819153.db2.gz ZMQVPWQDQXYQHZ-GOSISDBHSA-N 0 0 408.552 5.612 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccc(Cl)c1 ZINC000102659969 560819173 /nfs/dbraw/zinc/81/91/73/560819173.db2.gz DWFWSHCRBJHSKS-FQEVSTJZSA-N 0 0 420.900 6.077 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc(Cl)c1 ZINC000102659971 560819148 /nfs/dbraw/zinc/81/91/48/560819148.db2.gz DWFWSHCRBJHSKS-HXUWFJFHSA-N 0 0 420.900 6.077 50 0 HKAARN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000102660319 569041093 /nfs/dbraw/zinc/04/10/93/569041093.db2.gz ILPBLIJKPWHQRZ-OAQYLSRUSA-N 0 0 418.522 5.251 50 0 HKAARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000102660320 560819289 /nfs/dbraw/zinc/81/92/89/560819289.db2.gz ILPBLIJKPWHQRZ-NRFANRHFSA-N 0 0 418.522 5.251 50 0 HKAARN COc1cccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102660887 560819350 /nfs/dbraw/zinc/81/93/50/560819350.db2.gz IPYVNGHDACDOBX-NRFANRHFSA-N 0 0 416.481 5.432 50 0 HKAARN COc1cccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000102660890 560819279 /nfs/dbraw/zinc/81/92/79/560819279.db2.gz IPYVNGHDACDOBX-OAQYLSRUSA-N 0 0 416.481 5.432 50 0 HKAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000102664197 560819373 /nfs/dbraw/zinc/81/93/73/560819373.db2.gz RPIXHMSOMGWMFB-QVKFZJNVSA-N 0 0 406.873 5.005 50 0 HKAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000102664199 560819427 /nfs/dbraw/zinc/81/94/27/560819427.db2.gz RPIXHMSOMGWMFB-VFNWGFHPSA-N 0 0 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COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000102728089 560822003 /nfs/dbraw/zinc/82/20/03/560822003.db2.gz JNYPVTWPHZPOGB-OPAMFIHVSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000102728091 560822048 /nfs/dbraw/zinc/82/20/48/560822048.db2.gz JNYPVTWPHZPOGB-AOMKIAJQSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000102728095 560822047 /nfs/dbraw/zinc/82/20/47/560822047.db2.gz JNYPVTWPHZPOGB-ZHRRBRCNSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000102729066 560822131 /nfs/dbraw/zinc/82/21/31/560822131.db2.gz FCYXDLYOANEAGA-QMHKHESXSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000102729068 560822097 /nfs/dbraw/zinc/82/20/97/560822097.db2.gz FCYXDLYOANEAGA-WAIKUNEKSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000102729069 560822091 /nfs/dbraw/zinc/82/20/91/560822091.db2.gz FCYXDLYOANEAGA-HJPURHCSSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000102729072 560822116 /nfs/dbraw/zinc/82/21/16/560822116.db2.gz FCYXDLYOANEAGA-MWTRTKDXSA-N 0 0 416.477 5.608 50 0 HKAARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102729274 560822076 /nfs/dbraw/zinc/82/20/76/560822076.db2.gz SADJGWZFRWOEBL-YCRPNKLZSA-N 0 0 406.869 5.950 50 0 HKAARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102729276 560822099 /nfs/dbraw/zinc/82/20/99/560822099.db2.gz SADJGWZFRWOEBL-QVKFZJNVSA-N 0 0 406.869 5.950 50 0 HKAARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102729278 560822093 /nfs/dbraw/zinc/82/20/93/560822093.db2.gz SADJGWZFRWOEBL-BTYIYWSLSA-N 0 0 406.869 5.950 50 0 HKAARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102729281 560822084 /nfs/dbraw/zinc/82/20/84/560822084.db2.gz SADJGWZFRWOEBL-VFNWGFHPSA-N 0 0 406.869 5.950 50 0 HKAARN COc1ccccc1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102729722 560822221 /nfs/dbraw/zinc/82/22/21/560822221.db2.gz QKXIWKFOMQKJSG-UHFFFAOYSA-N 0 0 411.914 5.234 50 0 HKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4C(C)C)CC3=O)n2)cc1 ZINC000102729836 560822243 /nfs/dbraw/zinc/82/22/43/560822243.db2.gz VDRHXHFGRNSYKP-UHFFFAOYSA-N 0 0 405.523 5.709 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC ZINC000102731093 560822389 /nfs/dbraw/zinc/82/23/89/560822389.db2.gz ACSPVRQCANXBBW-KSFYIVLOSA-N 0 0 417.465 5.003 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC ZINC000102731095 560822375 /nfs/dbraw/zinc/82/23/75/560822375.db2.gz ACSPVRQCANXBBW-OPAMFIHVSA-N 0 0 417.465 5.003 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC ZINC000102731097 560822363 /nfs/dbraw/zinc/82/23/63/560822363.db2.gz ACSPVRQCANXBBW-AOMKIAJQSA-N 0 0 417.465 5.003 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC ZINC000102731099 560822412 /nfs/dbraw/zinc/82/24/12/560822412.db2.gz ACSPVRQCANXBBW-ZHRRBRCNSA-N 0 0 417.465 5.003 50 0 HKAARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)cc1)C2 ZINC000102731629 560822466 /nfs/dbraw/zinc/82/24/66/560822466.db2.gz ROGOAEAYQCQEIE-OYHNWAKOSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)cc1)C2 ZINC000102731632 560822441 /nfs/dbraw/zinc/82/24/41/560822441.db2.gz ROGOAEAYQCQEIE-IVZQSRNASA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)cc1)C2 ZINC000102731635 560822476 /nfs/dbraw/zinc/82/24/76/560822476.db2.gz ROGOAEAYQCQEIE-NYHFZMIOSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)cc1)C2 ZINC000102731638 560822480 /nfs/dbraw/zinc/82/24/80/560822480.db2.gz ROGOAEAYQCQEIE-QRQCRPRQSA-N 0 0 402.450 5.305 50 0 HKAARN CCCCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000102731706 560822473 /nfs/dbraw/zinc/82/24/73/560822473.db2.gz KAYRIRWMJBNMAZ-CQSZACIVSA-N 0 0 415.559 5.358 50 0 HKAARN CCCCC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000102731708 560822490 /nfs/dbraw/zinc/82/24/90/560822490.db2.gz KAYRIRWMJBNMAZ-AWEZNQCLSA-N 0 0 415.559 5.358 50 0 HKAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1 ZINC000102731778 560822462 /nfs/dbraw/zinc/82/24/62/560822462.db2.gz KFGYHJXYFUCIBA-KSFYIVLOSA-N 0 0 402.450 5.305 50 0 HKAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1 ZINC000102731781 560822488 /nfs/dbraw/zinc/82/24/88/560822488.db2.gz KFGYHJXYFUCIBA-OPAMFIHVSA-N 0 0 402.450 5.305 50 0 HKAARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)c1 ZINC000102731785 560822491 /nfs/dbraw/zinc/82/24/91/560822491.db2.gz KFGYHJXYFUCIBA-AOMKIAJQSA-N 0 0 402.450 5.305 50 0 HKAARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)c1 ZINC000102731786 560822478 /nfs/dbraw/zinc/82/24/78/560822478.db2.gz KFGYHJXYFUCIBA-ZHRRBRCNSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000102732391 560822576 /nfs/dbraw/zinc/82/25/76/560822576.db2.gz XZFIRAAOFSCVMF-KSFYIVLOSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000102732394 560822609 /nfs/dbraw/zinc/82/26/09/560822609.db2.gz XZFIRAAOFSCVMF-OPAMFIHVSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)cc2)cc1 ZINC000102732398 560822645 /nfs/dbraw/zinc/82/26/45/560822645.db2.gz XZFIRAAOFSCVMF-AOMKIAJQSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)cc2)cc1 ZINC000102732399 560822618 /nfs/dbraw/zinc/82/26/18/560822618.db2.gz XZFIRAAOFSCVMF-ZHRRBRCNSA-N 0 0 402.450 5.305 50 0 HKAARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCc4ccccc4)CC3=O)n2)cc1 ZINC000102734879 560822763 /nfs/dbraw/zinc/82/27/63/560822763.db2.gz DBEDFVBZZHBPAX-INIZCTEOSA-N 0 0 419.550 5.402 50 0 HKAARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCc4ccccc4)CC3=O)n2)cc1 ZINC000102734882 560822748 /nfs/dbraw/zinc/82/27/48/560822748.db2.gz DBEDFVBZZHBPAX-MRXNPFEDSA-N 0 0 419.550 5.402 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2)c1 ZINC000102735063 560822738 /nfs/dbraw/zinc/82/27/38/560822738.db2.gz PYWDCZCQQKGHIC-QMHKHESXSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2)c1 ZINC000102735064 560822691 /nfs/dbraw/zinc/82/26/91/560822691.db2.gz PYWDCZCQQKGHIC-WAIKUNEKSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2)c1 ZINC000102735065 560822749 /nfs/dbraw/zinc/82/27/49/560822749.db2.gz PYWDCZCQQKGHIC-HJPURHCSSA-N 0 0 416.477 5.608 50 0 HKAARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2)c1 ZINC000102735067 560822890 /nfs/dbraw/zinc/82/28/90/560822890.db2.gz PYWDCZCQQKGHIC-MWTRTKDXSA-N 0 0 416.477 5.608 50 0 HKAARN Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102735470 560822861 /nfs/dbraw/zinc/82/28/61/560822861.db2.gz AKJBCOQULQVICZ-LHSJRXKWSA-N 0 0 424.859 6.089 50 0 HKAARN Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102735473 560822846 /nfs/dbraw/zinc/82/28/46/560822846.db2.gz AKJBCOQULQVICZ-SPLOXXLWSA-N 0 0 424.859 6.089 50 0 HKAARN Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102735476 560822876 /nfs/dbraw/zinc/82/28/76/560822876.db2.gz AKJBCOQULQVICZ-QKKBWIMNSA-N 0 0 424.859 6.089 50 0 HKAARN Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102735479 560822868 /nfs/dbraw/zinc/82/28/68/560822868.db2.gz AKJBCOQULQVICZ-SZNDQCEHSA-N 0 0 424.859 6.089 50 0 HKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1OC ZINC000102737956 560824642 /nfs/dbraw/zinc/82/46/42/560824642.db2.gz 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COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC ZINC000102740095 560824941 /nfs/dbraw/zinc/82/49/41/560824941.db2.gz XNGOKXJGXLVDES-FPTDNZKUSA-N 0 0 422.506 5.669 50 0 HKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC ZINC000102740097 560824943 /nfs/dbraw/zinc/82/49/43/560824943.db2.gz XNGOKXJGXLVDES-PEBXRYMYSA-N 0 0 422.506 5.669 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3cccc(O)c3)C12 ZINC000102741896 560823701 /nfs/dbraw/zinc/82/37/01/560823701.db2.gz IPZVVDZDIAOFCN-BFUOFWGJSA-N 0 0 408.845 5.058 50 0 HKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3cccc(O)c3)C12 ZINC000102741899 560823604 /nfs/dbraw/zinc/82/36/04/560823604.db2.gz IPZVVDZDIAOFCN-YJYMSZOUSA-N 0 0 408.845 5.058 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3cccc(O)c3)C12 ZINC000102741901 560823686 /nfs/dbraw/zinc/82/36/86/560823686.db2.gz IPZVVDZDIAOFCN-ORAYPTAESA-N 0 0 408.845 5.058 50 0 HKAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3cccc(O)c3)C12 ZINC000102741902 560823621 /nfs/dbraw/zinc/82/36/21/560823621.db2.gz IPZVVDZDIAOFCN-DJJJIMSYSA-N 0 0 408.845 5.058 50 0 HKAARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccncc2)C1 ZINC000102749745 560824363 /nfs/dbraw/zinc/82/43/63/560824363.db2.gz WCGHSDDOPSGKQX-FQEVSTJZSA-N 0 0 417.538 5.273 50 0 HKAARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccncc2)C1 ZINC000102749747 560824303 /nfs/dbraw/zinc/82/43/03/560824303.db2.gz WCGHSDDOPSGKQX-HXUWFJFHSA-N 0 0 417.538 5.273 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)c1 ZINC000102756700 560826026 /nfs/dbraw/zinc/82/60/26/560826026.db2.gz PSQQZIFLRYPCME-VWNXMTODSA-N 0 0 402.519 5.659 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)c1 ZINC000102756702 560826031 /nfs/dbraw/zinc/82/60/31/560826031.db2.gz PSQQZIFLRYPCME-UPVQGACJSA-N 0 0 402.519 5.659 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)c1 ZINC000102764568 560825109 /nfs/dbraw/zinc/82/51/09/560825109.db2.gz WSAXZBBOYVZCQJ-UPVQGACJSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)c1 ZINC000102765232 560825136 /nfs/dbraw/zinc/82/51/36/560825136.db2.gz VACGZMOFKIXJDH-UPVQGACJSA-N 0 0 424.878 6.477 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)c1 ZINC000102765233 560825134 /nfs/dbraw/zinc/82/51/34/560825134.db2.gz VACGZMOFKIXJDH-VWNXMTODSA-N 0 0 424.878 6.477 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)c1 ZINC000102767322 560825122 /nfs/dbraw/zinc/82/51/22/560825122.db2.gz QVCFFHYBDOKSJT-UPVQGACJSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)c1 ZINC000102767323 560825121 /nfs/dbraw/zinc/82/51/21/560825121.db2.gz QVCFFHYBDOKSJT-VWNXMTODSA-N 0 0 423.343 6.853 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000102767396 560825067 /nfs/dbraw/zinc/82/50/67/560825067.db2.gz OTTUUZMYIOWXNH-UPVQGACJSA-N 0 0 406.888 6.338 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000102767398 560825091 /nfs/dbraw/zinc/82/50/91/560825091.db2.gz OTTUUZMYIOWXNH-VWNXMTODSA-N 0 0 406.888 6.338 50 0 HKAARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)c1 ZINC000102768442 560825220 /nfs/dbraw/zinc/82/52/20/560825220.db2.gz XVWMWDAFAVMVOE-UPVQGACJSA-N 0 0 406.888 6.338 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000102788480 560827630 /nfs/dbraw/zinc/82/76/30/560827630.db2.gz IHXLCLUTSHQOPT-AVRDEDQJSA-N 0 0 420.597 6.899 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000102788482 560827620 /nfs/dbraw/zinc/82/76/20/560827620.db2.gz IHXLCLUTSHQOPT-PGRDOPGGSA-N 0 0 420.597 6.899 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@H]1CC=C(C)C1(C)C ZINC000102788483 560827622 /nfs/dbraw/zinc/82/76/22/560827622.db2.gz IHXLCLUTSHQOPT-GCJKJVERSA-N 0 0 420.597 6.899 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@H]1CC=C(C)C1(C)C ZINC000102788485 560827582 /nfs/dbraw/zinc/82/75/82/560827582.db2.gz IHXLCLUTSHQOPT-XMSQKQJNSA-N 0 0 420.597 6.899 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102788854 560827590 /nfs/dbraw/zinc/82/75/90/560827590.db2.gz HTYLMSMBCYJDMK-DEOSSOPVSA-N 0 0 420.509 5.603 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102788856 560827628 /nfs/dbraw/zinc/82/76/28/560827628.db2.gz HTYLMSMBCYJDMK-XMMPIXPASA-N 0 0 420.509 5.603 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000102789008 560827727 /nfs/dbraw/zinc/82/77/27/560827727.db2.gz KKRVNEPPAHJEPD-DEOSSOPVSA-N 0 0 418.493 5.618 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000102789009 560827722 /nfs/dbraw/zinc/82/77/22/560827722.db2.gz KKRVNEPPAHJEPD-XMMPIXPASA-N 0 0 418.493 5.618 50 0 HKAARN COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc4ccccc4n32)c1OC ZINC000102794733 560827864 /nfs/dbraw/zinc/82/78/64/560827864.db2.gz WZOCPQCBOASBMK-NRFANRHFSA-N 0 0 401.441 5.249 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1c[nH]c2ccccc21 ZINC000102794784 560827792 /nfs/dbraw/zinc/82/77/92/560827792.db2.gz SRZWDGIAMPGIAJ-VWLOTQADSA-N 0 0 413.521 6.370 50 0 HKAARN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1c[nH]c2ccccc21 ZINC000102794786 560827814 /nfs/dbraw/zinc/82/78/14/560827814.db2.gz SRZWDGIAMPGIAJ-RUZDIDTESA-N 0 0 413.521 6.370 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000102794789 560827852 /nfs/dbraw/zinc/82/78/52/560827852.db2.gz PCTOQLYETKSIHZ-QHCPKHFHSA-N 0 0 408.929 6.543 50 0 HKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000102794791 560827854 /nfs/dbraw/zinc/82/78/54/560827854.db2.gz PCTOQLYETKSIHZ-HSZRJFAPSA-N 0 0 408.929 6.543 50 0 HKAARN Fc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000102794852 560827862 /nfs/dbraw/zinc/82/78/62/560827862.db2.gz UZROJBNUPUCWMB-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc4ccccc4n32)cc1 ZINC000102794854 560827818 /nfs/dbraw/zinc/82/78/18/560827818.db2.gz UZROJBNUPUCWMB-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1cccc([C@@H]2CC(c3cccc(Br)c3)=Nc3nc4ccccc4n32)c1 ZINC000102795070 560827812 /nfs/dbraw/zinc/82/78/12/560827812.db2.gz NEHLCOYSSYCOLE-NRFANRHFSA-N 0 0 420.285 5.994 50 0 HKAARN Fc1cccc([C@H]2CC(c3cccc(Br)c3)=Nc3nc4ccccc4n32)c1 ZINC000102795072 560827823 /nfs/dbraw/zinc/82/78/23/560827823.db2.gz NEHLCOYSSYCOLE-OAQYLSRUSA-N 0 0 420.285 5.994 50 0 HKAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102798041 560827969 /nfs/dbraw/zinc/82/79/69/560827969.db2.gz GHTUVFNVRMNFLK-NRFANRHFSA-N 0 0 408.498 5.584 50 0 HKAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102798043 560827976 /nfs/dbraw/zinc/82/79/76/560827976.db2.gz GHTUVFNVRMNFLK-OAQYLSRUSA-N 0 0 408.498 5.584 50 0 HKAARN CCOc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C2)cc1Cl ZINC000102799616 560828240 /nfs/dbraw/zinc/82/82/40/560828240.db2.gz RFDMQUWSJXXJBF-JOCHJYFZSA-N 0 0 419.887 6.284 50 0 HKAARN CCOc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C2)cc1Cl ZINC000102799618 560828256 /nfs/dbraw/zinc/82/82/56/560828256.db2.gz RFDMQUWSJXXJBF-QFIPXVFZSA-N 0 0 419.887 6.284 50 0 HKAARN FC(F)Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000102799712 560828243 /nfs/dbraw/zinc/82/82/43/560828243.db2.gz JRBDUCMPOLZVGZ-OAHLLOKOSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000102799716 560828236 /nfs/dbraw/zinc/82/82/36/560828236.db2.gz JRBDUCMPOLZVGZ-HNNXBMFYSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1cc(Cl)ccc1C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000102799955 560828264 /nfs/dbraw/zinc/82/82/64/560828264.db2.gz CZCATTPEOLNWAI-HNNXBMFYSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1cc(Cl)ccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000102799957 560828379 /nfs/dbraw/zinc/82/83/79/560828379.db2.gz CZCATTPEOLNWAI-OAHLLOKOSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1cc(Cl)ccc1C1=Nc2ncnn2[C@H](c2cccc(Cl)c2)C1 ZINC000102799999 560828376 /nfs/dbraw/zinc/82/83/76/560828376.db2.gz LXUZJQDTVUUFNH-HNNXBMFYSA-N 0 0 409.223 5.242 50 0 HKAARN FC(F)Oc1cc(Cl)ccc1C1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000102800002 560828404 /nfs/dbraw/zinc/82/84/04/560828404.db2.gz LXUZJQDTVUUFNH-OAHLLOKOSA-N 0 0 409.223 5.242 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000102800137 560828367 /nfs/dbraw/zinc/82/83/67/560828367.db2.gz NVTYALQIWQCIDY-JOCHJYFZSA-N 0 0 403.432 6.002 50 0 HKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000102800141 560828381 /nfs/dbraw/zinc/82/83/81/560828381.db2.gz NVTYALQIWQCIDY-QFIPXVFZSA-N 0 0 403.432 6.002 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000102800633 559152969 /nfs/dbraw/zinc/15/29/69/559152969.db2.gz WSCOKSJXHBGGDM-SZPZYZBQSA-N 0 0 419.521 5.273 50 0 HKAARN CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000102800635 559152977 /nfs/dbraw/zinc/15/29/77/559152977.db2.gz WSCOKSJXHBGGDM-VXKWHMMOSA-N 0 0 419.521 5.273 50 0 HKAARN CC[C@]1(C)C[C@@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000102807072 560827213 /nfs/dbraw/zinc/82/72/13/560827213.db2.gz SJNCWJQRIMYGPD-WYMJOSIYSA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CC[C@]1(C)C[C@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000102807076 560827215 /nfs/dbraw/zinc/82/72/15/560827215.db2.gz SJNCWJQRIMYGPD-ZRJLEYOISA-N 0 0 423.597 5.813 50 0 biogenic HKAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C1CCCCC1 ZINC000102810984 560829344 /nfs/dbraw/zinc/82/93/44/560829344.db2.gz KTOZIJWRLJHMEI-UHFFFAOYSA-N 0 0 413.606 5.199 50 0 HKAARN COc1ccccc1[C@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000102813124 569009816 /nfs/dbraw/zinc/00/98/16/569009816.db2.gz BLORJSGUUHAICH-COFKYPDJSA-N 0 0 423.597 5.768 50 0 biogenic HKAARN CN(Cc1ccsc1)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000102818792 559152959 /nfs/dbraw/zinc/15/29/59/559152959.db2.gz UQIMFNDREWVNEN-GHRIWEEISA-N 0 0 400.503 5.648 50 0 HKAARN CCCCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102861234 560831682 /nfs/dbraw/zinc/83/16/82/560831682.db2.gz PAUJGAWADQBATB-RUZDIDTESA-N 0 0 404.554 7.127 50 0 HKAARN CCCCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102861237 560831858 /nfs/dbraw/zinc/83/18/58/560831858.db2.gz PAUJGAWADQBATB-VWLOTQADSA-N 0 0 404.554 7.127 50 0 HKAARN CCN(C)C1=Nc2ccccc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000102862168 560832150 /nfs/dbraw/zinc/83/21/50/560832150.db2.gz MVKKVBJMDRKPSG-UHFFFAOYSA-N 0 0 405.885 5.728 50 0 HKAARN O=C(Nc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2)c1cccs1 ZINC000102862355 560832180 /nfs/dbraw/zinc/83/21/80/560832180.db2.gz CMGKHJJMPYMAPG-UHFFFAOYSA-N 0 0 403.507 5.670 50 0 HKAARN O=C(Nc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2)C1CCCCC1 ZINC000102862412 560832144 /nfs/dbraw/zinc/83/21/44/560832144.db2.gz YYXVWELDFBITSL-UHFFFAOYSA-N 0 0 403.526 5.875 50 0 HKAARN O=C(Nc1ccc2c(c1)C(N1CCCC1)=Nc1ccccc1O2)c1cccc(Cl)c1 ZINC000102862618 560832182 /nfs/dbraw/zinc/83/21/82/560832182.db2.gz GMOCRRHYCAQQDH-UHFFFAOYSA-N 0 0 417.896 5.872 50 0 HKAARN O=C(Nc1ccc2c(c1)C(N1CCCC1)=Nc1ccccc1O2)c1ccc(Cl)cc1 ZINC000102862704 560832321 /nfs/dbraw/zinc/83/23/21/560832321.db2.gz AXMSPEJVVLGQOZ-UHFFFAOYSA-N 0 0 417.896 5.872 50 0 HKAARN O=C(Nc1ccc2c(c1)C(N1CCCC1)=Nc1ccccc1O2)c1ccccc1Cl ZINC000102862733 560832289 /nfs/dbraw/zinc/83/22/89/560832289.db2.gz XDLYFPKITKPBNK-UHFFFAOYSA-N 0 0 417.896 5.872 50 0 HKAARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102863024 560832334 /nfs/dbraw/zinc/83/23/34/560832334.db2.gz ZYGBQPSPIDFEHL-DEOSSOPVSA-N 0 0 406.526 6.192 50 0 HKAARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102863028 560832320 /nfs/dbraw/zinc/83/23/20/560832320.db2.gz ZYGBQPSPIDFEHL-XMMPIXPASA-N 0 0 406.526 6.192 50 0 HKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000102863742 560832430 /nfs/dbraw/zinc/83/24/30/560832430.db2.gz KXPFBRPOPPZJDL-SIBVEZHUSA-N 0 0 414.574 7.182 50 0 HKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000102863746 560832483 /nfs/dbraw/zinc/83/24/83/560832483.db2.gz KXPFBRPOPPZJDL-BCHFMIIMSA-N 0 0 414.574 7.182 50 0 HKAARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000102865233 560832575 /nfs/dbraw/zinc/83/25/75/560832575.db2.gz URNFMROWNCUSOS-DEOSSOPVSA-N 0 0 418.537 6.144 50 0 HKAARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000102865234 560832534 /nfs/dbraw/zinc/83/25/34/560832534.db2.gz URNFMROWNCUSOS-XMMPIXPASA-N 0 0 418.537 6.144 50 0 HKAARN Cc1ccc2c(c1)N[C@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102865765 560832726 /nfs/dbraw/zinc/83/27/26/560832726.db2.gz QJHJGBFKJXMCOJ-OAQYLSRUSA-N 0 0 411.343 6.629 50 0 HKAARN Cc1ccc2c(c1)N[C@@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 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C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)[C@H]1C ZINC000103884651 560844914 /nfs/dbraw/zinc/84/49/14/560844914.db2.gz LQUWJDPNJJBKNM-VWKPWSFCSA-N 0 0 424.997 6.594 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)[C@H]1C ZINC000103884656 560853522 /nfs/dbraw/zinc/85/35/22/560853522.db2.gz LQUWJDPNJJBKNM-XFQAVAEZSA-N 0 0 424.997 6.594 50 0 HKAARN Cc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000103893273 560844876 /nfs/dbraw/zinc/84/48/76/560844876.db2.gz COZXJYVJNWAUHU-DEOSSOPVSA-N 0 0 412.911 5.943 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C(Br)=Cc1ccccc1 ZINC000103943785 560845151 /nfs/dbraw/zinc/84/51/51/560845151.db2.gz SHRSGOCRAUCRAD-FPIZWNAKSA-N 0 0 423.354 6.621 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C(Br)=Cc1ccccc1 ZINC000103943795 560845145 /nfs/dbraw/zinc/84/51/45/560845145.db2.gz SHRSGOCRAUCRAD-MCZSENPKSA-N 0 0 423.354 6.621 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@H]1CC=C(C)C1(C)C ZINC000103971965 560846269 /nfs/dbraw/zinc/84/62/69/560846269.db2.gz ALVSXBNVSPRINX-XMSQKQJNSA-N 0 0 406.570 6.509 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000103971969 560846255 /nfs/dbraw/zinc/84/62/55/560846255.db2.gz ALVSXBNVSPRINX-PGRDOPGGSA-N 0 0 406.570 6.509 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@H]1CC=C(C)C1(C)C ZINC000103971973 560846271 /nfs/dbraw/zinc/84/62/71/560846271.db2.gz ALVSXBNVSPRINX-GCJKJVERSA-N 0 0 406.570 6.509 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000103971978 560846281 /nfs/dbraw/zinc/84/62/81/560846281.db2.gz ALVSXBNVSPRINX-AVRDEDQJSA-N 0 0 406.570 6.509 50 0 HKAARN CCc1nnc(NC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2)CC3)s1 ZINC000103997444 560846556 /nfs/dbraw/zinc/84/65/56/560846556.db2.gz WCDJHAPGKBKRPJ-PEZBUJJGSA-N 0 0 412.518 5.388 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccnc1 ZINC000103998136 560846532 /nfs/dbraw/zinc/84/65/32/560846532.db2.gz IUWBLQVBDZNHAY-VWLOTQADSA-N 0 0 423.516 6.188 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccnc1 ZINC000103998140 560846694 /nfs/dbraw/zinc/84/66/94/560846694.db2.gz IUWBLQVBDZNHAY-RUZDIDTESA-N 0 0 423.516 6.188 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccnc1 ZINC000104006076 560847559 /nfs/dbraw/zinc/84/75/59/560847559.db2.gz GQNGLKFUEPRHLQ-IBGZPJMESA-N 0 0 415.415 5.436 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccnc1 ZINC000104006081 560847542 /nfs/dbraw/zinc/84/75/42/560847542.db2.gz GQNGLKFUEPRHLQ-LJQANCHMSA-N 0 0 415.415 5.436 50 0 HKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000104006273 560847561 /nfs/dbraw/zinc/84/75/61/560847561.db2.gz YPTGHFAGSNAJAG-QHCPKHFHSA-N 0 0 406.501 6.274 50 0 HKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000104006281 560847572 /nfs/dbraw/zinc/84/75/72/560847572.db2.gz YPTGHFAGSNAJAG-HSZRJFAPSA-N 0 0 406.501 6.274 50 0 HKAARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)ccc1O ZINC000104068345 560847858 /nfs/dbraw/zinc/84/78/58/560847858.db2.gz ZNYYVRPARDRSAJ-XMMPIXPASA-N 0 0 420.509 5.603 50 0 HKAARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)ccc1O ZINC000104068350 560847820 /nfs/dbraw/zinc/84/78/20/560847820.db2.gz ZNYYVRPARDRSAJ-DEOSSOPVSA-N 0 0 420.509 5.603 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104078973 560848012 /nfs/dbraw/zinc/84/80/12/560848012.db2.gz QSVDONWGKCFINS-VWLOTQADSA-N 0 0 416.565 6.797 50 0 HKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000104078976 560848035 /nfs/dbraw/zinc/84/80/35/560848035.db2.gz QSVDONWGKCFINS-RUZDIDTESA-N 0 0 416.565 6.797 50 0 HKAARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000104149862 560848894 /nfs/dbraw/zinc/84/88/94/560848894.db2.gz NTBJPQCWKMTHEC-XMMPIXPASA-N 0 0 404.510 5.898 50 0 HKAARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000104149867 560848966 /nfs/dbraw/zinc/84/89/66/560848966.db2.gz NTBJPQCWKMTHEC-DEOSSOPVSA-N 0 0 404.510 5.898 50 0 HKAARN COc1ccc(OC)c([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000104153707 560848626 /nfs/dbraw/zinc/84/86/26/560848626.db2.gz SCLYOMUCFKMQOA-XMMPIXPASA-N 0 0 401.487 5.954 50 0 HKAARN COc1ccc(OC)c([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000104153711 560848622 /nfs/dbraw/zinc/84/86/22/560848622.db2.gz SCLYOMUCFKMQOA-DEOSSOPVSA-N 0 0 401.487 5.954 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccs1 ZINC000104157345 560848654 /nfs/dbraw/zinc/84/86/54/560848654.db2.gz YOTQXNHAUMKZAI-SFHVURJKSA-N 0 0 420.456 6.103 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccs1 ZINC000104157347 560848635 /nfs/dbraw/zinc/84/86/35/560848635.db2.gz YOTQXNHAUMKZAI-GOSISDBHSA-N 0 0 420.456 6.103 50 0 HKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1 ZINC000104163790 560849064 /nfs/dbraw/zinc/84/90/64/560849064.db2.gz 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CC[C@H](C)NC(=O)c1coc(CN(Cc2cccc(F)c2)[C@H](C)c2ccccc2)n1 ZINC000104966155 560858531 /nfs/dbraw/zinc/85/85/31/560858531.db2.gz SUNRMOFHKQORCY-ZWKOTPCHSA-N 0 0 409.505 5.105 50 0 HKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2cccc(F)c2)[C@H](C)c2ccccc2)n1 ZINC000104966161 560858529 /nfs/dbraw/zinc/85/85/29/560858529.db2.gz SUNRMOFHKQORCY-QZTJIDSGSA-N 0 0 409.505 5.105 50 0 HKAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966187 560858576 /nfs/dbraw/zinc/85/85/76/560858576.db2.gz FXEBLZNPWHSCLP-LEWJYISDSA-N 0 0 419.569 5.583 50 0 HKAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2C)[C@H](C)c2ccccc2)n1 ZINC000104966192 560858518 /nfs/dbraw/zinc/85/85/18/560858518.db2.gz FXEBLZNPWHSCLP-NHCUHLMSSA-N 0 0 419.569 5.583 50 0 HKAARN Cc1cccc([C@@H]2CC[C@H](C(=O)N[C@H](C)c3ccccc3)CN2C(=O)C2CCCC2)c1 ZINC000105022325 560860218 /nfs/dbraw/zinc/86/02/18/560860218.db2.gz IYIBEUZGOZWJSR-YNJKOYDBSA-N 0 0 418.581 5.342 50 0 HKAARN Cc1cccc([C@@H]2CC[C@@H](C(=O)N[C@H](C)c3ccccc3)CN2C(=O)C2CCCC2)c1 ZINC000105022333 560860252 /nfs/dbraw/zinc/86/02/52/560860252.db2.gz IYIBEUZGOZWJSR-ZPZUNKDASA-N 0 0 418.581 5.342 50 0 HKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000105029388 559162104 /nfs/dbraw/zinc/16/21/04/559162104.db2.gz LQWSQQKTZLDGME-MGCKMXKFSA-N 0 0 404.550 5.793 50 0 HKAARN C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000105086102 569283739 /nfs/dbraw/zinc/28/37/39/569283739.db2.gz ATHBXDPWCKSOLE-YRPNKDGESA-N 0 0 414.586 6.430 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105089934 560861477 /nfs/dbraw/zinc/86/14/77/560861477.db2.gz XSDWMYBBSTYOSQ-IRLDBZIGSA-N 0 0 418.585 5.176 50 0 HKAARN CC(C)CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105089938 560861458 /nfs/dbraw/zinc/86/14/58/560861458.db2.gz XSDWMYBBSTYOSQ-IFMALSPDSA-N 0 0 418.585 5.176 50 0 HKAARN CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105137084 560861831 /nfs/dbraw/zinc/86/18/31/560861831.db2.gz UUSIQWHBTMBJTG-ZJSXRUAMSA-N 0 0 408.542 5.272 50 0 HKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000105335515 560870711 /nfs/dbraw/zinc/87/07/11/560870711.db2.gz ZNMDYRBJLIGPMV-VAVDPEAGSA-N 0 0 421.556 5.857 50 0 biogenic,in-vitro HKAARN CN1C(=O)C(C(=O)C=Cc2ccc(Cl)cc2)[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 ZINC000105521427 560875298 /nfs/dbraw/zinc/87/52/98/560875298.db2.gz GPAVDNTZJUBJBU-AMEXYBHNSA-N 0 0 407.897 5.310 50 0 HKAARN O=C(C=Cc1ccc(Cl)cc1)C1C(=O)N[C@@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000105521441 560875311 /nfs/dbraw/zinc/87/53/11/560875311.db2.gz JVJWLARJLKCNHI-SVVSIZISSA-N 0 0 407.897 5.358 50 0 HKAARN O=C(C=Cc1ccc(Cl)cc1)C1C(=O)N[C@@]23CCCC[C@H]2[C@@H]1c1ccccc1O3 ZINC000105521445 560875442 /nfs/dbraw/zinc/87/54/42/560875442.db2.gz JVJWLARJLKCNHI-AMEXYBHNSA-N 0 0 407.897 5.358 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)[C@H]1C ZINC000105523110 560875458 /nfs/dbraw/zinc/87/54/58/560875458.db2.gz CVWZBGCRXZVRPV-RHZMGKOPSA-N 0 0 420.578 5.107 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)[C@H]1C ZINC000105523114 560875409 /nfs/dbraw/zinc/87/54/09/560875409.db2.gz CVWZBGCRXZVRPV-FIGUWIIQSA-N 0 0 420.578 5.107 50 0 HKAARN O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000105592253 560876334 /nfs/dbraw/zinc/87/63/34/560876334.db2.gz YPHMEKSGVWTWTE-KTBQNSCASA-N 0 0 406.869 5.963 50 0 HKAARN Cc1sc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(C(N)=O)c1-c1ccccc1 ZINC000105824402 560877698 /nfs/dbraw/zinc/87/76/98/560877698.db2.gz HFBWFLYDKMJYJO-UHFFFAOYSA-N 0 0 423.296 5.521 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000105833363 560877680 /nfs/dbraw/zinc/87/76/80/560877680.db2.gz VVYYZXQNNUZIFX-IAPPQJPRSA-N 0 0 420.487 6.735 50 0 HKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000105833366 560877666 /nfs/dbraw/zinc/87/76/66/560877666.db2.gz VVYYZXQNNUZIFX-XCZPVHLTSA-N 0 0 420.487 6.735 50 0 HKAARN Cc1ccc(N[P@@](=O)(C=C2N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C ZINC000105904454 569370750 /nfs/dbraw/zinc/37/07/50/569370750.db2.gz DGBIDGAQALSJOJ-PGZTYAEFSA-N 0 0 416.505 6.588 50 0 HKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 ZINC000105917022 559163290 /nfs/dbraw/zinc/16/32/90/559163290.db2.gz WSHXDXKCIIUSOX-KSSFIOAISA-N 0 0 401.285 5.346 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000105975455 560877948 /nfs/dbraw/zinc/87/79/48/560877948.db2.gz FPNIYRJNWXBKMF-AVRDEDQJSA-N 0 0 408.548 5.721 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000105975459 560877989 /nfs/dbraw/zinc/87/79/89/560877989.db2.gz CVCMWUXOYVCAHG-CVDCTZTESA-N 0 0 406.507 5.561 50 0 HKAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000106171437 560885045 /nfs/dbraw/zinc/88/50/45/560885045.db2.gz TYEYNTNWDGGWTD-QMTMVMCOSA-N 0 0 418.459 5.143 50 0 HKAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000106171446 560884959 /nfs/dbraw/zinc/88/49/59/560884959.db2.gz TYEYNTNWDGGWTD-KHYOSLBOSA-N 0 0 418.459 5.143 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000106179346 560884957 /nfs/dbraw/zinc/88/49/57/560884957.db2.gz XTIMGIRHXULJEU-ZMOMAAQPSA-N 0 0 406.929 5.480 50 0 HKAARN Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@H](C)[C@H]1C ZINC000106179349 560884947 /nfs/dbraw/zinc/88/49/47/560884947.db2.gz XTIMGIRHXULJEU-PXIJXODZSA-N 0 0 406.929 5.480 50 0 HKAARN O=c1oc(-c2ccccc2N[S@@](=O)c2ccc3ccccc3c2)nc2ccccc21 ZINC000106334255 560890581 /nfs/dbraw/zinc/89/05/81/560890581.db2.gz YCXFTSODIGTNER-SSEXGKCCSA-N 0 0 412.470 5.143 50 0 HKAARN C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000106343490 560890475 /nfs/dbraw/zinc/89/04/75/560890475.db2.gz AWHYQLPXMIHKLX-DZKUTHLPSA-N 0 0 420.336 5.695 50 0 HKAARN C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 ZINC000106343492 560890460 /nfs/dbraw/zinc/89/04/60/560890460.db2.gz AWHYQLPXMIHKLX-ZKCQSVRFSA-N 0 0 420.336 5.695 50 0 HKAARN CN1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000106345974 560890493 /nfs/dbraw/zinc/89/04/93/560890493.db2.gz GUAHHIHOYRGRSC-RJGXRXQPSA-N 0 0 403.909 5.325 50 0 HKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 ZINC000106617365 560892764 /nfs/dbraw/zinc/89/27/64/560892764.db2.gz KNFIVZHOWWRIOS-GJZUVCINSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 ZINC000106617367 560892770 /nfs/dbraw/zinc/89/27/70/560892770.db2.gz KNFIVZHOWWRIOS-ATIYNZHBSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000106617372 560892772 /nfs/dbraw/zinc/89/27/72/560892772.db2.gz KRYSMUHJOXJMMU-GJZUVCINSA-N 0 0 412.489 5.317 50 0 HKAARN Cc1ccc(C)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000106617373 560892759 /nfs/dbraw/zinc/89/27/59/560892759.db2.gz KRYSMUHJOXJMMU-ATIYNZHBSA-N 0 0 412.489 5.317 50 0 HKAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 ZINC000106626520 560892893 /nfs/dbraw/zinc/89/28/93/560892893.db2.gz AMOXPNGDDDEVGE-JXXFODFXSA-N 0 0 401.576 5.271 50 0 HKAARN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@H](C)O1 ZINC000106626523 560892897 /nfs/dbraw/zinc/89/28/97/560892897.db2.gz AMOXPNGDDDEVGE-GQIGUUNPSA-N 0 0 401.576 5.271 50 0 HKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])[C@H]1C ZINC000106885949 560893963 /nfs/dbraw/zinc/89/39/63/560893963.db2.gz VHVUAEJKKIEIIE-HYFFOGBASA-N 0 0 408.517 5.441 50 0 HKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])[C@H]1C ZINC000106885951 560894000 /nfs/dbraw/zinc/89/40/00/560894000.db2.gz VHVUAEJKKIEIIE-JLHGSKIFSA-N 0 0 408.517 5.441 50 0 HKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])[C@H]1C ZINC000106886073 560893973 /nfs/dbraw/zinc/89/39/73/560893973.db2.gz LOURYDCJDKMJNK-HYFFOGBASA-N 0 0 424.972 5.956 50 0 HKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2C(=O)[O-])[C@H]1C ZINC000106886076 560893969 /nfs/dbraw/zinc/89/39/69/560893969.db2.gz LOURYDCJDKMJNK-JLHGSKIFSA-N 0 0 424.972 5.956 50 0 HKAARN CC(=O)N(c1nc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)cs1)c1ccc(C)cc1 ZINC000106927971 560894597 /nfs/dbraw/zinc/89/45/97/560894597.db2.gz CMIZEQACXMKMKC-WZONZLPQSA-N 0 0 421.566 5.098 50 0 HKAARN CC(=O)N(c1nc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cs1)c1ccc(C)cc1 ZINC000106927973 560894564 /nfs/dbraw/zinc/89/45/64/560894564.db2.gz CMIZEQACXMKMKC-FDDCHVKYSA-N 0 0 421.566 5.098 50 0 HKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000106937224 560894826 /nfs/dbraw/zinc/89/48/26/560894826.db2.gz RAHRZNVFVOYGDE-NAKRPHOHSA-N 0 0 418.496 5.901 50 0 HKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000106937225 560894796 /nfs/dbraw/zinc/89/47/96/560894796.db2.gz RAHRZNVFVOYGDE-LEAFIULHSA-N 0 0 418.496 5.901 50 0 HKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 ZINC000106937234 560894812 /nfs/dbraw/zinc/89/48/12/560894812.db2.gz QYAZPZSJUGNPES-CVDCTZTESA-N 0 0 404.853 5.311 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Cl ZINC000106937291 560894799 /nfs/dbraw/zinc/89/47/99/560894799.db2.gz GTFQQYYEOOREKG-YLJYHZDGSA-N 0 0 401.318 6.297 50 0 HKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Cl ZINC000106937293 526963883 /nfs/dbraw/zinc/96/38/83/526963883.db2.gz GTFQQYYEOOREKG-FXAWDEMLSA-N 0 0 401.318 6.297 50 0 HKAARN Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000106937364 560894829 /nfs/dbraw/zinc/89/48/29/560894829.db2.gz ZFYRVRUVNSHWPN-RBBKRZOGSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000106937365 560894782 /nfs/dbraw/zinc/89/47/82/560894782.db2.gz ZFYRVRUVNSHWPN-IFMALSPDSA-N 0 0 413.279 6.375 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106938229 560894814 /nfs/dbraw/zinc/89/48/14/560894814.db2.gz SKLIOORIKRLJSM-RBBKRZOGSA-N 0 0 423.285 5.831 50 0 HKAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106938231 526417955 /nfs/dbraw/zinc/41/79/55/526417955.db2.gz SKLIOORIKRLJSM-IFMALSPDSA-N 0 0 423.285 5.831 50 0 HKAARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1 ZINC000106966768 560895024 /nfs/dbraw/zinc/89/50/24/560895024.db2.gz JVSGMSOSDMXHFQ-UHFFFAOYSA-N 0 0 417.940 5.462 50 0 HKAARN COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107040494 560894967 /nfs/dbraw/zinc/89/49/67/560894967.db2.gz IEILEZMNQVDLTD-UHFFFAOYSA-N 0 0 402.321 6.502 50 0 HKAARN Cc1cc(NP(=O)(C=C(Cl)c2ccccc2)C=C(Cl)c2ccccc2)n[nH]1 ZINC000107186427 569381249 /nfs/dbraw/zinc/38/12/49/569381249.db2.gz GMOKCWDLPROPEV-SXQSXHJWSA-N 0 0 418.264 6.883 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)c3ccccc3Cl)C3CCCCC3)n2)cc1 ZINC000107296450 560896182 /nfs/dbraw/zinc/89/61/82/560896182.db2.gz JCAXGBHIHOKSEN-UHFFFAOYSA-N 0 0 423.944 5.716 50 0 HKAARN Cc1ccc(-c2noc(CCN(C(=O)c3ccco3)C3CCCCC3)n2)cc1Cl ZINC000107314304 560896185 /nfs/dbraw/zinc/89/61/85/560896185.db2.gz LUPJJPDMZGWWDX-UHFFFAOYSA-N 0 0 413.905 5.309 50 0 HKAARN Cc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)c1 ZINC000107391813 560896376 /nfs/dbraw/zinc/89/63/76/560896376.db2.gz BLOWSCFCRCRUOO-UHFFFAOYSA-N 0 0 421.884 5.177 50 0 HKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1cnc2ccccc2c1 ZINC000107527388 560896803 /nfs/dbraw/zinc/89/68/03/560896803.db2.gz LVUSFCYNZKSGNN-UHFFFAOYSA-N 0 0 424.426 5.237 50 0 HKAARN O=C(c1ccccc1Cl)N(CCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000107840084 560897200 /nfs/dbraw/zinc/89/72/00/560897200.db2.gz SZERXOYKSNCPIU-UHFFFAOYSA-N 0 0 409.917 5.408 50 0 HKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000107896406 560897227 /nfs/dbraw/zinc/89/72/27/560897227.db2.gz OIQJDCCKLRKESC-FZYGOTEYSA-N 0 0 413.348 6.382 50 0 HKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000107896414 560897209 /nfs/dbraw/zinc/89/72/09/560897209.db2.gz OIQJDCCKLRKESC-OEMPOWLQSA-N 0 0 413.348 6.382 50 0 HKAARN CN(Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064413 560897724 /nfs/dbraw/zinc/89/77/24/560897724.db2.gz YBKRXEMNQHRPKO-NVXWUHKLSA-N 0 0 411.379 5.269 50 0 HKAARN CN(Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064417 560897739 /nfs/dbraw/zinc/89/77/39/560897739.db2.gz YBKRXEMNQHRPKO-WBVHZDCISA-N 0 0 411.379 5.269 50 0 HKAARN CO[C@@H](C)c1nc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 ZINC000108155847 560898137 /nfs/dbraw/zinc/89/81/37/560898137.db2.gz YLCJPWMFEHLYTB-SJORKVTESA-N 0 0 406.555 5.382 50 0 HKAARN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@H]1CCCO1 ZINC000108159608 560898182 /nfs/dbraw/zinc/89/81/82/560898182.db2.gz XVZMJIFRTXELJK-KBAYOESNSA-N 0 0 422.447 5.391 50 0 HKAARN O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000108169365 560898200 /nfs/dbraw/zinc/89/82/00/560898200.db2.gz DCLIFWJAXIUTGS-JFIYKMOQSA-N 0 0 409.917 5.130 50 0 HKAARN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000108169367 560898131 /nfs/dbraw/zinc/89/81/31/560898131.db2.gz DCLIFWJAXIUTGS-SOLBZPMBSA-N 0 0 409.917 5.130 50 0 HKAARN CN(Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339377 568418533 /nfs/dbraw/zinc/41/85/33/568418533.db2.gz YXRUCWONYWOLHZ-RTBURBONSA-N 0 0 405.350 5.207 50 0 HKAARN CN(Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339382 568418599 /nfs/dbraw/zinc/41/85/99/568418599.db2.gz YXRUCWONYWOLHZ-MOPGFXCFSA-N 0 0 405.350 5.207 50 0 HKAARN CC1=C[C@@H](C)[C@@H](C2OCC3(COC([C@H]4[C@@H](C)C=C(C)C[C@@H]4C)OC3)CO2)[C@H](C)C1 ZINC000108537503 568418969 /nfs/dbraw/zinc/41/89/69/568418969.db2.gz JLEHIYGUDHRGOJ-BTMJEWGHSA-N 0 0 404.591 5.195 50 0 biogenic HKAARN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1ccc2ccccc2n1 ZINC000108582382 568419149 /nfs/dbraw/zinc/41/91/49/568419149.db2.gz GJNJIXXRPDOHFE-FLIBITNWSA-N 0 0 409.573 7.272 50 0 HKAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000108950163 568420177 /nfs/dbraw/zinc/42/01/77/568420177.db2.gz NWRFJECEBYIJPQ-HZPDHXFCSA-N 0 0 411.596 5.207 50 0 HKAARN O=C(CCc1ccccc1)N(CCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000109022028 568420779 /nfs/dbraw/zinc/42/07/79/568420779.db2.gz KTVGOXQGCCFMAF-UHFFFAOYSA-N 0 0 403.526 5.073 50 0 HKAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)C3CCCC3)n2)cc1Cl ZINC000109028944 568420774 /nfs/dbraw/zinc/42/07/74/568420774.db2.gz GKMPIGAAQRQCCC-UHFFFAOYSA-N 0 0 423.944 5.460 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1C ZINC000110554718 560880173 /nfs/dbraw/zinc/88/01/73/560880173.db2.gz WWXUKUSAZPUNND-LLGFUMIMSA-N 0 0 401.591 5.379 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1C ZINC000110554722 560880154 /nfs/dbraw/zinc/88/01/54/560880154.db2.gz WWXUKUSAZPUNND-WWMYMODYSA-N 0 0 401.591 5.379 50 0 HKAARN Cc1ncsc1C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000110974246 560888911 /nfs/dbraw/zinc/88/89/11/560888911.db2.gz CVEWHOBPQRANRF-KFSNBYIWSA-N 0 0 413.546 5.888 50 0 HKAARN CCn1cc(Cl)c(C(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1 ZINC000110994835 560889731 /nfs/dbraw/zinc/88/97/31/560889731.db2.gz MLDCEPZAPPDOII-PPCDKBGESA-N 0 0 424.888 5.179 50 0 HKAARN Brc1ccc2c3ccc(Br)cc3n(-c3ccccc3)c2c1 ZINC000113266291 568446963 /nfs/dbraw/zinc/44/69/63/568446963.db2.gz MDXCDMSVFQIDGN-UHFFFAOYSA-N 0 0 401.101 6.309 50 0 HKAARN c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1 ZINC000113427747 569359327 /nfs/dbraw/zinc/35/93/27/569359327.db2.gz GKTLHQFSIDFAJH-UHFFFAOYSA-N 0 0 408.504 8.085 50 0 HKAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)c[nH]2)CC1 ZINC000113543923 559181099 /nfs/dbraw/zinc/18/10/99/559181099.db2.gz DLLYEBNXXOZNAR-UHFFFAOYSA-N 0 0 413.415 5.349 50 0 HKAARN Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000113562140 568453081 /nfs/dbraw/zinc/45/30/81/568453081.db2.gz SFFBEHOYCJMNKK-HXUWFJFHSA-N 0 0 424.909 5.139 50 0 HKAARN CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 ZINC000113563799 568453175 /nfs/dbraw/zinc/45/31/75/568453175.db2.gz YBTWZGTUILLCNZ-HXUWFJFHSA-N 0 0 424.566 5.110 50 0 HKAARN Cc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000113624186 569364503 /nfs/dbraw/zinc/36/45/03/569364503.db2.gz YIZLYJGOEIDGMD-CYBMUJFWSA-N 0 0 401.260 5.722 50 0 HKAARN CC(C)(C)OC(=O)N1CCN(CC2=C(c3ccc(Cl)cc3)CC(C)(C)CC2)CC1 ZINC000114017782 569359239 /nfs/dbraw/zinc/35/92/39/569359239.db2.gz ZGQXNVGCEUEJOC-UHFFFAOYSA-N 0 0 419.009 5.856 50 0 HKAARN FC(F)(F)Oc1c(Cl)cc(C(Br)Br)cc1Cl ZINC000114359779 558886225 /nfs/dbraw/zinc/88/62/25/558886225.db2.gz VGHMAPJBMZRNDT-UHFFFAOYSA-N 0 0 402.819 5.680 50 0 HKAARN Brc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1 ZINC000114582697 568454007 /nfs/dbraw/zinc/45/40/07/568454007.db2.gz ZUNLPNWEQKBULG-UHFFFAOYSA-N 0 0 401.101 6.309 50 0 HKAARN Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnc4)CC3)c2)nc1 ZINC000115027257 569396384 /nfs/dbraw/zinc/39/63/84/569396384.db2.gz PZCULUGUWUCJHA-UHFFFAOYSA-N 0 0 400.482 5.289 50 0 HKAARN CCCC[C@@H](CC)CC1(C[C@@H](CC)CCCC)c2ccsc2-c2sccc21 ZINC000115854377 569030506 /nfs/dbraw/zinc/03/05/06/569030506.db2.gz NUCIQEWGTLOQTR-BGYRXZFFSA-N 0 0 402.713 9.289 50 0 HKAARN CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2ccsc2-c2sccc21 ZINC000115854381 569030463 /nfs/dbraw/zinc/03/04/63/569030463.db2.gz NUCIQEWGTLOQTR-PMACEKPBSA-N 0 0 402.713 9.289 50 0 HKAARN CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2ccsc2-c2sccc21 ZINC000115854384 569030464 /nfs/dbraw/zinc/03/04/64/569030464.db2.gz NUCIQEWGTLOQTR-WOJBJXKFSA-N 0 0 402.713 9.289 50 0 HKAARN CCOC(=O)/C(C)=C/[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000117495771 569039309 /nfs/dbraw/zinc/03/93/09/569039309.db2.gz QOCQMJHAWNNWAV-BKELBIJQSA-N 0 0 409.526 5.299 50 0 HKAARN CCOC(=O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000117838496 559032432 /nfs/dbraw/zinc/03/24/32/559032432.db2.gz ONLALSUKFZIEHF-UHFFFAOYSA-N 0 0 410.517 5.219 50 0 HKAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(F)cc(Br)cc1F ZINC000118762645 569359376 /nfs/dbraw/zinc/35/93/76/569359376.db2.gz GSXWOVWEYBFNOM-UHFFFAOYSA-N 0 0 408.239 5.404 50 0 HKAARN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000118913232 569052319 /nfs/dbraw/zinc/05/23/19/569052319.db2.gz WQLVFSAGQJTQCK-FIBXIUFESA-N 0 0 414.630 5.714 50 0 HKAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000118913600 559205211 /nfs/dbraw/zinc/20/52/11/559205211.db2.gz GMBQZIIUCVWOCD-DGBDVICSSA-N 0 0 416.646 5.794 50 0 HKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915732 559205519 /nfs/dbraw/zinc/20/55/19/559205519.db2.gz AMNBDMZNFAQUHN-BLJSXKPHSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915733 559205551 /nfs/dbraw/zinc/20/55/51/559205551.db2.gz AMNBDMZNFAQUHN-VXUDVMKUSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915734 559205502 /nfs/dbraw/zinc/20/55/02/559205502.db2.gz AMNBDMZNFAQUHN-NKMCXGMGSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915735 559205496 /nfs/dbraw/zinc/20/54/96/559205496.db2.gz AMNBDMZNFAQUHN-FACHFCRYSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915826 559205529 /nfs/dbraw/zinc/20/55/29/559205529.db2.gz QGVHXFRFMBIZJE-LEGGPIDXSA-N 0 0 422.653 7.581 50 0 HKAARN CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915827 559205493 /nfs/dbraw/zinc/20/54/93/559205493.db2.gz QGVHXFRFMBIZJE-QNVHSZPASA-N 0 0 422.653 7.581 50 0 HKAARN CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915828 559205552 /nfs/dbraw/zinc/20/55/52/559205552.db2.gz QGVHXFRFMBIZJE-NPOCSILLSA-N 0 0 422.653 7.581 50 0 HKAARN CC(C)(C)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915829 559205500 /nfs/dbraw/zinc/20/55/00/559205500.db2.gz QGVHXFRFMBIZJE-SJSYQREJSA-N 0 0 422.653 7.581 50 0 HKAARN C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CCCCO2 ZINC000118915955 559205628 /nfs/dbraw/zinc/20/56/28/559205628.db2.gz CPAQRVPTPVTARH-GJTJVSDJSA-N 0 0 400.603 5.468 50 0 HKAARN C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CCCCO2 ZINC000118915956 559205641 /nfs/dbraw/zinc/20/56/41/559205641.db2.gz CPAQRVPTPVTARH-CJYQDBEMSA-N 0 0 400.603 5.468 50 0 HKAARN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CCCCO2 ZINC000118915957 559205644 /nfs/dbraw/zinc/20/56/44/559205644.db2.gz CPAQRVPTPVTARH-UGOJOARYSA-N 0 0 400.603 5.468 50 0 HKAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CCCCO2 ZINC000118915958 559205635 /nfs/dbraw/zinc/20/56/35/559205635.db2.gz CPAQRVPTPVTARH-WKYNNBDQSA-N 0 0 400.603 5.468 50 0 HKAARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000118916300 559205654 /nfs/dbraw/zinc/20/56/54/559205654.db2.gz MDGYGSZQYJUTBN-OASCBUGXSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000118916301 559205640 /nfs/dbraw/zinc/20/56/40/559205640.db2.gz MDGYGSZQYJUTBN-QLXCEFLJSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000118916302 559205636 /nfs/dbraw/zinc/20/56/36/559205636.db2.gz MDGYGSZQYJUTBN-QNWKPDFTSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000118916303 559205631 /nfs/dbraw/zinc/20/56/31/559205631.db2.gz MDGYGSZQYJUTBN-WALWWPRXSA-N 0 0 408.582 5.373 50 0 HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918966 559205799 /nfs/dbraw/zinc/20/57/99/559205799.db2.gz HONOKMUVEQPOAM-RPWQORLESA-N 0 0 412.614 6.256 50 0 biogenic HKAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000120413145 568929354 /nfs/dbraw/zinc/92/93/54/568929354.db2.gz GMBQZIIUCVWOCD-SGKIHABASA-N 0 0 416.646 5.794 50 0 HKAARN Nc1oc(SC(c2ccccc2)c2ccccc2)nc(=O)c1Cc1ccccc1 ZINC000135737059 559221291 /nfs/dbraw/zinc/22/12/91/559221291.db2.gz HTSZELMUISLORC-UHFFFAOYSA-N 0 0 400.503 5.332 50 0 HKAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4-c4ccccc4)cc3)C(=O)[C@H]21 ZINC000136082195 569359252 /nfs/dbraw/zinc/35/92/52/569359252.db2.gz KZMHYXGGGZOKJC-MQVPCNEGSA-N 0 0 409.485 5.848 50 0 HKAARN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c(C)c1 ZINC000136546857 560598497 /nfs/dbraw/zinc/59/84/97/560598497.db2.gz DFQXSXPRPJMBGK-ASDGIDEWSA-N 0 0 421.540 5.855 50 0 HKAARN CCNc1cc2c(cc1C)[C@H](c1ccccc1C(=O)[O-])[C@@H]1C=C(C)C(=[NH+]CC)C=C1N2 ZINC000136554714 560600845 /nfs/dbraw/zinc/60/08/45/560600845.db2.gz AZFZSBLDGUKXMU-KBMIEXCESA-N 0 0 415.537 5.413 50 0 HKAARN CCNc1cc2c(cc1C)[C@@H](c1ccccc1C(=O)[O-])[C@@H]1C=C(C)C(=[NH+]CC)C=C1N2 ZINC000136554771 560600835 /nfs/dbraw/zinc/60/08/35/560600835.db2.gz AZFZSBLDGUKXMU-CLOONOSVSA-N 0 0 415.537 5.413 50 0 HKAARN CCNc1cc2c(cc1C)[C@H](c1ccccc1C(=O)[O-])[C@H]1C=C(C)C(=[NH+]CC)C=C1N2 ZINC000136554826 560600839 /nfs/dbraw/zinc/60/08/39/560600839.db2.gz AZFZSBLDGUKXMU-UQBPGWFLSA-N 0 0 415.537 5.413 50 0 HKAARN Cc1ccc2c(c1)-c1c([nH]n(-c3ccc(-c4ccccc4)cc3)c1=S)C(C)(C)S2 ZINC000137070453 568828302 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SJNIVTYTKCEORH-QHCPKHFHSA-N 0 0 408.505 5.008 50 0 HKAARN O=C(Oc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000139590657 559288985 /nfs/dbraw/zinc/28/89/85/559288985.db2.gz AEWRAAQRIIQUBD-HSZRJFAPSA-N 0 0 406.913 5.246 50 0 HKAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)cc2)n1)NC1CCCCC1 ZINC000139967737 558584578 /nfs/dbraw/zinc/58/45/78/558584578.db2.gz ZZQJENAXMCHSLB-UHFFFAOYSA-N 0 0 410.518 5.054 50 0 HKAARN FC1(F)c2cc(Br)ccc2-c2ccc(I)cc21 ZINC000141227480 569368896 /nfs/dbraw/zinc/36/88/96/569368896.db2.gz DKSYLEFLMUQPDJ-UHFFFAOYSA-N 0 0 406.995 5.174 50 0 HKAARN CCOC(=O)/C(C)=C\[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000144700583 569359519 /nfs/dbraw/zinc/35/95/19/569359519.db2.gz QOCQMJHAWNNWAV-KNIWAEIXSA-N 0 0 409.526 5.299 50 0 HKAARN CCOC(=O)/C(C)=C\[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000144700813 569359524 /nfs/dbraw/zinc/35/95/24/569359524.db2.gz QOCQMJHAWNNWAV-APQDCOLYSA-N 0 0 409.526 5.299 50 0 HKAARN CCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21 ZINC000145275011 569355165 /nfs/dbraw/zinc/35/51/65/569355165.db2.gz YSUUFISKPJBPOH-UHFFFAOYSA-N 0 0 409.165 6.900 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000146651230 560554725 /nfs/dbraw/zinc/55/47/25/560554725.db2.gz RXCPGOPMUMFWIZ-AVRDEDQJSA-N 0 0 410.926 6.043 50 0 HKAARN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000149128621 569355170 /nfs/dbraw/zinc/35/51/70/569355170.db2.gz FVQBRDRAILXTMJ-UHFFFAOYSA-N 0 0 419.915 7.193 50 0 HKAARN CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1cccc(I)c1 ZINC000149459632 558827056 /nfs/dbraw/zinc/82/70/56/558827056.db2.gz WRNXLHIYRDHKFU-UHFFFAOYSA-N 0 0 423.294 5.229 50 0 HKAARN COc1ccc(N(C(=O)OC(C)(C)C)C(=O)c2sccc2Br)cc1 ZINC000149964953 569359513 /nfs/dbraw/zinc/35/95/13/569359513.db2.gz ARKMQBSFQKPNQS-UHFFFAOYSA-N 0 0 412.305 5.101 50 0 HKAARN CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000167925252 560758827 /nfs/dbraw/zinc/75/88/27/560758827.db2.gz WYDOYBRGEXKRFI-UECWXEIQSA-N 0 0 406.570 5.978 50 0 HKAARN COc1ccc([C@H]2C[C@@]23CCC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000169330299 569067560 /nfs/dbraw/zinc/06/75/60/569067560.db2.gz NSCNIUYSTKSCBT-RHPRIJEOSA-N 0 0 422.521 5.122 50 0 HKAARN c1ccc([C@@]23O[C@@](c4ccccc4)(c4ccccc42)[C@@H]2c4cccc5cccc(c45)[C@@H]23)cc1 ZINC000169615913 560764897 /nfs/dbraw/zinc/76/48/97/560764897.db2.gz SAYUJFQTOWSBFN-UTRLAFKGSA-N 0 0 422.527 7.252 50 0 HKAARN CC1C[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)[C@@H](C)C1 ZINC000169619791 569039104 /nfs/dbraw/zinc/03/91/04/569039104.db2.gz FAEDTXFSFBXMCZ-MRHSLFKSSA-N 0 0 420.479 5.193 50 0 HKAARN Cn1c2ccccc2c2ccc(/C=C\[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc21 ZINC000169620201 569105358 /nfs/dbraw/zinc/10/53/58/569105358.db2.gz OYNKVBUPJLYCAH-CKFLREPLSA-N 0 0 421.544 5.359 50 0 HKAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000169621006 569039163 /nfs/dbraw/zinc/03/91/63/569039163.db2.gz TUYCVRTUFAKYRA-ONBPZOJHSA-N 0 0 408.884 6.224 50 0 HKAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000169621008 569039158 /nfs/dbraw/zinc/03/91/58/569039158.db2.gz TUYCVRTUFAKYRA-NLJOTIRTSA-N 0 0 408.884 6.224 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C\c3ccc(Cl)cc3)c21 ZINC000169621061 569105800 /nfs/dbraw/zinc/10/58/00/569105800.db2.gz QRWRYXXMXYBSTM-SDNSPUJVSA-N 0 0 418.968 7.194 50 0 HKAARN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C\c3ccccc3)c21 ZINC000169621065 569105792 /nfs/dbraw/zinc/10/57/92/569105792.db2.gz MIVRGYYYCUHJCD-KXNMYIQESA-N 0 0 418.968 7.194 50 0 HKAARN O[C@H](C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000169677100 560765285 /nfs/dbraw/zinc/76/52/85/560765285.db2.gz XOZTZVWOEUGXCB-UKILVPOCSA-N 0 0 420.940 5.069 50 0 HKAARN Cc1cc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)ccc1Br ZINC000169677405 560765305 /nfs/dbraw/zinc/76/53/05/560765305.db2.gz FSXQHQJPRBZGMX-INIZCTEOSA-N 0 0 422.322 5.731 50 0 HKAARN Cc1cc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)ccc1Br ZINC000169677407 560765332 /nfs/dbraw/zinc/76/53/32/560765332.db2.gz FSXQHQJPRBZGMX-MRXNPFEDSA-N 0 0 422.322 5.731 50 0 HKAARN C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000169677628 560765325 /nfs/dbraw/zinc/76/53/25/560765325.db2.gz REACVQCBRXOSLI-OPAMFIHVSA-N 0 0 413.924 5.031 50 0 HKAARN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000169678420 569126834 /nfs/dbraw/zinc/12/68/34/569126834.db2.gz DEFURSBLGQMRTJ-JJDSTIRJSA-N 0 0 409.961 5.859 50 0 HKAARN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000169678421 569126823 /nfs/dbraw/zinc/12/68/23/569126823.db2.gz DEFURSBLGQMRTJ-WOYCLPQFSA-N 0 0 409.961 5.859 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(Br)c1 ZINC000169678557 560765293 /nfs/dbraw/zinc/76/52/93/560765293.db2.gz BWNAZAWQUGLOEV-RRMPHLOHSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(Br)c1 ZINC000169678558 560765280 /nfs/dbraw/zinc/76/52/80/560765280.db2.gz BWNAZAWQUGLOEV-UQASEVPWSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc(Br)cc1 ZINC000169678601 560765335 /nfs/dbraw/zinc/76/53/35/560765335.db2.gz ONNBSYIGYVFIKL-RRMPHLOHSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc(Br)cc1 ZINC000169678602 560765283 /nfs/dbraw/zinc/76/52/83/560765283.db2.gz ONNBSYIGYVFIKL-UQASEVPWSA-N 0 0 403.316 5.612 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc2oc3ccccc3c2c1 ZINC000169678603 560765302 /nfs/dbraw/zinc/76/53/02/560765302.db2.gz BWCLFDYZBYENDD-QUYYBVGASA-N 0 0 414.501 6.749 50 0 HKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc2oc3ccccc3c2c1 ZINC000169678604 560765275 /nfs/dbraw/zinc/76/52/75/560765275.db2.gz BWCLFDYZBYENDD-XMFBKKLCSA-N 0 0 414.501 6.749 50 0 HKAARN O=C(Nc1nc(-c2ccccc2)c2c(-c3ccccc3)ccnn12)Nc1ccccc1 ZINC000169681447 569127499 /nfs/dbraw/zinc/12/74/99/569127499.db2.gz 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5.667 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000169685668 569135552 /nfs/dbraw/zinc/13/55/52/569135552.db2.gz NUQQREBLRDQQNU-DHLKQENFSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685672 569135626 /nfs/dbraw/zinc/13/56/26/569135626.db2.gz RCKANDCEXXTAHE-URXFXBBRSA-N 0 0 406.432 5.606 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685673 569135640 /nfs/dbraw/zinc/13/56/40/569135640.db2.gz HLJZQDKEDAJTRD-URXFXBBRSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685674 569135582 /nfs/dbraw/zinc/13/55/82/569135582.db2.gz FPJWGCLBAQHMAD-DHLKQENFSA-N 0 0 418.468 5.475 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685678 569135594 /nfs/dbraw/zinc/13/55/94/569135594.db2.gz CZRHEJYNSYDFIT-REWPJTCUSA-N 0 0 405.885 5.376 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685680 569135628 /nfs/dbraw/zinc/13/56/28/569135628.db2.gz KTOYHMFQSXAHEV-REWPJTCUSA-N 0 0 407.420 5.001 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685687 569135618 /nfs/dbraw/zinc/13/56/18/569135618.db2.gz KQGVEFJJIXINKF-CVDCTZTESA-N 0 0 406.507 5.643 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685693 569135670 /nfs/dbraw/zinc/13/56/70/569135670.db2.gz WCNKEJMSOOHATO-RDPSFJRHSA-N 0 0 404.466 5.238 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685694 569135685 /nfs/dbraw/zinc/13/56/85/569135685.db2.gz AAODJBCTRNJBEK-CVDCTZTESA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685695 569135709 /nfs/dbraw/zinc/13/57/09/569135709.db2.gz NGTNILZZVZVIOU-CVDCTZTESA-N 0 0 408.885 5.882 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685698 569135718 /nfs/dbraw/zinc/13/57/18/569135718.db2.gz FOEKZMRTFDMFFI-CVDCTZTESA-N 0 0 410.420 5.507 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000169685714 569135683 /nfs/dbraw/zinc/13/56/83/569135683.db2.gz BQCWCNGIGXXZKR-CVDCTZTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@@H]21 ZINC000169685717 569135681 /nfs/dbraw/zinc/13/56/81/569135681.db2.gz UPPKTVKHZPEGSO-AVRDEDQJSA-N 0 0 410.926 6.043 50 0 HKAARN COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685719 569135695 /nfs/dbraw/zinc/13/56/95/569135695.db2.gz ANUNKTQPZZSPEX-REWPJTCUSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169685720 569135657 /nfs/dbraw/zinc/13/56/57/569135657.db2.gz VFMASGKEFJSPMY-REWPJTCUSA-N 0 0 410.395 5.355 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169689070 569135649 /nfs/dbraw/zinc/13/56/49/569135649.db2.gz PYHRESQXTDAVMZ-RDPSFJRHSA-N 0 0 420.534 5.951 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169689919 569135979 /nfs/dbraw/zinc/13/59/79/569135979.db2.gz LLRGCXNJMOOSRO-REWPJTCUSA-N 0 0 405.885 5.376 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000169711433 569141338 /nfs/dbraw/zinc/14/13/38/569141338.db2.gz JTEQEMVOLOOFEG-URXFXBBRSA-N 0 0 422.887 6.120 50 0 HKAARN COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000169713138 569144586 /nfs/dbraw/zinc/14/45/86/569144586.db2.gz NOMTWUMCHPXIDQ-REWPJTCUSA-N 0 0 408.860 5.730 50 0 HKAARN Brc1ccc2c(c1)-c1cc3c(cc1=N2)-c1cc(Br)ccc1N=3 ZINC000169725886 560765733 /nfs/dbraw/zinc/76/57/33/560765733.db2.gz MCBADHLJNYYFMZ-UHFFFAOYSA-N 0 0 412.084 5.075 50 0 HKAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2ccc(Br)cc2n1 ZINC000169726164 560765735 /nfs/dbraw/zinc/76/57/35/560765735.db2.gz FUQLBDUAXARQAS-UHFFFAOYSA-N 0 0 424.295 5.069 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000169754698 571038819 /nfs/dbraw/zinc/03/88/19/571038819.db2.gz ZMGFWLUBHRCRRV-UHFFFAOYSA-N 0 0 421.516 5.268 50 0 HKAARN CCCCOc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000169754859 560765850 /nfs/dbraw/zinc/76/58/50/560765850.db2.gz STEDCXYIFIXXRQ-UHFFFAOYSA-N 0 0 419.525 5.010 50 0 HKAARN CCc1ccc(N2C[C@@H](c3noc(-c4ccc(-c5ccccc5)cc4)n3)CC2=O)cc1 ZINC000169755406 569160494 /nfs/dbraw/zinc/16/04/94/569160494.db2.gz SZPOOEKLKOFXSH-QFIPXVFZSA-N 0 0 409.489 5.487 50 0 HKAARN CCc1ccc(N2C[C@H](c3noc(-c4ccc(-c5ccccc5)cc4)n3)CC2=O)cc1 ZINC000169755407 569160450 /nfs/dbraw/zinc/16/04/50/569160450.db2.gz SZPOOEKLKOFXSH-JOCHJYFZSA-N 0 0 409.489 5.487 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000169755748 569160555 /nfs/dbraw/zinc/16/05/55/569160555.db2.gz XITXZOYHWMBACK-UHFFFAOYSA-N 0 0 403.526 5.129 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169759520 569161334 /nfs/dbraw/zinc/16/13/34/569161334.db2.gz ZLQKKJLGZQGPOJ-HXUWFJFHSA-N 0 0 422.960 5.036 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169759521 569161322 /nfs/dbraw/zinc/16/13/22/569161322.db2.gz ZLQKKJLGZQGPOJ-FQEVSTJZSA-N 0 0 422.960 5.036 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169759784 569161844 /nfs/dbraw/zinc/16/18/44/569161844.db2.gz IYUZXBGBTXPEBW-IBGZPJMESA-N 0 0 402.281 5.022 50 0 HKAARN Cc1c(Cl)cccc1NC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169759785 569161847 /nfs/dbraw/zinc/16/18/47/569161847.db2.gz IYUZXBGBTXPEBW-LJQANCHMSA-N 0 0 402.281 5.022 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c(Cl)c1 ZINC000169759788 569161849 /nfs/dbraw/zinc/16/18/49/569161849.db2.gz IVIJBFMMQRCKRN-IBGZPJMESA-N 0 0 402.281 5.022 50 0 HKAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c(Cl)c1 ZINC000169759789 569161867 /nfs/dbraw/zinc/16/18/67/569161867.db2.gz IVIJBFMMQRCKRN-LJQANCHMSA-N 0 0 402.281 5.022 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169760324 569161745 /nfs/dbraw/zinc/16/17/45/569161745.db2.gz QWJJNDGSUJXAKU-SFHVURJKSA-N 0 0 422.699 5.367 50 0 HKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169760325 569161694 /nfs/dbraw/zinc/16/16/94/569161694.db2.gz QWJJNDGSUJXAKU-GOSISDBHSA-N 0 0 422.699 5.367 50 0 HKAARN CN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766065 560766074 /nfs/dbraw/zinc/76/60/74/560766074.db2.gz YRKKAYBEBBJYDP-IBGZPJMESA-N 0 0 418.324 5.038 50 0 HKAARN CN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766067 560766085 /nfs/dbraw/zinc/76/60/85/560766085.db2.gz YRKKAYBEBBJYDP-LJQANCHMSA-N 0 0 418.324 5.038 50 0 HKAARN CCN1c2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766411 569166728 /nfs/dbraw/zinc/16/67/28/569166728.db2.gz VJDPIVSTRASHPS-QHCPKHFHSA-N 0 0 405.542 5.245 50 0 HKAARN CCN1c2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766413 569166760 /nfs/dbraw/zinc/16/67/60/569166760.db2.gz VJDPIVSTRASHPS-HSZRJFAPSA-N 0 0 405.542 5.245 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766502 569166761 /nfs/dbraw/zinc/16/67/61/569166761.db2.gz NOTHWFQKYPUPLN-NRFANRHFSA-N 0 0 411.933 5.083 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766504 569166774 /nfs/dbraw/zinc/16/67/74/569166774.db2.gz NOTHWFQKYPUPLN-OAQYLSRUSA-N 0 0 411.933 5.083 50 0 HKAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772714 569172074 /nfs/dbraw/zinc/17/20/74/569172074.db2.gz WTNNVNFQNVGDLA-QHCPKHFHSA-N 0 0 420.553 5.171 50 0 HKAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772715 569172057 /nfs/dbraw/zinc/17/20/57/569172057.db2.gz WTNNVNFQNVGDLA-HSZRJFAPSA-N 0 0 420.553 5.171 50 0 HKAARN O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772740 569172033 /nfs/dbraw/zinc/17/20/33/569172033.db2.gz DXIZVKIMOHSXFU-DEOSSOPVSA-N 0 0 416.565 5.188 50 0 HKAARN O=C(NC1CCCCC1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772741 569172000 /nfs/dbraw/zinc/17/20/00/569172000.db2.gz DXIZVKIMOHSXFU-XMMPIXPASA-N 0 0 416.565 5.188 50 0 HKAARN Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CCCc4c5cccc(Cl)c5[nH]c43)c12 ZINC000169774026 569172786 /nfs/dbraw/zinc/17/27/86/569172786.db2.gz ZXIDOGFFVPNQET-QGZVFWFLSA-N 0 0 422.916 5.597 50 0 HKAARN Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CCCc4c5cccc(Cl)c5[nH]c43)c12 ZINC000169774027 569172780 /nfs/dbraw/zinc/17/27/80/569172780.db2.gz ZXIDOGFFVPNQET-KRWDZBQOSA-N 0 0 422.916 5.597 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780462 569174183 /nfs/dbraw/zinc/17/41/83/569174183.db2.gz OUBUZMVERSGCCG-QHCPKHFHSA-N 0 0 405.542 5.245 50 0 HKAARN CCN1c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780463 569174177 /nfs/dbraw/zinc/17/41/77/569174177.db2.gz OUBUZMVERSGCCG-HSZRJFAPSA-N 0 0 405.542 5.245 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000169782464 569176649 /nfs/dbraw/zinc/17/66/49/569176649.db2.gz LLLJNCZKNMHDGG-GIHONLOASA-N 0 0 424.610 5.189 50 0 HKAARN C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000169793672 569180631 /nfs/dbraw/zinc/18/06/31/569180631.db2.gz KTCXDIGJYUOQBJ-UHFFFAOYSA-N 0 0 414.624 8.009 50 0 HKAARN CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21 ZINC000169794005 560766357 /nfs/dbraw/zinc/76/63/57/560766357.db2.gz QTQVRRVKABLKLH-UHFFFAOYSA-N 0 0 401.368 5.060 50 0 HKAARN COc1ccc([Si](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000169816043 569013241 /nfs/dbraw/zinc/01/32/41/569013241.db2.gz MESQQYBRLHXUCL-UHFFFAOYSA-N 0 0 408.617 5.697 50 0 HKAARN Cc1ccc2c(c1)[Si](Cc1ccccc1)(Cc1ccccc1)c1cc(C)ccc1N2C ZINC000169816536 569013250 /nfs/dbraw/zinc/01/32/50/569013250.db2.gz VLSRSVFVBJRDFN-UHFFFAOYSA-N 0 0 419.644 5.512 50 0 HKAARN c1ccc(CC[Si](CCc2ccccc2)(CCc2ccccc2)c2ccccc2)cc1 ZINC000169817311 569013289 /nfs/dbraw/zinc/01/32/89/569013289.db2.gz XRRLEJSUSAIMFQ-UHFFFAOYSA-N 0 0 420.672 7.071 50 0 HKAARN C[Si](C)(C1c2ccccc2Oc2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000169817375 569013288 /nfs/dbraw/zinc/01/32/88/569013288.db2.gz CIBQHMZUSJLHNN-UHFFFAOYSA-N 0 0 420.584 7.649 50 0 HKAARN CC[Si](CC)(CC)N(c1ccccc1)N(c1ccccc1)[Si](CC)(CC)CC ZINC000169817442 569013287 /nfs/dbraw/zinc/01/32/87/569013287.db2.gz UHSZLHCLFIVVSP-UHFFFAOYSA-N 0 0 412.770 7.925 50 0 HKAARN COc1ccc2c(CC(=O)Nc3c(Cl)cc(F)cc3Br)coc2c1 ZINC000170591105 569240636 /nfs/dbraw/zinc/24/06/36/569240636.db2.gz ONPVOXKXQUTQTM-UHFFFAOYSA-N 0 0 412.642 5.178 50 0 HKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000170592933 569241072 /nfs/dbraw/zinc/24/10/72/569241072.db2.gz YHKBKINCXATXNJ-UHFFFAOYSA-N 0 0 413.974 6.216 50 0 HKAARN CC(C)N(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(Nc2ccccc2)cc1 ZINC000170593156 569241075 /nfs/dbraw/zinc/24/10/75/569241075.db2.gz SANBXJDAYPCRHD-UHFFFAOYSA-N 0 0 417.534 5.530 50 0 HKAARN COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(C)s2)n1-c1ccc(C)cc1 ZINC000170594240 569241276 /nfs/dbraw/zinc/24/12/76/569241276.db2.gz KHOZDYOSYCMWLR-AWEZNQCLSA-N 0 0 423.567 5.265 50 0 HKAARN COc1ccccc1-c1nnc(S[C@H](C)c2nnc(C)s2)n1-c1ccc(C)cc1 ZINC000170594241 569241275 /nfs/dbraw/zinc/24/12/75/569241275.db2.gz KHOZDYOSYCMWLR-CQSZACIVSA-N 0 0 423.567 5.265 50 0 HKAARN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc(C2SCCCS2)cc1 ZINC000170595183 569241471 /nfs/dbraw/zinc/24/14/71/569241471.db2.gz SYPSAWSANPZBNY-UHFFFAOYSA-N 0 0 409.580 5.170 50 0 HKAARN CN(CCc1nccs1)C(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000170596147 569241843 /nfs/dbraw/zinc/24/18/43/569241843.db2.gz FWAAXTXLAVIUDG-UHFFFAOYSA-N 0 0 406.935 5.402 50 0 HKAARN COc1cccc2cc([C@H](C)NC(=O)c3c(C)nn(C)c3Sc3ccccc3)oc21 ZINC000170596704 569241803 /nfs/dbraw/zinc/24/18/03/569241803.db2.gz AKJSFVCDCSACOC-AWEZNQCLSA-N 0 0 421.522 5.126 50 0 HKAARN COc1cccc2cc([C@@H](C)NC(=O)c3c(C)nn(C)c3Sc3ccccc3)oc21 ZINC000170596705 569241743 /nfs/dbraw/zinc/24/17/43/569241743.db2.gz AKJSFVCDCSACOC-CQSZACIVSA-N 0 0 421.522 5.126 50 0 HKAARN O=C(Oc1ccc(Br)cc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000170597253 569242082 /nfs/dbraw/zinc/24/20/82/569242082.db2.gz NSXRBPBCGZGJMM-GFCCVEGCSA-N 0 0 419.250 5.108 50 0 HKAARN O=C(Oc1ccc(Br)cc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000170597254 569242118 /nfs/dbraw/zinc/24/21/18/569242118.db2.gz NSXRBPBCGZGJMM-LBPRGKRZSA-N 0 0 419.250 5.108 50 0 HKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1Cc1cccnc1 ZINC000170597728 569242230 /nfs/dbraw/zinc/24/22/30/569242230.db2.gz HIFGKPQGIBGBHE-UHFFFAOYSA-N 0 0 421.294 5.742 50 0 HKAARN Clc1ccccc1OCc1nnc(SCc2ccncc2Cl)n1C1CC1 ZINC000170598585 569242582 /nfs/dbraw/zinc/24/25/82/569242582.db2.gz LDKMQAXJKKUWPC-UHFFFAOYSA-N 0 0 407.326 5.186 50 0 HKAARN CCCN(C(=O)c1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000170598913 569242687 /nfs/dbraw/zinc/24/26/87/569242687.db2.gz GOEKUFJEQDFPRX-GOSISDBHSA-N 0 0 402.922 5.072 50 0 HKAARN CCCN(C(=O)c1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000170598914 569242697 /nfs/dbraw/zinc/24/26/97/569242697.db2.gz GOEKUFJEQDFPRX-SFHVURJKSA-N 0 0 402.922 5.072 50 0 HKAARN Cc1cc(C)c(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000170600033 569242817 /nfs/dbraw/zinc/24/28/17/569242817.db2.gz KTHYTZPADAANFL-GOSISDBHSA-N 0 0 408.489 5.953 50 0 HKAARN Cc1cc(C)c(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000170600034 569242870 /nfs/dbraw/zinc/24/28/70/569242870.db2.gz KTHYTZPADAANFL-SFHVURJKSA-N 0 0 408.489 5.953 50 0 HKAARN CC(C)(C)c1cnc(CCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000170600211 569242996 /nfs/dbraw/zinc/24/29/96/569242996.db2.gz XQMHEWHIRDKZMY-UHFFFAOYSA-N 0 0 415.921 5.106 50 0 HKAARN CC(C)N(c1nc(Cl)c(C(=O)Nc2ccccc2Cl)c(Cl)n1)C(C)C ZINC000170600402 569242957 /nfs/dbraw/zinc/24/29/57/569242957.db2.gz WRSONCYMONMLLI-UHFFFAOYSA-N 0 0 401.725 5.312 50 0 HKAARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)c1nnc(-c2ccccc2F)s1 ZINC000170600467 569243002 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Cc1oc(-c2cccs2)nc1C[S@](=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000170602924 569243860 /nfs/dbraw/zinc/24/38/60/569243860.db2.gz BMBPXYGDRMNHPH-HHHXNRCGSA-N 0 0 418.927 5.469 50 0 HKAARN C[C@H](Nc1ccc(-c2nnc(Br)o2)cc1)c1ccc(OC(F)F)cc1 ZINC000170603402 569244078 /nfs/dbraw/zinc/24/40/78/569244078.db2.gz VOWWBYIWVXJFSG-JTQLQIEISA-N 0 0 410.218 5.274 50 0 HKAARN C[C@@H](Nc1ccc(-c2nnc(Br)o2)cc1)c1ccc(OC(F)F)cc1 ZINC000170603403 569244055 /nfs/dbraw/zinc/24/40/55/569244055.db2.gz VOWWBYIWVXJFSG-SNVBAGLBSA-N 0 0 410.218 5.274 50 0 HKAARN Brc1ccccc1-c1nnc(SC[C@@H]2CCC3(CCCCC3)O2)o1 ZINC000170604446 569243924 /nfs/dbraw/zinc/24/39/24/569243924.db2.gz DEQGCACSJZQEPO-ZDUSSCGKSA-N 0 0 409.349 5.473 50 0 HKAARN Brc1ccccc1-c1nnc(SC[C@H]2CCC3(CCCCC3)O2)o1 ZINC000170604447 569243986 /nfs/dbraw/zinc/24/39/86/569243986.db2.gz DEQGCACSJZQEPO-CYBMUJFWSA-N 0 0 409.349 5.473 50 0 HKAARN CN(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C(F)(F)F)c1 ZINC000170604950 569243947 /nfs/dbraw/zinc/24/39/47/569243947.db2.gz 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O=C(CSc1nc2ccccc2s1)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206897793 560749126 /nfs/dbraw/zinc/74/91/26/560749126.db2.gz VBJKBXUBZRPOOM-UHFFFAOYSA-N 0 0 416.531 5.342 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206897917 560749118 /nfs/dbraw/zinc/74/91/18/560749118.db2.gz UXTJSFWSGGKPSB-UHFFFAOYSA-N 0 0 416.531 5.747 50 0 HKAARN Cc1cccn2cc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3Cl)nc12 ZINC000206900991 560749150 /nfs/dbraw/zinc/74/91/50/560749150.db2.gz RQJALXDTGDRARG-MRXNPFEDSA-N 0 0 405.885 5.369 50 0 HKAARN Cc1cccn2cc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3Cl)nc12 ZINC000206901032 560749161 /nfs/dbraw/zinc/74/91/61/560749161.db2.gz RQJALXDTGDRARG-INIZCTEOSA-N 0 0 405.885 5.369 50 0 HKAARN O=C(NCc1cncc(-c2ccsc2)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000206947016 560749842 /nfs/dbraw/zinc/74/98/42/560749842.db2.gz ZLXMRPAWMXCANK-UHFFFAOYSA-N 0 0 411.486 5.548 50 0 HKAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000206986805 560752610 /nfs/dbraw/zinc/75/26/10/560752610.db2.gz 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O=C(CC(c1ccccc1)c1ccccc1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208040151 569289944 /nfs/dbraw/zinc/28/99/44/569289944.db2.gz XQEDHZUCTPABKY-VWLOTQADSA-N 0 0 401.575 5.915 50 0 HKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208040188 569289957 /nfs/dbraw/zinc/28/99/57/569289957.db2.gz XQEDHZUCTPABKY-RUZDIDTESA-N 0 0 401.575 5.915 50 0 HKAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208042068 569290607 /nfs/dbraw/zinc/29/06/07/569290607.db2.gz WFMZGZUEJHMAQP-HSZRJFAPSA-N 0 0 414.530 5.815 50 0 HKAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208042110 569290553 /nfs/dbraw/zinc/29/05/53/569290553.db2.gz WFMZGZUEJHMAQP-QHCPKHFHSA-N 0 0 414.530 5.815 50 0 HKAARN O=C(c1ccccc1Br)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208046018 569290603 /nfs/dbraw/zinc/29/06/03/569290603.db2.gz ZJUIKGWDMUNECS-KRWDZBQOSA-N 0 0 410.764 5.423 50 0 HKAARN O=C(c1ccccc1Br)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208046056 569290609 /nfs/dbraw/zinc/29/06/09/569290609.db2.gz 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CCOc1ccccc1NC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)ccc1Cl ZINC000214076084 568457028 /nfs/dbraw/zinc/45/70/28/568457028.db2.gz CPQLVRNDMGNLJC-INIZCTEOSA-N 0 0 422.912 5.733 50 0 HKAARN CCOc1ccccc1NC(=O)c1cc(NC(=O)[C@H](C)c2ccccc2)ccc1Cl ZINC000214076141 568457085 /nfs/dbraw/zinc/45/70/85/568457085.db2.gz CPQLVRNDMGNLJC-MRXNPFEDSA-N 0 0 422.912 5.733 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(C)c(NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000214076436 568457092 /nfs/dbraw/zinc/45/70/92/568457092.db2.gz ZNKILLNBFIJBLQ-SFHVURJKSA-N 0 0 402.494 5.388 50 0 HKAARN CCOc1ccccc1NC(=O)c1ccc(C)c(NC(=O)[C@H](C)c2ccccc2)c1 ZINC000214076487 568457031 /nfs/dbraw/zinc/45/70/31/568457031.db2.gz ZNKILLNBFIJBLQ-GOSISDBHSA-N 0 0 402.494 5.388 50 0 HKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc2ncccc21)CCCCCC3 ZINC000215673607 568788304 /nfs/dbraw/zinc/78/83/04/568788304.db2.gz ITBPKGRJRGSBFV-UHFFFAOYSA-N 0 0 402.523 5.338 50 0 HKAARN Cc1cc2c(N)c(C(=O)Nc3cccc4ncccc43)sc2nc1-c1ccccc1 ZINC000215673895 568788366 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CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000225781071 568674450 /nfs/dbraw/zinc/67/44/50/568674450.db2.gz LVBNIEQFWFGZFO-UHFFFAOYSA-N 0 0 422.937 5.984 50 0 HKAARN Oc1ccc(-c2cc(-c3cccc(Cl)c3)c3cc(Br)ccc3n2)cc1 ZINC000225782370 568674462 /nfs/dbraw/zinc/67/44/62/568674462.db2.gz HDRYJRILJWQLOE-UHFFFAOYSA-N 0 0 410.698 6.690 50 0 HKAARN Fc1ccc(C2=NN(C(=S)NCCc3ccccc3)[C@H](c3cccs3)C2)cc1 ZINC000225782577 568674471 /nfs/dbraw/zinc/67/44/71/568674471.db2.gz YKZWMWBMENOIPO-FQEVSTJZSA-N 0 0 409.555 5.156 50 0 HKAARN Fc1ccc(C2=NN(C(=S)NCCc3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000225782600 568674529 /nfs/dbraw/zinc/67/45/29/568674529.db2.gz YKZWMWBMENOIPO-HXUWFJFHSA-N 0 0 409.555 5.156 50 0 HKAARN CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(C)cc3n2)cc1 ZINC000225782716 568674512 /nfs/dbraw/zinc/67/45/12/568674512.db2.gz DMWZJPQLYUNDLO-UHFFFAOYSA-N 0 0 402.519 5.639 50 0 HKAARN CC(=O)c1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000225848223 568680174 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/nfs/dbraw/zinc/85/53/46/568855346.db2.gz LGTCWJSYPZONER-CVDCTZTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000227486305 568855334 /nfs/dbraw/zinc/85/53/34/568855334.db2.gz XXDXXNVXWIGLKQ-REWPJTCUSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000227486476 568855284 /nfs/dbraw/zinc/85/52/84/568855284.db2.gz NVJUZPUYIFHPJK-SBUREZEXSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000227486487 568855335 /nfs/dbraw/zinc/85/53/35/568855335.db2.gz FKFCBITVXQBREZ-MBSDFSHPSA-N 0 0 420.490 5.118 50 0 HKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 ZINC000227487159 568855392 /nfs/dbraw/zinc/85/53/92/568855392.db2.gz VJLIFRAZSSOQHT-URXFXBBRSA-N 0 0 404.535 6.006 50 0 HKAARN Cc1nc2sc3c(c2c(N2CCC[C@H]2c2ccc4c(c2)OCCO4)n1)CC[C@@H](C)C3 ZINC000229568559 569040485 /nfs/dbraw/zinc/04/04/85/569040485.db2.gz GJCGLACIQVETGQ-KDOFPFPSSA-N 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CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000229880318 568715753 /nfs/dbraw/zinc/71/57/53/568715753.db2.gz KXPFBRPOPPZJDL-NIYFSFCBSA-N 0 0 414.574 7.182 50 0 HKAARN O=C(N[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1)c1ccccc1Cl ZINC000229901956 568715865 /nfs/dbraw/zinc/71/58/65/568715865.db2.gz XSWOYSLTOJPIPW-WWPVKYPJSA-N 0 0 424.972 5.382 50 0 HKAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000229901967 568715754 /nfs/dbraw/zinc/71/57/54/568715754.db2.gz XSWOYSLTOJPIPW-UEVCKROQSA-N 0 0 424.972 5.382 50 0 HKAARN O=C1[C@@H]2CCCC[C@@H]2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1Cc1ccccc1 ZINC000229987210 568716243 /nfs/dbraw/zinc/71/62/43/568716243.db2.gz BAQBVTVZDSFUCF-SXDGJLEOSA-N 0 0 420.556 6.725 50 0 HKAARN O=C1[C@@H]2CCCC[C@H]2[C@H](c2c3ccccc3[nH]c2-c2ccccc2)N1Cc1ccccc1 ZINC000229987219 568716261 /nfs/dbraw/zinc/71/62/61/568716261.db2.gz BAQBVTVZDSFUCF-MVOZIGHISA-N 0 0 420.556 6.725 50 0 HKAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)C1 ZINC000229988411 568716775 /nfs/dbraw/zinc/71/67/75/568716775.db2.gz ASFIVQACLZMLMF-AVRDEDQJSA-N 0 0 421.968 5.593 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)c1C ZINC000230009277 568801552 /nfs/dbraw/zinc/80/15/52/568801552.db2.gz UUOHHXXXBMIDST-PZXVYJQKSA-N 0 0 409.529 5.770 50 0 HKAARN O=C(c1ccccc1)[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@H]21 ZINC000230028597 568802420 /nfs/dbraw/zinc/80/24/20/568802420.db2.gz YDQNLQQDAOZBMJ-OZXSUGGESA-N 0 0 410.542 5.642 50 0 HKAARN O=C(c1ccccc1)[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@H]21 ZINC000230028606 568802391 /nfs/dbraw/zinc/80/23/91/568802391.db2.gz YDQNLQQDAOZBMJ-JYFHCDHNSA-N 0 0 410.542 5.642 50 0 HKAARN COc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)[C@@H]2[C@H](c3ccccc3)N21 ZINC000230038741 568716699 /nfs/dbraw/zinc/71/66/99/568716699.db2.gz IPKXJAZVJRQVSG-FKDZGSJQSA-N 0 0 419.322 5.385 50 0 HKAARN COc1ccccc1[C@@H]1N=C(c2ccc(Br)cc2)[C@H]2[C@H](c3ccccc3)N21 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COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@H](c4ccccc4)N32)cc1OC ZINC000230068303 568716801 /nfs/dbraw/zinc/71/68/01/568716801.db2.gz NFGMDTLOCXECTL-JZWOWXHXSA-N 0 0 404.897 5.284 50 0 HKAARN COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@H](c4ccccc4)N32)cc1OC ZINC000230068314 568716535 /nfs/dbraw/zinc/71/65/35/568716535.db2.gz NFGMDTLOCXECTL-FVVHVWBPSA-N 0 0 404.897 5.284 50 0 HKAARN c1ccc(-c2ccc(C3=NN4[C@@H](C3)c3ccccc3O[C@H]4c3ccccc3)cc2)cc1 ZINC000230085968 568834323 /nfs/dbraw/zinc/83/43/23/568834323.db2.gz ZKWOQNSONQFTAY-XCZPVHLTSA-N 0 0 402.497 6.596 50 0 HKAARN c1ccc(-c2ccc(C3=NN4[C@H](C3)c3ccccc3O[C@H]4c3ccccc3)cc2)cc1 ZINC000230085976 568834344 /nfs/dbraw/zinc/83/43/44/568834344.db2.gz ZKWOQNSONQFTAY-IAPPQJPRSA-N 0 0 402.497 6.596 50 0 HKAARN O=CN(CCCC[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccccc1 ZINC000230118270 568847658 /nfs/dbraw/zinc/84/76/58/568847658.db2.gz HSUJEVIVQKZGOF-RCTAOEEJSA-N 0 0 404.554 5.749 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000230138217 568851150 /nfs/dbraw/zinc/85/11/50/568851150.db2.gz JFDHIMAJTWDPBB-ORTUWQJKSA-N 0 0 418.533 5.334 50 0 HKAARN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000230140299 568852416 /nfs/dbraw/zinc/85/24/16/568852416.db2.gz DVNOZHJYOWURLQ-KPARNRDPSA-N 0 0 421.540 5.882 50 0 HKAARN CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C\c1ccc(F)cc1 ZINC000230189866 568854142 /nfs/dbraw/zinc/85/41/42/568854142.db2.gz MYAQFXSTQXHLBF-MEOHRARVSA-N 0 0 412.508 5.375 50 0 HKAARN CC(=O)n1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000230224705 568855894 /nfs/dbraw/zinc/85/58/94/568855894.db2.gz UDOQXFOYHITSHB-NXVVXOECSA-N 0 0 405.457 5.171 50 0 HKAARN CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000230511350 569359708 /nfs/dbraw/zinc/35/97/08/569359708.db2.gz CWCJBSFVVSHVRU-UHFFFAOYSA-N 0 0 422.912 5.263 50 0 HKAARN CC(C)(C)OC(=O)N(CCCOc1ccc(Br)cc1Cl)C1CC1 ZINC000230550399 569383872 /nfs/dbraw/zinc/38/38/72/569383872.db2.gz JHRBQPPVOPGKMH-UHFFFAOYSA-N 0 0 404.732 5.271 50 0 HKAARN CC(C)(C)OC(=O)N(CCOc1ccc(Br)cc1F)C1CCCCC1 ZINC000230550615 568849695 /nfs/dbraw/zinc/84/96/95/568849695.db2.gz SHQOJXPXMUBVDP-UHFFFAOYSA-N 0 0 416.331 5.537 50 0 HKAARN COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000230550668 568849700 /nfs/dbraw/zinc/84/97/00/568849700.db2.gz SOJKTWNVPRGGOF-HNNXBMFYSA-N 0 0 420.347 5.956 50 0 HKAARN COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C)c2ccc(Br)cc2)cc1 ZINC000230550700 568849638 /nfs/dbraw/zinc/84/96/38/568849638.db2.gz SOJKTWNVPRGGOF-OAHLLOKOSA-N 0 0 420.347 5.956 50 0 HKAARN Cc1cn(C(=O)/C=C/C(=O)n2cc(C)c(-c3ccc(C)cc3)n2)nc1-c1ccc(C)cc1 ZINC000231426983 568718327 /nfs/dbraw/zinc/71/83/27/568718327.db2.gz CPXYLKKAXMTSQX-BUHFOSPRSA-N 0 0 424.504 5.184 50 0 HKAARN O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)c(Cl)cc2c1Cl ZINC000232314160 568880047 /nfs/dbraw/zinc/88/00/47/568880047.db2.gz NPWWHVFHPKAKJD-UHFFFAOYSA-N 0 0 408.640 5.306 50 0 HKAARN Cc1ccc(COc2ccc(CNc3cccc(CS(C)(=O)=O)c3C)cc2)cc1 ZINC000237818850 569281967 /nfs/dbraw/zinc/28/19/67/569281967.db2.gz HWIKRJRITOTYNV-UHFFFAOYSA-N 0 0 409.551 5.039 50 0 HKAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@H]1c1cccs1 ZINC000242001068 569369915 /nfs/dbraw/zinc/36/99/15/569369915.db2.gz VCSUQBUIIMVFRT-PBHICJAKSA-N 0 0 407.564 6.024 50 0 HKAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@H]1c1cccs1 ZINC000242001069 569369820 /nfs/dbraw/zinc/36/98/20/569369820.db2.gz VCSUQBUIIMVFRT-YOEHRIQHSA-N 0 0 407.564 6.024 50 0 HKAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@H]1c1cccn1C ZINC000242196968 569369809 /nfs/dbraw/zinc/36/98/09/569369809.db2.gz XGOLHSORZMIRMQ-BEFAXECRSA-N 0 0 404.539 5.301 50 0 HKAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@H]1c1cccn1C ZINC000242196969 569369936 /nfs/dbraw/zinc/36/99/36/569369936.db2.gz XGOLHSORZMIRMQ-KXBFYZLASA-N 0 0 404.539 5.301 50 0 HKAARN Cc1cc(NC(=O)N[C@@H](c2cccs2)C(C)(C)CO)ccc1Oc1cccnc1 ZINC000242273660 569369817 /nfs/dbraw/zinc/36/98/17/569369817.db2.gz YETDDOYBHWEHBD-FQEVSTJZSA-N 0 0 411.527 5.125 50 0 HKAARN Cc1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)CO)ccc1Oc1cccnc1 ZINC000242273661 569369852 /nfs/dbraw/zinc/36/98/52/569369852.db2.gz YETDDOYBHWEHBD-HXUWFJFHSA-N 0 0 411.527 5.125 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=S)NCc2ccccc2)cc1 ZINC000242284630 569369933 /nfs/dbraw/zinc/36/99/33/569369933.db2.gz YIJCKDYRWWRNJJ-HSZRJFAPSA-N 0 0 403.526 5.360 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=S)NCc2ccccc2)cc1 ZINC000242284631 569369880 /nfs/dbraw/zinc/36/98/80/569369880.db2.gz YIJCKDYRWWRNJJ-QHCPKHFHSA-N 0 0 403.526 5.360 50 0 HKAARN CCN(C(=O)c1csc(Cc2ccccc2F)n1)c1cccc(Br)c1 ZINC000242302388 569369892 /nfs/dbraw/zinc/36/98/92/569369892.db2.gz YSEFHIVFGPHTDG-UHFFFAOYSA-N 0 0 419.319 5.302 50 0 HKAARN CCn1nccc1CCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000242339211 569369940 /nfs/dbraw/zinc/36/99/40/569369940.db2.gz ZFZPFRCRILJGMX-UHFFFAOYSA-N 0 0 423.973 5.198 50 0 HKAARN CCN(c1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1)C(C)C ZINC000242346936 569369841 /nfs/dbraw/zinc/36/98/41/569369841.db2.gz ZKIJLBAVVLQUAD-UHFFFAOYSA-N 0 0 400.429 5.161 50 0 HKAARN C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000242701898 569369953 /nfs/dbraw/zinc/36/99/53/569369953.db2.gz WQLVFSAGQJTQCK-AWYBXAMBSA-N 0 0 414.630 5.714 50 0 HKAARN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000242701902 559272225 /nfs/dbraw/zinc/27/22/25/559272225.db2.gz WQLVFSAGQJTQCK-NFCTVHARSA-N 0 0 414.630 5.714 50 0 HKAARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000244764064 569370122 /nfs/dbraw/zinc/37/01/22/569370122.db2.gz PATZWJFBWJISFP-YZFMCDTASA-N 0 0 402.619 5.126 50 0 biogenic HKAARN CC1(C)[C@@H]2C[C@@H]3[C@](C)(O)[C@H](c4ccccc4)[P@](=O)(Cc4ccccc4)[C@@]3(C)C[C@@H]21 ZINC000244811796 569370142 /nfs/dbraw/zinc/37/01/42/569370142.db2.gz SLLAFQQDLZLOSI-CRXZREJOSA-N 0 0 408.522 6.497 50 0 HKAARN CC1(C)[C@@H]2C[C@H]3[C@@](C)(C[C@@H]21)[P@@](=O)(Cc1ccccc1)[C@@H](c1ccccc1)[C@@]3(C)O ZINC000244811799 520643663 /nfs/dbraw/zinc/64/36/63/520643663.db2.gz SLLAFQQDLZLOSI-SLSUHFMDSA-N 0 0 408.522 6.497 50 0 HKAARN O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000244970131 571211185 /nfs/dbraw/zinc/21/11/85/571211185.db2.gz HLCVGTXQSGQMOH-UHFFFAOYSA-N 0 0 404.470 5.042 50 0 HKAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000244986098 571211773 /nfs/dbraw/zinc/21/17/73/571211773.db2.gz JFVAVNMHWQTAGN-FQEVSTJZSA-N 0 0 400.503 5.257 50 0 HKAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000244986099 571211682 /nfs/dbraw/zinc/21/16/82/571211682.db2.gz JFVAVNMHWQTAGN-HXUWFJFHSA-N 0 0 400.503 5.257 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccco2)cc1 ZINC000245020878 520930441 /nfs/dbraw/zinc/93/04/41/520930441.db2.gz MLMJVMYSDILOHF-RDPSFJRHSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccco2)cc1 ZINC000245020879 520931956 /nfs/dbraw/zinc/93/19/56/520931956.db2.gz MLMJVMYSDILOHF-YKSBVNFPSA-N 0 0 404.466 5.319 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccs2)cc1 ZINC000245026595 569370124 /nfs/dbraw/zinc/37/01/24/569370124.db2.gz NCCMNHMMIKNLBL-CVDCTZTESA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccs2)cc1 ZINC000245026596 569370094 /nfs/dbraw/zinc/37/00/94/569370094.db2.gz NCCMNHMMIKNLBL-XXBNENTESA-N 0 0 406.507 5.398 50 0 HKAARN O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2)n1-c1ccccc1 ZINC000245026617 571212170 /nfs/dbraw/zinc/21/21/70/571212170.db2.gz NDHODTSGWCAPMJ-UHFFFAOYSA-N 0 0 409.514 5.673 50 0 HKAARN Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3CCC(C)C)n2)cc1 ZINC000245180668 571215448 /nfs/dbraw/zinc/21/54/48/571215448.db2.gz ZFPKOOIGWKSOBI-UHFFFAOYSA-N 0 0 420.538 5.093 50 0 HKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCCC)cc3)cc2)CC1 ZINC000245189229 569370092 /nfs/dbraw/zinc/37/00/92/569370092.db2.gz DDSVVIPTUMVQHZ-YHBQERECSA-N 0 0 422.609 7.939 50 0 HKAARN CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000245189262 569370156 /nfs/dbraw/zinc/37/01/56/569370156.db2.gz ILPSJDLONAPDJJ-ALOJWSFFSA-N 0 0 420.637 8.493 50 0 HKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1 ZINC000245189280 569370112 /nfs/dbraw/zinc/37/01/12/569370112.db2.gz KYLIOTOFNDEVBC-HZCBDIJESA-N 0 0 408.582 7.549 50 0 HKAARN CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000245189309 569370118 /nfs/dbraw/zinc/37/01/18/569370118.db2.gz QIEMVWGALIVVIT-HCGLCNNCSA-N 0 0 406.610 8.103 50 0 HKAARN CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1 ZINC000245189319 569370167 /nfs/dbraw/zinc/37/01/67/569370167.db2.gz SRJLZDPWUSOULH-LWPGTKICSA-N 0 0 420.656 9.641 50 0 HKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000245189326 569370114 /nfs/dbraw/zinc/37/01/14/569370114.db2.gz URHOZXIVCLJDNS-YHBQERECSA-N 0 0 422.609 7.939 50 0 HKAARN CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 ZINC000245189336 569370162 /nfs/dbraw/zinc/37/01/62/569370162.db2.gz WJEFXOAPGDOQNG-HZCBDIJESA-N 0 0 408.582 7.549 50 0 HKAARN CCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000245189339 569370089 /nfs/dbraw/zinc/37/00/89/569370089.db2.gz XJXZINVAFYRYRN-HZCBDIJESA-N 0 0 408.582 7.549 50 0 HKAARN CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000245204794 571216885 /nfs/dbraw/zinc/21/68/85/571216885.db2.gz HHENOUDBWKNPAB-ISKYWQPHSA-N 0 0 400.603 6.401 50 0 HKAARN CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000245204795 569370098 /nfs/dbraw/zinc/37/00/98/569370098.db2.gz HHENOUDBWKNPAB-RUNZLFIYSA-N 0 0 400.603 6.401 50 0 biogenic HKAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3O[C@@H]4CCCC[C@H]4c4sccc43)o2)cc1 ZINC000245225989 569370145 /nfs/dbraw/zinc/37/01/45/569370145.db2.gz CRUCRXHYCUGCRX-NQSCKRDGSA-N 0 0 408.519 6.331 50 0 HKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000245225997 569370131 /nfs/dbraw/zinc/37/01/31/569370131.db2.gz CUDMNXSXYJGJGV-IECBHUPTSA-N 0 0 407.510 5.198 50 0 HKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000245225998 569370165 /nfs/dbraw/zinc/37/01/65/569370165.db2.gz CUDMNXSXYJGJGV-IMWIBFENSA-N 0 0 407.510 5.198 50 0 HKAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000245226087 569370107 /nfs/dbraw/zinc/37/01/07/569370107.db2.gz HKUBQVLWDXNOTL-ZYKOEDHHSA-N 0 0 406.547 6.482 50 0 HKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc(Br)cc1 ZINC000245226455 569370286 /nfs/dbraw/zinc/37/02/86/569370286.db2.gz XUCXXQOFQMYVJS-XFQAVAEZSA-N 0 0 403.316 5.612 50 0 HKAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1ccc(Br)cc1 ZINC000245226456 569370301 /nfs/dbraw/zinc/37/03/01/569370301.db2.gz XUCXXQOFQMYVJS-ZOCZFRKYSA-N 0 0 403.316 5.612 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226530 569370260 /nfs/dbraw/zinc/37/02/60/569370260.db2.gz ARMZDRAAYLROFH-JBYIUTFZSA-N 0 0 424.614 6.334 50 0 HKAARN CCCCCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226531 569370239 /nfs/dbraw/zinc/37/02/39/569370239.db2.gz ARMZDRAAYLROFH-KGVIQGDOSA-N 0 0 424.614 6.334 50 0 HKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000245226770 569370277 /nfs/dbraw/zinc/37/02/77/569370277.db2.gz KPGCFRPIPJUWER-ASTRLGPVSA-N 0 0 422.598 5.800 50 0 biogenic HKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226771 569370282 /nfs/dbraw/zinc/37/02/82/569370282.db2.gz KPGCFRPIPJUWER-HAXDFEGKSA-N 0 0 422.598 5.800 50 0 biogenic HKAARN CSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226772 569370266 /nfs/dbraw/zinc/37/02/66/569370266.db2.gz KPGCFRPIPJUWER-WMIGDMCZSA-N 0 0 422.598 5.800 50 0 biogenic HKAARN COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)c1 ZINC000245227233 571217745 /nfs/dbraw/zinc/21/77/45/571217745.db2.gz HLWRCSWXRBUKBS-CQOQZXRMSA-N 0 0 413.945 5.459 50 0 HKAARN COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)c1 ZINC000245227234 522848430 /nfs/dbraw/zinc/84/84/30/522848430.db2.gz HLWRCSWXRBUKBS-WMTXJRDZSA-N 0 0 413.945 5.459 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000245228528 571218031 /nfs/dbraw/zinc/21/80/31/571218031.db2.gz IZMYGGHMZINCIX-QRRACGJLSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000245228529 571217969 /nfs/dbraw/zinc/21/79/69/571217969.db2.gz IZMYGGHMZINCIX-ZZNFJVAJSA-N 0 0 424.610 5.380 50 0 HKAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]1c1cccs1 ZINC000245228550 571217920 /nfs/dbraw/zinc/21/79/20/571217920.db2.gz LLLJNCZKNMHDGG-FJDVCKPCSA-N 0 0 424.610 5.189 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245229450 569370299 /nfs/dbraw/zinc/37/02/99/569370299.db2.gz YEYCQJVCAMFWCO-MVIZORQYSA-N 0 0 414.674 7.569 50 0 HKAARN CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000245235106 569370280 /nfs/dbraw/zinc/37/02/80/569370280.db2.gz HRJPWCOIITWIBB-IHBRBHLJSA-N 0 0 409.529 5.716 50 0 HKAARN CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000245235107 569370245 /nfs/dbraw/zinc/37/02/45/569370245.db2.gz HRJPWCOIITWIBB-NLJWQWLVSA-N 0 0 409.529 5.716 50 0 HKAARN CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000245237010 519961662 /nfs/dbraw/zinc/96/16/62/519961662.db2.gz AYYGBVVORHXHFQ-IRLDBZIGSA-N 0 0 413.359 6.614 50 0 HKAARN CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000245237011 519961681 /nfs/dbraw/zinc/96/16/81/519961681.db2.gz AYYGBVVORHXHFQ-UNMCSNQZSA-N 0 0 413.359 6.614 50 0 HKAARN C[C@H](OCCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000245237535 571219231 /nfs/dbraw/zinc/21/92/31/571219231.db2.gz MOCIGAJJUKBTTC-CEWLAPEOSA-N 0 0 420.578 5.630 50 0 HKAARN C[C@H](OCCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000245237536 525900698 /nfs/dbraw/zinc/90/06/98/525900698.db2.gz MOCIGAJJUKBTTC-SESVDKBCSA-N 0 0 420.578 5.630 50 0 HKAARN C[C@@H]1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237805 571219460 /nfs/dbraw/zinc/21/94/60/571219460.db2.gz XGTNCRXWEGUSKF-APWZRJJASA-N 0 0 423.607 5.351 50 0 HKAARN C[C@H]1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 ZINC000245237806 571219571 /nfs/dbraw/zinc/21/95/71/571219571.db2.gz XGTNCRXWEGUSKF-LPHOPBHVSA-N 0 0 423.607 5.351 50 0 HKAARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000245238404 569370388 /nfs/dbraw/zinc/37/03/88/569370388.db2.gz NEZLLAPYDIROPG-IHBRBHLJSA-N 0 0 407.513 5.546 50 0 HKAARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000245238405 569370363 /nfs/dbraw/zinc/37/03/63/569370363.db2.gz NEZLLAPYDIROPG-NLJWQWLVSA-N 0 0 407.513 5.546 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)c1C ZINC000245238581 569370350 /nfs/dbraw/zinc/37/03/50/569370350.db2.gz UUOHHXXXBMIDST-IHBRBHLJSA-N 0 0 409.529 5.770 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)c1C ZINC000245238582 569370381 /nfs/dbraw/zinc/37/03/81/569370381.db2.gz UUOHHXXXBMIDST-NLJWQWLVSA-N 0 0 409.529 5.770 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000245241429 523877667 /nfs/dbraw/zinc/87/76/67/523877667.db2.gz DJXGCIDACJFQKY-UPVQGACJSA-N 0 0 420.896 5.600 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000245241553 520930316 /nfs/dbraw/zinc/93/03/16/520930316.db2.gz IUVVUSRWRXYRGT-UPVQGACJSA-N 0 0 422.887 6.120 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000245241606 569370483 /nfs/dbraw/zinc/37/04/83/569370483.db2.gz KQOSQBNXTUJCOI-GMAHTHKFSA-N 0 0 419.322 6.000 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1 ZINC000245241826 569370498 /nfs/dbraw/zinc/37/04/98/569370498.db2.gz QJZDLKHYCOZPOP-UPVQGACJSA-N 0 0 402.519 5.659 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000245241827 520930194 /nfs/dbraw/zinc/93/01/94/520930194.db2.gz QKQNMXXECUEYFO-BDYUSTAISA-N 0 0 412.533 6.451 50 0 HKAARN Cc1ccccc1Nc1c([N+](=O)[O-])c(C=[NH+][N-]c2ccccc2)nn1-c1ccccc1 ZINC000245245573 568454349 /nfs/dbraw/zinc/45/43/49/568454349.db2.gz DMUHXEXOWBSDAA-UHFFFAOYSA-N 0 0 412.453 5.279 50 0 HKAARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000245246413 569370475 /nfs/dbraw/zinc/37/04/75/569370475.db2.gz KXPFBRPOPPZJDL-AFMDSPMNSA-N 0 0 414.574 7.182 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000245253767 569370459 /nfs/dbraw/zinc/37/04/59/569370459.db2.gz OOABHJLKLZEWKP-LHAFHPSLSA-N 0 0 408.969 6.259 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000245253768 569370457 /nfs/dbraw/zinc/37/04/57/569370457.db2.gz OOABHJLKLZEWKP-UTSZRGJHSA-N 0 0 408.969 6.259 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(Cl)cc4)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000245253769 569370462 /nfs/dbraw/zinc/37/04/62/569370462.db2.gz OOABHJLKLZEWKP-WZEDYSKBSA-N 0 0 408.969 6.259 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2Cl)cc1 ZINC000245253855 523877865 /nfs/dbraw/zinc/87/78/65/523877865.db2.gz HRPPGUPDUYCTRY-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000245253964 569370473 /nfs/dbraw/zinc/37/04/73/569370473.db2.gz VLHAVWYOZFHRAG-UFNANVBGSA-N 0 0 406.492 5.981 50 0 HKAARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000245253965 569370496 /nfs/dbraw/zinc/37/04/96/569370496.db2.gz VLHAVWYOZFHRAG-UGCQDJOBSA-N 0 0 406.492 5.981 50 0 HKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@H](c3ccc(F)cc3)N12 ZINC000245254606 569370488 /nfs/dbraw/zinc/37/04/88/569370488.db2.gz AWAGYABBBLERKY-FJDSPDIVSA-N 0 0 410.489 5.203 50 0 HKAARN O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H](c3ccc(F)cc3)N12 ZINC000245254607 569370499 /nfs/dbraw/zinc/37/04/99/569370499.db2.gz AWAGYABBBLERKY-HOKRJNOFSA-N 0 0 410.489 5.203 50 0 HKAARN CC(=O)O[C@@H]1C[C@H](c2ccccc2)N(C(C)=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245255916 569370490 /nfs/dbraw/zinc/37/04/90/569370490.db2.gz MJHOCQLFVZWVFV-JVYGEBFASA-N 0 0 413.517 5.437 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c(OC)c1 ZINC000245256123 569370491 /nfs/dbraw/zinc/37/04/91/569370491.db2.gz NWPKBOCTGCIDNO-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c(OC)c1 ZINC000245256124 569370487 /nfs/dbraw/zinc/37/04/87/569370487.db2.gz NWPKBOCTGCIDNO-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn32)[C@H]1C ZINC000245257900 571221443 /nfs/dbraw/zinc/22/14/43/571221443.db2.gz HCMWETFAAQTPCY-VCBZYWHSSA-N 0 0 421.541 5.910 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn32)[C@H]1C ZINC000245257901 571221351 /nfs/dbraw/zinc/22/13/51/571221351.db2.gz HCMWETFAAQTPCY-ZRGWGRIASA-N 0 0 421.541 5.910 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245258119 571221283 /nfs/dbraw/zinc/22/12/83/571221283.db2.gz KBDVSCDUQUIFJJ-QMTMVMCOSA-N 0 0 418.628 5.546 50 0 HKAARN CSc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245258120 571221429 /nfs/dbraw/zinc/22/14/29/571221429.db2.gz KBDVSCDUQUIFJJ-SPYBWZPUSA-N 0 0 418.628 5.546 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245258194 571221470 /nfs/dbraw/zinc/22/14/70/571221470.db2.gz MZSBQOKKHRUWSR-PMAPCBKXSA-N 0 0 417.553 5.932 50 0 HKAARN CCOc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245258197 571221425 /nfs/dbraw/zinc/22/14/25/571221425.db2.gz MZSBQOKKHRUWSR-YZZKKUAISA-N 0 0 417.553 5.932 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)[C@H]1C ZINC000245258200 571221449 /nfs/dbraw/zinc/22/14/49/571221449.db2.gz NEFLMLWXZXGUCJ-GJYPPUQNSA-N 0 0 403.551 5.771 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)[C@H]1C ZINC000245258202 571221395 /nfs/dbraw/zinc/22/13/95/571221395.db2.gz NEFLMLWXZXGUCJ-JTDSTZFVSA-N 0 0 403.551 5.771 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)[C@H]1C ZINC000245258206 571221322 /nfs/dbraw/zinc/22/13/22/571221322.db2.gz NMLGRYAJRYWJNW-IGCXYCKISA-N 0 0 401.963 5.510 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)[C@H]1C ZINC000245258208 571221302 /nfs/dbraw/zinc/22/13/02/571221302.db2.gz NMLGRYAJRYWJNW-IIYDPXPESA-N 0 0 401.963 5.510 50 0 HKAARN Clc1ccc(-c2nc(N=NCc3cccc4cccnc43)nc3ccccc32)cc1 ZINC000245265349 571221854 /nfs/dbraw/zinc/22/18/54/571221854.db2.gz GGZNCHZHLWJFCV-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN CN(C)c1ccc(CN=Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1 ZINC000245266177 571221830 /nfs/dbraw/zinc/22/18/30/571221830.db2.gz JANGGJOQBMWVOO-UHFFFAOYSA-N 0 0 401.901 5.462 50 0 HKAARN Clc1ccc(-c2nc(N=NCc3ccc4ncccc4c3)nc3ccccc32)cc1 ZINC000245266244 571221781 /nfs/dbraw/zinc/22/17/81/571221781.db2.gz JKDXDDJTFLFNMH-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN CCOc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000245266256 571221899 /nfs/dbraw/zinc/22/18/99/571221899.db2.gz JLOHOBWIVWGBGA-UHFFFAOYSA-N 0 0 402.885 5.795 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2C)cc1 ZINC000245266622 571222123 /nfs/dbraw/zinc/22/21/23/571222123.db2.gz KJQJZWSJYLIEHI-VWNXMTODSA-N 0 0 404.897 5.899 50 0 HKAARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000245267762 523411861 /nfs/dbraw/zinc/41/18/61/523411861.db2.gz MDGYGSZQYJUTBN-JMTHYUOCSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000245267764 569370465 /nfs/dbraw/zinc/37/04/65/569370465.db2.gz MDGYGSZQYJUTBN-XKFYKNJRSA-N 0 0 408.582 5.373 50 0 HKAARN CCc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245276882 571222379 /nfs/dbraw/zinc/22/23/79/571222379.db2.gz ZDIKKRXPLZXMPC-PMAPCBKXSA-N 0 0 401.554 6.095 50 0 HKAARN CCc1ccc(Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245276883 571222336 /nfs/dbraw/zinc/22/23/36/571222336.db2.gz ZDIKKRXPLZXMPC-YZZKKUAISA-N 0 0 401.554 6.095 50 0 HKAARN CC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000245276912 571222472 /nfs/dbraw/zinc/22/24/72/571222472.db2.gz ZMSFUQNFPBSXPY-LFWOZUSOSA-N 0 0 423.988 6.249 50 0 HKAARN CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000245276915 571222237 /nfs/dbraw/zinc/22/22/37/571222237.db2.gz ZMSFUQNFPBSXPY-XWOARTFESA-N 0 0 423.988 6.249 50 0 HKAARN Clc1ccc(-c2nc(N=NCc3ccc4nccnc4c3)nc3ccccc32)cc1 ZINC000245283727 571223018 /nfs/dbraw/zinc/22/30/18/571223018.db2.gz OMNTUAIRBORBOP-UHFFFAOYSA-N 0 0 410.868 5.339 50 0 HKAARN Cc1cc(C)nc(N=NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000245283965 568461142 /nfs/dbraw/zinc/46/11/42/568461142.db2.gz PISYUXYOKNZVJX-UHFFFAOYSA-N 0 0 408.465 5.138 50 0 HKAARN CN(C)c1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000245284284 571222952 /nfs/dbraw/zinc/22/29/52/571222952.db2.gz RHCHWGSVOSFWGK-UHFFFAOYSA-N 0 0 401.901 5.462 50 0 HKAARN Clc1ccc(-c2nc(N=NCc3cccc4ncccc34)nc3ccccc32)cc1 ZINC000245284676 571222949 /nfs/dbraw/zinc/22/29/49/571222949.db2.gz TWUINKDWTNSEJT-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)[C@H]1C ZINC000245289622 571223170 /nfs/dbraw/zinc/22/31/70/571223170.db2.gz DBKUMXKGUNKQDX-OTLTVWOMSA-N 0 0 406.551 5.326 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)[C@H]1C ZINC000245289623 571223263 /nfs/dbraw/zinc/22/32/63/571223263.db2.gz DBKUMXKGUNKQDX-OXCIBKSSSA-N 0 0 406.551 5.326 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)[C@H]1C ZINC000245295535 571223144 /nfs/dbraw/zinc/22/31/44/571223144.db2.gz GVEIBXSAKYLCPX-VWKPWSFCSA-N 0 0 424.997 6.594 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(Cl)cc3)nc3ccccc32)[C@H]1C ZINC000245295537 571223272 /nfs/dbraw/zinc/22/32/72/571223272.db2.gz GVEIBXSAKYLCPX-XFQAVAEZSA-N 0 0 424.997 6.594 50 0 HKAARN C[C@@H]1CCC[C@H](Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)[C@H]1C ZINC000245296589 571223365 /nfs/dbraw/zinc/22/33/65/571223365.db2.gz LRICNPFRWRGABL-VCBZYWHSSA-N 0 0 410.359 6.296 50 0 HKAARN C[C@@H]1CCC[C@@H](Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)[C@H]1C ZINC000245296591 571223425 /nfs/dbraw/zinc/22/34/25/571223425.db2.gz LRICNPFRWRGABL-ZRGWGRIASA-N 0 0 410.359 6.296 50 0 HKAARN CCc1ccc2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCc5ccccc54)C3)sc2c1 ZINC000245296622 569370596 /nfs/dbraw/zinc/37/05/96/569370596.db2.gz MQGNMOLQRFDERD-CTNGQTDRSA-N 0 0 419.594 5.269 50 0 HKAARN CCc1ccc2nc(N3CCC[C@H](C(=O)N[C@H]4CCCc5ccccc54)C3)sc2c1 ZINC000245296625 569370595 /nfs/dbraw/zinc/37/05/95/569370595.db2.gz MQGNMOLQRFDERD-FPOVZHCZSA-N 0 0 419.594 5.269 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)[C@H]1C ZINC000245297744 571223646 /nfs/dbraw/zinc/22/36/46/571223646.db2.gz WVPKBVRPVVGYCP-VWKPWSFCSA-N 0 0 408.542 6.080 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)[C@H]1C ZINC000245297749 571223613 /nfs/dbraw/zinc/22/36/13/571223613.db2.gz WVPKBVRPVVGYCP-XFQAVAEZSA-N 0 0 408.542 6.080 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245309456 571223792 /nfs/dbraw/zinc/22/37/92/571223792.db2.gz DCCPLEJPMKHTTA-SANMLTNESA-N 0 0 404.529 5.549 50 0 HKAARN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000245309460 571223969 /nfs/dbraw/zinc/22/39/69/571223969.db2.gz DEFURSBLGQMRTJ-VWXURSGXSA-N 0 0 409.961 5.859 50 0 HKAARN CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000245309983 569370593 /nfs/dbraw/zinc/37/05/93/569370593.db2.gz GPGFCWKFTBXKQU-GJZUVCINSA-N 0 0 414.505 5.509 50 0 HKAARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000245309985 569370591 /nfs/dbraw/zinc/37/05/91/569370591.db2.gz GPGFCWKFTBXKQU-NVQXNPDNSA-N 0 0 414.505 5.509 50 0 HKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3Cl)c2C(=O)[O-])[C@H]1C ZINC000245310108 571224204 /nfs/dbraw/zinc/22/42/04/571224204.db2.gz HVIKQGZUZFJSBV-HYFFOGBASA-N 0 0 424.972 5.956 50 0 HKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3Cl)c2C(=O)[O-])[C@H]1C ZINC000245310109 571224160 /nfs/dbraw/zinc/22/41/60/571224160.db2.gz HVIKQGZUZFJSBV-JLHGSKIFSA-N 0 0 424.972 5.956 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000245311688 571224263 /nfs/dbraw/zinc/22/42/63/571224263.db2.gz QJLWZEWWZBVWFP-RUZDIDTESA-N 0 0 408.492 5.380 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)cc1 ZINC000245311963 569370585 /nfs/dbraw/zinc/37/05/85/569370585.db2.gz RATZITOKULVYJM-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)cc1 ZINC000245311964 569370584 /nfs/dbraw/zinc/37/05/84/569370584.db2.gz RATZITOKULVYJM-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 ZINC000245312017 571224302 /nfs/dbraw/zinc/22/43/02/571224302.db2.gz RUHBHZPXJUZOLP-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000245312028 571224331 /nfs/dbraw/zinc/22/43/31/571224331.db2.gz RXCVVDFCELGVKA-DBXWQHBBSA-N 0 0 420.622 6.935 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000245312031 571224260 /nfs/dbraw/zinc/22/42/60/571224260.db2.gz RXCVVDFCELGVKA-WAOWUJCRSA-N 0 0 420.622 6.935 50 0 HKAARN C[P@@](=O)(O[C@H](c1ccccc1)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)F ZINC000245312052 569370618 /nfs/dbraw/zinc/37/06/18/569370618.db2.gz SAJRACRBCCSRNH-DCSLLPCPSA-N 0 0 412.266 6.450 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000245312277 571224269 /nfs/dbraw/zinc/22/42/69/571224269.db2.gz SRFYWLSYDUMRMV-RUZDIDTESA-N 0 0 424.947 5.894 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)c1 ZINC000245312307 569370567 /nfs/dbraw/zinc/37/05/67/569370567.db2.gz TWIFJXDMAOHZMO-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(F)c2)c1 ZINC000245312308 569370622 /nfs/dbraw/zinc/37/06/22/569370622.db2.gz TWIFJXDMAOHZMO-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2Sc2ccccc21 ZINC000245313065 571224563 /nfs/dbraw/zinc/22/45/63/571224563.db2.gz ZKRARKTUMIAHES-MBOZVWFJSA-N 0 0 406.595 6.627 50 0 HKAARN CCCC1=Nc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2Sc2ccccc21 ZINC000245313067 571224637 /nfs/dbraw/zinc/22/46/37/571224637.db2.gz ZKRARKTUMIAHES-SQGPQFPESA-N 0 0 406.595 6.627 50 0 HKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])[C@H]1C ZINC000245313079 571224634 /nfs/dbraw/zinc/22/46/34/571224634.db2.gz ZPVXAMFDBOHVLZ-HYFFOGBASA-N 0 0 408.517 5.441 50 0 HKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])[C@H]1C ZINC000245313080 571224497 /nfs/dbraw/zinc/22/44/97/571224497.db2.gz ZPVXAMFDBOHVLZ-JLHGSKIFSA-N 0 0 408.517 5.441 50 0 HKAARN CCCCN=c1scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC ZINC000245318964 571224499 /nfs/dbraw/zinc/22/44/99/571224499.db2.gz YIFMGOWGSOCGRD-UHFFFAOYSA-N 0 0 408.567 5.937 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000245319121 523878121 /nfs/dbraw/zinc/87/81/21/523878121.db2.gz ZJKGOOZYHVSQHZ-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000245327236 569370587 /nfs/dbraw/zinc/37/05/87/569370587.db2.gz NQQMUZMKDHPNJE-RDPSFJRHSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000245327237 569370573 /nfs/dbraw/zinc/37/05/73/569370573.db2.gz NQQMUZMKDHPNJE-YKSBVNFPSA-N 0 0 404.441 5.085 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000245327238 569370570 /nfs/dbraw/zinc/37/05/70/569370570.db2.gz NQSBLXCOAWSWSF-KNQAVFIVSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000245327239 569370617 /nfs/dbraw/zinc/37/06/17/569370617.db2.gz NQSBLXCOAWSWSF-UGKGYDQZSA-N 0 0 410.926 6.043 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)[C@H]1C ZINC000245327501 571225168 /nfs/dbraw/zinc/22/51/68/571225168.db2.gz JRSBQSZUZWXFKV-HYFFOGBASA-N 0 0 407.945 5.747 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc(Cl)c3)c2)[C@H]1C ZINC000245327503 571225022 /nfs/dbraw/zinc/22/50/22/571225022.db2.gz JRSBQSZUZWXFKV-JLHGSKIFSA-N 0 0 407.945 5.747 50 0 HKAARN CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000245329438 569370598 /nfs/dbraw/zinc/37/05/98/569370598.db2.gz YURJFRWSWCBWMJ-NOZRDPDXSA-N 0 0 402.469 5.855 50 0 HKAARN CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000245329439 569370599 /nfs/dbraw/zinc/37/05/99/569370599.db2.gz YURJFRWSWCBWMJ-ZCYQVOJMSA-N 0 0 402.469 5.855 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)c1 ZINC000245329500 569370606 /nfs/dbraw/zinc/37/06/06/569370606.db2.gz ZULZDMOXEVFFSM-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)c1 ZINC000245329501 569370610 /nfs/dbraw/zinc/37/06/10/569370610.db2.gz ZULZDMOXEVFFSM-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2F)S3)[C@H]1C ZINC000245338648 571225670 /nfs/dbraw/zinc/22/56/70/571225670.db2.gz NNWRPNYWCLQQFN-AXJCFSLFSA-N 0 0 424.541 5.466 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2F)S3)[C@H]1C ZINC000245338649 571225749 /nfs/dbraw/zinc/22/57/49/571225749.db2.gz NNWRPNYWCLQQFN-DAVBVWFFSA-N 0 0 424.541 5.466 50 0 HKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245343009 571225914 /nfs/dbraw/zinc/22/59/14/571225914.db2.gz BOLRBHQKNRDNDU-JXXFODFXSA-N 0 0 416.587 5.223 50 0 HKAARN CCOc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1 ZINC000245343010 571225984 /nfs/dbraw/zinc/22/59/84/571225984.db2.gz BOLRBHQKNRDNDU-RZQQEMMASA-N 0 0 416.587 5.223 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245343064 571225948 /nfs/dbraw/zinc/22/59/48/571225948.db2.gz DCOSOUUXYSNFFW-PMAPCBKXSA-N 0 0 402.538 5.855 50 0 HKAARN CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245343065 571225967 /nfs/dbraw/zinc/22/59/67/571225967.db2.gz DCOSOUUXYSNFFW-YZZKKUAISA-N 0 0 402.538 5.855 50 0 HKAARN CCc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245343142 571225934 /nfs/dbraw/zinc/22/59/34/571225934.db2.gz GKWJZPMELOAVNF-PMAPCBKXSA-N 0 0 418.606 6.503 50 0 HKAARN CCc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000245343143 571226159 /nfs/dbraw/zinc/22/61/59/571226159.db2.gz GKWJZPMELOAVNF-YZZKKUAISA-N 0 0 418.606 6.503 50 0 HKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000245343368 571226042 /nfs/dbraw/zinc/22/60/42/571226042.db2.gz NALBXPGOTZIIIQ-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000245343461 571226146 /nfs/dbraw/zinc/22/61/46/571226146.db2.gz PJUYRRHDCMEULF-VWLOTQADSA-N 0 0 408.948 6.194 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)[C@H]1C ZINC000245343914 571226292 /nfs/dbraw/zinc/22/62/92/571226292.db2.gz WKYHKSZNLZNJIO-DYEKYZERSA-N 0 0 422.476 5.031 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)[C@H]1C ZINC000245343915 571226282 /nfs/dbraw/zinc/22/62/82/571226282.db2.gz WKYHKSZNLZNJIO-MBNYWOFBSA-N 0 0 422.476 5.031 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)[C@H]1C ZINC000245344195 571226310 /nfs/dbraw/zinc/22/63/10/571226310.db2.gz YALKGIISGUKOKI-AZSBJFNGSA-N 0 0 406.551 5.326 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)[C@H]1C ZINC000245344196 571226218 /nfs/dbraw/zinc/22/62/18/571226218.db2.gz YALKGIISGUKOKI-HLTQPUISSA-N 0 0 406.551 5.326 50 0 HKAARN CC1=C[C@@H](C)[C@@H](C2OCC3(COC([C@@H]4[C@H](C)CC(C)=C[C@@H]4C)OC3)CO2)[C@@H](C)C1 ZINC000245377234 571226863 /nfs/dbraw/zinc/22/68/63/571226863.db2.gz JLEHIYGUDHRGOJ-ITURBNFPSA-N 0 0 404.591 5.195 50 0 biogenic HKAARN CC1=C[C@@H](C)[C@@H](C2OCC3(COC([C@H]4[C@@H](C)C=C(C)C[C@@H]4C)OC3)CO2)[C@@H](C)C1 ZINC000245377236 571226907 /nfs/dbraw/zinc/22/69/07/571226907.db2.gz JLEHIYGUDHRGOJ-QASJIEDTSA-N 0 0 404.591 5.195 50 0 biogenic HKAARN CC1=C[C@@H](C)[C@@H](C2OCC3(COC([C@@H]4[C@H](C)CC(C)=C[C@@H]4C)OC3)CO2)[C@H](C)C1 ZINC000245377238 571226879 /nfs/dbraw/zinc/22/68/79/571226879.db2.gz JLEHIYGUDHRGOJ-YZLCKDJGSA-N 0 0 404.591 5.195 50 0 biogenic HKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000245377356 569370566 /nfs/dbraw/zinc/37/05/66/569370566.db2.gz JYEFPAIQNHCQBF-XLIONFOSSA-N 0 0 401.318 6.297 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1C ZINC000245377372 569370586 /nfs/dbraw/zinc/37/05/86/569370586.db2.gz KELPOJPJNQMGFZ-IHBRBHLJSA-N 0 0 407.513 5.546 50 0 HKAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1C ZINC000245377373 569370607 /nfs/dbraw/zinc/37/06/07/569370607.db2.gz KELPOJPJNQMGFZ-NLJWQWLVSA-N 0 0 407.513 5.546 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000245377402 569370597 /nfs/dbraw/zinc/37/05/97/569370597.db2.gz KUEAZOQOMWJIED-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000245377403 569370603 /nfs/dbraw/zinc/37/06/03/569370603.db2.gz KUEAZOQOMWJIED-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000245377591 569370588 /nfs/dbraw/zinc/37/05/88/569370588.db2.gz NBABRPBLANKHGQ-VWNXMTODSA-N 0 0 404.897 5.899 50 0 HKAARN COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000245380142 523809193 /nfs/dbraw/zinc/80/91/93/523809193.db2.gz SBVGYZKXYZKRFK-MESAYYPLSA-N 0 0 420.892 5.232 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000245380233 569370703 /nfs/dbraw/zinc/37/07/03/569370703.db2.gz UPXNRWNCUDFBCR-QPPBQGQZSA-N 0 0 418.880 5.101 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000245380235 569370748 /nfs/dbraw/zinc/37/07/48/569370748.db2.gz UPXNRWNCUDFBCR-URXFXBBRSA-N 0 0 418.880 5.101 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380605 571227101 /nfs/dbraw/zinc/22/71/01/571227101.db2.gz BSTMLQINOXQXHS-AREMUKBSSA-N 0 0 404.529 5.549 50 0 HKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3cccc(Cl)c3)c2C(=O)[O-])[C@H]1C ZINC000245380606 571227185 /nfs/dbraw/zinc/22/71/85/571227185.db2.gz BXYJZBZGBLFTGF-HYFFOGBASA-N 0 0 424.972 5.956 50 0 HKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3cccc(Cl)c3)c2C(=O)[O-])[C@H]1C ZINC000245380607 571227049 /nfs/dbraw/zinc/22/70/49/571227049.db2.gz BXYJZBZGBLFTGF-JLHGSKIFSA-N 0 0 424.972 5.956 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000245380608 571227082 /nfs/dbraw/zinc/22/70/82/571227082.db2.gz CBBBBDUJOXHEOH-MHZLTWQESA-N 0 0 400.566 5.719 50 0 HKAARN CCc1ccccc1Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2n1 ZINC000245380611 571227091 /nfs/dbraw/zinc/22/70/91/571227091.db2.gz CJQGUUZCFRQIFO-JBYIUTFZSA-N 0 0 401.554 6.095 50 0 HKAARN CCc1ccccc1Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc2n1 ZINC000245380612 571227080 /nfs/dbraw/zinc/22/70/80/571227080.db2.gz CJQGUUZCFRQIFO-NJNPRVFISA-N 0 0 401.554 6.095 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000245380628 571227159 /nfs/dbraw/zinc/22/71/59/571227159.db2.gz DGJHJHYCRJZDDD-MHZLTWQESA-N 0 0 416.565 5.419 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000245380647 571227111 /nfs/dbraw/zinc/22/71/11/571227111.db2.gz FIPLEIJMVJGFNM-AREMUKBSSA-N 0 0 420.528 5.250 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2F)c(OC)c1 ZINC000245380671 569370743 /nfs/dbraw/zinc/37/07/43/569370743.db2.gz GTJPKZUHLSDTIJ-QPPBQGQZSA-N 0 0 404.441 5.085 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2F)c(OC)c1 ZINC000245380672 569370762 /nfs/dbraw/zinc/37/07/62/569370762.db2.gz GTJPKZUHLSDTIJ-URXFXBBRSA-N 0 0 404.441 5.085 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000245380783 571227397 /nfs/dbraw/zinc/22/73/97/571227397.db2.gz LZVTWYGFQNUVCU-SANMLTNESA-N 0 0 420.984 6.064 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccccc3F)[C@H]2c2ccccc2Cl)c1 ZINC000245380834 571227334 /nfs/dbraw/zinc/22/73/34/571227334.db2.gz OVVBJELCPHKSOM-VWLOTQADSA-N 0 0 424.947 5.894 50 0 HKAARN COc1cccc(CN2CCCN(Cc3ccccc3F)[C@H]2c2ccccc2OC)c1 ZINC000245380862 571227351 /nfs/dbraw/zinc/22/73/51/571227351.db2.gz QEADDYNXBFQNNJ-SANMLTNESA-N 0 0 420.528 5.250 50 0 HKAARN CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245380863 571227283 /nfs/dbraw/zinc/22/72/83/571227283.db2.gz QEKLALWZTAKURG-RUZDIDTESA-N 0 0 408.492 5.380 50 0 HKAARN CCN(c1c(C)cccc1C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245380899 571227348 /nfs/dbraw/zinc/22/73/48/571227348.db2.gz SYVOVSSIPBGIMB-NHCUHLMSSA-N 0 0 421.006 5.073 50 0 HKAARN CCN(c1c(C)cccc1C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245380900 571227399 /nfs/dbraw/zinc/22/73/99/571227399.db2.gz SYVOVSSIPBGIMB-RTWAWAEBSA-N 0 0 421.006 5.073 50 0 HKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)N[C@H]4CCCc5ccccc54)C3)nc2c(C)c1 ZINC000245380986 571227354 /nfs/dbraw/zinc/22/73/54/571227354.db2.gz ZFFDCCWQIPPJEY-CTNGQTDRSA-N 0 0 419.594 5.323 50 0 HKAARN Cc1cc2sc(N3CCC[C@H](C(=O)N[C@H]4CCCc5ccccc54)C3)nc2c(C)c1 ZINC000245380987 571227310 /nfs/dbraw/zinc/22/73/10/571227310.db2.gz ZFFDCCWQIPPJEY-FPOVZHCZSA-N 0 0 419.594 5.323 50 0 HKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O ZINC000245391856 571227991 /nfs/dbraw/zinc/22/79/91/571227991.db2.gz FDGCFEWJEHAVJT-DIFULESESA-N 0 0 413.001 6.018 50 0 HKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O ZINC000245391858 571228058 /nfs/dbraw/zinc/22/80/58/571228058.db2.gz FDGCFEWJEHAVJT-HQVDBZEFSA-N 0 0 413.001 6.018 50 0 HKAARN COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000245391881 571228076 /nfs/dbraw/zinc/22/80/76/571228076.db2.gz MDGYGSZQYJUTBN-RXOISRMYSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000245391883 571227928 /nfs/dbraw/zinc/22/79/28/571227928.db2.gz MDGYGSZQYJUTBN-ZBBBRXIGSA-N 0 0 408.582 5.373 50 0 HKAARN O=C1O[C@]2(C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N42)c2ccccc21 ZINC000247314357 527102298 /nfs/dbraw/zinc/10/22/98/527102298.db2.gz JQKXIOGQANFJIF-JGZRHYTASA-N 0 0 422.528 6.016 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccs2)cc1 ZINC000247512776 569370711 /nfs/dbraw/zinc/37/07/11/569370711.db2.gz IUMXMODYAXVCHJ-XLIONFOSSA-N 0 0 419.308 6.436 50 0 HKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2C(F)(F)F)cc1 ZINC000247536222 526327847 /nfs/dbraw/zinc/32/78/47/526327847.db2.gz QOOALVDQAXWPFZ-IRLDBZIGSA-N 0 0 412.386 6.087 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000247537237 559077804 /nfs/dbraw/zinc/07/78/04/559077804.db2.gz AMNBDMZNFAQUHN-TWNXKPCMSA-N 0 0 402.707 7.715 50 0 HKAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000247740936 559114597 /nfs/dbraw/zinc/11/45/97/559114597.db2.gz NWGLJVNVLVWDOX-FUPPJEDESA-N 0 0 414.553 5.082 50 0 HKAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000247740942 559114593 /nfs/dbraw/zinc/11/45/93/559114593.db2.gz NWGLJVNVLVWDOX-QNWVGRARSA-N 0 0 414.553 5.082 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000247753089 569370833 /nfs/dbraw/zinc/37/08/33/569370833.db2.gz UQVFRDYSNFTPFB-NEWJYFPISA-N 0 0 415.920 5.807 50 0 HKAARN O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000247753174 559116986 /nfs/dbraw/zinc/11/69/86/559116986.db2.gz UUEZFPBYCYDAJA-IRXDYDNUSA-N 0 0 416.135 5.810 50 0 HKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000247754067 559116971 /nfs/dbraw/zinc/11/69/71/559116971.db2.gz UZEWGRHVXGUQIP-NVXDSCFRSA-N 0 0 413.904 5.583 50 0 HKAARN O[C@]1(c2ccccc2)[C@H](c2ccccc2)C[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000247848473 569371007 /nfs/dbraw/zinc/37/10/07/569371007.db2.gz FTSXSXLOHBZBNZ-QUAHOIDUSA-N 0 0 406.525 5.733 50 0 HKAARN O[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000247848476 569370978 /nfs/dbraw/zinc/37/09/78/569370978.db2.gz FTSXSXLOHBZBNZ-VJLHXPKFSA-N 0 0 406.525 5.733 50 0 HKAARN CC[C@](C)(CC(=O)NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000247863439 559177113 /nfs/dbraw/zinc/17/71/13/559177113.db2.gz HFPBLUHWOVFWSL-KSCKTEMCSA-N 0 0 421.625 6.240 50 0 HKAARN CC[C@](C)(CC(=O)NCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000247863441 559177126 /nfs/dbraw/zinc/17/71/26/559177126.db2.gz HFPBLUHWOVFWSL-YRLRHBCXSA-N 0 0 421.625 6.240 50 0 HKAARN CC1(C)C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000247870966 569370988 /nfs/dbraw/zinc/37/09/88/569370988.db2.gz KZSPFWUYMYGYBL-QNRWOPMTSA-N 0 0 416.608 8.552 50 0 HKAARN CC1(C)C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000247870967 569370977 /nfs/dbraw/zinc/37/09/77/569370977.db2.gz KZSPFWUYMYGYBL-YXOGWZJSSA-N 0 0 416.608 8.552 50 0 HKAARN Cc1nc2sc3c(c2c(N2CCC[C@H]2c2ccc4c(c2)OCCO4)n1)CC[C@H](C)C3 ZINC000247940813 559256122 /nfs/dbraw/zinc/25/61/22/559256122.db2.gz GJCGLACIQVETGQ-KSSFIOAISA-N 0 0 421.566 5.237 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000247943025 525533555 /nfs/dbraw/zinc/53/35/55/525533555.db2.gz JFDHIMAJTWDPBB-ASOIFQSJSA-N 0 0 418.533 5.334 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000247943029 569370987 /nfs/dbraw/zinc/37/09/87/569370987.db2.gz JFDHIMAJTWDPBB-AWUNEUTJSA-N 0 0 418.533 5.334 50 0 HKAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000247943034 569371016 /nfs/dbraw/zinc/37/10/16/569371016.db2.gz JFDHIMAJTWDPBB-YVXPVPDCSA-N 0 0 418.533 5.334 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000247956427 569370989 /nfs/dbraw/zinc/37/09/89/569370989.db2.gz OJCPLSUAIPAHEA-UPVQGACJSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000247956429 569370979 /nfs/dbraw/zinc/37/09/79/569370979.db2.gz OJCPLSUAIPAHEA-VWNXMTODSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=C(Sc3ccc(F)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000247984048 559258618 /nfs/dbraw/zinc/25/86/18/559258618.db2.gz YILGBDSKRAUSBG-NDEPHWFRSA-N 0 0 412.507 5.582 50 0 HKAARN COc1ccc(C2=C(Sc3ccc(F)cc3)c3ccc(OC)cc3[S@]2=O)cc1 ZINC000247984054 559258602 /nfs/dbraw/zinc/25/86/02/559258602.db2.gz YILGBDSKRAUSBG-MUUNZHRXSA-N 0 0 412.507 5.582 50 0 HKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000247984316 523418369 /nfs/dbraw/zinc/41/83/69/523418369.db2.gz YMJKZILDEATXRU-BFHIZKDQSA-N 0 0 404.550 5.614 50 0 HKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000247984322 523418464 /nfs/dbraw/zinc/41/84/64/523418464.db2.gz YMJKZILDEATXRU-GOXDUAPNSA-N 0 0 404.550 5.614 50 0 HKAARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000247984327 569371129 /nfs/dbraw/zinc/37/11/29/569371129.db2.gz YMJKZILDEATXRU-HVDXKDEOSA-N 0 0 404.550 5.614 50 0 HKAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]12 ZINC000248020399 569371117 /nfs/dbraw/zinc/37/11/17/569371117.db2.gz LVPNZRZEDKYINV-RBBKRZOGSA-N 0 0 413.443 5.030 50 0 HKAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]12 ZINC000248020401 569371116 /nfs/dbraw/zinc/37/11/16/569371116.db2.gz LVPNZRZEDKYINV-UNMCSNQZSA-N 0 0 413.443 5.030 50 0 HKAARN COc1ccc(C2=C(Sc3ccc(C)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000248028381 559260050 /nfs/dbraw/zinc/26/00/50/559260050.db2.gz OZAGQWBWALYFMS-NDEPHWFRSA-N 0 0 408.544 5.752 50 0 HKAARN COc1ccc(C2=C(Sc3ccc(C)cc3)c3ccc(OC)cc3[S@]2=O)cc1 ZINC000248028386 559260014 /nfs/dbraw/zinc/26/00/14/559260014.db2.gz OZAGQWBWALYFMS-MUUNZHRXSA-N 0 0 408.544 5.752 50 0 HKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@H]12 ZINC000248040112 569371115 /nfs/dbraw/zinc/37/11/15/569371115.db2.gz SMLTWUCDEBEXBR-RBBKRZOGSA-N 0 0 414.336 5.318 50 0 HKAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@H]12 ZINC000248040116 569371113 /nfs/dbraw/zinc/37/11/13/569371113.db2.gz SMLTWUCDEBEXBR-UNMCSNQZSA-N 0 0 414.336 5.318 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)[C@H]1C ZINC000248057816 559260889 /nfs/dbraw/zinc/26/08/89/559260889.db2.gz CGZDFCXUKIMDFU-GQIGUUNPSA-N 0 0 402.494 5.185 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)[C@H]1C ZINC000248057823 559260881 /nfs/dbraw/zinc/26/08/81/559260881.db2.gz CGZDFCXUKIMDFU-GUXCAODWSA-N 0 0 402.494 5.185 50 0 HKAARN Cc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 ZINC000248058112 569371150 /nfs/dbraw/zinc/37/11/50/569371150.db2.gz CLEPDLDNNVKAJL-MQVPCNEGSA-N 0 0 401.531 5.569 50 0 HKAARN Cc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 ZINC000248058118 569371136 /nfs/dbraw/zinc/37/11/36/569371136.db2.gz CLEPDLDNNVKAJL-UODBTFMRSA-N 0 0 401.531 5.569 50 0 HKAARN O=C1c2cccc3cccc(c23)[C@H]1[C@H](c1ccccc1)[C@H]1c2cccc3cccc(c23)C1=O ZINC000248071628 569371148 /nfs/dbraw/zinc/37/11/48/569371148.db2.gz YKIFECBUSDHHTD-HNJRQWSBSA-N 0 0 424.499 7.037 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000248079945 569371138 /nfs/dbraw/zinc/37/11/38/569371138.db2.gz JLHVMQFQNUTDSP-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000248080086 569371145 /nfs/dbraw/zinc/37/11/45/569371145.db2.gz JLHVMQFQNUTDSP-GMAHTHKFSA-N 0 0 409.316 6.544 50 0 HKAARN C[C@@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000248088070 569371114 /nfs/dbraw/zinc/37/11/14/569371114.db2.gz LRIHIWBTHWOYBB-KDQXKPLTSA-N 0 0 402.581 8.161 50 0 HKAARN C[C@@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000248088077 569371158 /nfs/dbraw/zinc/37/11/58/569371158.db2.gz LRIHIWBTHWOYBB-MOGMISEOSA-N 0 0 402.581 8.161 50 0 HKAARN C[C@@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000248088084 569371149 /nfs/dbraw/zinc/37/11/49/569371149.db2.gz LRIHIWBTHWOYBB-QVENIAOXSA-N 0 0 402.581 8.161 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000248089335 569371154 /nfs/dbraw/zinc/37/11/54/569371154.db2.gz LWPFKCPDXILEFX-VWNXMTODSA-N 0 0 404.897 5.899 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000248095550 559262666 /nfs/dbraw/zinc/26/26/66/559262666.db2.gz NWJZJHDDJVTZBA-GMAHTHKFSA-N 0 0 408.423 6.256 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C)cc1Cl ZINC000248122023 520929459 /nfs/dbraw/zinc/92/94/59/520929459.db2.gz YBEJGCJYDDAMPR-DHLKQENFSA-N 0 0 418.924 6.289 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2C)cc1Cl ZINC000248122025 569371112 /nfs/dbraw/zinc/37/11/12/569371112.db2.gz YBEJGCJYDDAMPR-RDGATRHJSA-N 0 0 418.924 6.289 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1OC ZINC000248134188 569371159 /nfs/dbraw/zinc/37/11/59/569371159.db2.gz MHPRGWUBDGDGAT-RDPSFJRHSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1OC ZINC000248134198 569371123 /nfs/dbraw/zinc/37/11/23/569371123.db2.gz MHPRGWUBDGDGAT-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc([C@@H]2C[C@]23CCC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000248136519 525265626 /nfs/dbraw/zinc/26/56/26/525265626.db2.gz NSCNIUYSTKSCBT-CTOUCQIYSA-N 0 0 422.521 5.122 50 0 HKAARN COc1ccc([C@@H]2C[C@]23CCC[C@@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000248136520 559265232 /nfs/dbraw/zinc/26/52/32/559265232.db2.gz NSCNIUYSTKSCBT-QSCAOHDJSA-N 0 0 422.521 5.122 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1OC ZINC000248147345 569371354 /nfs/dbraw/zinc/37/13/54/569371354.db2.gz YCKRABWSUMEZIF-RDPSFJRHSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1OC ZINC000248147350 569371293 /nfs/dbraw/zinc/37/12/93/569371293.db2.gz YCKRABWSUMEZIF-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HKAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)[C@H]1C ZINC000248161470 559266093 /nfs/dbraw/zinc/26/60/93/559266093.db2.gz OXFMZAZIXFTUMM-RVKKMQEKSA-N 0 0 400.975 5.959 50 0 HKAARN C[C@@H]1CCC[C@H](NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)[C@H]1C ZINC000248161473 559266096 /nfs/dbraw/zinc/26/60/96/559266096.db2.gz OXFMZAZIXFTUMM-VKJFTORMSA-N 0 0 400.975 5.959 50 0 HKAARN CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000248168748 569371301 /nfs/dbraw/zinc/37/13/01/569371301.db2.gz QGVHXFRFMBIZJE-BECYFUDQSA-N 0 0 422.653 7.581 50 0 HKAARN CC(C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000248168751 569371254 /nfs/dbraw/zinc/37/12/54/569371254.db2.gz QGVHXFRFMBIZJE-CJJAHIKNSA-N 0 0 422.653 7.581 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000248179640 569371494 /nfs/dbraw/zinc/37/14/94/569371494.db2.gz CQBOASORTGPFAK-URXFXBBRSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000248184623 569371486 /nfs/dbraw/zinc/37/14/86/569371486.db2.gz GSYJLKIGIRYEBM-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000248184627 569371505 /nfs/dbraw/zinc/37/15/05/569371505.db2.gz GSYJLKIGIRYEBM-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000248184645 569371451 /nfs/dbraw/zinc/37/14/51/569371451.db2.gz GUHSLWYYAGMEFA-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 ZINC000248184649 569371471 /nfs/dbraw/zinc/37/14/71/569371471.db2.gz GUHSLWYYAGMEFA-GMAHTHKFSA-N 0 0 408.860 5.730 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000248184759 569371446 /nfs/dbraw/zinc/37/14/46/569371446.db2.gz GWLICBRYZOINPN-NOZRDPDXSA-N 0 0 400.478 5.336 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000248184763 569371496 /nfs/dbraw/zinc/37/14/96/569371496.db2.gz GWLICBRYZOINPN-ZCYQVOJMSA-N 0 0 400.478 5.336 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3C(C)C)cc1OC ZINC000248189250 569371445 /nfs/dbraw/zinc/37/14/45/569371445.db2.gz JRAZUURDSZAUTD-UTKZUKDTSA-N 0 0 421.324 5.536 50 0 HKAARN CC(C)[C@H](CC(=O)NCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000248230360 559269062 /nfs/dbraw/zinc/26/90/62/559269062.db2.gz ABWOYWSDRKZXNC-VABKMULXSA-N 0 0 411.586 5.905 50 0 biogenic HKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)c(F)c2)c1 ZINC000248243401 525858934 /nfs/dbraw/zinc/85/89/34/525858934.db2.gz KFRXGTAEPNOWOS-QPPBQGQZSA-N 0 0 422.431 5.224 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)c(F)c2)c1 ZINC000248243402 569371659 /nfs/dbraw/zinc/37/16/59/569371659.db2.gz KFRXGTAEPNOWOS-URXFXBBRSA-N 0 0 422.431 5.224 50 0 HKAARN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000248246191 569371602 /nfs/dbraw/zinc/37/16/02/569371602.db2.gz HCXVJBMSMIARIN-LVWDDHEPSA-N 0 0 412.702 7.801 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OC)c1 ZINC000248247036 569371606 /nfs/dbraw/zinc/37/16/06/569371606.db2.gz MUHKSDVPTPALKA-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OC)c1 ZINC000248247041 569371639 /nfs/dbraw/zinc/37/16/39/569371639.db2.gz MUHKSDVPTPALKA-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000248252392 569371640 /nfs/dbraw/zinc/37/16/40/569371640.db2.gz QDYWNRZXNRZJDX-QPPBQGQZSA-N 0 0 418.880 5.101 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(=O)c2ccccc2)cc1 ZINC000248252394 569371615 /nfs/dbraw/zinc/37/16/15/569371615.db2.gz QDYWNRZXNRZJDX-URXFXBBRSA-N 0 0 418.880 5.101 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000248254850 569371732 /nfs/dbraw/zinc/37/17/32/569371732.db2.gz RPHYZZHFKOFWGP-OFNKIYASSA-N 0 0 408.860 5.730 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2c(F)cccc2Cl)cc1 ZINC000248254851 569371771 /nfs/dbraw/zinc/37/17/71/569371771.db2.gz RPHYZZHFKOFWGP-REWPJTCUSA-N 0 0 408.860 5.730 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccsc2)cc1 ZINC000248256312 520931464 /nfs/dbraw/zinc/93/14/64/520931464.db2.gz SSWOYWYZAORXFQ-OFNKIYASSA-N 0 0 406.507 5.398 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccsc2)cc1 ZINC000248256315 559269586 /nfs/dbraw/zinc/26/95/86/559269586.db2.gz SSWOYWYZAORXFQ-REWPJTCUSA-N 0 0 406.507 5.398 50 0 HKAARN CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000248256706 291275606 /nfs/dbraw/zinc/27/56/06/291275606.db2.gz KZJWDPNRJALLNS-FCSYGDNISA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000248258072 569371789 /nfs/dbraw/zinc/37/17/89/569371789.db2.gz VIBBLWWRIXYIGT-SLJZOSTFSA-N 0 0 402.619 6.194 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248259573 519648325 /nfs/dbraw/zinc/64/83/25/519648325.db2.gz LZHRRGGNNXYJOT-UVKIQIBRSA-N 0 0 402.663 6.360 50 0 HKAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)c1 ZINC000248260193 525859360 /nfs/dbraw/zinc/85/93/60/525859360.db2.gz VTRIQAINEKLPKE-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000248260224 569371786 /nfs/dbraw/zinc/37/17/86/569371786.db2.gz VVFXCDVAXIXGDV-UPVQGACJSA-N 0 0 422.431 5.224 50 0 HKAARN CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@H](c3ccccc3)[C@H](/C=C/c3ccccc3)[C@H]21 ZINC000248263523 559269509 /nfs/dbraw/zinc/26/95/09/559269509.db2.gz RKLFVJNLWODOCW-BOPOZLELSA-N 0 0 423.556 6.279 50 0 HKAARN CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@H](c3ccccc3)[C@H](/C=C/c3ccccc3)[C@@H]21 ZINC000248263526 559269445 /nfs/dbraw/zinc/26/94/45/559269445.db2.gz RKLFVJNLWODOCW-GEUXIRPESA-N 0 0 423.556 6.279 50 0 HKAARN CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@H]21 ZINC000248263529 559269505 /nfs/dbraw/zinc/26/95/05/559269505.db2.gz RKLFVJNLWODOCW-JWRJDZJHSA-N 0 0 423.556 6.279 50 0 HKAARN CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@@H]21 ZINC000248263532 559269459 /nfs/dbraw/zinc/26/94/59/559269459.db2.gz RKLFVJNLWODOCW-ZTOXTDIZSA-N 0 0 423.556 6.279 50 0 HKAARN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@H]23)C1 ZINC000248332668 569371761 /nfs/dbraw/zinc/37/17/61/569371761.db2.gz IZEANLPYPIOHKC-KFFNELGHSA-N 0 0 404.591 5.839 50 0 HKAARN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]23)C1 ZINC000248332671 569371806 /nfs/dbraw/zinc/37/18/06/569371806.db2.gz IZEANLPYPIOHKC-KJKYQRBXSA-N 0 0 404.591 5.839 50 0 HKAARN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)C1 ZINC000248332673 569371772 /nfs/dbraw/zinc/37/17/72/569371772.db2.gz IZEANLPYPIOHKC-XBCZOFBYSA-N 0 0 404.591 5.839 50 0 HKAARN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]23)C1 ZINC000248332675 569371785 /nfs/dbraw/zinc/37/17/85/569371785.db2.gz IZEANLPYPIOHKC-YPOWJLFHSA-N 0 0 404.591 5.839 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccccn2)cc1 ZINC000248377437 568917483 /nfs/dbraw/zinc/91/74/83/568917483.db2.gz GQIQXMCBRHJHTO-DHLKQENFSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccccn2)cc1 ZINC000248377438 568917392 /nfs/dbraw/zinc/91/73/92/568917392.db2.gz GQIQXMCBRHJHTO-RDGATRHJSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2OCC)cc1 ZINC000248378223 569371803 /nfs/dbraw/zinc/37/18/03/569371803.db2.gz IWZMOHJGSVNWQJ-BVAGGSTKSA-N 0 0 414.505 5.726 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2OCC)cc1 ZINC000248378224 569371763 /nfs/dbraw/zinc/37/17/63/569371763.db2.gz IWZMOHJGSVNWQJ-OZXSUGGESA-N 0 0 414.505 5.726 50 0 HKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000248378944 569371751 /nfs/dbraw/zinc/37/17/51/569371751.db2.gz LCINYWGSCGDGIS-ZQMNHBKWSA-N 0 0 400.603 6.066 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccsc2)cc1 ZINC000248379627 568917481 /nfs/dbraw/zinc/91/74/81/568917481.db2.gz NLEDJEWAOGNQHZ-QPPBQGQZSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccsc2)cc1 ZINC000248379628 568917407 /nfs/dbraw/zinc/91/74/07/568917407.db2.gz NLEDJEWAOGNQHZ-URXFXBBRSA-N 0 0 420.534 5.788 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccncc2)cc1 ZINC000248380009 568917499 /nfs/dbraw/zinc/91/74/99/568917499.db2.gz OQSFXQXBUVFXKX-DHLKQENFSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@H]3c2ccncc2)cc1 ZINC000248380010 568917503 /nfs/dbraw/zinc/91/75/03/568917503.db2.gz OQSFXQXBUVFXKX-RDGATRHJSA-N 0 0 415.493 5.121 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2F)cc1Cl ZINC000248380456 569371963 /nfs/dbraw/zinc/37/19/63/569371963.db2.gz QDHRKMZQZDBMLG-QPPBQGQZSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2F)cc1Cl ZINC000248380457 569371979 /nfs/dbraw/zinc/37/19/79/569371979.db2.gz QDHRKMZQZDBMLG-URXFXBBRSA-N 0 0 422.887 6.120 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000248381169 569371942 /nfs/dbraw/zinc/37/19/42/569371942.db2.gz SIHCEYRKVAWZGQ-UPVQGACJSA-N 0 0 404.897 5.981 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000248381170 569371941 /nfs/dbraw/zinc/37/19/41/569371941.db2.gz SIHCEYRKVAWZGQ-VWNXMTODSA-N 0 0 404.897 5.981 50 0 HKAARN C[C@H](NC(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 ZINC000248381407 568917857 /nfs/dbraw/zinc/91/78/57/568917857.db2.gz SZFCEKCSMKSNRQ-WNSKOXEYSA-N 0 0 422.575 5.381 50 0 HKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000248382290 568917813 /nfs/dbraw/zinc/91/78/13/568917813.db2.gz WKXCHRKDEFDEGC-IRLDBZIGSA-N 0 0 410.926 6.043 50 0 HKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000248382291 568917863 /nfs/dbraw/zinc/91/78/63/568917863.db2.gz WKXCHRKDEFDEGC-UNMCSNQZSA-N 0 0 410.926 6.043 50 0 HKAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000249699122 569030213 /nfs/dbraw/zinc/03/02/13/569030213.db2.gz WQLVFSAGQJTQCK-SFIJRIRHSA-N 0 0 414.630 5.714 50 0 HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000250765235 569371915 /nfs/dbraw/zinc/37/19/15/569371915.db2.gz ZSUHSKYVVTXINZ-GKRGNGORSA-N 0 0 414.586 5.593 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000250765237 569371944 /nfs/dbraw/zinc/37/19/44/569371944.db2.gz ZSUHSKYVVTXINZ-OIWIVLMESA-N 0 0 414.586 5.593 50 0 biogenic HKAARN CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000252383409 560041232 /nfs/dbraw/zinc/04/12/32/560041232.db2.gz ZNMDYRBJLIGPMV-GLWLZKIPSA-N 0 0 421.556 5.857 50 0 biogenic,in-vitro HKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252426431 569285184 /nfs/dbraw/zinc/28/51/84/569285184.db2.gz BHWKXKHBCVBVDP-ABZYFUGNSA-N 0 0 418.577 6.144 50 0 HKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252426432 569285189 /nfs/dbraw/zinc/28/51/89/569285189.db2.gz BHWKXKHBCVBVDP-XOMGTZDGSA-N 0 0 418.577 6.144 50 0 HKAARN CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CCC[C@H](O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252427249 569285209 /nfs/dbraw/zinc/28/52/09/569285209.db2.gz YWBIWJVDJBDZFV-CIIFQBMXSA-N 0 0 402.619 5.906 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@H]2S1 ZINC000252428062 525456785 /nfs/dbraw/zinc/45/67/85/525456785.db2.gz PCCPROCGFPNVMC-GCUJQHFUSA-N 0 0 403.853 5.825 50 0 HKAARN C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]2C=C(Cl)C=C[C@H]2S1 ZINC000252428063 569285292 /nfs/dbraw/zinc/28/52/92/569285292.db2.gz PCCPROCGFPNVMC-HGGPSHQYSA-N 0 0 403.853 5.825 50 0 HKAARN Clc1ccc2nc(N=NCc3cccc4ncccc34)nc(-c3ccccc3)c2c1 ZINC000252452580 569286514 /nfs/dbraw/zinc/28/65/14/569286514.db2.gz PRCAVXUZTQAVSY-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN Clc1ccc2nc(N=NCc3ccnc4ccccc34)nc(-c3ccccc3)c2c1 ZINC000252452626 569286467 /nfs/dbraw/zinc/28/64/67/569286467.db2.gz RWWBOKSJUMJOJX-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN Clc1ccc2nc(NN=Cc3ccc4nccnc4c3)cc(-c3ccccc3)c2c1 ZINC000252452753 569286444 /nfs/dbraw/zinc/28/64/44/569286444.db2.gz ZXFLVPNJCUGBNJ-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN Clc1ccc2nc(N=NCc3cccc4cccnc43)nc(-c3ccccc3)c2c1 ZINC000252453036 569286352 /nfs/dbraw/zinc/28/63/52/569286352.db2.gz XWMAXNLYXZOHAJ-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN CCN(CC)c1ccc(CN=Nc2nc3ccc(C)cc3c(-c3ccccc3)n2)cc1 ZINC000252458540 569059469 /nfs/dbraw/zinc/05/94/69/569059469.db2.gz QAJWOGYOPKGQNW-UHFFFAOYSA-N 0 0 409.537 5.897 50 0 HKAARN CCN(CC)c1ccc(CN=Nc2nc3ccccc3c(-c3ccc(C)cc3)n2)cc1 ZINC000252458584 569059474 /nfs/dbraw/zinc/05/94/74/569059474.db2.gz VFABZSORHKJQLJ-UHFFFAOYSA-N 0 0 409.537 5.897 50 0 HKAARN Clc1ccc(-c2nc(N=NCc3ccc4ccccc4n3)nc3ccccc32)cc1 ZINC000252475051 569288111 /nfs/dbraw/zinc/28/81/11/569288111.db2.gz RQQWAPINFUEILD-UHFFFAOYSA-N 0 0 409.880 5.944 50 0 HKAARN CC(N=Nc1ccc(Cl)nn1)c1ccc(-c2ccccc2Br)s1 ZINC000252475339 569288091 /nfs/dbraw/zinc/28/80/91/569288091.db2.gz YPUWJOGGUSZMTG-UHFFFAOYSA-N 0 0 407.724 5.457 50 0 HKAARN Cc1c(N=c2scc(-c3ccccc3)n2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000252477666 569288535 /nfs/dbraw/zinc/28/85/35/569288535.db2.gz SHUFCMDRWVPUMS-UHFFFAOYSA-N 0 0 418.566 5.002 50 0 HKAARN C[C@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000252484827 569289193 /nfs/dbraw/zinc/28/91/93/569289193.db2.gz GIZCPQQTBOPRCW-CYBMUJFWSA-N 0 0 401.495 5.010 50 0 HKAARN C[C@@H](c1nc2ccccc2[nH]1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000252484828 569289156 /nfs/dbraw/zinc/28/91/56/569289156.db2.gz GIZCPQQTBOPRCW-ZDUSSCGKSA-N 0 0 401.495 5.010 50 0 HKAARN Cn1cc(CCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252490716 569387661 /nfs/dbraw/zinc/38/76/61/569387661.db2.gz KZNKWURQNHRKKO-HSZRJFAPSA-N 0 0 400.526 5.131 50 0 HKAARN Cn1cc(CCCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252490717 569387643 /nfs/dbraw/zinc/38/76/43/569387643.db2.gz KZNKWURQNHRKKO-QHCPKHFHSA-N 0 0 400.526 5.131 50 0 HKAARN CCCC(CCC)C(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1 ZINC000252493607 569290747 /nfs/dbraw/zinc/29/07/47/569290747.db2.gz NDUJLBYCOMDBIP-UHFFFAOYSA-N 0 0 409.961 7.095 50 0 HKAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2)cc1 ZINC000252494294 569290708 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569319227 /nfs/dbraw/zinc/31/92/27/569319227.db2.gz KIRTWUVQXPNNFB-UHFFFAOYSA-N 0 0 412.580 5.720 50 0 HKAARN CCCCCCc1cc2cc(C(N)=O)c(=Nc3cccc4ccccc43)oc2cc1O ZINC000252670379 569319244 /nfs/dbraw/zinc/31/92/44/569319244.db2.gz KKIYVIWETXKTNL-UHFFFAOYSA-N 0 0 414.505 5.746 50 0 HKAARN CCOC(=O)c1cccc(N=c2cc(-c3ccc(OC)cc3)oc3ccc(O)cc32)c1 ZINC000252670382 569319249 /nfs/dbraw/zinc/31/92/49/569319249.db2.gz KKSAMMJJBNIENM-UHFFFAOYSA-N 0 0 415.445 5.223 50 0 HKAARN COc1ccc2oc(=Nc3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000252670456 569319255 /nfs/dbraw/zinc/31/92/55/569319255.db2.gz KQHXZCGALIEVDV-UHFFFAOYSA-N 0 0 401.853 5.871 50 0 HKAARN Brc1ccc(-c2csc(=Nc3nccs3)n2-c2ccccc2)cc1 ZINC000252670610 569319270 /nfs/dbraw/zinc/31/92/70/569319270.db2.gz LDDHMMAWVRXJFJ-UHFFFAOYSA-N 0 0 414.353 5.657 50 0 HKAARN Cc1ccsc1C=c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1=O ZINC000252670673 569319367 /nfs/dbraw/zinc/31/93/67/569319367.db2.gz LIZAVMADENZOMC-UHFFFAOYSA-N 0 0 400.528 5.008 50 0 HKAARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=Nc2cccc(C(F)(F)F)c2)cc1 ZINC000252670834 569319397 /nfs/dbraw/zinc/31/93/97/569319397.db2.gz LTVBVXFCTASROC-UHFFFAOYSA-N 0 0 422.406 6.245 50 0 HKAARN CCCn1c(-c2ccc(C3CCCCC3)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000252670851 569319380 /nfs/dbraw/zinc/31/93/80/569319380.db2.gz LVQMMTUEQGOMPI-UHFFFAOYSA-N 0 0 411.014 7.560 50 0 HKAARN COc1ccc2c(c1)-c1c(ssc1=Nc1ccc(Cl)c(Cl)c1)C(C)(C)N2 ZINC000252670856 569319399 /nfs/dbraw/zinc/31/93/99/569319399.db2.gz LWELCBGYESIJCS-UHFFFAOYSA-N 0 0 423.390 6.685 50 0 HKAARN COc1ccc2c(c1)-c1c(ssc1=Nc1cc(Cl)ccc1Cl)C(C)(C)N2 ZINC000252670879 569319368 /nfs/dbraw/zinc/31/93/68/569319368.db2.gz LXYAETBZFMFWOT-UHFFFAOYSA-N 0 0 423.390 6.685 50 0 HKAARN COc1ccc(NC(=O)c2cc3ccccc3oc2=Nc2ccccc2Cl)cc1 ZINC000252670915 569319362 /nfs/dbraw/zinc/31/93/62/569319362.db2.gz MAYDEEDKUAVWKO-UHFFFAOYSA-N 0 0 404.853 5.580 50 0 HKAARN COc1ccc(N=c2oc3ccc(Cl)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000252670916 569319391 /nfs/dbraw/zinc/31/93/91/569319391.db2.gz 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571048527 /nfs/dbraw/zinc/04/85/27/571048527.db2.gz QXYJSPUBVIIGRW-UHFFFAOYSA-N 0 0 400.503 5.534 50 0 HKAARN COc1ccc(-c2csc(=Nc3cccc(C)c3C)n2-c2cccc(C)c2C)cc1 ZINC000252673683 569319534 /nfs/dbraw/zinc/31/95/34/569319534.db2.gz RJYAVINSBDCSJS-UHFFFAOYSA-N 0 0 414.574 6.680 50 0 HKAARN CCc1ccc(-c2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)cc1 ZINC000252674461 569319536 /nfs/dbraw/zinc/31/95/36/569319536.db2.gz SEFHWLLFAVHMNM-UHFFFAOYSA-N 0 0 400.547 6.068 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ssc1=Nc1ccc(F)c(Cl)c1)C(C)(C)N2 ZINC000252674751 569319535 /nfs/dbraw/zinc/31/95/35/569319535.db2.gz SLWUWPDHWJUQAA-UHFFFAOYSA-N 0 0 420.962 6.561 50 0 HKAARN Cc1cccc2c1NC(C)(C)c1ssc(=Nc3ccc(Cl)cc3Cl)c1-2 ZINC000252675065 569319491 /nfs/dbraw/zinc/31/94/91/569319491.db2.gz SUUZKVLOJZIAHE-UHFFFAOYSA-N 0 0 407.391 6.985 50 0 HKAARN Cn1c2ccccc2oc1=Nc1ccc(N=c2oc3ccccc3n2C)c2ccccc12 ZINC000252675102 569319472 /nfs/dbraw/zinc/31/94/72/569319472.db2.gz SYUWXTLGAQYEFE-UHFFFAOYSA-N 0 0 420.472 5.474 50 0 HKAARN CCC(=O)Nc1cccc(N=c2ssc3c2-c2ccc(C)cc2NC3(C)C)c1 ZINC000252675362 569319498 /nfs/dbraw/zinc/31/94/98/569319498.db2.gz TWQOYDVDHMTZPY-UHFFFAOYSA-N 0 0 409.580 6.027 50 0 HKAARN Cc1ccc(C)c(-c2csc(=Nc3ccc(F)cc3)n2Cc2ccc(Cl)cc2)c1 ZINC000252675609 569319644 /nfs/dbraw/zinc/31/96/44/569319644.db2.gz UMUFWGVGWBODEE-UHFFFAOYSA-N 0 0 422.956 6.907 50 0 HKAARN CCCOc1ccccc1N=c1ssc2c1-c1cc(OC)ccc1NC2(C)C ZINC000252675630 569319649 /nfs/dbraw/zinc/31/96/49/569319649.db2.gz UOETXTGDVNKCGH-UHFFFAOYSA-N 0 0 412.580 6.167 50 0 HKAARN O=C(NCc1ccccc1)c1cc2ccccc2oc1=Nc1ccc(Cl)cc1Cl ZINC000252675667 569319586 /nfs/dbraw/zinc/31/95/86/569319586.db2.gz UQKNXKFXSGPMLJ-UHFFFAOYSA-N 0 0 423.299 5.902 50 0 HKAARN Cc1ccc(-c2c(Br)sc(=Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000252675742 569319648 /nfs/dbraw/zinc/31/96/48/569319648.db2.gz UXDZCUQVXHLWLV-UHFFFAOYSA-N 0 0 421.363 6.509 50 0 HKAARN CC(=O)c1nn(-c2ccc(Br)cc2)c(=Nc2cccc3ccccc32)s1 ZINC000252675896 569319612 /nfs/dbraw/zinc/31/96/12/569319612.db2.gz VJNUYEKOGPVBTQ-UHFFFAOYSA-N 0 0 424.323 5.285 50 0 HKAARN COc1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1F ZINC000252675966 569319626 /nfs/dbraw/zinc/31/96/26/569319626.db2.gz VPDMLBDCTSVKDV-UHFFFAOYSA-N 0 0 404.510 5.839 50 0 HKAARN CC(C)Cc1ccc(-c2csc(=Nc3ccc(Cl)cc3)n2CCCO)cc1 ZINC000252675983 569319590 /nfs/dbraw/zinc/31/95/90/569319590.db2.gz VQMKOYAXXFXACA-UHFFFAOYSA-N 0 0 400.975 5.683 50 0 HKAARN CCOc1ccc(N=c2ssc3c2-c2cc(Cl)ccc2NC3(C)C)cc1 ZINC000252676133 569319596 /nfs/dbraw/zinc/31/95/96/569319596.db2.gz WBLNHWKRANMUFX-UHFFFAOYSA-N 0 0 402.972 6.422 50 0 HKAARN CC(C)Cn1c(-c2ccc(C3CCCCC3)cc2)csc1=Nc1ccc(F)cc1 ZINC000252676368 569319659 /nfs/dbraw/zinc/31/96/59/569319659.db2.gz WWNCUDZODGUDNU-UHFFFAOYSA-N 0 0 408.586 7.292 50 0 HKAARN O=C(Nc1ccccc1)c1cc2ccccc2oc1=Nc1ccc(Cl)cc1Cl ZINC000252676402 569319571 /nfs/dbraw/zinc/31/95/71/569319571.db2.gz WYZWKEMFLPGZIL-UHFFFAOYSA-N 0 0 409.272 6.224 50 0 HKAARN CCn1c(-c2cc(C)ccc2C)csc1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252676464 569319516 /nfs/dbraw/zinc/31/95/16/569319516.db2.gz XDVVSZOQXCBRCL-UHFFFAOYSA-N 0 0 400.547 6.878 50 0 HKAARN O=c1c(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2nc3ccccc3n12 ZINC000252676609 569319768 /nfs/dbraw/zinc/31/97/68/569319768.db2.gz XOPMNKPKFAWRLU-UHFFFAOYSA-N 0 0 413.285 5.024 50 0 HKAARN Cc1cc2c(cc1C)-c1c(ssc1=Nc1cccc3ccccc31)C(C)(C)N2 ZINC000252676628 569319747 /nfs/dbraw/zinc/31/97/47/569319747.db2.gz XQJLOKFNVPMRRU-UHFFFAOYSA-N 0 0 402.588 7.140 50 0 HKAARN CCOC(=O)c1ccc(N=c2ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 ZINC000252676899 569319676 /nfs/dbraw/zinc/31/96/76/569319676.db2.gz XUJXTWYFTAOYDR-UHFFFAOYSA-N 0 0 410.564 5.855 50 0 HKAARN Brc1ccc2oc(=Nc3ccccc3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000252676925 569319678 /nfs/dbraw/zinc/31/96/78/569319678.db2.gz XWIBFFHPMNKCQT-UHFFFAOYSA-N 0 0 416.278 5.971 50 0 HKAARN CCOc1cccc2cc(-c3nc4ccccc4[nH]3)c(=Nc3ccccc3Cl)oc21 ZINC000252677074 569319766 /nfs/dbraw/zinc/31/97/66/569319766.db2.gz YBCZUCYJZJKVHK-UHFFFAOYSA-N 0 0 415.880 6.261 50 0 HKAARN Cc1ccc2c(c1)-c1c(ssc1=Nc1cc(Cl)ccc1Cl)C(C)(C)N2 ZINC000252677609 569319663 /nfs/dbraw/zinc/31/96/63/569319663.db2.gz ZHBKTQZEGPKDIA-UHFFFAOYSA-N 0 0 407.391 6.985 50 0 HKAARN CCCn1c(-c2ccc3ccccc3c2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000252677725 569319685 /nfs/dbraw/zinc/31/96/85/569319685.db2.gz ZPWVZDIQKNEVGA-UHFFFAOYSA-N 0 0 412.480 7.031 50 0 HKAARN CCOc1ccc2c(c1)-c1c(ssc1=Nc1cccc(Cl)c1)C(C)(C)N2 ZINC000252677794 569319875 /nfs/dbraw/zinc/31/98/75/569319875.db2.gz ZVWBWJYSHDSIDF-UHFFFAOYSA-N 0 0 402.972 6.422 50 0 HKAARN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCC[C@H]1c1ccccc1Cl ZINC000252678629 569319813 /nfs/dbraw/zinc/31/98/13/569319813.db2.gz GOACAJGQFVZKIH-PWRODBHTSA-N 0 0 402.897 5.246 50 0 HKAARN CCS(=O)(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2ccc(C)cc2n1 ZINC000253392695 569365083 /nfs/dbraw/zinc/36/50/83/569365083.db2.gz UJEVFQZQQBENDH-UHFFFAOYSA-N 0 0 402.519 5.639 50 0 HKAARN O=C1C[C@@H](c2ccnc3ccccc32)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253396823 569365334 /nfs/dbraw/zinc/36/53/34/569365334.db2.gz BGXOXORVOUNYLV-FQEVSTJZSA-N 0 0 419.436 5.449 50 0 biogenic HKAARN O=C1C[C@H](c2ccnc3ccccc32)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253396829 569365286 /nfs/dbraw/zinc/36/52/86/569365286.db2.gz BGXOXORVOUNYLV-HXUWFJFHSA-N 0 0 419.436 5.449 50 0 biogenic HKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cccnc1Cl)CC(=O)O2 ZINC000253399001 569365561 /nfs/dbraw/zinc/36/55/61/569365561.db2.gz CNKBJGKDWMHRAD-KRWDZBQOSA-N 0 0 417.848 5.258 50 0 biogenic HKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cccnc1Cl)CC(=O)O2 ZINC000253399002 569365503 /nfs/dbraw/zinc/36/55/03/569365503.db2.gz CNKBJGKDWMHRAD-QGZVFWFLSA-N 0 0 417.848 5.258 50 0 biogenic HKAARN COc1ccc([C@@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1 ZINC000253400839 569251065 /nfs/dbraw/zinc/25/10/65/569251065.db2.gz FEGJTKQTSGGRSM-IBGZPJMESA-N 0 0 412.441 5.218 50 0 biogenic HKAARN COc1ccc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1 ZINC000253400843 569365621 /nfs/dbraw/zinc/36/56/21/569365621.db2.gz FEGJTKQTSGGRSM-LJQANCHMSA-N 0 0 412.441 5.218 50 0 biogenic HKAARN COc1ccc2[nH]cc(-c3csc(NC(=O)[C@@H](CC(C)C)n4cccc4)n3)c2c1 ZINC000253400946 569388919 /nfs/dbraw/zinc/38/89/19/569388919.db2.gz FGJLJGIKJSCCTJ-HXUWFJFHSA-N 0 0 408.527 5.327 50 0 HKAARN O=C1C[C@@H](c2ccc3ncccc3c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253403284 569365837 /nfs/dbraw/zinc/36/58/37/569365837.db2.gz HBDSSHGTOJGOII-FQEVSTJZSA-N 0 0 419.436 5.449 50 0 biogenic HKAARN O=C1C[C@H](c2ccc3ncccc3c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253403286 569365791 /nfs/dbraw/zinc/36/57/91/569365791.db2.gz HBDSSHGTOJGOII-HXUWFJFHSA-N 0 0 419.436 5.449 50 0 biogenic HKAARN O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253405232 569366016 /nfs/dbraw/zinc/36/60/16/569366016.db2.gz IEAFWWUJVDTCFV-FQEVSTJZSA-N 0 0 422.436 5.329 50 0 biogenic HKAARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253405235 569365953 /nfs/dbraw/zinc/36/59/53/569365953.db2.gz IEAFWWUJVDTCFV-HXUWFJFHSA-N 0 0 422.436 5.329 50 0 biogenic HKAARN Cn1cc(CCCC(=O)N[C@H](c2nc3ccccc3[nH]2)c2ccccc2)c2ccccc21 ZINC000253408065 569388900 /nfs/dbraw/zinc/38/89/00/569388900.db2.gz KJKWEOWOZXUUHD-SANMLTNESA-N 0 0 422.532 5.283 50 0 HKAARN O=C1CC(c2ccc(Cl)cc2Cl)CC(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000253408435 569388941 /nfs/dbraw/zinc/38/89/41/569388941.db2.gz XXUORQJQUZTBHM-UHFFFAOYSA-N 0 0 403.092 5.737 50 0 HKAARN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](C1CCCCC1)CC(=O)O2 ZINC000253411019 569366541 /nfs/dbraw/zinc/36/65/41/569366541.db2.gz OCAVICKDMVNGDY-INIZCTEOSA-N 0 0 424.880 5.792 50 0 biogenic HKAARN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](C1CCCCC1)CC(=O)O2 ZINC000253411024 569366650 /nfs/dbraw/zinc/36/66/50/569366650.db2.gz OCAVICKDMVNGDY-MRXNPFEDSA-N 0 0 424.880 5.792 50 0 biogenic HKAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](CC(C)C)n4cccc4)n3)c2c1 ZINC000253411079 569389034 /nfs/dbraw/zinc/38/90/34/569389034.db2.gz ODUPSTVOFILWKQ-HXUWFJFHSA-N 0 0 422.554 5.636 50 0 HKAARN CC(C)c1sc(Cl)nc1C(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253411724 569366620 /nfs/dbraw/zinc/36/66/20/569366620.db2.gz OZUUFTHFFHRQAJ-INIZCTEOSA-N 0 0 410.930 5.316 50 0 HKAARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413292 569366680 /nfs/dbraw/zinc/36/66/80/569366680.db2.gz UJPHUJRFILBBFP-INIZCTEOSA-N 0 0 418.832 5.260 50 0 biogenic HKAARN O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413293 569366696 /nfs/dbraw/zinc/36/66/96/569366696.db2.gz UJPHUJRFILBBFP-MRXNPFEDSA-N 0 0 418.832 5.260 50 0 biogenic HKAARN COc1ccc(-c2coc3ccc(OCc4ccc(C(=O)OC(C)C)o4)cc32)cc1 ZINC000253413661 569366840 /nfs/dbraw/zinc/36/68/40/569366840.db2.gz VJCNSPHEKFQCFH-UHFFFAOYSA-N 0 0 406.434 5.846 50 0 biogenic HKAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ccc(Oc2cnccn2)cc1 ZINC000253416013 569367176 /nfs/dbraw/zinc/36/71/76/569367176.db2.gz LGVCFJDOGRSWRS-IBGZPJMESA-N 0 0 416.525 5.204 50 0 HKAARN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1ccc(Oc2cnccn2)cc1 ZINC000253416014 569367183 /nfs/dbraw/zinc/36/71/83/569367183.db2.gz LGVCFJDOGRSWRS-LJQANCHMSA-N 0 0 416.525 5.204 50 0 HKAARN Cc1ccc(N2C(=O)CC[C@H](c3nc(-c4ccncc4)no3)[C@@H]2c2cccs2)cc1 ZINC000253418825 569367717 /nfs/dbraw/zinc/36/77/17/569367717.db2.gz AKYVQCMHSYKIDX-GHTZIAJQSA-N 0 0 416.506 5.153 50 0 HKAARN Cc1ccc(N2C(=O)CC[C@@H](c3nc(-c4ccncc4)no3)[C@H]2c2cccs2)cc1 ZINC000253418826 569367721 /nfs/dbraw/zinc/36/77/21/569367721.db2.gz AKYVQCMHSYKIDX-NQIIRXRSSA-N 0 0 416.506 5.153 50 0 HKAARN Cc1ccc(N2C(=O)CC[C@H](c3nc(-c4ccncc4)no3)[C@H]2c2cccs2)cc1 ZINC000253418827 569367702 /nfs/dbraw/zinc/36/77/02/569367702.db2.gz AKYVQCMHSYKIDX-RXVVDRJESA-N 0 0 416.506 5.153 50 0 HKAARN Cc1ccc(N2C(=O)CC[C@@H](c3nc(-c4ccncc4)no3)[C@@H]2c2cccs2)cc1 ZINC000253418828 569367711 /nfs/dbraw/zinc/36/77/11/569367711.db2.gz AKYVQCMHSYKIDX-WIYYLYMNSA-N 0 0 416.506 5.153 50 0 HKAARN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)cc2O1 ZINC000253419988 569367848 /nfs/dbraw/zinc/36/78/48/569367848.db2.gz SZSXJBWENPPTHP-NRFANRHFSA-N 0 0 418.515 5.269 50 0 HKAARN CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)cc2O1 ZINC000253419994 569367824 /nfs/dbraw/zinc/36/78/24/569367824.db2.gz SZSXJBWENPPTHP-OAQYLSRUSA-N 0 0 418.515 5.269 50 0 HKAARN CC(C)N(C)c1cccc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)c1 ZINC000253420270 569367837 /nfs/dbraw/zinc/36/78/37/569367837.db2.gz VNQKEDHIVIGMDX-UHFFFAOYSA-N 0 0 403.548 5.216 50 0 HKAARN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 ZINC000253421745 569372999 /nfs/dbraw/zinc/37/29/99/569372999.db2.gz NGUZHARZMZQGPU-AWEZNQCLSA-N 0 0 421.522 5.857 50 0 HKAARN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 ZINC000253421746 569373095 /nfs/dbraw/zinc/37/30/95/569373095.db2.gz NGUZHARZMZQGPU-CQSZACIVSA-N 0 0 421.522 5.857 50 0 HKAARN CC(C)(CO)[C@@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)c1cccs1 ZINC000253424457 569367999 /nfs/dbraw/zinc/36/79/99/569367999.db2.gz GKOMZELKDPVVLU-NRFANRHFSA-N 0 0 410.539 5.208 50 0 HKAARN CC(C)(CO)[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)c1cccs1 ZINC000253424459 569368052 /nfs/dbraw/zinc/36/80/52/569368052.db2.gz GKOMZELKDPVVLU-OAQYLSRUSA-N 0 0 410.539 5.208 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000253427827 569368463 /nfs/dbraw/zinc/36/84/63/569368463.db2.gz OCHACMWVMTZYGL-NRFANRHFSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000253427830 569368476 /nfs/dbraw/zinc/36/84/76/569368476.db2.gz OCHACMWVMTZYGL-OAQYLSRUSA-N 0 0 410.926 5.188 50 0 HKAARN COc1ccc(-c2nc3n(n2)[C@](C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1 ZINC000253430568 569368777 /nfs/dbraw/zinc/36/87/77/569368777.db2.gz FJQUYCAFXXQQMR-HSZRJFAPSA-N 0 0 402.885 5.421 50 0 HKAARN COc1ccc(-c2nc3n(n2)[C@@](C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1 ZINC000253430575 569368742 /nfs/dbraw/zinc/36/87/42/569368742.db2.gz FJQUYCAFXXQQMR-QHCPKHFHSA-N 0 0 402.885 5.421 50 0 HKAARN Cc1nc(C)c(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)o1 ZINC000253432784 569369960 /nfs/dbraw/zinc/36/99/60/569369960.db2.gz OAYRWDKUVQSJSD-UHFFFAOYSA-N 0 0 410.930 5.409 50 0 HKAARN O=C(NN=c1nc(-c2ccccc2)c2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1 ZINC000253433512 569121536 /nfs/dbraw/zinc/12/15/36/569121536.db2.gz XSKYFVLGPNVSBV-UHFFFAOYSA-N 0 0 409.276 5.361 50 0 HKAARN O=C(Nc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccco1 ZINC000253433590 569370613 /nfs/dbraw/zinc/37/06/13/569370613.db2.gz YYNNVPDPPUVBNL-UHFFFAOYSA-N 0 0 424.887 7.068 50 0 HKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc(COC(C)C)o1 ZINC000253471200 569381180 /nfs/dbraw/zinc/38/11/80/569381180.db2.gz BLWFDJAGXCCJPI-UHFFFAOYSA-N 0 0 404.919 5.220 50 0 HKAARN C[C@@H]1Oc2ccccc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N21 ZINC000253471337 569381138 /nfs/dbraw/zinc/38/11/38/569381138.db2.gz PUPUJSFSCFRYOR-CCLHPLFOSA-N 0 0 405.497 6.252 50 0 HKAARN C[C@@H]1Oc2ccccc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 ZINC000253471338 569381208 /nfs/dbraw/zinc/38/12/08/569381208.db2.gz PUPUJSFSCFRYOR-DCFHFQCYSA-N 0 0 405.497 6.252 50 0 HKAARN C[C@H]1Oc2ccccc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 ZINC000253471340 569381195 /nfs/dbraw/zinc/38/11/95/569381195.db2.gz PUPUJSFSCFRYOR-HRFSGMKKSA-N 0 0 405.497 6.252 50 0 HKAARN C[C@H]1Oc2ccccc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 ZINC000253471342 569381134 /nfs/dbraw/zinc/38/11/34/569381134.db2.gz PUPUJSFSCFRYOR-NFQMXDRXSA-N 0 0 405.497 6.252 50 0 HKAARN CN(C)c1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1 ZINC000253471672 569381149 /nfs/dbraw/zinc/38/11/49/569381149.db2.gz WZIWXEAADBMBLF-UHFFFAOYSA-N 0 0 403.529 5.726 50 0 HKAARN O=C(Nc1ccccc1-c1ccccc1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253471856 569381139 /nfs/dbraw/zinc/38/11/39/569381139.db2.gz GFVWKQPPRQQCQB-UHFFFAOYSA-N 0 0 408.885 5.212 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253477115 569373099 /nfs/dbraw/zinc/37/30/99/569373099.db2.gz DASOUCLGLBPXLC-RDJQTZJDSA-N 0 0 414.718 8.025 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253480016 569373093 /nfs/dbraw/zinc/37/30/93/569373093.db2.gz UKRMXWMCDFUMQY-VIKAEQBISA-N 0 0 412.702 8.233 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253480017 569373018 /nfs/dbraw/zinc/37/30/18/569373018.db2.gz UKRMXWMCDFUMQY-VRLGDCNCSA-N 0 0 412.702 8.233 50 0 HKAARN Nc1c2cc(-c3ccccc3Cl)oc2nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000253495429 569381914 /nfs/dbraw/zinc/38/19/14/569381914.db2.gz DHOOODNNCUYPSY-CYBMUJFWSA-N 0 0 423.299 6.297 50 0 HKAARN Nc1c2cc(-c3ccccc3Cl)oc2nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000253495430 569381894 /nfs/dbraw/zinc/38/18/94/569381894.db2.gz DHOOODNNCUYPSY-ZDUSSCGKSA-N 0 0 423.299 6.297 50 0 HKAARN Cc1ccccc1[C@H]1Cc2nc3oc(-c4ccccc4Cl)cc3c(N)c2C(=O)C1 ZINC000253495858 569381846 /nfs/dbraw/zinc/38/18/46/569381846.db2.gz TUSACLINLBNKCQ-AWEZNQCLSA-N 0 0 402.881 5.952 50 0 HKAARN Cc1ccccc1[C@@H]1Cc2nc3oc(-c4ccccc4Cl)cc3c(N)c2C(=O)C1 ZINC000253495859 569381784 /nfs/dbraw/zinc/38/17/84/569381784.db2.gz TUSACLINLBNKCQ-CQSZACIVSA-N 0 0 402.881 5.952 50 0 HKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497454 569373591 /nfs/dbraw/zinc/37/35/91/569373591.db2.gz LCINYWGSCGDGIS-SOXAPCBESA-N 0 0 400.603 6.066 50 0 HKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497455 569373562 /nfs/dbraw/zinc/37/35/62/569373562.db2.gz LCINYWGSCGDGIS-WTRZWPCZSA-N 0 0 400.603 6.066 50 0 HKAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CCCCO2 ZINC000253497479 569373576 /nfs/dbraw/zinc/37/35/76/569373576.db2.gz CPAQRVPTPVTARH-OZDYYIEBSA-N 0 0 400.603 5.468 50 0 HKAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CCCCO2 ZINC000253497480 569373559 /nfs/dbraw/zinc/37/35/59/569373559.db2.gz 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/nfs/dbraw/zinc/37/37/61/569373761.db2.gz HHENOUDBWKNPAB-BQFZYXLFSA-N 0 0 400.603 6.401 50 0 biogenic HKAARN CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499768 569373713 /nfs/dbraw/zinc/37/37/13/569373713.db2.gz HHENOUDBWKNPAB-PGFVUPFDSA-N 0 0 400.603 6.401 50 0 biogenic HKAARN CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499769 569373685 /nfs/dbraw/zinc/37/36/85/569373685.db2.gz HHENOUDBWKNPAB-RDXVJPLOSA-N 0 0 400.603 6.401 50 0 biogenic HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@@]21C ZINC000253499842 569382096 /nfs/dbraw/zinc/38/20/96/569382096.db2.gz PKKAVGRGAYJIIP-CKWQKACHSA-N 0 0 418.618 5.141 50 0 biogenic HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@@]21C ZINC000253499843 569382080 /nfs/dbraw/zinc/38/20/80/569382080.db2.gz PKKAVGRGAYJIIP-LXYPMMGHSA-N 0 0 418.618 5.141 50 0 biogenic HKAARN CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500127 569382140 /nfs/dbraw/zinc/38/21/40/569382140.db2.gz XFFDYWGJZFMHBB-HQFQMSLISA-N 0 0 400.603 6.112 50 0 biogenic HKAARN CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500128 569382210 /nfs/dbraw/zinc/38/22/10/569382210.db2.gz XFFDYWGJZFMHBB-NAVOUFSSSA-N 0 0 400.603 6.112 50 0 biogenic HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253500131 569382188 /nfs/dbraw/zinc/38/21/88/569382188.db2.gz XGZQDBRFMPJPBO-LUWBJXLVSA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253500132 569382261 /nfs/dbraw/zinc/38/22/61/569382261.db2.gz XGZQDBRFMPJPBO-XTZJLTRESA-N 0 0 410.598 6.032 50 0 biogenic HKAARN CCC(=O)O[C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500199 569382249 /nfs/dbraw/zinc/38/22/49/569382249.db2.gz ZDDFOEZPFDWEQS-DUBCTQPASA-N 0 0 402.575 5.593 50 0 biogenic HKAARN CCC(=O)O[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500200 569382199 /nfs/dbraw/zinc/38/21/99/569382199.db2.gz ZDDFOEZPFDWEQS-INUCVHHCSA-N 0 0 402.575 5.593 50 0 biogenic HKAARN CCC(=O)O[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253500201 521231564 /nfs/dbraw/zinc/23/15/64/521231564.db2.gz ZDDFOEZPFDWEQS-RPDDOQIOSA-N 0 0 402.575 5.593 50 0 biogenic HKAARN CCC(=O)O[C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253500202 569382192 /nfs/dbraw/zinc/38/21/92/569382192.db2.gz ZDDFOEZPFDWEQS-XOYJEQECSA-N 0 0 402.575 5.593 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000253500248 569373709 /nfs/dbraw/zinc/37/37/09/569373709.db2.gz HONOKMUVEQPOAM-MNTNTIDOSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000253500250 519757635 /nfs/dbraw/zinc/75/76/35/519757635.db2.gz HONOKMUVEQPOAM-OBSPVGEUSA-N 0 0 412.614 6.256 50 0 biogenic HKAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(Cl)cc1)[C@@H]2O ZINC000253500697 569382203 /nfs/dbraw/zinc/38/22/03/569382203.db2.gz FDGCFEWJEHAVJT-COLHWLQKSA-N 0 0 413.001 6.018 50 0 HKAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(Cl)cc1)[C@H]2O ZINC000253500698 569382204 /nfs/dbraw/zinc/38/22/04/569382204.db2.gz FDGCFEWJEHAVJT-XXRNYFGOSA-N 0 0 413.001 6.018 50 0 HKAARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000253500710 569373762 /nfs/dbraw/zinc/37/37/62/569373762.db2.gz MDGYGSZQYJUTBN-MYCUDWLVSA-N 0 0 408.582 5.373 50 0 HKAARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 ZINC000253500712 569373757 /nfs/dbraw/zinc/37/37/57/569373757.db2.gz MDGYGSZQYJUTBN-XYHGDYPMSA-N 0 0 408.582 5.373 50 0 HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@]4(C)CC[C@H]32)C1 ZINC000253500780 569373754 /nfs/dbraw/zinc/37/37/54/569373754.db2.gz ZSUHSKYVVTXINZ-NAVLHKCQSA-N 0 0 414.586 5.593 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@]5(C)CCC(=O)O5)[C@]4(C)CC[C@H]32)C1 ZINC000253500782 569373695 /nfs/dbraw/zinc/37/36/95/569373695.db2.gz ZSUHSKYVVTXINZ-RSLBGWIZSA-N 0 0 414.586 5.593 50 0 biogenic HKAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253500784 569382233 /nfs/dbraw/zinc/38/22/33/569382233.db2.gz JNLBJTOWMWKEJV-WFUXQISFSA-N 0 0 418.618 5.873 50 0 HKAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500786 569382257 /nfs/dbraw/zinc/38/22/57/569382257.db2.gz JNLBJTOWMWKEJV-ZDNVXUQGSA-N 0 0 418.618 5.873 50 0 HKAARN CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253524994 569374011 /nfs/dbraw/zinc/37/40/11/569374011.db2.gz RSIJHRRFYQHUQH-LNADVXPDSA-N 0 0 404.664 5.972 50 0 HKAARN CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253524996 569382432 /nfs/dbraw/zinc/38/24/32/569382432.db2.gz RSIJHRRFYQHUQH-NLPYHPQYSA-N 0 0 404.664 5.972 50 0 HKAARN CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253524998 520846971 /nfs/dbraw/zinc/84/69/71/520846971.db2.gz RSIJHRRFYQHUQH-PFZOMXFUSA-N 0 0 404.664 5.972 50 0 HKAARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000253528859 569382472 /nfs/dbraw/zinc/38/24/72/569382472.db2.gz SDDXAJAVPWQDGV-IWROCBFQSA-N 0 0 408.626 6.872 50 0 HKAARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 ZINC000253528860 569382632 /nfs/dbraw/zinc/38/26/32/569382632.db2.gz SDDXAJAVPWQDGV-LLSAEGISSA-N 0 0 408.626 6.872 50 0 HKAARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000253528861 520848260 /nfs/dbraw/zinc/84/82/60/520848260.db2.gz SDDXAJAVPWQDGV-QODZHVACSA-N 0 0 408.626 6.872 50 0 HKAARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000253528862 569382556 /nfs/dbraw/zinc/38/25/56/569382556.db2.gz SDDXAJAVPWQDGV-UIBSFBHYSA-N 0 0 408.626 6.872 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000253529462 569382572 /nfs/dbraw/zinc/38/25/72/569382572.db2.gz YVTJBQMCEPLZNF-GRKAGSLBSA-N 0 0 404.462 5.898 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000253529463 569382601 /nfs/dbraw/zinc/38/26/01/569382601.db2.gz YVTJBQMCEPLZNF-MXOFSTLHSA-N 0 0 404.462 5.898 50 0 HKAARN CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253529971 291275568 /nfs/dbraw/zinc/27/55/68/291275568.db2.gz KZJWDPNRJALLNS-CSXAPQLGSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253529972 291275574 /nfs/dbraw/zinc/27/55/74/291275574.db2.gz KZJWDPNRJALLNS-XAWXFDOFSA-N 0 0 414.718 8.025 50 0 biogenic HKAARN C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCC[C@H]1c1cccn1C ZINC000253531066 569382560 /nfs/dbraw/zinc/38/25/60/569382560.db2.gz YUQGDVFHHITOKI-BBRMVZONSA-N 0 0 410.568 5.362 50 0 HKAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCC[C@H]1c1cccn1C ZINC000253531067 569382603 /nfs/dbraw/zinc/38/26/03/569382603.db2.gz YUQGDVFHHITOKI-CJNGLKHVSA-N 0 0 410.568 5.362 50 0 HKAARN Cc1ccc2cc(C=NNc3nc4ccccc4c(-c4ccccc4)n3)c(=O)[nH]c2c1 ZINC000253531214 569211429 /nfs/dbraw/zinc/21/14/29/569211429.db2.gz ZMLUUDYAFHJGQF-UHFFFAOYSA-N 0 0 405.461 5.305 50 0 HKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC5(SCCS5)[C@]4(C)CC[C@H]32)C1 ZINC000253531521 569382667 /nfs/dbraw/zinc/38/26/67/569382667.db2.gz GSOXJOKVDUGXML-BGJURXJTSA-N 0 0 406.657 6.057 50 0 HKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC5(SCCS5)[C@]4(C)CC[C@H]32)C1 ZINC000253531522 569382733 /nfs/dbraw/zinc/38/27/33/569382733.db2.gz GSOXJOKVDUGXML-QANWUKQVSA-N 0 0 406.657 6.057 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531889 519645543 /nfs/dbraw/zinc/64/55/43/519645543.db2.gz AMNBDMZNFAQUHN-JPLWWBLASA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531890 569382679 /nfs/dbraw/zinc/38/26/79/569382679.db2.gz AMNBDMZNFAQUHN-SEQWKFOCSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531891 519645893 /nfs/dbraw/zinc/64/58/93/519645893.db2.gz AMNBDMZNFAQUHN-XMNHCXMWSA-N 0 0 402.707 7.715 50 0 HKAARN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@H]1CC[C@H](O)C(C)(C)[C@@H]1CC3 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ZINC000257373372 569379290 /nfs/dbraw/zinc/37/92/90/569379290.db2.gz LUCHFKBTWHPREI-KKLUKGEUSA-N 0 0 402.666 9.501 50 0 HKAARN CC(C)N(C(=S)Nc1c(F)cc(Br)cc1Br)C(C)C ZINC000258828073 569379389 /nfs/dbraw/zinc/37/93/89/569379389.db2.gz DZTKKEKJDCRIJZ-UHFFFAOYSA-N 0 0 412.166 5.166 50 0 HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2CC[C@@H]2C[C@@H](OC(C)=O)CC[C@H]21 ZINC000261490479 569380516 /nfs/dbraw/zinc/38/05/16/569380516.db2.gz GOBRRXZUCIHPLG-BYGPNJFUSA-N 0 0 404.591 5.386 50 0 HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C[C@@H](OC(C)=O)CC[C@@H]12 ZINC000261490480 569380668 /nfs/dbraw/zinc/38/06/68/569380668.db2.gz GOBRRXZUCIHPLG-HCGVMTDGSA-N 0 0 404.591 5.386 50 0 HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)C[C@H]3CC[C@H]21 ZINC000261490481 569380706 /nfs/dbraw/zinc/38/07/06/569380706.db2.gz GOBRRXZUCIHPLG-SNLDIWJBSA-N 0 0 404.591 5.386 50 0 HKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)C[C@@H]3CC[C@H]21 ZINC000261490482 569380654 /nfs/dbraw/zinc/38/06/54/569380654.db2.gz GOBRRXZUCIHPLG-XDQZEUTQSA-N 0 0 404.591 5.386 50 0 HKAARN CC(C)(C)OC(=O)n1c(Br)cc2ccc(OCc3ccccc3)cc21 ZINC000261494119 568535248 /nfs/dbraw/zinc/53/52/48/568535248.db2.gz QHFGTMAPMPYELH-UHFFFAOYSA-N 0 0 402.288 5.766 50 0 HKAARN O=C(c1cnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)Sc1ccccc1 ZINC000261494795 569380666 /nfs/dbraw/zinc/38/06/66/569380666.db2.gz HHOCRUXURBNENS-UHFFFAOYSA-N 0 0 406.763 5.574 50 0 HKAARN FC(F)(F)c1cnc(-c2cnn3c2nc(Cl)cc3C(F)(F)F)c(Cl)c1 ZINC000261494973 569380656 /nfs/dbraw/zinc/38/06/56/569380656.db2.gz YXKNILWDUAQRBF-UHFFFAOYSA-N 0 0 401.097 5.136 50 0 HKAARN CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 ZINC000261507739 569380758 /nfs/dbraw/zinc/38/07/58/569380758.db2.gz LQRASBADJFXRBP-IFSQOONMSA-N 0 0 414.555 8.651 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c(OC)c1 ZINC000263584824 568877949 /nfs/dbraw/zinc/87/79/49/568877949.db2.gz BHPWJIOKKPKURF-FQEVSTJZSA-N 0 0 412.489 5.181 50 0 biogenic HKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c(OC)c1 ZINC000263584825 568877685 /nfs/dbraw/zinc/87/76/85/568877685.db2.gz BHPWJIOKKPKURF-HXUWFJFHSA-N 0 0 412.489 5.181 50 0 biogenic HKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1OC ZINC000263585455 568878469 /nfs/dbraw/zinc/87/84/69/568878469.db2.gz IWMSOECNUBPYAP-IBGZPJMESA-N 0 0 412.489 5.181 50 0 biogenic HKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1OC ZINC000263585456 525403397 /nfs/dbraw/zinc/40/33/97/525403397.db2.gz IWMSOECNUBPYAP-LJQANCHMSA-N 0 0 412.489 5.181 50 0 biogenic HKAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586018 519782015 /nfs/dbraw/zinc/78/20/15/519782015.db2.gz OYSCRYQGODPKLD-JOCHJYFZSA-N 0 0 410.517 5.951 50 0 biogenic HKAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263586019 568878877 /nfs/dbraw/zinc/87/88/77/568878877.db2.gz OYSCRYQGODPKLD-QFIPXVFZSA-N 0 0 410.517 5.951 50 0 biogenic HKAARN O=C1C[C@@H](C2=Cc3ccccc3OC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586030 568878892 /nfs/dbraw/zinc/87/88/92/568878892.db2.gz PCHGZMUNUILARD-NRFANRHFSA-N 0 0 406.485 5.591 50 0 biogenic HKAARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586031 527026967 /nfs/dbraw/zinc/02/69/67/527026967.db2.gz PCHGZMUNUILARD-OAQYLSRUSA-N 0 0 406.485 5.591 50 0 biogenic HKAARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586303 568879184 /nfs/dbraw/zinc/87/91/84/568879184.db2.gz SLCBLFQFHFPYCG-KRWDZBQOSA-N 0 0 402.881 5.523 50 0 biogenic HKAARN O=C1C[C@H](c2ccc(O)c(Cl)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586304 568879142 /nfs/dbraw/zinc/87/91/42/568879142.db2.gz SLCBLFQFHFPYCG-QGZVFWFLSA-N 0 0 402.881 5.523 50 0 biogenic HKAARN O=C1C[C@@H](c2ccc3ncccc3c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586420 568879209 /nfs/dbraw/zinc/87/92/09/568879209.db2.gz UGLXDGARSKFWAM-NRFANRHFSA-N 0 0 403.485 5.712 50 0 biogenic HKAARN O=C1C[C@H](c2ccc3ncccc3c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586421 527031838 /nfs/dbraw/zinc/03/18/38/527031838.db2.gz UGLXDGARSKFWAM-OAQYLSRUSA-N 0 0 403.485 5.712 50 0 biogenic HKAARN O=C1C[C@@H](c2ccc3nccnc3c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586548 568878773 /nfs/dbraw/zinc/87/87/73/568878773.db2.gz VPLPCQPFKRNDNY-IBGZPJMESA-N 0 0 404.473 5.107 50 0 biogenic HKAARN O=C1C[C@H](c2ccc3nccnc3c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586549 568878784 /nfs/dbraw/zinc/87/87/84/568878784.db2.gz VPLPCQPFKRNDNY-LJQANCHMSA-N 0 0 404.473 5.107 50 0 biogenic HKAARN O=c1c2ccccc2occ1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263586552 527469109 /nfs/dbraw/zinc/46/91/09/527469109.db2.gz VQBWWBBLSYQFFX-IBGZPJMESA-N 0 0 420.468 5.270 50 0 biogenic HKAARN O=c1c2ccccc2occ1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263586553 568878834 /nfs/dbraw/zinc/87/88/34/568878834.db2.gz VQBWWBBLSYQFFX-LJQANCHMSA-N 0 0 420.468 5.270 50 0 biogenic HKAARN O=C1C[C@@H](c2ccnc3ccccc32)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586863 568880031 /nfs/dbraw/zinc/88/00/31/568880031.db2.gz YZQNVUIBJBOGBH-NRFANRHFSA-N 0 0 403.485 5.712 50 0 biogenic HKAARN O=C1C[C@H](c2ccnc3ccccc32)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586864 568880038 /nfs/dbraw/zinc/88/00/38/568880038.db2.gz YZQNVUIBJBOGBH-OAQYLSRUSA-N 0 0 403.485 5.712 50 0 biogenic HKAARN COc1ccccc1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1cccc(F)c1 ZINC000263587133 568882243 /nfs/dbraw/zinc/88/22/43/568882243.db2.gz CPNZUNOIPLHFMY-IBGZPJMESA-N 0 0 400.453 5.311 50 0 HKAARN COc1ccccc1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1cccc(F)c1 ZINC000263587134 568882258 /nfs/dbraw/zinc/88/22/58/568882258.db2.gz CPNZUNOIPLHFMY-LJQANCHMSA-N 0 0 400.453 5.311 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000263587141 568882186 /nfs/dbraw/zinc/88/21/86/568882186.db2.gz CRSVRYMCDTYVLT-FQEVSTJZSA-N 0 0 400.453 5.311 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1 ZINC000263587142 568882188 /nfs/dbraw/zinc/88/21/88/568882188.db2.gz CRSVRYMCDTYVLT-HXUWFJFHSA-N 0 0 400.453 5.311 50 0 HKAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1nnc(C2CCC2)s1 ZINC000263587220 568882589 /nfs/dbraw/zinc/88/25/89/568882589.db2.gz DPEYLCFPTOQGBI-FQEVSTJZSA-N 0 0 402.523 5.379 50 0 HKAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1nnc(C2CCC2)s1 ZINC000263587221 568882529 /nfs/dbraw/zinc/88/25/29/568882529.db2.gz DPEYLCFPTOQGBI-HXUWFJFHSA-N 0 0 402.523 5.379 50 0 HKAARN COc1ccc([C@H](NC(=O)C[C@H](c2ccsc2)n2cccc2)C(C)C)cc1OC ZINC000263587298 568882696 /nfs/dbraw/zinc/88/26/96/568882696.db2.gz FHUMTYGAEUOQKU-AUSIDOKSSA-N 0 0 412.555 5.060 50 0 HKAARN COc1ccc([C@@H](NC(=O)C[C@@H](c2ccsc2)n2cccc2)C(C)C)cc1OC ZINC000263587299 568882891 /nfs/dbraw/zinc/88/28/91/568882891.db2.gz FHUMTYGAEUOQKU-CVDCTZTESA-N 0 0 412.555 5.060 50 0 HKAARN COc1ccc([C@H](NC(=O)C[C@@H](c2ccsc2)n2cccc2)C(C)C)cc1OC ZINC000263587300 568882776 /nfs/dbraw/zinc/88/27/76/568882776.db2.gz FHUMTYGAEUOQKU-WMZHIEFXSA-N 0 0 412.555 5.060 50 0 HKAARN COc1ccc([C@@H](NC(=O)C[C@H](c2ccsc2)n2cccc2)C(C)C)cc1OC ZINC000263587301 568882822 /nfs/dbraw/zinc/88/28/22/568882822.db2.gz FHUMTYGAEUOQKU-XXBNENTESA-N 0 0 412.555 5.060 50 0 HKAARN CC(C)C[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 ZINC000263587393 568883045 /nfs/dbraw/zinc/88/30/45/568883045.db2.gz GJLLYKUCXPQLIK-XZOQPEGZSA-N 0 0 406.574 5.445 50 0 HKAARN O=C1C[C@@H](c2cccc(Cl)c2F)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587522 568883193 /nfs/dbraw/zinc/88/31/93/568883193.db2.gz HRTFWXUMSZMEBS-KRWDZBQOSA-N 0 0 404.872 5.956 50 0 HKAARN O=C1C[C@H](c2cccc(Cl)c2F)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587523 568883195 /nfs/dbraw/zinc/88/31/95/568883195.db2.gz HRTFWXUMSZMEBS-QGZVFWFLSA-N 0 0 404.872 5.956 50 0 HKAARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587662 568883402 /nfs/dbraw/zinc/88/34/02/568883402.db2.gz JRXBJLBOTFHFGM-INIZCTEOSA-N 0 0 406.407 5.581 50 0 HKAARN O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587663 568883381 /nfs/dbraw/zinc/88/33/81/568883381.db2.gz JRXBJLBOTFHFGM-MRXNPFEDSA-N 0 0 406.407 5.581 50 0 HKAARN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587782 568883378 /nfs/dbraw/zinc/88/33/78/568883378.db2.gz LDVXZOMDEILGIY-IBGZPJMESA-N 0 0 418.443 5.765 50 0 HKAARN O=C1C[C@H](c2cccc(OC(F)F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587783 568883263 /nfs/dbraw/zinc/88/32/63/568883263.db2.gz LDVXZOMDEILGIY-LJQANCHMSA-N 0 0 418.443 5.765 50 0 HKAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000263588083 568883539 /nfs/dbraw/zinc/88/35/39/568883539.db2.gz OXJVBTVQAXVVKB-LEWJYISDSA-N 0 0 404.539 5.159 50 0 HKAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000263588084 568883564 /nfs/dbraw/zinc/88/35/64/568883564.db2.gz OXJVBTVQAXVVKB-NHCUHLMSSA-N 0 0 404.539 5.159 50 0 HKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000263588085 568883547 /nfs/dbraw/zinc/88/35/47/568883547.db2.gz OXJVBTVQAXVVKB-RTWAWAEBSA-N 0 0 404.539 5.159 50 0 HKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000263588086 568883468 /nfs/dbraw/zinc/88/34/68/568883468.db2.gz OXJVBTVQAXVVKB-SFTDATJTSA-N 0 0 404.539 5.159 50 0 HKAARN CSCC[C@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263588307 568883666 /nfs/dbraw/zinc/88/36/66/568883666.db2.gz RQIZBUKDSBDOPS-PMACEKPBSA-N 0 0 424.595 5.016 50 0 HKAARN CSCC[C@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263588308 568883674 /nfs/dbraw/zinc/88/36/74/568883674.db2.gz RQIZBUKDSBDOPS-VQTJNVASSA-N 0 0 424.595 5.016 50 0 HKAARN CC(C)C[C@H](C(=O)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1)n1cccc1 ZINC000263588569 568884351 /nfs/dbraw/zinc/88/43/51/568884351.db2.gz VUQXVPRUBAMODX-HXUWFJFHSA-N 0 0 419.447 5.040 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588740 568884377 /nfs/dbraw/zinc/88/43/77/568884377.db2.gz XWRQUSZHVMDIKX-FCHUYYIVSA-N 0 0 419.550 5.213 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588741 568884374 /nfs/dbraw/zinc/88/43/74/568884374.db2.gz XWRQUSZHVMDIKX-FGZHOGPDSA-N 0 0 419.550 5.213 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588742 568884369 /nfs/dbraw/zinc/88/43/69/568884369.db2.gz XWRQUSZHVMDIKX-VXKWHMMOSA-N 0 0 419.550 5.213 50 0 HKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588743 568884378 /nfs/dbraw/zinc/88/43/78/568884378.db2.gz XWRQUSZHVMDIKX-YADHBBJMSA-N 0 0 419.550 5.213 50 0 HKAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)NCCc1c[nH]c2ccccc12 ZINC000263588808 568884376 /nfs/dbraw/zinc/88/43/76/568884376.db2.gz YPRMVUWTIBIHBH-AREMUKBSSA-N 0 0 407.517 5.461 50 0 HKAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)NCCc1c[nH]c2ccccc12 ZINC000263588809 568884390 /nfs/dbraw/zinc/88/43/90/568884390.db2.gz YPRMVUWTIBIHBH-SANMLTNESA-N 0 0 407.517 5.461 50 0 HKAARN Clc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263615033 568909773 /nfs/dbraw/zinc/90/97/73/568909773.db2.gz AFNGCXBITJZALH-GOSISDBHSA-N 0 0 413.264 5.178 50 0 HKAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263615034 568909781 /nfs/dbraw/zinc/90/97/81/568909781.db2.gz AFNGCXBITJZALH-SFHVURJKSA-N 0 0 413.264 5.178 50 0 HKAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615406 568910137 /nfs/dbraw/zinc/91/01/37/568910137.db2.gz CFSAMVDOQDADIV-IBGZPJMESA-N 0 0 424.913 5.247 50 0 HKAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615407 568910201 /nfs/dbraw/zinc/91/02/01/568910201.db2.gz CFSAMVDOQDADIV-LJQANCHMSA-N 0 0 424.913 5.247 50 0 HKAARN CCCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccccc1 ZINC000263615443 568910241 /nfs/dbraw/zinc/91/02/41/568910241.db2.gz CKNSANVWGOTBOB-UHFFFAOYSA-N 0 0 424.545 5.194 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000263616703 568911076 /nfs/dbraw/zinc/91/10/76/568911076.db2.gz KCUOKEVSVRWGAV-IBGZPJMESA-N 0 0 409.917 5.665 50 0 HKAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000263616704 568911038 /nfs/dbraw/zinc/91/10/38/568911038.db2.gz KCUOKEVSVRWGAV-LJQANCHMSA-N 0 0 409.917 5.665 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263616755 568911118 /nfs/dbraw/zinc/91/11/18/568911118.db2.gz KJWVAIJHNTZSHD-NRFANRHFSA-N 0 0 400.482 5.169 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 ZINC000263616756 568911021 /nfs/dbraw/zinc/91/10/21/568911021.db2.gz KJWVAIJHNTZSHD-OAQYLSRUSA-N 0 0 400.482 5.169 50 0 HKAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C(C)(C)C)cc5)no4)cc3CO2)cc1 ZINC000263616876 568911214 /nfs/dbraw/zinc/91/12/14/568911214.db2.gz KZULMBDVXZFNSB-JOCHJYFZSA-N 0 0 414.509 5.478 50 0 HKAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C(C)(C)C)cc5)no4)cc3CO2)cc1 ZINC000263616877 568911161 /nfs/dbraw/zinc/91/11/61/568911161.db2.gz KZULMBDVXZFNSB-QFIPXVFZSA-N 0 0 414.509 5.478 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263617064 568911221 /nfs/dbraw/zinc/91/12/21/568911221.db2.gz LXDDNNSQZMVPPJ-NRFANRHFSA-N 0 0 418.472 5.308 50 0 HKAARN CC(C)(C)c1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263617065 568911247 /nfs/dbraw/zinc/91/12/47/568911247.db2.gz LXDDNNSQZMVPPJ-OAQYLSRUSA-N 0 0 418.472 5.308 50 0 HKAARN Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1C ZINC000263617330 568911336 /nfs/dbraw/zinc/91/13/36/568911336.db2.gz NFMRUJJWIBRTTQ-FQEVSTJZSA-N 0 0 406.873 5.142 50 0 HKAARN Cc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1C ZINC000263617331 568911318 /nfs/dbraw/zinc/91/13/18/568911318.db2.gz NFMRUJJWIBRTTQ-HXUWFJFHSA-N 0 0 406.873 5.142 50 0 HKAARN Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1 ZINC000263617709 568911526 /nfs/dbraw/zinc/91/15/26/568911526.db2.gz PGIGQFHBEHJSQN-UHFFFAOYSA-N 0 0 419.915 7.193 50 0 HKAARN Clc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263619250 568912239 /nfs/dbraw/zinc/91/22/39/568912239.db2.gz XRZMIEDZNCCLTE-GOSISDBHSA-N 0 0 413.264 5.178 50 0 HKAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263619251 568912214 /nfs/dbraw/zinc/91/22/14/568912214.db2.gz XRZMIEDZNCCLTE-SFHVURJKSA-N 0 0 413.264 5.178 50 0 HKAARN Oc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)s3)cc2)cc1 ZINC000263620197 569380909 /nfs/dbraw/zinc/38/09/09/569380909.db2.gz VZLBRNASPRXZAW-UHFFFAOYSA-N 0 0 405.522 7.517 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 ZINC000263621415 559166408 /nfs/dbraw/zinc/16/64/08/559166408.db2.gz IZYNVHGCIOCYJS-COYUXWILSA-N 0 0 419.933 6.426 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 ZINC000263621416 559166401 /nfs/dbraw/zinc/16/64/01/559166401.db2.gz IZYNVHGCIOCYJS-VUZJQGPZSA-N 0 0 419.933 6.426 50 0 HKAARN O=[P@](Cc1ccccc1)(c1ccccc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000263621523 559166377 /nfs/dbraw/zinc/16/63/77/559166377.db2.gz NMXUPUYCUFRXLZ-JIPXPUAJSA-N 0 0 411.507 5.533 50 0 HKAARN O=[P@@](Cc1ccccc1)(c1ccccc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000263621524 559166511 /nfs/dbraw/zinc/16/65/11/559166511.db2.gz NMXUPUYCUFRXLZ-ZBLYBZFDSA-N 0 0 411.507 5.533 50 0 HKAARN CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2)cc1 ZINC000263621540 559166501 /nfs/dbraw/zinc/16/65/01/559166501.db2.gz IRXPWPJDQDPAQU-SYPINDRRSA-N 0 0 415.514 6.493 50 0 HKAARN CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccccc2)cc1 ZINC000263621541 559166496 /nfs/dbraw/zinc/16/64/96/559166496.db2.gz IRXPWPJDQDPAQU-XWKOWCJTSA-N 0 0 415.514 6.493 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000263621550 559166513 /nfs/dbraw/zinc/16/65/13/559166513.db2.gz MTFNCAWTWQWUQM-AWWAEGHMSA-N 0 0 414.530 6.161 50 0 HKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000263621551 559166530 /nfs/dbraw/zinc/16/65/30/559166530.db2.gz MTFNCAWTWQWUQM-GRXXMPIVSA-N 0 0 414.530 6.161 50 0 HKAARN CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=O)N2CCCC2)C(C)(C)[C@@H]2C=CC=C[C@H]21 ZINC000263621572 568912791 /nfs/dbraw/zinc/91/27/91/568912791.db2.gz OTTJHEFSKAJRIQ-BBQZXUPQSA-N 0 0 408.486 5.075 50 0 HKAARN CN1/C(=C2/C=NN(c3ccccc3)[P@]2(=O)N2CCCC2)C(C)(C)[C@@H]2C=CC=C[C@@H]21 ZINC000263621573 568912805 /nfs/dbraw/zinc/91/28/05/568912805.db2.gz OTTJHEFSKAJRIQ-LEORQQJPSA-N 0 0 408.486 5.075 50 0 HKAARN CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=O)N2CCCC2)C(C)(C)[C@@H]2C=CC=C[C@@H]21 ZINC000263621574 568912807 /nfs/dbraw/zinc/91/28/07/568912807.db2.gz OTTJHEFSKAJRIQ-MOOIFYSZSA-N 0 0 408.486 5.075 50 0 HKAARN CN1/C(=C2/C=NN(c3ccccc3)[P@]2(=O)N2CCCC2)C(C)(C)[C@@H]2C=CC=C[C@H]21 ZINC000263621575 568912871 /nfs/dbraw/zinc/91/28/71/568912871.db2.gz OTTJHEFSKAJRIQ-NMECZBDSSA-N 0 0 408.486 5.075 50 0 HKAARN FC(F)Oc1cc(Br)cc(Br)c1SC(F)(F)F ZINC000263622853 571043588 /nfs/dbraw/zinc/04/35/88/571043588.db2.gz BKUBGMDUXZDRGQ-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1c(Br)cc(SC(F)(F)F)cc1Br ZINC000263622872 569380945 /nfs/dbraw/zinc/38/09/45/569380945.db2.gz BOTDDTGIKMEKOR-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(SC(F)(F)F)cc(Br)c1Br ZINC000263622897 569380940 /nfs/dbraw/zinc/38/09/40/569380940.db2.gz BTZWKILYEOSAIK-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(SC(F)(F)F)c(Br)cc1Br ZINC000263623017 569380865 /nfs/dbraw/zinc/38/08/65/569380865.db2.gz CVWXDUFANJMDTI-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(Br)cc(SC(F)(F)F)c1Br ZINC000263623319 569380877 /nfs/dbraw/zinc/38/08/77/569380877.db2.gz GMZSNDJEBBNJIC-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(Br)c(Br)c(SC(F)(F)F)c1 ZINC000263623456 569380857 /nfs/dbraw/zinc/38/08/57/569380857.db2.gz HQSISCXPYPNAIW-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN CC(C)c1ccc(NC(=S)Nc2cccc(OC(F)F)c2)c(Br)c1 ZINC000263623849 568868244 /nfs/dbraw/zinc/86/82/44/568868244.db2.gz LFHSKMXXMDACPH-UHFFFAOYSA-N 0 0 415.303 5.983 50 0 HKAARN FC(F)Oc1cc(Br)c(SC(F)(F)F)cc1Br ZINC000263624045 569380934 /nfs/dbraw/zinc/38/09/34/569380934.db2.gz MYDKPARYZYJKDL-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1c(Br)cc(Br)cc1SC(F)(F)F ZINC000263624516 569380902 /nfs/dbraw/zinc/38/09/02/569380902.db2.gz RFXDMBFNEAHTOS-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(Br)c(SC(F)(F)F)c(Br)c1 ZINC000263624552 569380891 /nfs/dbraw/zinc/38/08/91/569380891.db2.gz RMQQIPIRSWKOHM-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN FC(F)Oc1cc(Br)c(Br)cc1SC(F)(F)F ZINC000263625249 568868233 /nfs/dbraw/zinc/86/82/33/568868233.db2.gz YAXOPZCCXRXOLG-UHFFFAOYSA-N 0 0 401.976 5.425 50 0 HKAARN O=C(Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1)c1cccnc1Cl ZINC000263639606 559167744 /nfs/dbraw/zinc/16/77/44/559167744.db2.gz ABLRJVWXAHWSJL-UHFFFAOYSA-N 0 0 419.215 5.178 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)O[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000263639622 569380942 /nfs/dbraw/zinc/38/09/42/569380942.db2.gz ARFKZGZLRDTFEP-ZDUSSCGKSA-N 0 0 420.218 5.235 50 0 HKAARN CCCCCC(=O)Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1 ZINC000263639667 569380880 /nfs/dbraw/zinc/38/08/80/569380880.db2.gz CQZMAIHVTYLGBY-UHFFFAOYSA-N 0 0 409.839 6.192 50 0 HKAARN FC(F)(F)c1cccc(N2CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000263639686 569380882 /nfs/dbraw/zinc/38/08/82/569380882.db2.gz DLWJXGZFUIBSOJ-UHFFFAOYSA-N 0 0 423.788 5.095 50 0 HKAARN O=C(Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)C1CCCCC1 ZINC000263639705 569380894 /nfs/dbraw/zinc/38/08/94/569380894.db2.gz FERHHYXFQBEZNB-UHFFFAOYSA-N 0 0 421.850 6.192 50 0 HKAARN O=C(Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1)c1ccccc1Cl ZINC000263639718 559167722 /nfs/dbraw/zinc/16/77/22/559167722.db2.gz GBELPRWNAPYPBA-UHFFFAOYSA-N 0 0 418.227 5.783 50 0 HKAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1cnc(N2CCC(C(F)(F)F)CC2)s1 ZINC000263639722 559167747 /nfs/dbraw/zinc/16/77/47/559167747.db2.gz GGCMFGWMWZQALR-ZSOIEALJSA-N 0 0 413.852 5.068 50 0 HKAARN O=C(Nc1ccc(Cl)cc1)c1ccnc(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000263639739 569380898 /nfs/dbraw/zinc/38/08/98/569380898.db2.gz GUKQPXAXKVNPBP-UHFFFAOYSA-N 0 0 413.186 5.117 50 0 HKAARN FC(F)(F)c1cnc(NCCOc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000263639759 569380964 /nfs/dbraw/zinc/38/09/64/569380964.db2.gz HWRSYYGSNUQYCN-UHFFFAOYSA-N 0 0 420.140 5.312 50 0 HKAARN O=C(Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)c1ccccc1 ZINC000263639791 569380958 /nfs/dbraw/zinc/38/09/58/569380958.db2.gz IYDQEFVEINUCLW-UHFFFAOYSA-N 0 0 415.802 5.926 50 0 HKAARN FC(F)(F)c1cnc(Oc2ccc(C(=S)N3CCCCC3)cc2)c(Cl)c1 ZINC000263639802 569380937 /nfs/dbraw/zinc/38/09/37/569380937.db2.gz JGRMCKHJFLOLGX-UHFFFAOYSA-N 0 0 400.853 5.708 50 0 HKAARN O=C(Nc1ccccc1Cl)c1ccc(N2CCC(C(F)(F)F)CC2)cc1Cl ZINC000263639823 559167749 /nfs/dbraw/zinc/16/77/49/559167749.db2.gz KNRBIAJBADNAGE-UHFFFAOYSA-N 0 0 417.258 6.024 50 0 HKAARN O=C(Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1)c1ccc(Cl)cc1 ZINC000263639824 559167742 /nfs/dbraw/zinc/16/77/42/559167742.db2.gz KNVQNHCHRSZLBQ-UHFFFAOYSA-N 0 0 418.227 5.783 50 0 HKAARN Cn1cccc1C(=O)Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1 ZINC000263639826 569380900 /nfs/dbraw/zinc/38/09/00/569380900.db2.gz KQUGGIQTLZBABB-UHFFFAOYSA-N 0 0 418.806 5.264 50 0 HKAARN FC(F)(F)c1cnc(CN2CCN(c3cccc4ccccc43)CC2)c(Cl)c1 ZINC000263639880 569380970 /nfs/dbraw/zinc/38/09/70/569380970.db2.gz MXFNCJVYNGAPJD-UHFFFAOYSA-N 0 0 405.851 5.229 50 0 HKAARN O=C(Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1)c1cccs1 ZINC000263639959 569380922 /nfs/dbraw/zinc/38/09/22/569380922.db2.gz PVBCSPFNBFXIID-UHFFFAOYSA-N 0 0 421.831 5.987 50 0 HKAARN Cn1ncc(-c2ncc(C(F)(F)F)cc2Cl)c1NC(=O)c1ccccc1Cl ZINC000263639980 559167909 /nfs/dbraw/zinc/16/79/09/559167909.db2.gz QYGUBQMNDYPRQQ-UHFFFAOYSA-N 0 0 415.202 5.060 50 0 HKAARN CCCCCC(=O)Nc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000263640032 569380954 /nfs/dbraw/zinc/38/09/54/569380954.db2.gz UIROGGVDLFYHED-UHFFFAOYSA-N 0 0 409.839 6.192 50 0 HKAARN FC(F)(F)c1cnc(SCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000263640034 559167880 /nfs/dbraw/zinc/16/78/80/559167880.db2.gz UJISBHZOCZQQCK-UHFFFAOYSA-N 0 0 406.216 5.750 50 0 HKAARN O=C(c1c(Cl)cccc1Cl)N1N=NN[C@@H]1c1ncc(C(F)(F)F)cc1Cl ZINC000263640038 569380950 /nfs/dbraw/zinc/38/09/50/569380950.db2.gz UOZYDBCDNVEVMH-LBPRGKRZSA-N 0 0 424.597 5.087 50 0 HKAARN FC(F)(F)c1cnc(-c2noc(CSc3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000263640061 569380921 /nfs/dbraw/zinc/38/09/21/569380921.db2.gz VKUYHWILHPDUPJ-UHFFFAOYSA-N 0 0 406.216 5.750 50 0 HKAARN O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000263640105 569380887 /nfs/dbraw/zinc/38/08/87/569380887.db2.gz XVMPSEHTJSVTEH-UHFFFAOYSA-N 0 0 420.818 5.263 50 0 HKAARN FC(F)(F)c1cccc(Nc2nc(-c3ncc(C(F)(F)F)cc3Cl)cs2)c1 ZINC000263640125 569380968 /nfs/dbraw/zinc/38/09/68/569380968.db2.gz YKPPDMSNFQPHAX-UHFFFAOYSA-N 0 0 423.769 6.640 50 0 HKAARN CN(C(=O)C(C)(C)Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000263640129 559167858 /nfs/dbraw/zinc/16/78/58/559167858.db2.gz YQCXNMUCGWYRJS-UHFFFAOYSA-N 0 0 406.235 5.261 50 0 HKAARN Fc1cccc([C@H]2CCN(Cc3cccn3-c3ncccn3)c3ccccc3S2)c1 ZINC000299759421 569382375 /nfs/dbraw/zinc/38/23/75/569382375.db2.gz RSIBCSJBWQJUGT-JOCHJYFZSA-N 0 0 416.525 5.650 50 0 HKAARN Fc1cccc([C@@H]2CCN(Cc3cccn3-c3ncccn3)c3ccccc3S2)c1 ZINC000299759424 569382336 /nfs/dbraw/zinc/38/23/36/569382336.db2.gz RSIBCSJBWQJUGT-QFIPXVFZSA-N 0 0 416.525 5.650 50 0 HKAARN Cc1nc(NC/C(Cl)=C/c2ccccc2)sc1-c1ccn(Cc2ccncc2)n1 ZINC000299763349 569382340 /nfs/dbraw/zinc/38/23/40/569382340.db2.gz ZJVIDXCWFHGUGJ-UYRXBGFRSA-N 0 0 421.957 5.450 50 0 HKAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(OC)c(OC(C)C)c2)C2CCCC2)cc1 ZINC000299777763 569382342 /nfs/dbraw/zinc/38/23/42/569382342.db2.gz NRFMWNVXVJTUCO-FOWTUZBSSA-N 0 0 423.553 5.476 50 0 HKAARN OCCOc1ccc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)cc1 ZINC000299781753 569382358 /nfs/dbraw/zinc/38/23/58/569382358.db2.gz VUUDHUVMEGRGNR-HSZRJFAPSA-N 0 0 409.526 5.441 50 0 HKAARN OCCOc1ccc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)cc1 ZINC000299781773 569382384 /nfs/dbraw/zinc/38/23/84/569382384.db2.gz VUUDHUVMEGRGNR-QHCPKHFHSA-N 0 0 409.526 5.441 50 0 HKAARN Cc1nc(C(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccs2)C2CC2)cs1 ZINC000299783311 569382383 /nfs/dbraw/zinc/38/23/83/569382383.db2.gz YYIMIACSKHZSFK-UHFFFAOYSA-N 0 0 419.575 5.841 50 0 HKAARN O=c1c(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)coc2ccccc21 ZINC000299791913 569382356 /nfs/dbraw/zinc/38/23/56/569382356.db2.gz DLUVWLNBQHDDNG-HSZRJFAPSA-N 0 0 417.505 6.176 50 0 HKAARN O=c1c(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)coc2ccccc21 ZINC000299791930 569382319 /nfs/dbraw/zinc/38/23/19/569382319.db2.gz DLUVWLNBQHDDNG-QHCPKHFHSA-N 0 0 417.505 6.176 50 0 HKAARN COc1cc([C@H]2CCN(Cc3ccccn3)c3ccccc3S2)cc(OC)c1OC ZINC000299796796 569382282 /nfs/dbraw/zinc/38/22/82/569382282.db2.gz OKNQGYKVRRZDJJ-JOCHJYFZSA-N 0 0 422.550 5.351 50 0 HKAARN COc1cc([C@@H]2CCN(Cc3ccccn3)c3ccccc3S2)cc(OC)c1OC ZINC000299796805 569382373 /nfs/dbraw/zinc/38/23/73/569382373.db2.gz OKNQGYKVRRZDJJ-QFIPXVFZSA-N 0 0 422.550 5.351 50 0 HKAARN CCn1cc(CN2CC[C@H](c3ccc(OC)c(C)c3)Sc3ccccc32)c(C)n1 ZINC000299797208 569382382 /nfs/dbraw/zinc/38/23/82/569382382.db2.gz PUOHAUNLARHESA-HSZRJFAPSA-N 0 0 407.583 5.772 50 0 HKAARN CCn1cc(CN2CC[C@@H](c3ccc(OC)c(C)c3)Sc3ccccc32)c(C)n1 ZINC000299797219 569382309 /nfs/dbraw/zinc/38/23/09/569382309.db2.gz PUOHAUNLARHESA-QHCPKHFHSA-N 0 0 407.583 5.772 50 0 HKAARN Cc1nn(C)cc1CN1CC[C@@H](c2cccc(C(F)(F)F)c2)Sc2ccccc21 ZINC000299797370 569382283 /nfs/dbraw/zinc/38/22/83/569382283.db2.gz NNQGCEGTDJNBNB-FQEVSTJZSA-N 0 0 417.500 5.991 50 0 HKAARN Cc1nn(C)cc1CN1CC[C@H](c2cccc(C(F)(F)F)c2)Sc2ccccc21 ZINC000299797377 569382322 /nfs/dbraw/zinc/38/23/22/569382322.db2.gz NNQGCEGTDJNBNB-HXUWFJFHSA-N 0 0 417.500 5.991 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3CC(C)C)cc1 ZINC000299804161 569382416 /nfs/dbraw/zinc/38/24/16/569382416.db2.gz DPQNYLRPTCKLNF-CTNGQTDRSA-N 0 0 415.331 5.373 50 0 HKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3CC(C)C)cc1 ZINC000299804162 569382424 /nfs/dbraw/zinc/38/24/24/569382424.db2.gz DPQNYLRPTCKLNF-TZIWHRDSSA-N 0 0 415.331 5.373 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000299804165 569382411 /nfs/dbraw/zinc/38/24/11/569382411.db2.gz FFSWSTBLXLUVLD-RDPSFJRHSA-N 0 0 418.880 5.619 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000299804166 569382474 /nfs/dbraw/zinc/38/24/74/569382474.db2.gz FFSWSTBLXLUVLD-YKSBVNFPSA-N 0 0 418.880 5.619 50 0 HKAARN COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](OC(=O)c3ccccc3)CC[C@@]21C ZINC000299804194 569382408 /nfs/dbraw/zinc/38/24/08/569382408.db2.gz HSLOORALMSUDQM-HCLGADKRSA-N 0 0 404.550 6.167 50 0 HKAARN COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@H]2C[C@H](OC(=O)c3ccccc3)CC[C@]12C ZINC000299804195 569382481 /nfs/dbraw/zinc/38/24/81/569382481.db2.gz HSLOORALMSUDQM-MMIXZVLBSA-N 0 0 404.550 6.167 50 0 HKAARN O=C1CCC[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000299804263 569382426 /nfs/dbraw/zinc/38/24/26/569382426.db2.gz MBVKWPUOZZTHOY-BEFAXECRSA-N 0 0 417.328 5.376 50 0 HKAARN O=C1CCC[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000299804264 569382458 /nfs/dbraw/zinc/38/24/58/569382458.db2.gz MBVKWPUOZZTHOY-KXBFYZLASA-N 0 0 417.328 5.376 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299804326 569382488 /nfs/dbraw/zinc/38/24/88/569382488.db2.gz TYTUMJNHSUQBGY-JLXJOCOBSA-N 0 0 418.706 6.687 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299804327 569382482 /nfs/dbraw/zinc/38/24/82/569382482.db2.gz TYTUMJNHSUQBGY-OHWYLNRKSA-N 0 0 418.706 6.687 50 0 HKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000299804328 569382512 /nfs/dbraw/zinc/38/25/12/569382512.db2.gz TYTUMJNHSUQBGY-QIYOHIKSSA-N 0 0 418.706 6.687 50 0 HKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000299804329 569382513 /nfs/dbraw/zinc/38/25/13/569382513.db2.gz TYTUMJNHSUQBGY-ZAIYCPSLSA-N 0 0 418.706 6.687 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)s1 ZINC000299804348 569382414 /nfs/dbraw/zinc/38/24/14/569382414.db2.gz WRVBAXVZLFZOIM-OXQOHEQNSA-N 0 0 417.372 5.961 50 0 HKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)s1 ZINC000299804370 569382430 /nfs/dbraw/zinc/38/24/30/569382430.db2.gz XXIHMWSBGAYHQL-UZLBHIALSA-N 0 0 411.324 5.753 50 0 HKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccco2)cc1 ZINC000299804377 569382516 /nfs/dbraw/zinc/38/25/16/569382516.db2.gz YTEKZJJYRASVKR-NQIIRXRSSA-N 0 0 409.283 5.593 50 0 HKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccco2)cc1 ZINC000299804378 569382435 /nfs/dbraw/zinc/38/24/35/569382435.db2.gz YTEKZJJYRASVKR-RXVVDRJESA-N 0 0 409.283 5.593 50 0 HKAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NNc3ccc(F)cc3)cc12 ZINC000301240183 560716609 /nfs/dbraw/zinc/71/66/09/560716609.db2.gz MFXCDALDAKINGH-UHFFFAOYSA-N 0 0 414.893 5.004 50 0 HKAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000328579032 569384256 /nfs/dbraw/zinc/38/42/56/569384256.db2.gz JREIGSSANHDXDR-UHFFFAOYSA-N 0 0 402.675 5.618 50 0 HKAARN COC(=O)c1sc(-c2ccc(Oc3ccc(Br)cc3)cc2)cc1N ZINC000328579049 569384277 /nfs/dbraw/zinc/38/42/77/569384277.db2.gz LJDRRZGXLFRION-UHFFFAOYSA-N 0 0 404.285 5.339 50 0 HKAARN NC(=O)[C@@H](N[C@@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590728 569415080 /nfs/dbraw/zinc/41/50/80/569415080.db2.gz GYAKHRPKVIDTFE-CVEARBPZSA-N 0 0 424.136 5.065 50 0 HKAARN NC(=O)[C@@H](N[C@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590729 569415052 /nfs/dbraw/zinc/41/50/52/569415052.db2.gz GYAKHRPKVIDTFE-HOTGVXAUSA-N 0 0 424.136 5.065 50 0 HKAARN NC(=O)[C@H](N[C@@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590730 569415008 /nfs/dbraw/zinc/41/50/08/569415008.db2.gz GYAKHRPKVIDTFE-HZPDHXFCSA-N 0 0 424.136 5.065 50 0 HKAARN NC(=O)[C@H](N[C@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590731 569414974 /nfs/dbraw/zinc/41/49/74/569414974.db2.gz GYAKHRPKVIDTFE-JKSUJKDBSA-N 0 0 424.136 5.065 50 0 HKAARN C[C@H](C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000328591381 569415035 /nfs/dbraw/zinc/41/50/35/569415035.db2.gz WEQPLAWQAYAECV-KRWDZBQOSA-N 0 0 407.901 5.115 50 0 HKAARN C[C@@H](C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000328591382 569414981 /nfs/dbraw/zinc/41/49/81/569414981.db2.gz WEQPLAWQAYAECV-QGZVFWFLSA-N 0 0 407.901 5.115 50 0 HKAARN COc1ccc(NC(=O)[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000328592430 569415356 /nfs/dbraw/zinc/41/53/56/569415356.db2.gz GVZXNDFTTFKIPR-DEOSSOPVSA-N 0 0 417.505 5.034 50 0 HKAARN COc1ccc(NC(=O)[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000328592431 569415354 /nfs/dbraw/zinc/41/53/54/569415354.db2.gz GVZXNDFTTFKIPR-XMMPIXPASA-N 0 0 417.505 5.034 50 0 HKAARN NC(=O)CSc1nnc(SC(Cc2ccccc2)Cc2ccccc2)s1 ZINC000328593135 569415528 /nfs/dbraw/zinc/41/55/28/569415528.db2.gz GDTJNPDBTDIOPV-UHFFFAOYSA-N 0 0 401.582 5.112 50 0 HKAARN Cc1nc2cc(C(=O)N(C)[C@@H](C)c3c(F)cccc3F)ccc2n1-c1ccccc1 ZINC000328593213 569415505 /nfs/dbraw/zinc/41/55/05/569415505.db2.gz IHSYCFHQIBOUHL-HNNXBMFYSA-N 0 0 405.448 5.445 50 0 HKAARN Cc1nc2cc(C(=O)N(C)[C@H](C)c3c(F)cccc3F)ccc2n1-c1ccccc1 ZINC000328593214 569415557 /nfs/dbraw/zinc/41/55/57/569415557.db2.gz IHSYCFHQIBOUHL-OAHLLOKOSA-N 0 0 405.448 5.445 50 0 HKAARN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(Br)c2cccnc12 ZINC000328593453 569415575 /nfs/dbraw/zinc/41/55/75/569415575.db2.gz VCPVNTILNYNUQP-UHFFFAOYSA-N 0 0 407.315 5.019 50 0 HKAARN Cc1cc(=O)c(-c2noc(-c3ccc(CSc4ccccc4)cc3)n2)c2n1CCC2 ZINC000328595158 569415839 /nfs/dbraw/zinc/41/58/39/569415839.db2.gz MHGSRXZIKKIAEW-UHFFFAOYSA-N 0 0 415.518 5.112 50 0 HKAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccccc2Br)c1 ZINC000328596849 559171565 /nfs/dbraw/zinc/17/15/65/559171565.db2.gz AVJQDWVLZVUDEN-IBGZPJMESA-N 0 0 409.283 5.342 50 0 HKAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccccc2Br)c1 ZINC000328596850 569416243 /nfs/dbraw/zinc/41/62/43/569416243.db2.gz AVJQDWVLZVUDEN-LJQANCHMSA-N 0 0 409.283 5.342 50 0 HKAARN Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccccc2Br)cc1 ZINC000328597270 569416206 /nfs/dbraw/zinc/41/62/06/569416206.db2.gz GLDOZFYEGASEGE-IBGZPJMESA-N 0 0 409.283 5.342 50 0 HKAARN Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccccc2Br)cc1 ZINC000328597271 569416273 /nfs/dbraw/zinc/41/62/73/569416273.db2.gz GLDOZFYEGASEGE-LJQANCHMSA-N 0 0 409.283 5.342 50 0 HKAARN O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N(CCC(F)(F)F)C1CCC1 ZINC000328597442 569416259 /nfs/dbraw/zinc/41/62/59/569416259.db2.gz HGNQUXDGWNUJHS-UHFFFAOYSA-N 0 0 405.247 5.936 50 0 HKAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000328597646 569416271 /nfs/dbraw/zinc/41/62/71/569416271.db2.gz IKAPYQPTOQZQQI-JOCHJYFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000328597647 569416291 /nfs/dbraw/zinc/41/62/91/569416291.db2.gz IKAPYQPTOQZQQI-QFIPXVFZSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000328598742 569416269 /nfs/dbraw/zinc/41/62/69/569416269.db2.gz OHILAHWYVCOWBJ-NRFANRHFSA-N 0 0 410.926 5.188 50 0 HKAARN Cc1ccccc1S(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000328598743 569416279 /nfs/dbraw/zinc/41/62/79/569416279.db2.gz OHILAHWYVCOWBJ-OAQYLSRUSA-N 0 0 410.926 5.188 50 0 HKAARN COc1cccc2cc([C@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000328599215 569416209 /nfs/dbraw/zinc/41/62/09/569416209.db2.gz QQXVPKYXOXXJTA-GOSISDBHSA-N 0 0 414.292 5.248 50 0 HKAARN COc1cccc2cc([C@@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000328599218 569416239 /nfs/dbraw/zinc/41/62/39/569416239.db2.gz QQXVPKYXOXXJTA-SFHVURJKSA-N 0 0 414.292 5.248 50 0 HKAARN Cc1ccc2[nH]c(=O)c(NS(=O)(=O)c3ccccc3C)c(-c3ccccc3)c2c1 ZINC000328599628 569416333 /nfs/dbraw/zinc/41/63/33/569416333.db2.gz SPOFISBOTBBGCH-UHFFFAOYSA-N 0 0 404.491 5.025 50 0 HKAARN O=C(c1cccc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Br ZINC000328599967 569416312 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/nfs/dbraw/zinc/49/06/02/568490602.db2.gz NVTOPBCTABMNAH-MRXNPFEDSA-N 0 0 417.499 5.037 50 0 HKAARN COc1ccc(Br)c(C(=O)N[C@@H](c2ccsc2)c2cccs2)c1 ZINC000390826986 571258041 /nfs/dbraw/zinc/25/80/41/571258041.db2.gz RSZVOCJXKYCXHZ-INIZCTEOSA-N 0 0 408.342 5.100 50 0 HKAARN COc1ccc(Br)c(C(=O)N[C@H](c2ccsc2)c2cccs2)c1 ZINC000390826987 571258062 /nfs/dbraw/zinc/25/80/62/571258062.db2.gz RSZVOCJXKYCXHZ-MRXNPFEDSA-N 0 0 408.342 5.100 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 ZINC000390829193 571258087 /nfs/dbraw/zinc/25/80/87/571258087.db2.gz WZTOFTOHLSTGTE-UHFFFAOYSA-N 0 0 424.576 5.402 50 0 HKAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C1c2ccccc2Oc2ccccc21 ZINC000390829868 571258038 /nfs/dbraw/zinc/25/80/38/571258038.db2.gz HEDIDADTHLVSIU-GOSISDBHSA-N 0 0 417.486 5.096 50 0 HKAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C1c2ccccc2Oc2ccccc21 ZINC000390829869 571258029 /nfs/dbraw/zinc/25/80/29/571258029.db2.gz HEDIDADTHLVSIU-SFHVURJKSA-N 0 0 417.486 5.096 50 0 HKAARN CCn1c(=O)c2sccc2nc1S[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000408516127 558464281 /nfs/dbraw/zinc/46/42/81/558464281.db2.gz REZSMAGRMIGHEZ-KRWDZBQOSA-N 0 0 420.987 5.391 50 0 HKAARN CCn1c(=O)c2sccc2nc1S[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000408516128 558464120 /nfs/dbraw/zinc/46/41/20/558464120.db2.gz REZSMAGRMIGHEZ-QGZVFWFLSA-N 0 0 420.987 5.391 50 0 HKAARN CCc1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)onc1C(F)(F)F ZINC000408517020 559212969 /nfs/dbraw/zinc/21/29/69/559212969.db2.gz QHIUXBZGCBUJEI-UHFFFAOYSA-N 0 0 423.005 5.517 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3C)C[C@H]2c2ccccc2C)cc1 ZINC000408525558 558464500 /nfs/dbraw/zinc/46/45/00/558464500.db2.gz AUGKWKCHABCRMX-DEOSSOPVSA-N 0 0 404.535 5.152 50 0 HKAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3C)C[C@@H]2c2ccccc2C)cc1 ZINC000408525559 558464495 /nfs/dbraw/zinc/46/44/95/558464495.db2.gz AUGKWKCHABCRMX-XMMPIXPASA-N 0 0 404.535 5.152 50 0 HKAARN Cc1ccccc1S(=O)(=O)Nc1c(=O)[nH]c2cc(Cl)ccc2c1-c1ccccc1 ZINC000408525566 558464465 /nfs/dbraw/zinc/46/44/65/558464465.db2.gz BSMUFUMYMUDNLK-UHFFFAOYSA-N 0 0 424.909 5.370 50 0 HKAARN COc1cccc(OC)c1[C@@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 ZINC000408525571 558464501 /nfs/dbraw/zinc/46/45/01/558464501.db2.gz CLAHUDLUEJGZGW-FQEVSTJZSA-N 0 0 417.534 5.252 50 0 HKAARN COc1cccc(OC)c1[C@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 ZINC000408525572 558464418 /nfs/dbraw/zinc/46/44/18/558464418.db2.gz CLAHUDLUEJGZGW-HXUWFJFHSA-N 0 0 417.534 5.252 50 0 HKAARN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409268027 560571436 /nfs/dbraw/zinc/57/14/36/560571436.db2.gz YUZMHYHPEBAWQZ-UHFFFAOYSA-N 0 0 420.509 5.032 50 0 HKAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409413802 559075566 /nfs/dbraw/zinc/07/55/66/559075566.db2.gz JFAZRGBABGYESZ-JOCHJYFZSA-N 0 0 415.493 5.081 50 0 HKAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409413806 560723227 /nfs/dbraw/zinc/72/32/27/560723227.db2.gz JFAZRGBABGYESZ-QFIPXVFZSA-N 0 0 415.493 5.081 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413868 560723258 /nfs/dbraw/zinc/72/32/58/560723258.db2.gz LMQGOVRWYHWYLB-NRFANRHFSA-N 0 0 421.447 5.350 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413869 559250902 /nfs/dbraw/zinc/25/09/02/559250902.db2.gz LMQGOVRWYHWYLB-OAQYLSRUSA-N 0 0 421.447 5.350 50 0 HKAARN COc1ccccc1[C@@H]1c2cn(C(C)C)c3cccc(c23)NC2=C1C(=O)N(C(C)=O)C2 ZINC000409414154 559075569 /nfs/dbraw/zinc/07/55/69/559075569.db2.gz PLFLSIQXPJVJTC-JOCHJYFZSA-N 0 0 415.493 5.081 50 0 HKAARN COc1ccccc1[C@H]1c2cn(C(C)C)c3cccc(c23)NC2=C1C(=O)N(C(C)=O)C2 ZINC000409414156 560723327 /nfs/dbraw/zinc/72/33/27/560723327.db2.gz PLFLSIQXPJVJTC-QFIPXVFZSA-N 0 0 415.493 5.081 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415408 559075670 /nfs/dbraw/zinc/07/56/70/559075670.db2.gz GMKHOEXQTDVSCC-JOCHJYFZSA-N 0 0 419.550 5.599 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccs1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415409 560723620 /nfs/dbraw/zinc/72/36/20/560723620.db2.gz GMKHOEXQTDVSCC-QFIPXVFZSA-N 0 0 419.550 5.599 50 0 HKAARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415421 559075673 /nfs/dbraw/zinc/07/56/73/559075673.db2.gz HFSYAQQVJMDWLI-KRWDZBQOSA-N 0 0 420.871 5.662 50 0 HKAARN O=C1C[C@H](c2ccc(O)c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415422 559075715 /nfs/dbraw/zinc/07/57/15/559075715.db2.gz HFSYAQQVJMDWLI-QGZVFWFLSA-N 0 0 420.871 5.662 50 0 HKAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)ccc1O ZINC000409415441 559075662 /nfs/dbraw/zinc/07/56/62/559075662.db2.gz ILKCYARFARKMRV-GOSISDBHSA-N 0 0 416.452 5.017 50 0 HKAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)ccc1O ZINC000409415442 559075730 /nfs/dbraw/zinc/07/57/30/559075730.db2.gz ILKCYARFARKMRV-SFHVURJKSA-N 0 0 416.452 5.017 50 0 HKAARN O=C1C[C@@H](c2ccc3ncccc3c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415497 559075951 /nfs/dbraw/zinc/07/59/51/559075951.db2.gz LXKNWTLTHFVBHB-NRFANRHFSA-N 0 0 421.475 5.851 50 0 HKAARN O=C1C[C@H](c2ccc3ncccc3c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415498 559075903 /nfs/dbraw/zinc/07/59/03/559075903.db2.gz LXKNWTLTHFVBHB-OAQYLSRUSA-N 0 0 421.475 5.851 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccccc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415527 559075944 /nfs/dbraw/zinc/07/59/44/559075944.db2.gz NUEZGTLWAVZDOE-HSZRJFAPSA-N 0 0 413.521 5.537 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415528 560723603 /nfs/dbraw/zinc/72/36/03/560723603.db2.gz NUEZGTLWAVZDOE-QHCPKHFHSA-N 0 0 413.521 5.537 50 0 HKAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415553 559075893 /nfs/dbraw/zinc/07/58/93/559075893.db2.gz PBDWPNDOTLMPDL-GOSISDBHSA-N 0 0 414.436 5.032 50 0 HKAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415554 559075933 /nfs/dbraw/zinc/07/59/33/559075933.db2.gz PBDWPNDOTLMPDL-SFHVURJKSA-N 0 0 414.436 5.032 50 0 HKAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1O ZINC000409415591 559075935 /nfs/dbraw/zinc/07/59/35/559075935.db2.gz RAZNMKBLCJECDF-GOSISDBHSA-N 0 0 416.452 5.017 50 0 HKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1O ZINC000409415592 560723568 /nfs/dbraw/zinc/72/35/68/560723568.db2.gz RAZNMKBLCJECDF-SFHVURJKSA-N 0 0 416.452 5.017 50 0 HKAARN O=C1C[C@H](c2ccccc2Cl)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415598 559075931 /nfs/dbraw/zinc/07/59/31/559075931.db2.gz RLIIMBCPXXFZIS-GOSISDBHSA-N 0 0 404.872 5.956 50 0 HKAARN O=C1C[C@@H](c2ccccc2Cl)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415599 560723570 /nfs/dbraw/zinc/72/35/70/560723570.db2.gz RLIIMBCPXXFZIS-SFHVURJKSA-N 0 0 404.872 5.956 50 0 HKAARN O=C1C[C@@H](c2ccc(F)c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415600 560723563 /nfs/dbraw/zinc/72/35/63/560723563.db2.gz RMQPAJNIZZUOGG-KRWDZBQOSA-N 0 0 422.862 6.095 50 0 HKAARN O=C1C[C@H](c2ccc(F)c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415601 559075958 /nfs/dbraw/zinc/07/59/58/559075958.db2.gz RMQPAJNIZZUOGG-QGZVFWFLSA-N 0 0 422.862 6.095 50 0 HKAARN CC(C)n1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cn1 ZINC000409415612 559075940 /nfs/dbraw/zinc/07/59/40/559075940.db2.gz SUJQIETYAYXMMH-IBGZPJMESA-N 0 0 402.473 5.080 50 0 HKAARN CC(C)n1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cn1 ZINC000409415613 559075927 /nfs/dbraw/zinc/07/59/27/559075927.db2.gz SUJQIETYAYXMMH-LJQANCHMSA-N 0 0 402.473 5.080 50 0 HKAARN O=C1C[C@@H](c2cccc3cccnc32)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415646 559075922 /nfs/dbraw/zinc/07/59/22/559075922.db2.gz VKIAMRBOIODRGO-NRFANRHFSA-N 0 0 421.475 5.851 50 0 HKAARN O=C1C[C@H](c2cccc3cccnc32)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415647 560723605 /nfs/dbraw/zinc/72/36/05/560723605.db2.gz VKIAMRBOIODRGO-OAQYLSRUSA-N 0 0 421.475 5.851 50 0 HKAARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415685 559075899 /nfs/dbraw/zinc/07/58/99/559075899.db2.gz XKRRRAJQXDSQMK-INIZCTEOSA-N 0 0 424.397 5.720 50 0 HKAARN O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415686 559075911 /nfs/dbraw/zinc/07/59/11/559075911.db2.gz XKRRRAJQXDSQMK-MRXNPFEDSA-N 0 0 424.397 5.720 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccsc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415688 560723601 /nfs/dbraw/zinc/72/36/01/560723601.db2.gz XZKCCPNJNBEUMS-NRFANRHFSA-N 0 0 419.550 5.599 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccsc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000409415689 559075929 /nfs/dbraw/zinc/07/59/29/559075929.db2.gz XZKCCPNJNBEUMS-OAQYLSRUSA-N 0 0 419.550 5.599 50 0 HKAARN COc1cc2ccccc2c2c1CC1=C(CC=C1)Cc1c(OC)cc3ccccc3c1-2 ZINC000409420705 568544138 /nfs/dbraw/zinc/54/41/38/568544138.db2.gz SMTHIIHZMQAIDX-UHFFFAOYSA-N 0 0 404.509 7.032 50 0 HKAARN CCc1ncc2c(n1)CN(C(=O)c1cc(-c3ccc(Cl)cc3)nc3ccccc31)C2 ZINC000426360042 559271990 /nfs/dbraw/zinc/27/19/90/559271990.db2.gz PGALBMYRQNUXRP-UHFFFAOYSA-N 0 0 414.896 5.064 50 0 HKAARN CC(C)(C)OC(=O)n1ccc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC000498045266 569259626 /nfs/dbraw/zinc/25/96/26/569259626.db2.gz GEDICEDPTYQVCV-UHFFFAOYSA-N 0 0 400.519 5.539 50 0 HKAARN O=C1[C@@H](C[C@@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 ZINC000504651078 569281634 /nfs/dbraw/zinc/28/16/34/569281634.db2.gz SRXHLHLYMDYESA-JHFSOIRNSA-N 0 0 400.559 5.059 50 0 biogenic HKAARN Cc1c(Br)cc2cnn(COCC[Si](C)(C)C)c2c1Br ZINC000514250948 557611424 /nfs/dbraw/zinc/61/14/24/557611424.db2.gz XUGKFCOKYIOFNE-UHFFFAOYSA-N 0 0 420.221 5.182 50 0 HKAARN CC[C@H]1CC[C@H](C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 ZINC000514260521 569305020 /nfs/dbraw/zinc/30/50/20/569305020.db2.gz ZLIZIVXWHBEWMW-RTWGARKQSA-N 0 0 400.528 8.261 50 0 HKAARN Oc1cc2c(cc1-c1c3cc4c(cc3oc1-c1cc3ccccc3o1)OCO4)OCO2 ZINC000524729303 559178206 /nfs/dbraw/zinc/17/82/06/559178206.db2.gz NHJYHEPPENQBKH-UHFFFAOYSA-N 0 0 414.369 5.676 50 0 biogenic HKAARN CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731709 559178628 /nfs/dbraw/zinc/17/86/28/559178628.db2.gz IELVRHXIUQAUKH-JOCHJYFZSA-N 0 0 405.542 5.030 50 0 biogenic HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731710 559178646 /nfs/dbraw/zinc/17/86/46/559178646.db2.gz IELVRHXIUQAUKH-QFIPXVFZSA-N 0 0 405.542 5.030 50 0 biogenic HKAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)CC3 ZINC000524731977 559178681 /nfs/dbraw/zinc/17/86/81/559178681.db2.gz RLFRUABSDJBVHT-UHFFFAOYSA-N 0 0 413.477 5.559 50 0 biogenic HKAARN CSCC[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000524733353 559178867 /nfs/dbraw/zinc/17/88/67/559178867.db2.gz KGFABASTKFCYMK-INIZCTEOSA-N 0 0 424.448 5.077 50 0 HKAARN C[C@H](C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000524733478 559178987 /nfs/dbraw/zinc/17/89/87/559178987.db2.gz MUHMOWOVWOIGPR-GERBCZOESA-N 0 0 414.549 5.377 50 0 HKAARN C[C@H](C(=O)N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000524733480 559178984 /nfs/dbraw/zinc/17/89/84/559178984.db2.gz MUHMOWOVWOIGPR-REIDKSKDSA-N 0 0 414.549 5.377 50 0 HKAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000524733571 559178972 /nfs/dbraw/zinc/17/89/72/559178972.db2.gz WCYKLTIXDQVNKJ-FCHUYYIVSA-N 0 0 418.928 5.361 50 0 HKAARN O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000524733574 559178942 /nfs/dbraw/zinc/17/89/42/559178942.db2.gz WCYKLTIXDQVNKJ-VXKWHMMOSA-N 0 0 418.928 5.361 50 0 HKAARN Cc1cc(=O)[nH]c2cc(NC(=O)C[C@@H](c3ccc(Cl)cc3)n3cccc3)ccc12 ZINC000524734122 559178721 /nfs/dbraw/zinc/17/87/21/559178721.db2.gz ZDIDNPZKSVDHDE-NRFANRHFSA-N 0 0 405.885 5.322 50 0 HKAARN Cc1cc(=O)[nH]c2cc(NC(=O)C[C@H](c3ccc(Cl)cc3)n3cccc3)ccc12 ZINC000524734123 559178782 /nfs/dbraw/zinc/17/87/82/559178782.db2.gz ZDIDNPZKSVDHDE-OAQYLSRUSA-N 0 0 405.885 5.322 50 0 HKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000524734323 559178863 /nfs/dbraw/zinc/17/88/63/559178863.db2.gz SUNUHQFYHRDBKA-UHFFFAOYSA-N 0 0 412.493 5.767 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C ZINC000524734751 559178901 /nfs/dbraw/zinc/17/89/01/559178901.db2.gz JZLCIEOXJDJGBL-DOTOQJQBSA-N 0 0 405.516 5.065 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C ZINC000524734752 559178885 /nfs/dbraw/zinc/17/88/85/559178885.db2.gz JZLCIEOXJDJGBL-NVXWUHKLSA-N 0 0 405.516 5.065 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C ZINC000524734753 559178920 /nfs/dbraw/zinc/17/89/20/559178920.db2.gz JZLCIEOXJDJGBL-RDJZCZTQSA-N 0 0 405.516 5.065 50 0 HKAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C ZINC000524734754 559178917 /nfs/dbraw/zinc/17/89/17/559178917.db2.gz JZLCIEOXJDJGBL-WBVHZDCISA-N 0 0 405.516 5.065 50 0 HKAARN CSCC[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000524734816 559178926 /nfs/dbraw/zinc/17/89/26/559178926.db2.gz 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S=C(Nc1ccc(Cl)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442975 569277981 /nfs/dbraw/zinc/27/79/81/569277981.db2.gz MPGWFAJDBWHDSU-UHFFFAOYSA-N 0 0 419.941 6.269 50 0 HKAARN COc1ccc2[nH]cc(-c3csc(NC(=O)[C@H](CC(C)C)n4cccc4)n3)c2c1 ZINC000575443034 569028171 /nfs/dbraw/zinc/02/81/71/569028171.db2.gz FGJLJGIKJSCCTJ-FQEVSTJZSA-N 0 0 408.527 5.327 50 0 HKAARN CC(C)C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 ZINC000575443072 568935664 /nfs/dbraw/zinc/93/56/64/568935664.db2.gz GJLLYKUCXPQLIK-DHIUTWEWSA-N 0 0 406.574 5.445 50 0 HKAARN CC(C)C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 ZINC000575443086 569028233 /nfs/dbraw/zinc/02/82/33/569028233.db2.gz GJLLYKUCXPQLIK-GOTSBHOMSA-N 0 0 406.574 5.445 50 0 HKAARN COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccs2)n1 ZINC000575443087 569028265 /nfs/dbraw/zinc/02/82/65/569028265.db2.gz OMSROFKPDWTBBK-UHFFFAOYSA-N 0 0 420.494 5.138 50 0 HKAARN CC(C)C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 ZINC000575443089 569028292 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CCOc1ccc(Nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2)cc1 ZINC000575473276 558944872 /nfs/dbraw/zinc/94/48/72/558944872.db2.gz QAUVKERYTKFJOP-QGZVFWFLSA-N 0 0 402.542 6.292 50 0 HKAARN COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c1 ZINC000575605533 569032055 /nfs/dbraw/zinc/03/20/55/569032055.db2.gz BCFOQEIEHJBGFU-UHFFFAOYSA-N 0 0 424.460 5.381 50 0 HKAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)cc1 ZINC000575608471 569032217 /nfs/dbraw/zinc/03/22/17/569032217.db2.gz UXMRAHHNXRZRGV-GYHWCHFESA-N 0 0 409.894 5.460 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000575608819 569032273 /nfs/dbraw/zinc/03/22/73/569032273.db2.gz ZGSMSSWQHHTCTD-UHFFFAOYSA-N 0 0 401.253 5.499 50 0 HKAARN O=C(NCc1cccc2ccccc21)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575611307 569032448 /nfs/dbraw/zinc/03/24/48/569032448.db2.gz UQAGXNXPUUHYQW-HSZRJFAPSA-N 0 0 402.519 5.101 50 0 HKAARN O=C(NCc1cccc2ccccc21)NC[C@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575611314 569032406 /nfs/dbraw/zinc/03/24/06/569032406.db2.gz UQAGXNXPUUHYQW-QHCPKHFHSA-N 0 0 402.519 5.101 50 0 HKAARN Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1cccs1 ZINC000575612399 569032538 /nfs/dbraw/zinc/03/25/38/569032538.db2.gz DKGCVYBCQPCLRU-UHFFFAOYSA-N 0 0 408.449 5.069 50 0 HKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@H](Oc2ccncc2Cl)C1 ZINC000575614122 568936323 /nfs/dbraw/zinc/93/63/23/568936323.db2.gz WYISWVVTKWUCKH-INIZCTEOSA-N 0 0 420.896 5.043 50 0 HKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@@H](Oc2ccncc2Cl)C1 ZINC000575614129 569032751 /nfs/dbraw/zinc/03/27/51/569032751.db2.gz WYISWVVTKWUCKH-MRXNPFEDSA-N 0 0 420.896 5.043 50 0 HKAARN Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccsc1 ZINC000575614677 569035961 /nfs/dbraw/zinc/03/59/61/569035961.db2.gz APARAIZTZRLMSG-UHFFFAOYSA-N 0 0 408.449 5.069 50 0 HKAARN O=C(Cc1cccc2ccccc21)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000575615084 569036045 /nfs/dbraw/zinc/03/60/45/569036045.db2.gz MGWDDSVBAXSJGI-UHFFFAOYSA-N 0 0 424.548 5.112 50 0 HKAARN CC(C)(C)c1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3)C2=O)cc1 ZINC000575616647 569036815 /nfs/dbraw/zinc/03/68/15/569036815.db2.gz VTVYQPIJGQWLFO-UHFFFAOYSA-N 0 0 420.534 5.320 50 0 HKAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000575617910 568936229 /nfs/dbraw/zinc/93/62/29/568936229.db2.gz SMFCRSVBUPIWJO-FQEVSTJZSA-N 0 0 415.468 5.363 50 0 HKAARN Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000575617913 568936261 /nfs/dbraw/zinc/93/62/61/568936261.db2.gz SMFCRSVBUPIWJO-HXUWFJFHSA-N 0 0 415.468 5.363 50 0 HKAARN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575618067 569037602 /nfs/dbraw/zinc/03/76/02/569037602.db2.gz YRDXPWXXUWRPNT-UHFFFAOYSA-N 0 0 423.891 5.144 50 0 HKAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1OC(F)(F)F ZINC000575619277 569038587 /nfs/dbraw/zinc/03/85/87/569038587.db2.gz JITULDUUHJOPCN-UHFFFAOYSA-N 0 0 401.388 5.037 50 0 HKAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000575619289 569038604 /nfs/dbraw/zinc/03/86/04/569038604.db2.gz JLNJNWJFSYMTOK-UHFFFAOYSA-N 0 0 400.404 5.549 50 0 HKAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000575619407 569038820 /nfs/dbraw/zinc/03/88/20/569038820.db2.gz FMYKUVVIXUMIMB-UHFFFAOYSA-N 0 0 414.305 5.309 50 0 HKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575620213 569038807 /nfs/dbraw/zinc/03/88/07/569038807.db2.gz OUAGDEOBHRVCRR-UHFFFAOYSA-N 0 0 420.563 5.632 50 0 HKAARN COc1ccc(Br)c(C(=O)N[C@H](C)Cc2csc3ccccc23)c1 ZINC000575621735 569038992 /nfs/dbraw/zinc/03/89/92/569038992.db2.gz SEDJRIBPDOYAOF-GFCCVEGCSA-N 0 0 404.329 5.033 50 0 HKAARN COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2csc3ccccc23)c1 ZINC000575621736 569038967 /nfs/dbraw/zinc/03/89/67/569038967.db2.gz SEDJRIBPDOYAOF-LBPRGKRZSA-N 0 0 404.329 5.033 50 0 HKAARN CCOc1ccc(-c2n[nH]cc2-c2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000583648296 560778921 /nfs/dbraw/zinc/77/89/21/560778921.db2.gz PAARSFHBILIYOQ-UHFFFAOYSA-N 0 0 401.253 5.499 50 0 HKAARN CC(C)(C)[C@]1(O)C=C(c2ccccc2)C[C@H](c2ccco2)[C@H]1C(=O)c1ccccc1 ZINC000584904332 569029742 /nfs/dbraw/zinc/02/97/42/569029742.db2.gz ZSIGNJWJTLQIQM-SHQBLQIYSA-N 0 0 400.518 6.127 50 0 HKAARN CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 ZINC000584906325 569029765 /nfs/dbraw/zinc/02/97/65/569029765.db2.gz ZWWFXFCDSOCYBC-AWEZNQCLSA-N 0 0 411.571 5.016 50 0 HKAARN CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 ZINC000584906326 569029749 /nfs/dbraw/zinc/02/97/49/569029749.db2.gz ZWWFXFCDSOCYBC-CQSZACIVSA-N 0 0 411.571 5.016 50 0 HKAARN CC(C)Sc1ccc(CC(=O)N2CCC(COCc3ccc(F)cc3)CC2)cc1 ZINC000585146661 569029877 /nfs/dbraw/zinc/02/98/77/569029877.db2.gz QTEYGEPMULMEJQ-UHFFFAOYSA-N 0 0 415.574 5.324 50 0 HKAARN O=C(NC[C@H](c1ccco1)c1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000585146666 569029914 /nfs/dbraw/zinc/02/99/14/569029914.db2.gz AOIISWDIUZQLJB-GOSISDBHSA-N 0 0 401.487 5.527 50 0 HKAARN O=C(NC[C@@H](c1ccco1)c1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000585146667 559057218 /nfs/dbraw/zinc/05/72/18/559057218.db2.gz AOIISWDIUZQLJB-SFHVURJKSA-N 0 0 401.487 5.527 50 0 HKAARN O=C(NC[C@@H](c1ccco1)c1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000585146772 569029833 /nfs/dbraw/zinc/02/98/33/569029833.db2.gz OIYUYAWCZVQSRT-FQEVSTJZSA-N 0 0 402.519 5.562 50 0 HKAARN O=C(NC[C@H](c1ccco1)c1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000585146773 569029844 /nfs/dbraw/zinc/02/98/44/569029844.db2.gz OIYUYAWCZVQSRT-HXUWFJFHSA-N 0 0 402.519 5.562 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146848 569029824 /nfs/dbraw/zinc/02/98/24/569029824.db2.gz ZWMUCFLJAIPXCE-HNNXBMFYSA-N 0 0 412.898 5.520 50 0 HKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146849 569029866 /nfs/dbraw/zinc/02/98/66/569029866.db2.gz ZWMUCFLJAIPXCE-OAHLLOKOSA-N 0 0 412.898 5.520 50 0 HKAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000585148121 569029845 /nfs/dbraw/zinc/02/98/45/569029845.db2.gz LNVRTLUQIYCIEZ-HSZRJFAPSA-N 0 0 412.489 5.069 50 0 HKAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000585148127 569029836 /nfs/dbraw/zinc/02/98/36/569029836.db2.gz LNVRTLUQIYCIEZ-QHCPKHFHSA-N 0 0 412.489 5.069 50 0 HKAARN O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000585149429 569029853 /nfs/dbraw/zinc/02/98/53/569029853.db2.gz ROAGTBSZMBRDKG-HSZRJFAPSA-N 0 0 407.535 5.225 50 0 HKAARN O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000585149430 569029841 /nfs/dbraw/zinc/02/98/41/569029841.db2.gz ROAGTBSZMBRDKG-QHCPKHFHSA-N 0 0 407.535 5.225 50 0 HKAARN O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(Oc2ccc(F)cc2)c1 ZINC000585149466 559060155 /nfs/dbraw/zinc/06/01/55/559060155.db2.gz VHOWZANSWKGQDE-JOCHJYFZSA-N 0 0 411.498 5.577 50 0 HKAARN O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc(Oc2ccc(F)cc2)c1 ZINC000585149467 569029834 /nfs/dbraw/zinc/02/98/34/569029834.db2.gz VHOWZANSWKGQDE-QFIPXVFZSA-N 0 0 411.498 5.577 50 0 HKAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1nc(-c2cccs2)cs1 ZINC000585150273 568743185 /nfs/dbraw/zinc/74/31/85/568743185.db2.gz IZVWHTYISNKBGF-UHFFFAOYSA-N 0 0 406.536 5.324 50 0 HKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000585150351 569029839 /nfs/dbraw/zinc/02/98/39/569029839.db2.gz LRISNUORLXTARK-UHFFFAOYSA-N 0 0 409.917 5.336 50 0 HKAARN CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000585152215 569029871 /nfs/dbraw/zinc/02/98/71/569029871.db2.gz BFPPYJZQHLENRD-INIZCTEOSA-N 0 0 404.297 5.561 50 0 HKAARN CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000585152216 569029832 /nfs/dbraw/zinc/02/98/32/569029832.db2.gz BFPPYJZQHLENRD-MRXNPFEDSA-N 0 0 404.297 5.561 50 0 HKAARN CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)sc1-c1ccccc1 ZINC000585152221 569029837 /nfs/dbraw/zinc/02/98/37/569029837.db2.gz BMBSQKRFBBLGOM-KRWDZBQOSA-N 0 0 424.635 6.837 50 0 HKAARN CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)sc1-c1ccccc1 ZINC000585152222 569029830 /nfs/dbraw/zinc/02/98/30/569029830.db2.gz BMBSQKRFBBLGOM-QGZVFWFLSA-N 0 0 424.635 6.837 50 0 HKAARN O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000585152231 569029858 /nfs/dbraw/zinc/02/98/58/569029858.db2.gz CYCNBJKGEAVCMA-UHFFFAOYSA-N 0 0 409.894 5.636 50 0 HKAARN CCc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)sc1-c1ccccc1 ZINC000585152256 569029923 /nfs/dbraw/zinc/02/99/23/569029923.db2.gz HIHOPTHYRMLGKS-UHFFFAOYSA-N 0 0 424.525 7.038 50 0 HKAARN Cc1ccccc1-c1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)no1 ZINC000585152346 569029930 /nfs/dbraw/zinc/02/99/30/569029930.db2.gz RUIAAYIGDIOKQT-FQEVSTJZSA-N 0 0 416.481 5.217 50 0 HKAARN Cc1ccccc1-c1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)no1 ZINC000585152347 569029927 /nfs/dbraw/zinc/02/99/27/569029927.db2.gz RUIAAYIGDIOKQT-HXUWFJFHSA-N 0 0 416.481 5.217 50 0 HKAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(CC)c(-c3ccccc3)s2)cc1 ZINC000585152355 559061499 /nfs/dbraw/zinc/06/14/99/559061499.db2.gz SKWHAOMBMAPWMV-UHFFFAOYSA-N 0 0 407.535 6.187 50 0 HKAARN CCc1cc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)sc1-c1ccccc1 ZINC000585152373 569029895 /nfs/dbraw/zinc/02/98/95/569029895.db2.gz VVTMERDCGOBLLD-UHFFFAOYSA-N 0 0 407.535 6.043 50 0 HKAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3/C=C/c3ccccc3)CC2=O)c(C)c1 ZINC000585655841 569389896 /nfs/dbraw/zinc/38/98/96/569389896.db2.gz JCEBEGICCQNTTE-FRFYRWIFSA-N 0 0 407.517 5.802 50 0 HKAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3/C=C/c3ccccc3)CC2=O)c(C)c1 ZINC000585655842 569389875 /nfs/dbraw/zinc/38/98/75/569389875.db2.gz JCEBEGICCQNTTE-JXVRESAISA-N 0 0 407.517 5.802 50 0 HKAARN Cc1ccc(OCCCn2c3ccccc3n(CCCOc3ccccc3)c2=N)cc1 ZINC000585655847 569030358 /nfs/dbraw/zinc/03/03/58/569030358.db2.gz RZSQFKZCTJVIOF-UHFFFAOYSA-N 0 0 415.537 5.169 50 0 HKAARN Cc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000585655881 569389844 /nfs/dbraw/zinc/38/98/44/569389844.db2.gz FDWAOUWBDJOHDS-UHFFFAOYSA-N 0 0 424.382 6.478 50 0 HKAARN Cc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)c1 ZINC000585655882 569389849 /nfs/dbraw/zinc/38/98/49/569389849.db2.gz KUKOEMQJQVZBOI-UHFFFAOYSA-N 0 0 424.382 6.478 50 0 HKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccccc1 ZINC000585655884 569389881 /nfs/dbraw/zinc/38/98/81/569389881.db2.gz NUNGDFSTYSVPRS-UHFFFAOYSA-N 0 0 410.355 6.169 50 0 HKAARN Cc1cc(NC(=S)NC(=O)c2ccccc2)cc2nc(-c3ccccc3C)oc21 ZINC000585655892 569389837 /nfs/dbraw/zinc/38/98/37/569389837.db2.gz GJUHDBBYBJMKKZ-UHFFFAOYSA-N 0 0 401.491 5.238 50 0 HKAARN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=S)NC(=O)c1ccccc1 ZINC000585655897 569389994 /nfs/dbraw/zinc/38/99/94/569389994.db2.gz JFKPAUWZHUTTCE-UHFFFAOYSA-N 0 0 404.579 5.590 50 0 HKAARN CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604404745 558886271 /nfs/dbraw/zinc/88/62/71/558886271.db2.gz JVNKYBGMILRJLN-HSZRJFAPSA-N 0 0 419.569 5.420 50 0 biogenic HKAARN CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604404747 558886284 /nfs/dbraw/zinc/88/62/84/558886284.db2.gz JVNKYBGMILRJLN-QHCPKHFHSA-N 0 0 419.569 5.420 50 0 biogenic HKAARN COc1ccc([C@H](NC(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)C(C)C)cc1OC ZINC000604405512 558886657 /nfs/dbraw/zinc/88/66/57/558886657.db2.gz PABBKQDMZDNDRK-NFBKMPQASA-N 0 0 421.541 5.259 50 0 biogenic HKAARN COc1ccc([C@H](NC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)C(C)C)cc1OC ZINC000604405513 558886625 /nfs/dbraw/zinc/88/66/25/558886625.db2.gz PABBKQDMZDNDRK-NZQKXSOJSA-N 0 0 421.541 5.259 50 0 biogenic HKAARN COc1ccc([C@@H](NC(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)C(C)C)cc1OC ZINC000604405514 558886636 /nfs/dbraw/zinc/88/66/36/558886636.db2.gz PABBKQDMZDNDRK-OFNKIYASSA-N 0 0 421.541 5.259 50 0 biogenic HKAARN COc1ccc([C@@H](NC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)C(C)C)cc1OC ZINC000604405515 558886649 /nfs/dbraw/zinc/88/66/49/558886649.db2.gz PABBKQDMZDNDRK-REWPJTCUSA-N 0 0 421.541 5.259 50 0 biogenic HKAARN COc1ccc([C@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000604418502 558887311 /nfs/dbraw/zinc/88/73/11/558887311.db2.gz FPZOAKSCSHFQDN-FCHUYYIVSA-N 0 0 406.530 5.205 50 0 HKAARN COc1ccc([C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000604418503 558887268 /nfs/dbraw/zinc/88/72/68/558887268.db2.gz FPZOAKSCSHFQDN-FGZHOGPDSA-N 0 0 406.530 5.205 50 0 HKAARN COc1ccc([C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000604418504 558887300 /nfs/dbraw/zinc/88/73/00/558887300.db2.gz FPZOAKSCSHFQDN-VXKWHMMOSA-N 0 0 406.530 5.205 50 0 HKAARN COc1ccc([C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000604418505 558887251 /nfs/dbraw/zinc/88/72/51/558887251.db2.gz FPZOAKSCSHFQDN-YADHBBJMSA-N 0 0 406.530 5.205 50 0 HKAARN O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 ZINC000604418680 558887344 /nfs/dbraw/zinc/88/73/44/558887344.db2.gz GIGITWAPIRIMHS-UHFFFAOYSA-N 0 0 419.447 5.013 50 0 HKAARN COc1ccc([C@@H](NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(C)C)cc1 ZINC000604419414 558887562 /nfs/dbraw/zinc/88/75/62/558887562.db2.gz MVTPPHBKMGDBOX-AVRDEDQJSA-N 0 0 423.582 5.591 50 0 HKAARN COc1ccc([C@@H](NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(C)C)cc1 ZINC000604419415 558887552 /nfs/dbraw/zinc/88/75/52/558887552.db2.gz MVTPPHBKMGDBOX-GCJKJVERSA-N 0 0 423.582 5.591 50 0 HKAARN COc1ccc([C@H](NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(C)C)cc1 ZINC000604419416 558887566 /nfs/dbraw/zinc/88/75/66/558887566.db2.gz MVTPPHBKMGDBOX-PGRDOPGGSA-N 0 0 423.582 5.591 50 0 HKAARN COc1ccc([C@H](NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(C)C)cc1 ZINC000604419417 558887533 /nfs/dbraw/zinc/88/75/33/558887533.db2.gz MVTPPHBKMGDBOX-XMSQKQJNSA-N 0 0 423.582 5.591 50 0 HKAARN O=S(=O)(c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000606422218 559066008 /nfs/dbraw/zinc/06/60/08/559066008.db2.gz ALSGVBJJWMLYOJ-UHFFFAOYSA-N 0 0 416.930 5.227 50 0 HKAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(N)s2)cc1C ZINC000606422225 571310779 /nfs/dbraw/zinc/31/07/79/571310779.db2.gz BBSPTLQBUGYCEU-UHFFFAOYSA-N 0 0 405.527 5.127 50 0 HKAARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccccc2)c1 ZINC000606422232 559065732 /nfs/dbraw/zinc/06/57/32/559065732.db2.gz CGDFTPPJKCNVDQ-UHFFFAOYSA-N 0 0 411.505 5.258 50 0 HKAARN COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000606422293 559065736 /nfs/dbraw/zinc/06/57/36/559065736.db2.gz HDXHITKLRVCEHN-UHFFFAOYSA-N 0 0 410.395 6.144 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)on2)cc1 ZINC000606422342 559065701 /nfs/dbraw/zinc/06/57/01/559065701.db2.gz OOECSEIYGNSAHI-UHFFFAOYSA-N 0 0 405.457 6.118 50 0 HKAARN CC1CCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)CC1 ZINC000606422348 559065703 /nfs/dbraw/zinc/06/57/03/559065703.db2.gz OVMZHLUBPZSRAZ-UHFFFAOYSA-N 0 0 416.930 5.083 50 0 HKAARN O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn21)C12CC3CC(CC(C3)C1)C2 ZINC000606422364 559065731 /nfs/dbraw/zinc/06/57/31/559065731.db2.gz QDLHNQAEMNVOIT-UHFFFAOYSA-N 0 0 405.929 5.810 50 0 HKAARN C[C@H]1CCCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)C1 ZINC000606422393 568590537 /nfs/dbraw/zinc/59/05/37/568590537.db2.gz WNABTSMSHPNXHH-HNNXBMFYSA-N 0 0 416.930 5.083 50 0 HKAARN C[C@@H]1CCCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)C1 ZINC000606422394 559065685 /nfs/dbraw/zinc/06/56/85/559065685.db2.gz WNABTSMSHPNXHH-OAHLLOKOSA-N 0 0 416.930 5.083 50 0 HKAARN C[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000606422396 559065848 /nfs/dbraw/zinc/06/58/48/559065848.db2.gz WUFRRTRSJFUHRU-HNNXBMFYSA-N 0 0 416.930 5.225 50 0 HKAARN C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000606422397 559065799 /nfs/dbraw/zinc/06/57/99/559065799.db2.gz WUFRRTRSJFUHRU-OAHLLOKOSA-N 0 0 416.930 5.225 50 0 HKAARN CC1(C)[C@H](C(=O)Nc2c(-c3ccccc3)nc3ccccn32)[C@H]1C=C(Cl)Cl ZINC000606422399 559065852 /nfs/dbraw/zinc/06/58/52/559065852.db2.gz WVBGXQZATPUJKA-PBHICJAKSA-N 0 0 400.309 5.531 50 0 HKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000606422400 559065794 /nfs/dbraw/zinc/06/57/94/559065794.db2.gz WVBGXQZATPUJKA-RHSMWYFYSA-N 0 0 400.309 5.531 50 0 HKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000606422401 559065839 /nfs/dbraw/zinc/06/58/39/559065839.db2.gz WVBGXQZATPUJKA-WMLDXEAASA-N 0 0 400.309 5.531 50 0 HKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000606422402 559065850 /nfs/dbraw/zinc/06/58/50/559065850.db2.gz WVBGXQZATPUJKA-YOEHRIQHSA-N 0 0 400.309 5.531 50 0 HKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000606422439 559065812 /nfs/dbraw/zinc/06/58/12/559065812.db2.gz HKVZBSXIRDLEJO-UHFFFAOYSA-N 0 0 405.860 5.262 50 0 HKAARN O=C(/C=C/c1ccc(Cl)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000606422480 559065854 /nfs/dbraw/zinc/06/58/54/559065854.db2.gz UMLBYQHRIHNSCB-DTQAZKPQSA-N 0 0 413.908 5.522 50 0 HKAARN Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)on2)cc1 ZINC000606422487 559065790 /nfs/dbraw/zinc/06/57/90/559065790.db2.gz VRHAENYTYMNEQD-UHFFFAOYSA-N 0 0 424.254 5.320 50 0 HKAARN CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000668370652 569030443 /nfs/dbraw/zinc/03/04/43/569030443.db2.gz XRNVABDYQLHODA-JCNLHEQBSA-N 0 0 418.463 5.157 50 0 HKAARN O=C(c1ccc(Cl)cc1)N1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000670416567 568774642 /nfs/dbraw/zinc/77/46/42/568774642.db2.gz POVKZPVFPASLRB-VGOFMYFVSA-N 0 0 412.681 5.524 50 0 HKAARN CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000670417734 568784444 /nfs/dbraw/zinc/78/44/44/568784444.db2.gz WGOJWYZOMYXGEG-UHFFFAOYSA-N 0 0 413.304 6.514 50 0 HKAARN Cc1cc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc(Cl)c1F ZINC000670417793 568784820 /nfs/dbraw/zinc/78/48/20/568784820.db2.gz ANFYULJFXLRFQM-UHFFFAOYSA-N 0 0 423.915 6.056 50 0 HKAARN CCN1N=C(c2ccc(C)cc2)[C@@H]2C=C[C@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 ZINC000670417858 568784695 /nfs/dbraw/zinc/78/46/95/568784695.db2.gz XFZPBTQFWLBZNL-QPPBQGQZSA-N 0 0 422.528 5.465 50 0 HKAARN CCN1N=C(c2ccc(C)cc2)[C@H]2C=C[C@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 ZINC000670417859 568784790 /nfs/dbraw/zinc/78/47/90/568784790.db2.gz XFZPBTQFWLBZNL-URXFXBBRSA-N 0 0 422.528 5.465 50 0 HKAARN CCN1N=C(c2ccc(C)cc2)[C@H]2C=C[C@@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 ZINC000670417860 568784779 /nfs/dbraw/zinc/78/47/79/568784779.db2.gz XFZPBTQFWLBZNL-XUZZJYLKSA-N 0 0 422.528 5.465 50 0 HKAARN CCN1N=C(c2ccc(C)cc2)[C@@H]2C=C[C@@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 ZINC000670417861 568784771 /nfs/dbraw/zinc/78/47/71/568784771.db2.gz XFZPBTQFWLBZNL-ZJSXRUAMSA-N 0 0 422.528 5.465 50 0 HKAARN COc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(C)c2)cc1 ZINC000670428487 568856084 /nfs/dbraw/zinc/85/60/84/568856084.db2.gz PFOXZTKCZUMEHR-JOCHJYFZSA-N 0 0 424.338 6.192 50 0 HKAARN COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(C)c2)cc1 ZINC000670428488 568856097 /nfs/dbraw/zinc/85/60/97/568856097.db2.gz PFOXZTKCZUMEHR-QFIPXVFZSA-N 0 0 424.338 6.192 50 0 HKAARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C\C=C1c2ccccc2-c2ccccc21 ZINC000685944761 568722825 /nfs/dbraw/zinc/72/28/25/568722825.db2.gz VSMZGVGXHHDPCB-OLEFLFIHSA-N 0 0 401.553 7.523 50 0 HKAARN